| 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 | 51.8 | Low | 60.1 | Low | 212 Ų | 212 | 121 Ų | 121 | 100% | 1.044 | 64% | 0.636 | S | S | * | * | 0 | -44.2 | 0 | -127.8 | 167.4 | 75 | 0 | 0 | 114.1 | L3 | M1-L3 PolarHBondContact O-N 3.42Š| |||
| 2 | K | 53.1 | Low | 60 | Low | 195 Ų | 195 | 122.1 Ų | 122.1 | 85% | 0.848 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.2 | -32.6 | -179.7 | -76.2 | -178.2 | 175.3 | 179.3 | 0 | 115.4 | S6 | K2-S6 PolarHBondContact O-N 3.33Å |
| 3 | L | 53.1 | Low | 59.7 | Low | 143 Ų | 143 | 123.2 Ų | 123.2 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.1 | -35.9 | -178.3 | -150.1 | 81.2 | 0 | 0 | 0 | 113.3 | M1 L5 S6 V7 | M1-L3 PolarHBondContact O-N 3.42Å; L3-L5 VanDerWaalsContact C-N 3.34Å; L3-S6 PolarHBondContact O-N 3.24Å; L3-V7 WeakPolarHBondContact O-CG2 3.47Å; L3-V7 PolarHBondContact O-N 3.49Å |
| 4 | H | 55 | Low | 59.4 | Low | 144 Ų | 144 | 121.9 Ų | 121.9 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.5 | -32.8 | 177.5 | -72.3 | -54.8 | 0 | 0 | 0 | 112.3 | V7 C8 | H4-V7 PolarHBondContact O-N 3.41Å; H4-C8 WeakPolarHBondContact O-CB 3.37Å; H4-C8 PolarHBondContact O-N 3.44Å; H4-C8 PolarHBondContact O-SG 2.91Å; H4-C8 VanDerWaalsContact O-SG 3.33Å |
| 5 | L | 60.1 | Low | 59 | Low | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.5 | -40.8 | 176 | -146.6 | 79.9 | 0 | 0 | 0 | 111.3 | L3 C8 V9 | L3-L5 VanDerWaalsContact C-N 3.34Å; L5-C8 PolarHBondContact O-N 3Å; L5-V9 WeakPolarHBondContact O-CB 3.4Å; L5-V9 WeakPolarHBondContact O-CG2 3.2Å; L5-V9 PolarHBondContact O-N 3.41Å |
| 6 | S | 63.4 | Low | 58.6 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67 | -36.2 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 113.3 | K2 L3 L10 | K2-S6 PolarHBondContact O-N 3.33Å; L3-S6 PolarHBondContact O-N 3.24Å; S6-L10 WeakPolarHBondContact O-CB 3.48Å; S6-L10 WeakPolarHBondContact O-CD1 3.5Å; S6-L10 WeakPolarHBondContact O-CG 3.5Å; S6-L10 PolarHBondContact O-N 2.87Å |
| 7 | V | 67.9 | Low | 57.8 | Low | 76 Ų | 76 | 124.1 Ų | 124.1 | 46% | 0.461 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.7 | -40.4 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L3 H4 L10 L11 | L3-V7 WeakPolarHBondContact O-CG2 3.47Å; L3-V7 PolarHBondContact O-N 3.49Å; H4-V7 PolarHBondContact O-N 3.41Å; V7-L10 PolarHBondContact O-N 3.41Å; V7-L11 HydrophobicContact CG1-CD1 3.88Å; V7-L11 WeakPolarHBondContact O-CB 3.37Å; V7-L11 WeakPolarHBondContact O-CD1 3.45Å; V7-L11 WeakPolarHBondContact O-CG 3.36Å; V7-L11 PolarHBondContact O-N 2.92Å |
| 8 | C | 65.8 | Low | 57.2 | Low | 68 Ų | 68 | 122.2 Ų | 122.2 | 46% | 0.459 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.1 | -37.3 | 174.4 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | H4 L5 L11 L12 | H4-C8 WeakPolarHBondContact O-CB 3.37Å; H4-C8 PolarHBondContact O-N 3.44Å; H4-C8 PolarHBondContact O-SG 2.91Å; H4-C8 VanDerWaalsContact O-SG 3.33Å; L5-C8 PolarHBondContact O-N 3Å; C8-L11 PolarHBondContact O-N 2.87Å; C8-L12 VanDerWaalsContact O-CB 3.3Å; C8-L12 WeakPolarHBondContact O-CB 3.33Å; C8-L12 WeakPolarHBondContact O-CD1 3.4Å; C8-L12 WeakPolarHBondContact O-CG 3.26Å; C8-L12 PolarHBondContact O-N 3.4Å |
| 9 | V | 67.7 | Low | 57 | Low | 72 Ų | 72 | 120.2 Ų | 120.2 | 44% | 0.436 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69 | -38.2 | 174.5 | 171 | 0 | 0 | 0 | 0 | 111.4 | L5 L12 L13 | L5-V9 WeakPolarHBondContact O-CB 3.4Å; L5-V9 WeakPolarHBondContact O-CG2 3.2Å; L5-V9 PolarHBondContact O-N 3.41Å; V9-L12 PolarHBondContact O-N 3.37Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.32Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 2.82Å |
| 10 | L | 62.9 | Low | 57.5 | Low | 109 Ų | 109 | 122.4 Ų | 122.4 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 171.8 | -83.7 | 158.8 | 0 | 0 | 0 | 111.9 | S6 V7 L13 C14 | S6-L10 WeakPolarHBondContact O-CB 3.48Å; S6-L10 WeakPolarHBondContact O-CD1 3.5Å; S6-L10 WeakPolarHBondContact O-CG 3.5Å; S6-L10 PolarHBondContact O-N 2.87Å; V7-L10 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.82Å; L10-C14 VanDerWaalsContact O-CB 3.31Å; L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 2.83Å; L10-C14 PolarHBondContact O-SG 3.38Å |
| 11 | L | 60.9 | Low | 58.9 | Low | 115 Ų | 115 | 117.6 Ų | 117.6 | 60% | 0.602 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69 | -31.6 | 173.8 | -78.9 | 161.4 | 0 | 0 | 0 | 113 | V7 C8 C14 G15 | V7-L11 HydrophobicContact CG1-CD1 3.88Å; V7-L11 WeakPolarHBondContact O-CB 3.37Å; V7-L11 WeakPolarHBondContact O-CD1 3.45Å; V7-L11 WeakPolarHBondContact O-CG 3.36Å; V7-L11 PolarHBondContact O-N 2.92Å; C8-L11 PolarHBondContact O-N 2.87Å; L11-C14 CarbonylContact O-C 3.49Å; L11-G15 WeakPolarHBondContact O-CA 3.31Å; L11-G15 PolarHBondContact O-N 3.19Å |
| 12 | L | 57.9 | Low | 60.9 | Low | 134 Ų | 134 | 108 Ų | 108 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76 | -31.9 | 172.8 | -81 | 158.2 | 0 | 0 | 0 | 112.3 | C8 V9 G15 | C8-L12 VanDerWaalsContact O-CB 3.3Å; C8-L12 WeakPolarHBondContact O-CB 3.33Å; C8-L12 WeakPolarHBondContact O-CD1 3.4Å; C8-L12 WeakPolarHBondContact O-CG 3.26Å; C8-L12 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.37Å; L12-G15 PolarHBondContact O-N 3.22Å |
| 13 | L | 56.5 | Low | 63.1 | Low | 137 Ų | 137 | 101.9 Ų | 101.9 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.8 | -24.7 | 171.1 | -73.5 | 166.3 | 0 | 0 | 0 | 112.4 | V9 L10 G15 | V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.32Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 2.82Å; L10-L13 PolarHBondContact O-N 2.82Å; L13-G15 VanDerWaalsContact C-N 3.31Å |
| 14 | C | 56 | Low | 65.2 | Low | 105 Ų | 105 | 95.1 Ų | 95.1 | 71% | 0.709 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -82.9 | -11 | 164.9 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | L10 L11 | L10-C14 VanDerWaalsContact O-CB 3.31Å; L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 2.83Å; L10-C14 PolarHBondContact O-SG 3.38Å; L11-C14 CarbonylContact O-C 3.49Å |
| 15 | G | 53.7 | Low | 67.3 | Low | 33 Ų | 33 | 88.2 Ų | 88.2 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 117.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L11 L12 L13 | L11-G15 WeakPolarHBondContact O-CA 3.31Å; L11-G15 PolarHBondContact O-N 3.19Å; L12-G15 PolarHBondContact O-N 3.22Å; L13-G15 VanDerWaalsContact C-N 3.31Å |
| 16 | T | 52.1 | Low | 69.1 | Low | 123 Ų | 123 | 82.2 Ų | 82.2 | 76% | 0.755 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 60.9 | 172.9 | 77.6 | 0 | 0 | 0 | 0 | 116.3 | S18 | T16-S18 PolarHBondContact O-N 3.12Å; T16-S18 VanDerWaalsContact O-N 3.12Å |
| 17 | R | 44.5 | Very low | 70.8 | Confident | 246 Ų | 246 | 78.9 Ų | 78.9 | 93% | 0.928 | 45% | 0.447 | S | S | * | . | -68.6 | 89.3 | 119.2 | -85.8 | -170.6 | -179 | -177.9 | 1.5 | 104.5 | S19 | R17-S19 PolarHBondContact O-N 2.83Š| |||
| 18 | S | 47.4 | Very low | 72.1 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 63% | 0.629 | 43% | 0.426 | S | S | * | . | trans | -51.6 | 104.2 | 159.7 | -65.5 | 0 | 0 | 0 | 0 | 104.3 | T16 N20 | T16-S18 PolarHBondContact O-N 3.12Å; T16-S18 VanDerWaalsContact O-N 3.12Å; S18-N20 PolarHBondContact O-N 2.81Å | ||
| 19 | S | 52.8 | Low | 73.4 | Confident | 85 Ų | 85 | 72 Ų | 72 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | trans | -62.7 | 102.8 | 169.1 | 60.1 | 0 | 0 | 0 | 0 | 103.3 | R17 G21 | R17-S19 PolarHBondContact O-N 2.83Å; S19-G21 PolarHBondContact O-N 3.07Å | ||
| 20 | N | 67.4 | Low | 74.5 | Confident | 164 Ų | 164 | 69.4 Ų | 69.4 | 88% | 0.877 | 39% | 0.387 | S | S | * | . | trans | -75.3 | 63.5 | 178.6 | -142.3 | 28.3 | 0 | 0 | 0 | 106.8 | S18 G22 | S18-N20 PolarHBondContact O-N 2.81Å; N20-G22 PolarHBondContact O-N 2.93Å | ||
| 21 | G | 86.2 | Confident | 75.7 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 117.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S19 G48 | S19-G21 PolarHBondContact O-N 3.07Å; G21-G48 WeakPolarHBondContact CA-O 3.5Å |
| 22 | G | 95.4 | Very high | 77 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 157.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N20 H49 Q50 D145 | N20-G22 PolarHBondContact O-N 2.93Å; G22-H49 PolarHBondContact N-ND1 3.22Å; G22-H49 WeakPolarHBondContact O-CA 3.46Å; G22-H49 WeakPolarHBondContact O-CB 3.47Å; G22-H49 PolarHBondContact O-ND1 3.49Å; G22-Q50 PolarHBondContact O-N 3.06Å; G22-Q50 VanDerWaalsContact O-N 3.07Å; G22-D145 WeakPolarHBondContact CA-OD2 2.92Å |
| 23 | K | 97.6 | Very high | 78.7 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.8 | 173.3 | -70.5 | 176.4 | 170.2 | -174.4 | 0 | 109.8 | Q50 G142 N143 Y144 D145 | K23-Q50 CarbonylContact C-O 3.54Å; K23-Q50 WeakPolarHBondContact CA-O 3.49Å; K23-Q50 HydrophobicContact CG-CB 4.16Å; K23-G142 WeakPolarHBondContact CD-O 3.21Å; K23-G142 PolarHBondContact NZ-O 2.99Å; K23-N143 WeakPolarHBondContact CD-O 3.4Å; K23-Y144 HydrophobicContact CB-CD1 4.05Å; K23-D145 PolarHBondContact N-OD2 3.28Å; K23-D145 PolarHBondContact O-N 3.33Å |
| 24 | I | 98.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.9 | -171.7 | -56.9 | 174.7 | 0 | 0 | 0 | 108.2 | V26 L44 H49 Q50 V51 T52 V146 F148 I463 M467 | I24-V26 HydrophobicContact CG2-CG2 4.1Å; I24-L44 HydrophobicContact CD1-CB 4.15Å; I24-L44 HydrophobicContact CD1-CD1 3.72Å; I24-L44 HydrophobicContact CD1-CD2 3.63Å; I24-L44 HydrophobicContact CD1-CG 4.04Å; I24-H49 HydrophobicContact CD1-CB 3.81Å; I24-H49 HydrophobicContact CG1-CB 4.5Å; I24-Q50 PolarHBondContact N-O 2.91Å; I24-V51 HydrophobicContact CB-CG2 4.39Å; I24-V51 HydrophobicContact CD1-CG2 4.43Å; I24-T52 PolarHBondContact O-N 3.07Å; I24-V146 HydrophobicContact CB-CG1 4.34Å; I24-V146 HydrophobicContact CG1-CG1 3.91Å; I24-V146 HydrophobicContact CG2-CG1 4.1Å; I24-F148 HydrophobicContact CG2-CB 4.19Å; I24-I463 HydrophobicContact CD1-CG2 4.18Å; I24-M467 HydrophobicContact CD1-CE 4.14Å; I24-M467 HydrophobicContact CD1-SD 4.23Å; I24-M467 HydrophobicContact CG1-CE 4.46Å; I24-M467 HydrophobicContact CG1-SD 3.9Å |
| 25 | L | 98.7 | Very high | 82 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.8 | 169.6 | -178.9 | 59.5 | 0 | 0 | 0 | 108.9 | L54 L139 Y144 V146 L147 F148 L163 | L25-L54 HydrophobicContact CD1-CD2 4.29Å; L25-L54 HydrophobicContact CD1-CG 4.08Å; L25-L139 HydrophobicContact CD1-CD2 3.95Å; L25-L139 HydrophobicContact CD2-CD2 4.16Å; L25-Y144 HydrophobicContact CB-CD1 3.72Å; L25-Y144 HydrophobicContact CB-CD2 3.98Å; L25-Y144 HydrophobicContact CB-CE1 4.05Å; L25-Y144 HydrophobicContact CB-CE2 4.28Å; L25-Y144 HydrophobicContact CB-CG 3.68Å; L25-Y144 HydrophobicContact CD1-CE1 4.32Å; L25-Y144 HydrophobicContact CD1-CE2 4.11Å; L25-Y144 HydrophobicContact CD2-CD2 4.08Å; L25-Y144 HydrophobicContact CD2-CE2 4.19Å; L25-Y144 HydrophobicContact CG-CD2 4.45Å; L25-Y144 HydrophobicContact CG-CE2 4.43Å; L25-V146 PolarHBondContact N-O 3.36Å; L25-L147 HydrophobicContact CD2-CD1 3.99Å; L25-L147 HydrophobicContact CD2-CG 4.46Å; L25-L147 HydrophobicContact CG-CD1 4.46Å; L25-L147 HydrophobicContact CG-CG 4.45Å; L25-L147 CarbonylContact O-C 3.56Å; L25-L147 WeakPolarHBondContact O-CA 3.15Å; L25-F148 PolarHBondContact O-N 3.42Å; L25-L163 HydrophobicContact CD2-CD1 3.72Å |
| 26 | V | 98.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.9 | 179.4 | -174 | 0 | 0 | 0 | 0 | 109.6 | I24 M37 L41 V51 T52 V53 L54 F148 | I24-V26 HydrophobicContact CG2-CG2 4.1Å; V26-M37 HydrophobicContact CG1-CE 3.53Å; V26-L41 HydrophobicContact CG1-CD1 4.18Å; V26-L41 HydrophobicContact CG1-CD2 4.3Å; V26-L41 HydrophobicContact CG2-CD1 4.25Å; V26-L41 HydrophobicContact CG2-CD2 3.61Å; V26-V51 HydrophobicContact CG2-CG1 3.68Å; V26-T52 PolarHBondContact N-O 3.24Å; V26-V53 HydrophobicContact CB-CB 4.29Å; V26-V53 HydrophobicContact CB-CG1 4.23Å; V26-V53 HydrophobicContact CB-CG2 3.96Å; V26-V53 HydrophobicContact CG1-CG1 4.26Å; V26-V53 HydrophobicContact CG1-CG2 4.45Å; V26-V53 HydrophobicContact CG2-CG2 4.14Å; V26-L54 PolarHBondContact O-N 2.92Å; V26-F148 VanDerWaalsContact CA-O 3.29Å; V26-F148 WeakPolarHBondContact CA-O 3.47Å |
| 27 | W | 97.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -69.8 | 143.4 | 174.6 | -158.9 | -110.3 | 0 | 0 | 0 | 110.8 | L54 L126 V129 L147 F148 A149 P154 G155 T159 | W27-L54 HydrophobicContact CD2-CD1 4.47Å; W27-L54 HydrophobicContact CE3-CD1 3.62Å; W27-L54 HydrophobicContact CH2-CD1 4.5Å; W27-L54 HydrophobicContact CZ3-CD1 3.63Å; W27-L126 HydrophobicContact CH2-CD1 4.08Å; W27-L126 HydrophobicContact CZ2-CD1 3.98Å; W27-V129 HydrophobicContact CH2-CB 4.07Å; W27-V129 HydrophobicContact CH2-CG1 3.82Å; W27-V129 HydrophobicContact CH2-CG2 4.18Å; W27-V129 HydrophobicContact CZ3-CG1 3.95Å; W27-L147 HydrophobicContact CB-CD2 4.29Å; W27-F148 PolarHBondContact N-O 3.4Å; W27-A149 HydrophobicContact CB-CB 3.57Å; W27-A149 HydrophobicContact CG-CB 4.35Å; W27-P154 WeakPolarHBondContact CZ2-O 3.44Å; W27-P154 PolarHBondContact NE1-O 2.92Å; W27-G155 VanDerWaalsContact CZ2-C 3.44Å; W27-T159 VanDerWaalsContact CH2-OG1 3.25Å; W27-T159 WeakPolarHBondContact CH2-OG1 3.46Å; W27-T159 HydrophobicContact CZ3-CG2 3.93Å; W27-T159 VanDerWaalsContact CZ3-OG1 3.24Å; W27-T159 WeakPolarHBondContact CZ3-OG1 3.08Å | ||
| 28 | Y | 95 | Very high | 88 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -67 | 154 | -179 | 66.7 | -87.9 | 0 | 0 | 0 | 111.5 | L54 P56 F75 F125 V129 Y153 | Y28-L54 WeakPolarHBondContact CB-O 3.29Å; Y28-L54 HydrophobicContact CD1-CB 4.34Å; Y28-P56 HydrophobicContact CD2-CG 4.1Å; Y28-P56 HydrophobicContact CG-CG 4.45Å; Y28-F75 AromaticContact CD1-CE1 3.59Å; Y28-F75 HydrophobicContact CD1-CE1 3.59Å; Y28-F75 AromaticContact CD1-CZ 3.46Å; Y28-F75 HydrophobicContact CD1-CZ 3.46Å; Y28-F75 VanDerWaalsContact CD1-CZ 3.46Å; Y28-F75 HydrophobicContact CD2-CZ 4.42Å; Y28-F75 HydrophobicContact CE1-CE1 4.13Å; Y28-F75 HydrophobicContact CE1-CE2 4.46Å; Y28-F75 AromaticContact CE1-CZ 3.55Å; Y28-F75 HydrophobicContact CE1-CZ 3.55Å; Y28-F75 HydrophobicContact CE2-CZ 4.5Å; Y28-F75 HydrophobicContact CG-CE1 4.02Å; Y28-F75 AromaticContact CG-CZ 3.95Å; Y28-F75 HydrophobicContact CG-CZ 3.95Å; Y28-F125 HydrophobicContact CD2-CD1 4.31Å; Y28-F125 HydrophobicContact CE2-CB 4.34Å; Y28-F125 AromaticContact CE2-CD1 3.61Å; Y28-F125 HydrophobicContact CE2-CD1 3.61Å; Y28-F125 HydrophobicContact CE2-CE1 4.42Å; Y28-F125 HydrophobicContact CE2-CG 4.44Å; Y28-F125 VanDerWaalsContact OH-CB 3.3Å; Y28-F125 WeakPolarHBondContact OH-CB 3.09Å; Y28-V129 HydrophobicContact CE1-CG2 4.44Å; Y28-Y153 AromaticContact CD2-CD2 3.85Å; Y28-Y153 HydrophobicContact CD2-CD2 3.85Å; Y28-Y153 HydrophobicContact CD2-CE2 4.42Å; Y28-Y153 HydrophobicContact CD2-CG 4.4Å; Y28-Y153 HydrophobicContact CE2-CD1 4.43Å; Y28-Y153 AromaticContact CE2-CD2 3.56Å; Y28-Y153 HydrophobicContact CE2-CD2 3.56Å; Y28-Y153 HydrophobicContact CE2-CE2 4.29Å; Y28-Y153 AromaticContact CE2-CG 3.66Å; Y28-Y153 HydrophobicContact CE2-CG 3.66Å | ||
| 29 | T | 94 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | trans | -158.6 | 179.9 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | H33 W34 M37 M62 I152 | T29-H33 HydrophobicContact CG2-CB 4.11Å; T29-H33 WeakPolarHBondContact OG1-CB 3.35Å; T29-W34 HydrophobicContact CG2-CB 3.92Å; T29-W34 HydrophobicContact CG2-CE3 4.14Å; T29-M37 HydrophobicContact CG2-SD 3.81Å; T29-M62 WeakPolarHBondContact O-CG 3.28Å; T29-I152 WeakPolarHBondContact OG1-CG2 3.38Å | ||
| 30 | E | 89.9 | Confident | 92.3 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | trans | -132.6 | 163.7 | -174.9 | -72.5 | -67.4 | 173 | 0 | 0 | 112.8 | S32 H33 W34 S59 M60 F61 Y153 | E30-S32 PolarHBondContact O-N 3.39Å; E30-H33 WeakPolarHBondContact O-CB 3.23Å; E30-H33 PolarHBondContact O-N 2.74Å; E30-H33 VanDerWaalsContact O-N 3.13Å; E30-W34 PolarHBondContact O-N 2.79Å; E30-S59 VanDerWaalsContact CD-OG 3.27Å; E30-S59 WeakPolarHBondContact OE1-CA 3.38Å; E30-S59 VanDerWaalsContact OE1-CB 3.26Å; E30-S59 WeakPolarHBondContact OE1-CB 3.27Å; E30-S59 PolarHBondContact OE1-OG 2.81Å; E30-S59 PolarHBondContact OE2-OG 3.22Å; E30-M60 PolarHBondContact OE1-N 2.79Å; E30-M60 PolarHBondContact OE2-N 3.39Å; E30-F61 HydrophobicContact CB-CD2 4.23Å; E30-F61 VanDerWaalsContact OE2-CB 3.31Å; E30-F61 WeakPolarHBondContact OE2-CB 3.45Å; E30-F61 VanDerWaalsContact OE2-CD2 3.32Å; E30-F61 WeakPolarHBondContact OE2-CD2 3.41Å; E30-F61 PolarHBondContact OE2-N 2.88Å; E30-Y153 HydrophobicContact CB-CE2 4.27Å; E30-Y153 HydrophobicContact CG-CE2 3.88Å | ||
| 31 | A | 88.7 | Confident | 93.7 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | 47.5 | -122.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115 | H33 W34 I35 F61 M311 | A31-H33 VanDerWaalsContact C-N 3.3Å; A31-H33 PolarHBondContact O-N 2.74Å; A31-W34 PolarHBondContact O-N 3.01Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3.28Å; A31-I35 VanDerWaalsContact O-N 3.09Å; A31-F61 HydrophobicContact CB-CD1 4.05Å; A31-F61 HydrophobicContact CB-CD2 3.68Å; A31-F61 HydrophobicContact CB-CE1 4.11Å; A31-F61 HydrophobicContact CB-CE2 3.76Å; A31-F61 HydrophobicContact CB-CG 3.84Å; A31-F61 HydrophobicContact CB-CZ 3.97Å; A31-M311 HydrophobicContact CB-CE 3.23Å; A31-M311 HydrophobicContact CB-CG 4.49Å |
| 32 | S | 87.9 | Confident | 94.1 | Very high | 39 Ų | 39 | 19.3 Ų | 19.3 | 27% | 0.273 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -67.9 | -26.9 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | E30 N36 N377 | E30-S32 PolarHBondContact O-N 3.39Å; S32-N36 VanDerWaalsContact O-CB 3.28Å; S32-N36 WeakPolarHBondContact O-CB 3.1Å; S32-N36 PolarHBondContact O-N 2.73Å; S32-N377 PolarHBondContact O-ND2 3.29Å |
| 33 | H | 92.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 19.6 Ų | 19.6 | 22% | 0.222 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.1 | -44.4 | 175.4 | -65.8 | -118.8 | 0 | 0 | 0 | 109.5 | T29 E30 A31 N36 M37 D150 R258 | T29-H33 HydrophobicContact CG2-CB 4.11Å; T29-H33 WeakPolarHBondContact OG1-CB 3.35Å; E30-H33 WeakPolarHBondContact O-CB 3.23Å; E30-H33 PolarHBondContact O-N 2.74Å; E30-H33 VanDerWaalsContact O-N 3.13Å; A31-H33 VanDerWaalsContact C-N 3.3Å; A31-H33 PolarHBondContact O-N 2.74Å; H33-N36 PolarHBondContact O-N 2.61Å; H33-M37 WeakPolarHBondContact O-CG 3.42Å; H33-M37 PolarHBondContact O-N 3.47Å; H33-D150 IonicContact CE1-OD1 2.75Å; H33-D150 IonicContact CE1-OD2 2.91Å; H33-D150 IonicContact CG-OD1 3.58Å; H33-D150 IonicContact CG-OD2 3.91Å; H33-D150 IonicContact ND1-OD1 2.79Å; H33-D150 PolarHBondContact ND1-OD1 3.17Å; H33-D150 IonicContact ND1-OD2 3.65Å; H33-D150 PolarHBondContact ND1-OD2 3.33Å; H33-R258 PolarHBondContact ND1-NH2 3.04Å |
| 34 | W | 92.8 | Very high | 94 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 1% | 0.011 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 174.7 | -180 | -136 | 0 | 0 | 0 | 112.6 | T29 E30 A31 N36 M37 K38 L41 V53 M62 F70 Y72 | T29-W34 HydrophobicContact CG2-CB 3.92Å; T29-W34 HydrophobicContact CG2-CE3 4.14Å; E30-W34 PolarHBondContact O-N 2.79Å; A31-W34 PolarHBondContact O-N 3.01Å; W34-N36 PolarHBondContact O-N 3.02Å; W34-M37 PolarHBondContact O-N 2.87Å; W34-K38 HydrophobicContact CD2-CG 4.17Å; W34-K38 HydrophobicContact CH2-CG 4.14Å; W34-K38 HydrophobicContact CZ2-CD 4.26Å; W34-K38 VanDerWaalsContact CZ2-CE 3.48Å; W34-K38 HydrophobicContact CZ2-CG 3.8Å; W34-K38 PolarHBondContact O-N 3.12Å; W34-K38 VanDerWaalsContact O-N 3.11Å; W34-L41 HydrophobicContact CH2-CD1 3.84Å; W34-L41 HydrophobicContact CZ3-CD1 3.7Å; W34-V53 HydrophobicContact CH2-CB 4.43Å; W34-V53 HydrophobicContact CH2-CG1 3.72Å; W34-V53 HydrophobicContact CH2-CG2 4.15Å; W34-V53 HydrophobicContact CZ3-CG1 3.75Å; W34-M62 HydrophobicContact CD2-CE 3.79Å; W34-M62 HydrophobicContact CD2-CG 4.16Å; W34-M62 HydrophobicContact CE3-CE 3.78Å; W34-M62 HydrophobicContact CG-CG 3.95Å; W34-M62 HydrophobicContact CH2-CE 3.86Å; W34-M62 HydrophobicContact CZ2-CE 3.82Å; W34-M62 HydrophobicContact CZ3-CE 3.82Å; W34-F70 AromaticContact CH2-CE2 3.6Å; W34-F70 HydrophobicContact CH2-CE2 3.6Å; W34-F70 AromaticContact CH2-CZ 3.57Å; W34-F70 HydrophobicContact CH2-CZ 3.57Å; W34-F70 AromaticContact CZ2-CE2 3.88Å; W34-F70 HydrophobicContact CZ2-CE2 3.88Å; W34-F70 AromaticContact CZ2-CZ 3.73Å; W34-F70 HydrophobicContact CZ2-CZ 3.73Å; W34-Y72 HydrophobicContact CH2-CE1 4.12Å; W34-Y72 AromaticContact CZ2-CE1 3.76Å; W34-Y72 HydrophobicContact CZ2-CE1 3.76Å; W34-Y72 WeakPolarHBondContact CZ2-OH 3.43Å |
| 35 | I | 89.6 | Confident | 93.9 | Very high | 73 Ų | 73 | 17.7 Ų | 17.7 | 37% | 0.374 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -57.4 | -36.4 | 177 | -67.7 | 167.3 | 0 | 0 | 0 | 111.3 | A31 P39 | A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3.28Å; A31-I35 VanDerWaalsContact O-N 3.09Å; I35-P39 WeakPolarHBondContact O-CD 3.44Å |
| 36 | N | 91.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.3 | -34.4 | -178.8 | -176.5 | -89.2 | 0 | 0 | 0 | 112.9 | S32 H33 W34 P39 R258 I279 H280 N377 | S32-N36 VanDerWaalsContact O-CB 3.28Å; S32-N36 WeakPolarHBondContact O-CB 3.1Å; S32-N36 PolarHBondContact O-N 2.73Å; H33-N36 PolarHBondContact O-N 2.61Å; W34-N36 PolarHBondContact O-N 3.02Å; N36-P39 WeakPolarHBondContact O-CD 3.47Å; N36-R258 WeakPolarHBondContact OD1-CD 3.24Å; N36-I279 WeakPolarHBondContact ND2-CG1 3.16Å; N36-I279 WeakPolarHBondContact OD1-CD1 3.48Å; N36-I279 WeakPolarHBondContact OD1-CG1 3.3Å; N36-H280 PolarHBondContact ND2-ND1 3.02Å; N36-N377 PolarHBondContact ND2-OD1 3.33Å |
| 37 | M | 93.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.4 | -37.5 | 177.1 | -69.9 | -178.1 | 79.2 | 0 | 0 | 112.9 | V26 T29 H33 W34 V40 L41 F148 D150 | V26-M37 HydrophobicContact CG1-CE 3.53Å; T29-M37 HydrophobicContact CG2-SD 3.81Å; H33-M37 WeakPolarHBondContact O-CG 3.42Å; H33-M37 PolarHBondContact O-N 3.47Å; W34-M37 PolarHBondContact O-N 2.87Å; M37-V40 WeakPolarHBondContact O-CB 3.49Å; M37-V40 PolarHBondContact O-N 3.08Å; M37-L41 WeakPolarHBondContact O-CG 3.27Å; M37-L41 PolarHBondContact O-N 3.25Å; M37-L41 VanDerWaalsContact O-N 3.15Å; M37-F148 HydrophobicContact CE-CD1 3.44Å; M37-F148 VanDerWaalsContact CE-CD1 3.44Å; M37-F148 HydrophobicContact CE-CE1 3.31Å; M37-F148 HydrophobicContact CE-CG 4.14Å; M37-F148 HydrophobicContact CE-CZ 3.91Å; M37-F148 HydrophobicContact CG-CE1 4.38Å; M37-D150 HydrophobicContact SD-CB 3.68Å |
| 38 | K | 92.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -46 | -49.7 | -175.9 | -80.8 | -170 | -176.8 | -169.2 | 0 | 114.2 | W34 V40 L41 E42 E66 F70 | W34-K38 HydrophobicContact CD2-CG 4.17Å; W34-K38 HydrophobicContact CH2-CG 4.14Å; W34-K38 HydrophobicContact CZ2-CD 4.26Å; W34-K38 VanDerWaalsContact CZ2-CE 3.48Å; W34-K38 HydrophobicContact CZ2-CG 3.8Å; W34-K38 PolarHBondContact O-N 3.12Å; W34-K38 VanDerWaalsContact O-N 3.11Å; K38-V40 VanDerWaalsContact C-N 3.28Å; K38-V40 PolarHBondContact O-N 3.32Å; K38-L41 PolarHBondContact O-N 3.28Å; K38-L41 VanDerWaalsContact O-N 3.12Å; K38-E42 WeakPolarHBondContact O-CG 3.37Å; K38-E42 PolarHBondContact O-N 2.91Å; K38-E66 IonicContact NZ-OE2 3.27Å; K38-F70 HydrophobicContact CG-CZ 4.47Å |
| 39 | P | 93.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -34.5 | 179 | -27 | 35.2 | 0 | 0 | 0 | 114.7 | I35 N36 T43 H280 | I35-P39 WeakPolarHBondContact O-CD 3.44Å; N36-P39 WeakPolarHBondContact O-CD 3.47Å; P39-T43 PolarHBondContact O-N 3.35Å; P39-T43 PolarHBondContact O-OG1 2.81Å; P39-H280 HydrophobicContact CG-CB 4.32Å |
| 40 | V | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.6 | -45.3 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | M37 K38 T43 L44 F148 I279 A459 V460 I463 | M37-V40 WeakPolarHBondContact O-CB 3.49Å; M37-V40 PolarHBondContact O-N 3.08Å; K38-V40 VanDerWaalsContact C-N 3.28Å; K38-V40 PolarHBondContact O-N 3.32Å; V40-T43 PolarHBondContact O-N 3.3Å; V40-L44 HydrophobicContact CG1-CD1 4.14Å; V40-L44 WeakPolarHBondContact O-CG 3.48Å; V40-L44 PolarHBondContact O-N 3.22Å; V40-F148 HydrophobicContact CG1-CE1 4.2Å; V40-F148 HydrophobicContact CG1-CZ 4.4Å; V40-I279 HydrophobicContact CG2-CB 4.44Å; V40-I279 HydrophobicContact CG2-CD1 3.9Å; V40-A459 HydrophobicContact CG1-CB 4.38Å; V40-A459 HydrophobicContact CG2-CB 4.28Å; V40-V460 HydrophobicContact CG1-CG2 3.98Å; V40-I463 HydrophobicContact CG1-CD1 3.79Å |
| 41 | L | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 178.1 | -55.6 | -172.9 | 0 | 0 | 0 | 112.2 | V26 W34 M37 K38 T43 L44 V45 V51 V53 F70 F148 | V26-L41 HydrophobicContact CG1-CD1 4.18Å; V26-L41 HydrophobicContact CG1-CD2 4.3Å; V26-L41 HydrophobicContact CG2-CD1 4.25Å; V26-L41 HydrophobicContact CG2-CD2 3.61Å; W34-L41 HydrophobicContact CH2-CD1 3.84Å; W34-L41 HydrophobicContact CZ3-CD1 3.7Å; M37-L41 WeakPolarHBondContact O-CG 3.27Å; M37-L41 PolarHBondContact O-N 3.25Å; M37-L41 VanDerWaalsContact O-N 3.15Å; K38-L41 PolarHBondContact O-N 3.28Å; K38-L41 VanDerWaalsContact O-N 3.12Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 2.9Å; L41-L44 HydrophobicContact CD2-CD1 4.32Å; L41-L44 WeakPolarHBondContact O-CB 3.31Å; L41-L44 PolarHBondContact O-N 3.03Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 2.95Å; L41-V51 HydrophobicContact CB-CG1 4.34Å; L41-V51 HydrophobicContact CD1-CG1 4.37Å; L41-V51 HydrophobicContact CD2-CG1 4.12Å; L41-V51 HydrophobicContact CG-CG1 4.5Å; L41-V53 HydrophobicContact CD1-CG2 3.85Å; L41-F70 HydrophobicContact CB-CD1 4.1Å; L41-F70 HydrophobicContact CB-CE1 4.12Å; L41-F70 HydrophobicContact CD1-CE1 4.38Å; L41-F70 HydrophobicContact CD1-CZ 4.39Å; L41-F148 HydrophobicContact CD2-CD1 3.83Å; L41-F148 HydrophobicContact CD2-CE1 4.05Å |
| 42 | E | 94.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 175.6 | -72.7 | 172.6 | 174.2 | 0 | 0 | 111.5 | K38 V45 D46 | K38-E42 WeakPolarHBondContact O-CG 3.37Å; K38-E42 PolarHBondContact O-N 2.91Å; E42-V45 PolarHBondContact O-N 2.89Å; E42-D46 PolarHBondContact O-N 3.3Å |
| 43 | T | 95.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 33 Ų | 33 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.2 | -35.3 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | P39 V40 L41 V45 D46 R47 R456 V460 | P39-T43 PolarHBondContact O-N 3.35Å; P39-T43 PolarHBondContact O-OG1 2.81Å; V40-T43 PolarHBondContact O-N 3.3Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 2.9Å; T43-V45 VanDerWaalsContact C-N 3.33Å; T43-D46 WeakPolarHBondContact O-CB 3.27Å; T43-D46 PolarHBondContact O-N 3.01Å; T43-R47 WeakPolarHBondContact O-CG 3.45Å; T43-R47 PolarHBondContact O-N 3.36Å; T43-R456 WeakPolarHBondContact OG1-CD 3.49Å; T43-V460 HydrophobicContact CG2-CG2 3.84Å |
| 44 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 171.9 | -72.9 | 161.3 | 0 | 0 | 0 | 110.8 | I24 V40 L41 R47 G48 H49 V51 V460 I463 | I24-L44 HydrophobicContact CD1-CB 4.15Å; I24-L44 HydrophobicContact CD1-CD1 3.72Å; I24-L44 HydrophobicContact CD1-CD2 3.63Å; I24-L44 HydrophobicContact CD1-CG 4.04Å; V40-L44 HydrophobicContact CG1-CD1 4.14Å; V40-L44 WeakPolarHBondContact O-CG 3.48Å; V40-L44 PolarHBondContact O-N 3.22Å; L41-L44 HydrophobicContact CD2-CD1 4.32Å; L41-L44 WeakPolarHBondContact O-CB 3.31Å; L41-L44 PolarHBondContact O-N 3.03Å; L44-R47 CarbonylContact O-C 3.56Å; L44-R47 PolarHBondContact O-N 3.32Å; L44-R47 VanDerWaalsContact O-N 3.16Å; L44-G48 PolarHBondContact O-N 3.2Å; L44-H49 HydrophobicContact CB-CB 4.18Å; L44-H49 VanDerWaalsContact O-CB 3.31Å; L44-H49 WeakPolarHBondContact O-CB 3.45Å; L44-H49 PolarHBondContact O-CD2 3.05Å; L44-H49 VanDerWaalsContact O-CD2 3.24Å; L44-H49 PolarHBondContact O-N 3.16Å; L44-V51 HydrophobicContact CB-CG2 4.07Å; L44-V460 HydrophobicContact CD2-CG1 3.73Å; L44-V460 HydrophobicContact CD2-CG2 4.49Å; L44-V460 HydrophobicContact CG-CG1 4.3Å; L44-V460 HydrophobicContact CG-CG2 4.28Å; L44-I463 HydrophobicContact CD1-CD1 4.06Å; L44-I463 HydrophobicContact CD1-CG2 4.42Å; L44-I463 HydrophobicContact CD2-CG2 4.08Å |
| 45 | V | 96.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 17% | 0.17 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | L41 E42 T43 R47 G48 V51 R69 F70 | L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 2.95Å; E42-V45 PolarHBondContact O-N 2.89Å; T43-V45 VanDerWaalsContact C-N 3.33Å; V45-R47 PolarHBondContact O-N 3.12Å; V45-G48 PolarHBondContact O-N 3.24Å; V45-V51 HydrophobicContact CG2-CB 4.2Å; V45-V51 HydrophobicContact CG2-CG2 3.88Å; V45-R69 HydrophobicContact CG1-CB 4.11Å; V45-R69 WeakPolarHBondContact CG1-O 3.31Å; V45-F70 HydrophobicContact CG2-CB 4.14Å |
| 46 | D | 94.6 | Very high | 95.5 | Very high | 100 Ų | 100 | 27.5 Ų | 27.5 | 54% | 0.535 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.9 | -30.4 | 174.5 | -76 | -37.7 | 0 | 0 | 0 | 112.8 | E42 T43 G48 R69 | E42-D46 PolarHBondContact O-N 3.3Å; T43-D46 WeakPolarHBondContact O-CB 3.27Å; T43-D46 PolarHBondContact O-N 3.01Å; D46-G48 VanDerWaalsContact C-N 3.31Å; D46-R69 VanDerWaalsContact CG-NH1 3.3Å; D46-R69 IonicContact OD1-CZ 3.97Å; D46-R69 IonicContact OD1-NH1 3.76Å; D46-R69 PolarHBondContact OD1-NH1 3.41Å; D46-R69 IonicContact OD1-NH2 3.36Å; D46-R69 PolarHBondContact OD1-NH2 2.97Å; D46-R69 IonicContact OD2-NH1 3.1Å; D46-R69 PolarHBondContact OD2-NH1 2.88Å |
| 47 | R | 94.9 | Very high | 95.6 | Very high | 92 Ų | 92 | 30.5 Ų | 30.5 | 35% | 0.347 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 7.1 | 176.6 | -66 | -173.2 | -174.2 | -172.7 | 1.3 | 113.9 | T43 L44 V45 D457 E464 | T43-R47 WeakPolarHBondContact O-CG 3.45Å; T43-R47 PolarHBondContact O-N 3.36Å; L44-R47 CarbonylContact O-C 3.56Å; L44-R47 PolarHBondContact O-N 3.32Å; L44-R47 VanDerWaalsContact O-N 3.16Å; V45-R47 PolarHBondContact O-N 3.12Å; R47-D457 IonicContact CZ-OD1 2.66Å; R47-D457 IonicContact NH2-OD1 3.83Å; R47-D457 PolarHBondContact NH2-OD1 3.32Å; R47-E464 WeakPolarHBondContact CD-OE1 3.44Å; R47-E464 IonicContact CZ-OE1 3.96Å; R47-E464 IonicContact NE-OE1 3.79Å; R47-E464 IonicContact NH1-OE1 3.86Å; R47-E464 PolarHBondContact NH1-OE1 3.47Å; R47-E464 IonicContact NH1-OE2 3.04Å |
| 48 | G | 94.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 11.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G21 L44 V45 D46 | G21-G48 WeakPolarHBondContact CA-O 3.5Å; L44-G48 PolarHBondContact O-N 3.2Å; V45-G48 PolarHBondContact O-N 3.24Å; D46-G48 VanDerWaalsContact C-N 3.31Å |
| 49 | H | 97.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | trans | -77.2 | 147.2 | 175.8 | -63.3 | -71.1 | 0 | 0 | 0 | 112.3 | G22 I24 L44 E464 M467 | G22-H49 PolarHBondContact N-ND1 3.22Å; G22-H49 WeakPolarHBondContact O-CA 3.46Å; G22-H49 WeakPolarHBondContact O-CB 3.47Å; G22-H49 PolarHBondContact O-ND1 3.49Å; I24-H49 HydrophobicContact CD1-CB 3.81Å; I24-H49 HydrophobicContact CG1-CB 4.5Å; L44-H49 HydrophobicContact CB-CB 4.18Å; L44-H49 VanDerWaalsContact O-CB 3.31Å; L44-H49 WeakPolarHBondContact O-CB 3.45Å; L44-H49 PolarHBondContact O-CD2 3.05Å; L44-H49 VanDerWaalsContact O-CD2 3.24Å; L44-H49 PolarHBondContact O-N 3.16Å; H49-E464 IonicContact NE2-OE1 3.8Å; H49-M467 WeakPolarHBondContact CE1-CE 3.14Å | ||
| 50 | Q | 97 | Very high | 95.1 | Very high | 119 Ų | 119 | 30.8 Ų | 30.8 | 56% | 0.556 | 17% | 0.167 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.7 | 169.3 | -66.7 | 177.8 | 23.6 | 0 | 0 | 108.4 | G22 K23 I24 | G22-Q50 PolarHBondContact O-N 3.06Å; G22-Q50 VanDerWaalsContact O-N 3.07Å; K23-Q50 CarbonylContact C-O 3.54Å; K23-Q50 WeakPolarHBondContact CA-O 3.49Å; K23-Q50 HydrophobicContact CG-CB 4.16Å; I24-Q50 PolarHBondContact N-O 2.91Å |
| 51 | V | 97.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.5 | -178.1 | 178 | 0 | 0 | 0 | 0 | 108.9 | I24 V26 L41 L44 V45 V53 F70 Q71 | I24-V51 HydrophobicContact CB-CG2 4.39Å; I24-V51 HydrophobicContact CD1-CG2 4.43Å; V26-V51 HydrophobicContact CG2-CG1 3.68Å; L41-V51 HydrophobicContact CB-CG1 4.34Å; L41-V51 HydrophobicContact CD1-CG1 4.37Å; L41-V51 HydrophobicContact CD2-CG1 4.12Å; L41-V51 HydrophobicContact CG-CG1 4.5Å; L44-V51 HydrophobicContact CB-CG2 4.07Å; V45-V51 HydrophobicContact CG2-CB 4.2Å; V45-V51 HydrophobicContact CG2-CG2 3.88Å; V51-V53 HydrophobicContact CG1-CG2 3.94Å; V51-F70 HydrophobicContact CB-CB 3.69Å; V51-F70 HydrophobicContact CG1-CB 3.85Å; V51-F70 HydrophobicContact CG1-CG 4.32Å; V51-F70 WeakPolarHBondContact O-CB 3.37Å; V51-Q71 PolarHBondContact O-N 3.39Å |
| 52 | T | 97.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.6 | 173.4 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | I24 V26 Q71 E73 Y144 | I24-T52 PolarHBondContact O-N 3.07Å; V26-T52 PolarHBondContact N-O 3.24Å; T52-Q71 CarbonylContact C-O 3.58Å; T52-Q71 WeakPolarHBondContact CA-O 3.05Å; T52-E73 HydrophobicContact CG2-CB 3.65Å; T52-E73 HydrophobicContact CG2-CG 4.42Å; T52-Y144 WeakPolarHBondContact CG2-OH 3.29Å |
| 53 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | V26 W34 L41 V51 M62 F70 Q71 Y72 E73 | V26-V53 HydrophobicContact CB-CB 4.29Å; V26-V53 HydrophobicContact CB-CG1 4.23Å; V26-V53 HydrophobicContact CB-CG2 3.96Å; V26-V53 HydrophobicContact CG1-CG1 4.26Å; V26-V53 HydrophobicContact CG1-CG2 4.45Å; V26-V53 HydrophobicContact CG2-CG2 4.14Å; W34-V53 HydrophobicContact CH2-CB 4.43Å; W34-V53 HydrophobicContact CH2-CG1 3.72Å; W34-V53 HydrophobicContact CH2-CG2 4.15Å; W34-V53 HydrophobicContact CZ3-CG1 3.75Å; L41-V53 HydrophobicContact CD1-CG2 3.85Å; V51-V53 HydrophobicContact CG1-CG2 3.94Å; V53-M62 HydrophobicContact CG1-CE 3.59Å; V53-F70 HydrophobicContact CB-CD2 4.35Å; V53-F70 HydrophobicContact CB-CE2 4.47Å; V53-F70 HydrophobicContact CG2-CD2 3.46Å; V53-F70 VanDerWaalsContact CG2-CD2 3.46Å; V53-F70 HydrophobicContact CG2-CE2 3.74Å; V53-F70 HydrophobicContact CG2-CG 4.21Å; V53-Q71 PolarHBondContact N-O 3.24Å; V53-Y72 HydrophobicContact CB-CD1 4Å; V53-Y72 HydrophobicContact CB-CE1 4.36Å; V53-Y72 HydrophobicContact CG1-CD1 4.34Å; V53-Y72 HydrophobicContact CG1-CE1 4.41Å; V53-Y72 CarbonylContact O-C 3.49Å; V53-Y72 WeakPolarHBondContact O-CA 3.38Å; V53-E73 PolarHBondContact O-N 2.91Å |
| 54 | L | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 139.4 | 171.5 | -65.1 | -178.1 | 0 | 0 | 0 | 110.3 | L25 V26 W27 Y28 E73 F75 V129 M135 L139 | L25-L54 HydrophobicContact CD1-CD2 4.29Å; L25-L54 HydrophobicContact CD1-CG 4.08Å; V26-L54 PolarHBondContact O-N 2.92Å; W27-L54 HydrophobicContact CD2-CD1 4.47Å; W27-L54 HydrophobicContact CE3-CD1 3.62Å; W27-L54 HydrophobicContact CH2-CD1 4.5Å; W27-L54 HydrophobicContact CZ3-CD1 3.63Å; Y28-L54 WeakPolarHBondContact CB-O 3.29Å; Y28-L54 HydrophobicContact CD1-CB 4.34Å; L54-E73 WeakPolarHBondContact CA-O 3.35Å; L54-E73 HydrophobicContact CD2-CB 4.13Å; L54-E73 HydrophobicContact CD2-CG 4.11Å; L54-F75 HydrophobicContact CB-CD1 4.25Å; L54-F75 HydrophobicContact CB-CE1 4.03Å; L54-V129 HydrophobicContact CD1-CG1 4.27Å; L54-V129 HydrophobicContact CD1-CG2 4.38Å; L54-M135 HydrophobicContact CD2-SD 4.29Å; L54-L139 HydrophobicContact CD2-CD2 4.13Å |
| 55 | V | 95.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 120.8 | 176.5 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | M62 Y72 E73 P74 F75 | V55-M62 HydrophobicContact CG1-CB 3.93Å; V55-M62 HydrophobicContact CG1-SD 4.24Å; V55-M62 HydrophobicContact CG2-CE 3.76Å; V55-M62 HydrophobicContact CG2-SD 4.39Å; V55-Y72 HydrophobicContact CG2-CD1 3.23Å; V55-Y72 HydrophobicContact CG2-CE1 3.87Å; V55-Y72 HydrophobicContact CG2-CG 3.97Å; V55-E73 PolarHBondContact N-O 2.94Å; V55-P74 CarbonylContact O-C 3.48Å; V55-P74 WeakPolarHBondContact O-CA 3.36Å; V55-F75 VanDerWaalsContact C-CD1 3.49Å; V55-F75 VanDerWaalsContact O-CD1 3.29Å; V55-F75 WeakPolarHBondContact O-CD1 3.46Å; V55-F75 PolarHBondContact O-N 2.66Å |
| 56 | P | 94.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 141.4 | 174.2 | 25.5 | -29.6 | 0 | 0 | 0 | 110.1 | Y28 A58 S59 F75 V77 F125 | Y28-P56 HydrophobicContact CD2-CG 4.1Å; Y28-P56 HydrophobicContact CG-CG 4.45Å; P56-A58 PolarHBondContact O-N 2.79Å; P56-A58 VanDerWaalsContact O-N 3.09Å; P56-S59 WeakPolarHBondContact O-CB 3.45Å; P56-S59 PolarHBondContact O-N 3.05Å; P56-F75 HydrophobicContact CB-CE1 4.02Å; P56-F75 HydrophobicContact CB-CE2 3.92Å; P56-F75 HydrophobicContact CB-CZ 3.55Å; P56-F75 HydrophobicContact CG-CE1 4.46Å; P56-F75 HydrophobicContact CG-CZ 4.18Å; P56-F75 VanDerWaalsContact N-CE1 3.28Å; P56-V77 HydrophobicContact CB-CG1 4.07Å; P56-V77 HydrophobicContact CB-CG2 4.48Å; P56-F125 HydrophobicContact CB-CD1 3.7Å; P56-F125 HydrophobicContact CB-CE1 3.47Å; P56-F125 VanDerWaalsContact CB-CE1 3.47Å; P56-F125 HydrophobicContact CB-CZ 4.35Å; P56-F125 HydrophobicContact CG-CD1 3.94Å; P56-F125 HydrophobicContact CG-CE1 3.52Å |
| 57 | S | 92.3 | Very high | 90.6 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25 | 173.1 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | F75 V77 | S57-F75 PolarHBondContact N-O 3.01Å; S57-F75 PolarHBondContact OG-O 2.89Å; S57-V77 PolarHBondContact OG-N 3.06Å; S57-V77 VanDerWaalsContact OG-N 3.17Å |
| 58 | A | 91.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 24.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P56 V77 V79 V81 I84 F125 | P56-A58 PolarHBondContact O-N 2.79Å; P56-A58 VanDerWaalsContact O-N 3.09Å; A58-V77 HydrophobicContact CB-CG2 3.53Å; A58-V79 VanDerWaalsContact CB-O 3.24Å; A58-V79 WeakPolarHBondContact CB-O 3.41Å; A58-V81 HydrophobicContact CB-CG2 4.22Å; A58-I84 HydrophobicContact CB-CD1 3.58Å; A58-I84 WeakPolarHBondContact O-CD1 3.48Å; A58-F125 HydrophobicContact CB-CZ 4.33Å |
| 59 | S | 90.7 | Very high | 89.7 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | trans | -66.5 | 138.8 | 179.1 | -171.8 | 0 | 0 | 0 | 0 | 113.1 | E30 P56 M62 | E30-S59 VanDerWaalsContact CD-OG 3.27Å; E30-S59 WeakPolarHBondContact OE1-CA 3.38Å; E30-S59 VanDerWaalsContact OE1-CB 3.26Å; E30-S59 WeakPolarHBondContact OE1-CB 3.27Å; E30-S59 PolarHBondContact OE1-OG 2.81Å; E30-S59 PolarHBondContact OE2-OG 3.22Å; P56-S59 WeakPolarHBondContact O-CB 3.45Å; P56-S59 PolarHBondContact O-N 3.05Å; S59-M62 WeakPolarHBondContact OG-CB 3.28Å; S59-M62 WeakPolarHBondContact OG-CG 3.37Å; S59-M62 PolarHBondContact OG-N 3.21Å | ||
| 60 | M | 86.8 | Confident | 89.5 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 23% | 0.232 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -93.8 | -32.7 | 177.4 | -73.7 | 179.9 | 59.3 | 0 | 0 | 113.1 | E30 V81 I84 Q85 | E30-M60 PolarHBondContact OE1-N 2.79Å; E30-M60 PolarHBondContact OE2-N 3.39Å; M60-V81 HydrophobicContact CG-CG1 4.01Å; M60-I84 HydrophobicContact CG-CG2 4.22Å; M60-I84 HydrophobicContact SD-CB 3.93Å; M60-I84 HydrophobicContact SD-CG2 3.43Å; M60-I84 WeakPolarHBondContact SD-CG2 3.44Å; M60-Q85 HydrophobicContact CE-CB 4.31Å; M60-Q85 HydrophobicContact SD-CB 4.41Å |
| 61 | F | 85.8 | Confident | 89.4 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -121.5 | -13.9 | -172 | -59.4 | -91 | 0 | 0 | 0 | 113.5 | E30 A31 | E30-F61 HydrophobicContact CB-CD2 4.23Å; E30-F61 VanDerWaalsContact OE2-CB 3.31Å; E30-F61 WeakPolarHBondContact OE2-CB 3.45Å; E30-F61 VanDerWaalsContact OE2-CD2 3.32Å; E30-F61 WeakPolarHBondContact OE2-CD2 3.41Å; E30-F61 PolarHBondContact OE2-N 2.88Å; A31-F61 HydrophobicContact CB-CD1 4.05Å; A31-F61 HydrophobicContact CB-CD2 3.68Å; A31-F61 HydrophobicContact CB-CE1 4.11Å; A31-F61 HydrophobicContact CB-CE2 3.76Å; A31-F61 HydrophobicContact CB-CG 3.84Å; A31-F61 HydrophobicContact CB-CZ 3.97Å |
| 62 | M | 88.4 | Confident | 89.2 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | trans | -91.3 | 123.8 | 170.5 | -49.1 | -179.7 | 74.8 | 0 | 0 | 109.4 | T29 W34 V53 V55 S59 Y72 | T29-M62 WeakPolarHBondContact O-CG 3.28Å; W34-M62 HydrophobicContact CD2-CE 3.79Å; W34-M62 HydrophobicContact CD2-CG 4.16Å; W34-M62 HydrophobicContact CE3-CE 3.78Å; W34-M62 HydrophobicContact CG-CG 3.95Å; W34-M62 HydrophobicContact CH2-CE 3.86Å; W34-M62 HydrophobicContact CZ2-CE 3.82Å; W34-M62 HydrophobicContact CZ3-CE 3.82Å; V53-M62 HydrophobicContact CG1-CE 3.59Å; V55-M62 HydrophobicContact CG1-CB 3.93Å; V55-M62 HydrophobicContact CG1-SD 4.24Å; V55-M62 HydrophobicContact CG2-CE 3.76Å; V55-M62 HydrophobicContact CG2-SD 4.39Å; S59-M62 WeakPolarHBondContact OG-CB 3.28Å; S59-M62 WeakPolarHBondContact OG-CG 3.37Å; S59-M62 PolarHBondContact OG-N 3.21Å; M62-Y72 HydrophobicContact CE-CE1 4.22Å | ||
| 63 | N | 83 | Confident | 89.1 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -112.3 | 104.3 | 174.8 | -174.8 | -3 | 0 | 0 | 0 | 109.4 | S65 E66 | N63-S65 PolarHBondContact O-N 3.4Å; N63-S65 VanDerWaalsContact OD1-CB 3.28Å; N63-S65 WeakPolarHBondContact OD1-CB 3.2Å; N63-S65 PolarHBondContact OD1-N 2.93Å; N63-E66 HydrophobicContact CB-CG 3.84Å; N63-E66 WeakPolarHBondContact O-CB 3.37Å; N63-E66 PolarHBondContact O-N 3.44Å | ||
| 64 | S | 81.2 | Confident | 89 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.3 | 178.2 | 57 | 0 | 0 | 0 | 0 | 113.4 | ||
| 65 | S | 78.9 | Confident | 88.9 | Confident | 102 Ų | 102 | 53 Ų | 53 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11.4 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | N63 | N63-S65 PolarHBondContact O-N 3.4Å; N63-S65 VanDerWaalsContact OD1-CB 3.28Å; N63-S65 WeakPolarHBondContact OD1-CB 3.2Å; N63-S65 PolarHBondContact OD1-N 2.93Å |
| 66 | E | 77.1 | Confident | 88.8 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69.4 | 137.4 | 175.1 | -77.9 | 175 | -175.2 | 0 | 0 | 110.6 | K38 N63 S68 | K38-E66 IonicContact NZ-OE2 3.27Å; N63-E66 HydrophobicContact CB-CG 3.84Å; N63-E66 WeakPolarHBondContact O-CB 3.37Å; N63-E66 PolarHBondContact O-N 3.44Å; E66-S68 PolarHBondContact O-N 3.37Å |
| 67 | P | 81.3 | Confident | 88.7 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 92% | 0.916 | 33% | 0.333 | S | S | * | . | trans | -54 | 116.2 | 170.6 | -24.3 | 33.5 | 0 | 0 | 0 | 110.1 | ||||
| 68 | S | 84.8 | Confident | 88.7 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | trans | -122.8 | 150.7 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | E66 F70 | E66-S68 PolarHBondContact O-N 3.37Å; S68-F70 VanDerWaalsContact C-N 3.27Å; S68-F70 WeakPolarHBondContact CB-O 3.24Å; S68-F70 WeakPolarHBondContact OG-CD1 3.32Å; S68-F70 WeakPolarHBondContact OG-CD2 3.48Å; S68-F70 WeakPolarHBondContact OG-CE1 3.46Å; S68-F70 WeakPolarHBondContact OG-CE2 3.17Å; S68-F70 VanDerWaalsContact OG-CG 3.28Å; S68-F70 WeakPolarHBondContact OG-CG 3.47Å; S68-F70 WeakPolarHBondContact OG-CZ 3.45Å; S68-F70 PolarHBondContact OG-N 3.38Å; S68-F70 PolarHBondContact OG-O 3Å | ||
| 69 | R | 88 | Confident | 88.6 | Confident | 136 Ų | 136 | 63.9 Ų | 63.9 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -84.4 | -5.3 | 174.2 | -59 | -177.1 | 63.2 | -161.1 | -1.6 | 112.6 | V45 D46 | V45-R69 HydrophobicContact CG1-CB 4.11Å; V45-R69 WeakPolarHBondContact CG1-O 3.31Å; D46-R69 VanDerWaalsContact CG-NH1 3.3Å; D46-R69 IonicContact OD1-CZ 3.97Å; D46-R69 IonicContact OD1-NH1 3.76Å; D46-R69 PolarHBondContact OD1-NH1 3.41Å; D46-R69 IonicContact OD1-NH2 3.36Å; D46-R69 PolarHBondContact OD1-NH2 2.97Å; D46-R69 IonicContact OD2-NH1 3.1Å; D46-R69 PolarHBondContact OD2-NH1 2.88Å |
| 70 | F | 92.4 | Very high | 88.6 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -125.4 | 160.3 | 177.5 | 48.7 | -102.3 | 0 | 0 | 0 | 110.6 | W34 K38 L41 V45 V51 V53 S68 Y72 | W34-F70 AromaticContact CH2-CE2 3.6Å; W34-F70 HydrophobicContact CH2-CE2 3.6Å; W34-F70 AromaticContact CH2-CZ 3.57Å; W34-F70 HydrophobicContact CH2-CZ 3.57Å; W34-F70 AromaticContact CZ2-CE2 3.88Å; W34-F70 HydrophobicContact CZ2-CE2 3.88Å; W34-F70 AromaticContact CZ2-CZ 3.73Å; W34-F70 HydrophobicContact CZ2-CZ 3.73Å; K38-F70 HydrophobicContact CG-CZ 4.47Å; L41-F70 HydrophobicContact CB-CD1 4.1Å; L41-F70 HydrophobicContact CB-CE1 4.12Å; L41-F70 HydrophobicContact CD1-CE1 4.38Å; L41-F70 HydrophobicContact CD1-CZ 4.39Å; V45-F70 HydrophobicContact CG2-CB 4.14Å; V51-F70 HydrophobicContact CB-CB 3.69Å; V51-F70 HydrophobicContact CG1-CB 3.85Å; V51-F70 HydrophobicContact CG1-CG 4.32Å; V51-F70 WeakPolarHBondContact O-CB 3.37Å; V53-F70 HydrophobicContact CB-CD2 4.35Å; V53-F70 HydrophobicContact CB-CE2 4.47Å; V53-F70 HydrophobicContact CG2-CD2 3.46Å; V53-F70 VanDerWaalsContact CG2-CD2 3.46Å; V53-F70 HydrophobicContact CG2-CE2 3.74Å; V53-F70 HydrophobicContact CG2-CG 4.21Å; S68-F70 VanDerWaalsContact C-N 3.27Å; S68-F70 WeakPolarHBondContact CB-O 3.24Å; S68-F70 WeakPolarHBondContact OG-CD1 3.32Å; S68-F70 WeakPolarHBondContact OG-CD2 3.48Å; S68-F70 WeakPolarHBondContact OG-CE1 3.46Å; S68-F70 WeakPolarHBondContact OG-CE2 3.17Å; S68-F70 VanDerWaalsContact OG-CG 3.28Å; S68-F70 WeakPolarHBondContact OG-CG 3.47Å; S68-F70 WeakPolarHBondContact OG-CZ 3.45Å; S68-F70 PolarHBondContact OG-N 3.38Å; S68-F70 PolarHBondContact OG-O 3Å; F70-Y72 HydrophobicContact CD2-CE1 4.33Å; F70-Y72 HydrophobicContact CE2-CD1 4.24Å; F70-Y72 AromaticContact CE2-CE1 3.58Å; F70-Y72 HydrophobicContact CE2-CE1 3.58Å; F70-Y72 HydrophobicContact CE2-CE2 4.27Å; F70-Y72 AromaticContact CE2-CZ 3.61Å |
| 71 | Q | 93.7 | Very high | 88.8 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.9 | -177.6 | -179.1 | 174.8 | -6.5 | 0 | 0 | 110.5 | V51 T52 V53 | V51-Q71 PolarHBondContact O-N 3.39Å; T52-Q71 CarbonylContact C-O 3.58Å; T52-Q71 WeakPolarHBondContact CA-O 3.05Å; V53-Q71 PolarHBondContact N-O 3.24Å |
| 72 | Y | 95.1 | Very high | 89 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.9 | 165 | -69.2 | -65.3 | 0 | 0 | 0 | 110.3 | W34 V53 V55 M62 F70 | W34-Y72 HydrophobicContact CH2-CE1 4.12Å; W34-Y72 AromaticContact CZ2-CE1 3.76Å; W34-Y72 HydrophobicContact CZ2-CE1 3.76Å; W34-Y72 WeakPolarHBondContact CZ2-OH 3.43Å; V53-Y72 HydrophobicContact CB-CD1 4Å; V53-Y72 HydrophobicContact CB-CE1 4.36Å; V53-Y72 HydrophobicContact CG1-CD1 4.34Å; V53-Y72 HydrophobicContact CG1-CE1 4.41Å; V53-Y72 CarbonylContact O-C 3.49Å; V53-Y72 WeakPolarHBondContact O-CA 3.38Å; V55-Y72 HydrophobicContact CG2-CD1 3.23Å; V55-Y72 HydrophobicContact CG2-CE1 3.87Å; V55-Y72 HydrophobicContact CG2-CG 3.97Å; M62-Y72 HydrophobicContact CE-CE1 4.22Å; F70-Y72 HydrophobicContact CD2-CE1 4.33Å; F70-Y72 HydrophobicContact CE2-CD1 4.24Å; F70-Y72 AromaticContact CE2-CE1 3.58Å; F70-Y72 HydrophobicContact CE2-CE1 3.58Å; F70-Y72 HydrophobicContact CE2-CE2 4.27Å; F70-Y72 AromaticContact CE2-CZ 3.61Å |
| 73 | E | 95.3 | Very high | 89.1 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.065 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 92.8 | 176.4 | -173.5 | 58 | -132 | 0 | 0 | 108.4 | T52 V53 L54 V55 M135 K138 | T52-E73 HydrophobicContact CG2-CB 3.65Å; T52-E73 HydrophobicContact CG2-CG 4.42Å; V53-E73 PolarHBondContact O-N 2.91Å; L54-E73 WeakPolarHBondContact CA-O 3.35Å; L54-E73 HydrophobicContact CD2-CB 4.13Å; L54-E73 HydrophobicContact CD2-CG 4.11Å; V55-E73 PolarHBondContact N-O 2.94Å; E73-M135 HydrophobicContact CG-CE 4.32Å; E73-M135 HydrophobicContact CG-SD 4.22Å; E73-K138 WeakPolarHBondContact OE1-CD 3.23Å; E73-K138 VanDerWaalsContact OE1-CE 3.24Å; E73-K138 WeakPolarHBondContact OE1-CE 3.36Å; E73-K138 IonicContact OE1-NZ 2.61Å; E73-K138 PolarHBondContact OE1-NZ 3.16Å; E73-K138 WeakPolarHBondContact OE2-CE 3.29Å; E73-K138 IonicContact OE2-NZ 2.73Å; E73-K138 PolarHBondContact OE2-NZ 3.2Å |
| 74 | P | 94.5 | Very high | 89.3 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 147.1 | -176.5 | 29.5 | -33.7 | 0 | 0 | 0 | 111.5 | V55 M135 | V55-P74 CarbonylContact O-C 3.48Å; V55-P74 WeakPolarHBondContact O-CA 3.36Å; P74-M135 WeakPolarHBondContact O-CE 3.43Å |
| 75 | F | 95.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 2% | 0.022 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145 | 172.7 | 67.6 | -88 | 0 | 0 | 0 | 111.8 | Y28 L54 V55 P56 S57 V77 F125 V129 M135 | Y28-F75 AromaticContact CD1-CE1 3.59Å; Y28-F75 HydrophobicContact CD1-CE1 3.59Å; Y28-F75 AromaticContact CD1-CZ 3.46Å; Y28-F75 HydrophobicContact CD1-CZ 3.46Å; Y28-F75 VanDerWaalsContact CD1-CZ 3.46Å; Y28-F75 HydrophobicContact CD2-CZ 4.42Å; Y28-F75 HydrophobicContact CE1-CE1 4.13Å; Y28-F75 HydrophobicContact CE1-CE2 4.46Å; Y28-F75 AromaticContact CE1-CZ 3.55Å; Y28-F75 HydrophobicContact CE1-CZ 3.55Å; Y28-F75 HydrophobicContact CE2-CZ 4.5Å; Y28-F75 HydrophobicContact CG-CE1 4.02Å; Y28-F75 AromaticContact CG-CZ 3.95Å; Y28-F75 HydrophobicContact CG-CZ 3.95Å; L54-F75 HydrophobicContact CB-CD1 4.25Å; L54-F75 HydrophobicContact CB-CE1 4.03Å; V55-F75 VanDerWaalsContact C-CD1 3.49Å; V55-F75 VanDerWaalsContact O-CD1 3.29Å; V55-F75 WeakPolarHBondContact O-CD1 3.46Å; V55-F75 PolarHBondContact O-N 2.66Å; P56-F75 HydrophobicContact CB-CE1 4.02Å; P56-F75 HydrophobicContact CB-CE2 3.92Å; P56-F75 HydrophobicContact CB-CZ 3.55Å; P56-F75 HydrophobicContact CG-CE1 4.46Å; P56-F75 HydrophobicContact CG-CZ 4.18Å; P56-F75 VanDerWaalsContact N-CE1 3.28Å; S57-F75 PolarHBondContact N-O 3.01Å; S57-F75 PolarHBondContact OG-O 2.89Å; F75-V77 HydrophobicContact CD2-CG1 3.63Å; F75-V77 HydrophobicContact CE2-CG1 3.32Å; F75-V77 HydrophobicContact CZ-CG1 4.35Å; F75-F125 WeakPolarHBondContact CE2-O 3.24Å; F75-V129 HydrophobicContact CD1-CG2 4.1Å; F75-V129 HydrophobicContact CD2-CG2 3.76Å; F75-V129 HydrophobicContact CE1-CG2 4.03Å; F75-V129 HydrophobicContact CE2-CG2 3.67Å; F75-V129 HydrophobicContact CG-CG2 3.97Å; F75-V129 HydrophobicContact CZ-CG2 3.82Å; F75-M135 HydrophobicContact CB-CE 3.65Å |
| 76 | D | 94.1 | Very high | 90.4 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | trans | -79.1 | 140.4 | -178.3 | -65.6 | -35 | 0 | 0 | 0 | 111.1 | G128 | D76-G128 VanDerWaalsContact O-CA 3.28Å; D76-G128 WeakPolarHBondContact O-CA 3.48Å | ||
| 77 | V | 93.2 | Very high | 91 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | trans | -131.6 | 143.6 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | P56 S57 A58 F75 V79 F125 | P56-V77 HydrophobicContact CB-CG1 4.07Å; P56-V77 HydrophobicContact CB-CG2 4.48Å; S57-V77 PolarHBondContact OG-N 3.06Å; S57-V77 VanDerWaalsContact OG-N 3.17Å; A58-V77 HydrophobicContact CB-CG2 3.53Å; F75-V77 HydrophobicContact CD2-CG1 3.63Å; F75-V77 HydrophobicContact CE2-CG1 3.32Å; F75-V77 HydrophobicContact CZ-CG1 4.35Å; V77-V79 HydrophobicContact CG2-CB 4.37Å; V77-V79 PolarHBondContact O-N 2.86Å; V77-F125 HydrophobicContact CB-CD2 4.4Å; V77-F125 HydrophobicContact CG1-CB 4.39Å; V77-F125 HydrophobicContact CG1-CD1 4.35Å; V77-F125 HydrophobicContact CG1-CD2 4.36Å; V77-F125 HydrophobicContact CG1-CG 4.12Å; V77-F125 HydrophobicContact CG2-CE2 4.24Å; V77-F125 HydrophobicContact CG2-CZ 4.39Å | ||
| 78 | D | 91.1 | Very high | 91.3 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -83.6 | 51.6 | 176.5 | -174.8 | 38.7 | 0 | 0 | 0 | 111.7 | ||
| 79 | V | 89.4 | Confident | 91.7 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -147.3 | 136.9 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | A58 V77 D83 I84 M121 K124 F125 | A58-V79 VanDerWaalsContact CB-O 3.24Å; A58-V79 WeakPolarHBondContact CB-O 3.41Å; V77-V79 HydrophobicContact CG2-CB 4.37Å; V77-V79 PolarHBondContact O-N 2.86Å; V79-D83 HydrophobicContact CG1-CB 3.98Å; V79-I84 HydrophobicContact CG1-CD1 4.27Å; V79-I84 HydrophobicContact CG1-CG1 3.83Å; V79-M121 HydrophobicContact CG1-CG 4.17Å; V79-M121 HydrophobicContact CG1-SD 4.3Å; V79-M121 HydrophobicContact CG2-CG 4.29Å; V79-K124 HydrophobicContact CG2-CB 3.74Å; V79-K124 HydrophobicContact CG2-CD 3.58Å; V79-K124 HydrophobicContact CG2-CG 4.35Å; V79-F125 HydrophobicContact CB-CE2 3.91Å; V79-F125 HydrophobicContact CG1-CE2 4.13Å; V79-F125 HydrophobicContact CG2-CD2 4.16Å; V79-F125 HydrophobicContact CG2-CE2 3.99Å |
| 80 | S | 91.5 | Very high | 91.9 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | trans | -89.1 | 154.9 | 174.7 | 79 | 0 | 0 | 0 | 0 | 112.1 | K82 D83 I84 | S80-K82 PolarHBondContact O-N 2.96Å; S80-K82 VanDerWaalsContact O-N 3.15Å; S80-K82 PolarHBondContact OG-N 3.28Å; S80-D83 WeakPolarHBondContact CB-OD2 3.47Å; S80-D83 PolarHBondContact N-OD2 3.12Å; S80-D83 PolarHBondContact O-N 3.47Å; S80-D83 PolarHBondContact OG-N 3.32Å; S80-D83 PolarHBondContact OG-OD2 2.91Å; S80-I84 PolarHBondContact O-N 3.34Å | ||
| 81 | V | 90.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 42% | 0.418 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.8 | -32.7 | 171.8 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | A58 M60 I84 Q85 | A58-V81 HydrophobicContact CB-CG2 4.22Å; M60-V81 HydrophobicContact CG-CG1 4.01Å; V81-I84 PolarHBondContact O-N 3.2Å; V81-Q85 WeakPolarHBondContact O-CB 3.14Å; V81-Q85 PolarHBondContact O-N 3.49Å |
| 82 | K | 90.6 | Very high | 91.8 | Very high | 179 Ų | 179 | 63.7 Ų | 63.7 | 78% | 0.778 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | 178.6 | -68.8 | -177.8 | 179.6 | 177.5 | 0 | 112.5 | S80 I84 Q85 K86 | S80-K82 PolarHBondContact O-N 2.96Å; S80-K82 VanDerWaalsContact O-N 3.15Å; S80-K82 PolarHBondContact OG-N 3.28Å; K82-I84 VanDerWaalsContact C-N 3.34Å; K82-Q85 PolarHBondContact O-N 2.87Å; K82-K86 WeakPolarHBondContact O-CB 3.45Å; K82-K86 PolarHBondContact O-N 2.88Å |
| 83 | D | 89.9 | Confident | 91.7 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.3 | -59 | -47.8 | 0 | 0 | 0 | 110.7 | V79 S80 K86 I87 | V79-D83 HydrophobicContact CG1-CB 3.98Å; S80-D83 WeakPolarHBondContact CB-OD2 3.47Å; S80-D83 PolarHBondContact N-OD2 3.12Å; S80-D83 PolarHBondContact O-N 3.47Å; S80-D83 PolarHBondContact OG-N 3.32Å; S80-D83 PolarHBondContact OG-OD2 2.91Å; D83-K86 PolarHBondContact O-N 3.29Å; D83-I87 PolarHBondContact O-N 2.93Å; D83-I87 VanDerWaalsContact O-N 3.09Å |
| 84 | I | 88.9 | Confident | 91.7 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 177 | -54.9 | 159.4 | 0 | 0 | 0 | 109.9 | A58 M60 V79 S80 V81 K82 K86 I87 F88 M121 F125 | A58-I84 HydrophobicContact CB-CD1 3.58Å; A58-I84 WeakPolarHBondContact O-CD1 3.48Å; M60-I84 HydrophobicContact CG-CG2 4.22Å; M60-I84 HydrophobicContact SD-CB 3.93Å; M60-I84 HydrophobicContact SD-CG2 3.43Å; M60-I84 WeakPolarHBondContact SD-CG2 3.44Å; V79-I84 HydrophobicContact CG1-CD1 4.27Å; V79-I84 HydrophobicContact CG1-CG1 3.83Å; S80-I84 PolarHBondContact O-N 3.34Å; V81-I84 PolarHBondContact O-N 3.2Å; K82-I84 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.35Å; I84-I87 PolarHBondContact O-N 3.24Å; I84-F88 VanDerWaalsContact O-CB 3.25Å; I84-F88 WeakPolarHBondContact O-CB 3.38Å; I84-F88 PolarHBondContact O-N 3.3Å; I84-M121 HydrophobicContact CB-SD 4.21Å; I84-M121 HydrophobicContact CG1-SD 3.61Å; I84-M121 HydrophobicContact CG2-CE 4.4Å; I84-M121 HydrophobicContact CG2-SD 4.36Å; I84-F125 HydrophobicContact CD1-CE2 4.12Å; I84-F125 HydrophobicContact CD1-CZ 3.56Å; I84-F125 HydrophobicContact CG1-CE2 4.45Å; I84-F125 HydrophobicContact CG1-CZ 4.25Å |
| 85 | Q | 90.4 | Very high | 91.7 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 29% | 0.29 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57 | -40.8 | 176.6 | -177.4 | 66.2 | 68.5 | 0 | 0 | 111.1 | M60 V81 K82 F88 D89 | M60-Q85 HydrophobicContact CE-CB 4.31Å; M60-Q85 HydrophobicContact SD-CB 4.41Å; V81-Q85 WeakPolarHBondContact O-CB 3.14Å; V81-Q85 PolarHBondContact O-N 3.49Å; K82-Q85 PolarHBondContact O-N 2.87Å; Q85-F88 WeakPolarHBondContact O-CB 3.12Å; Q85-F88 PolarHBondContact O-N 3.03Å; Q85-D89 VanDerWaalsContact NE2-CG 3.32Å; Q85-D89 PolarHBondContact NE2-OD1 2.64Å; Q85-D89 PolarHBondContact NE2-OD2 2.69Å; Q85-D89 WeakPolarHBondContact O-CB 3.18Å; Q85-D89 PolarHBondContact O-N 3.33Å |
| 86 | K | 91.3 | Very high | 91.6 | Very high | 134 Ų | 134 | 63.7 Ų | 63.7 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64 | -50 | 177.5 | -177.1 | -177.9 | 175.2 | -173.4 | 0 | 112.5 | K82 D83 I84 F88 D89 D90 | K82-K86 WeakPolarHBondContact O-CB 3.45Å; K82-K86 PolarHBondContact O-N 2.88Å; D83-K86 PolarHBondContact O-N 3.29Å; I84-K86 PolarHBondContact O-N 3.35Å; K86-F88 PolarHBondContact O-N 3.44Å; K86-D89 PolarHBondContact O-N 2.76Å; K86-D90 WeakPolarHBondContact O-CB 3.22Å; K86-D90 VanDerWaalsContact O-CG 3.3Å; K86-D90 PolarHBondContact O-N 3.01Å |
| 87 | I | 89.4 | Confident | 91.6 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 178 | -68.6 | 175.1 | 0 | 0 | 0 | 110.3 | D83 I84 L91 M121 | D83-I87 PolarHBondContact O-N 2.93Å; D83-I87 VanDerWaalsContact O-N 3.09Å; I84-I87 PolarHBondContact O-N 3.24Å; I87-L91 WeakPolarHBondContact O-CB 3.28Å; I87-L91 PolarHBondContact O-N 2.87Å; I87-M121 HydrophobicContact CD1-CB 4.25Å; I87-M121 HydrophobicContact CD1-CE 4.15Å; I87-M121 HydrophobicContact CD1-SD 3.68Å |
| 88 | F | 89.4 | Confident | 91.7 | Very high | 33 Ų | 33 | 61 Ų | 61 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 177.6 | -174.2 | -99.9 | 0 | 0 | 0 | 112.5 | I84 Q85 K86 L91 L92 M311 | I84-F88 VanDerWaalsContact O-CB 3.25Å; I84-F88 WeakPolarHBondContact O-CB 3.38Å; I84-F88 PolarHBondContact O-N 3.3Å; Q85-F88 WeakPolarHBondContact O-CB 3.12Å; Q85-F88 PolarHBondContact O-N 3.03Å; K86-F88 PolarHBondContact O-N 3.44Å; F88-L91 PolarHBondContact O-N 3.44Å; F88-L92 HydrophobicContact CD1-CD1 3.97Å; F88-L92 HydrophobicContact CD1-CG 4.37Å; F88-L92 HydrophobicContact CE1-CD1 3.23Å; F88-L92 HydrophobicContact CE1-CG 3.87Å; F88-L92 HydrophobicContact CE2-CG 4.47Å; F88-L92 HydrophobicContact CZ-CD1 3.59Å; F88-L92 HydrophobicContact CZ-CD2 4.19Å; F88-L92 HydrophobicContact CZ-CG 3.88Å; F88-L92 WeakPolarHBondContact O-CG 3.29Å; F88-L92 PolarHBondContact O-N 3.02Å; F88-M311 HydrophobicContact CE1-CB 4.32Å; F88-M311 HydrophobicContact CE1-CG 4.36Å; F88-M311 HydrophobicContact CE2-CE 3.92Å; F88-M311 HydrophobicContact CE2-CG 4.01Å; F88-M311 HydrophobicContact CE2-SD 3.55Å; F88-M311 VanDerWaalsContact CE2-SD 3.55Å; F88-M311 HydrophobicContact CZ-CB 3.62Å; F88-M311 HydrophobicContact CZ-CE 4.31Å; F88-M311 HydrophobicContact CZ-CG 3.41Å; F88-M311 VanDerWaalsContact CZ-CG 3.41Å; F88-M311 HydrophobicContact CZ-SD 3.52Å; F88-M311 VanDerWaalsContact CZ-SD 3.52Å |
| 89 | D | 91.5 | Very high | 91.8 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.5 | -69.6 | -19.7 | 0 | 0 | 0 | 111.6 | Q85 K86 L91 L92 H93 | Q85-D89 VanDerWaalsContact NE2-CG 3.32Å; Q85-D89 PolarHBondContact NE2-OD1 2.64Å; Q85-D89 PolarHBondContact NE2-OD2 2.69Å; Q85-D89 WeakPolarHBondContact O-CB 3.18Å; Q85-D89 PolarHBondContact O-N 3.33Å; K86-D89 PolarHBondContact O-N 2.76Å; D89-L91 PolarHBondContact O-N 3.41Å; D89-L92 PolarHBondContact O-N 2.76Å; D89-H93 VanDerWaalsContact O-CB 3.26Å; D89-H93 WeakPolarHBondContact O-CB 3.41Å; D89-H93 PolarHBondContact O-N 3.08Å |
| 90 | D | 92.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 59.7 Ų | 59.7 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 176.3 | -71.8 | -19.2 | 0 | 0 | 0 | 111.2 | K86 F94 L114 | K86-D90 WeakPolarHBondContact O-CB 3.22Å; K86-D90 VanDerWaalsContact O-CG 3.3Å; K86-D90 PolarHBondContact O-N 3.01Å; D90-F94 VanDerWaalsContact O-CB 3.31Å; D90-F94 WeakPolarHBondContact O-CB 3.34Å; D90-F94 PolarHBondContact O-N 3.37Å; D90-L114 HydrophobicContact CB-CD2 4.3Å |
| 91 | L | 92.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.5 | 176.9 | 65.7 | 0 | 0 | 0 | 112 | I87 F88 D89 S95 L114 | I87-L91 WeakPolarHBondContact O-CB 3.28Å; I87-L91 PolarHBondContact O-N 2.87Å; F88-L91 PolarHBondContact O-N 3.44Å; D89-L91 PolarHBondContact O-N 3.41Å; L91-S95 WeakPolarHBondContact O-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.31Å; L91-S95 PolarHBondContact O-OG 2.98Å; L91-L114 HydrophobicContact CD1-CD1 4.13Å |
| 92 | L | 92.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 177.9 | -75.8 | -172.1 | 0 | 0 | 0 | 111.2 | F88 D89 F94 S95 M96 F395 | F88-L92 HydrophobicContact CD1-CD1 3.97Å; F88-L92 HydrophobicContact CD1-CG 4.37Å; F88-L92 HydrophobicContact CE1-CD1 3.23Å; F88-L92 HydrophobicContact CE1-CG 3.87Å; F88-L92 HydrophobicContact CE2-CG 4.47Å; F88-L92 HydrophobicContact CZ-CD1 3.59Å; F88-L92 HydrophobicContact CZ-CD2 4.19Å; F88-L92 HydrophobicContact CZ-CG 3.88Å; F88-L92 WeakPolarHBondContact O-CG 3.29Å; F88-L92 PolarHBondContact O-N 3.02Å; D89-L92 PolarHBondContact O-N 2.76Å; L92-F94 PolarHBondContact O-N 3.17Å; L92-S95 PolarHBondContact O-N 3.32Å; L92-M96 HydrophobicContact CB-SD 4.32Å; L92-M96 VanDerWaalsContact O-CB 3.25Å; L92-M96 WeakPolarHBondContact O-CB 3.09Å; L92-M96 VanDerWaalsContact O-CG 3.24Å; L92-M96 WeakPolarHBondContact O-CG 3.39Å; L92-M96 PolarHBondContact O-N 3.21Å; L92-F395 HydrophobicContact CD2-CB 4.35Å; L92-F395 HydrophobicContact CD2-CD1 3.44Å; L92-F395 VanDerWaalsContact CD2-CD1 3.44Å; L92-F395 HydrophobicContact CD2-CD2 4.18Å; L92-F395 HydrophobicContact CD2-CE1 3.68Å; L92-F395 HydrophobicContact CD2-CE2 4.39Å; L92-F395 HydrophobicContact CD2-CG 3.74Å; L92-F395 HydrophobicContact CD2-CZ 4.17Å |
| 93 | H | 93.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | -179.8 | -172.4 | 72.6 | 0 | 0 | 0 | 111.4 | D89 S95 M96 Y97 E98 | D89-H93 VanDerWaalsContact O-CB 3.26Å; D89-H93 WeakPolarHBondContact O-CB 3.41Å; D89-H93 PolarHBondContact O-N 3.08Å; H93-S95 PolarHBondContact O-N 2.88Å; H93-M96 PolarHBondContact O-N 3.21Å; H93-Y97 AromaticContact ND1-CD2 3.59Å; H93-Y97 PolarHBondContact O-N 3.31Å; H93-E98 IonicContact CD2-OE1 3.85Å; H93-E98 PolarHBondContact CD2-OE1 3.21Å; H93-E98 VanDerWaalsContact CD2-OE1 3.25Å; H93-E98 IonicContact NE2-OE1 3.9Å |
| 94 | F | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -55.1 | -51.4 | 174.4 | 167.8 | -119.7 | 0 | 0 | 0 | 111.8 | D90 L92 E98 M99 M102 I107 K110 L114 | D90-F94 VanDerWaalsContact O-CB 3.31Å; D90-F94 WeakPolarHBondContact O-CB 3.34Å; D90-F94 PolarHBondContact O-N 3.37Å; L92-F94 PolarHBondContact O-N 3.17Å; F94-E98 HydrophobicContact CD2-CB 4.21Å; F94-E98 PolarHBondContact O-N 3Å; F94-M99 HydrophobicContact CD1-CE 4.03Å; F94-M99 HydrophobicContact CE1-CE 3.43Å; F94-M99 VanDerWaalsContact CE1-CE 3.43Å; F94-M99 HydrophobicContact CE2-CB 4.35Å; F94-M99 HydrophobicContact CZ-CB 4.5Å; F94-M99 HydrophobicContact CZ-CE 3.8Å; F94-M99 HydrophobicContact CZ-CG 4.46Å; F94-M99 WeakPolarHBondContact O-CB 3.46Å; F94-M99 PolarHBondContact O-N 2.83Å; F94-M102 HydrophobicContact CD2-SD 4.44Å; F94-M102 HydrophobicContact CE2-SD 3.81Å; F94-I107 HydrophobicContact CZ-CG2 4.19Å; F94-K110 HydrophobicContact CD1-CG 4.49Å; F94-K110 HydrophobicContact CD2-CB 4.47Å; F94-K110 HydrophobicContact CD2-CD 3.39Å; F94-K110 VanDerWaalsContact CD2-CE 3.41Å; F94-K110 HydrophobicContact CD2-CG 3.77Å; F94-K110 HydrophobicContact CE1-CG 4.39Å; F94-K110 HydrophobicContact CE2-CB 3.87Å; F94-K110 HydrophobicContact CE2-CD 3.58Å; F94-K110 HydrophobicContact CE2-CG 3.66Å; F94-K110 HydrophobicContact CG-CD 4.09Å; F94-K110 HydrophobicContact CG-CG 4.18Å; F94-K110 HydrophobicContact CZ-CB 3.96Å; F94-K110 HydrophobicContact CZ-CD 4.4Å; F94-K110 HydrophobicContact CZ-CG 3.98Å; F94-L114 HydrophobicContact CB-CD1 4.08Å; F94-L114 HydrophobicContact CD1-CD1 3.42Å; F94-L114 VanDerWaalsContact CD1-CD1 3.42Å; F94-L114 HydrophobicContact CE1-CD1 4.05Å; F94-L114 HydrophobicContact CG-CD1 3.9Å |
| 95 | S | 94.2 | Very high | 92.9 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -66.3 | -42.5 | -175.3 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | L91 L92 H93 M394 F395 | L91-S95 WeakPolarHBondContact O-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.31Å; L91-S95 PolarHBondContact O-OG 2.98Å; L92-S95 PolarHBondContact O-N 3.32Å; H93-S95 PolarHBondContact O-N 2.88Å; S95-M394 CarbonylContact C-O 3.56Å; S95-F395 VanDerWaalsContact CB-CB 3.47Å |
| 96 | M | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -82.5 | -36.7 | -171.6 | -68.7 | 174.4 | 60.7 | 0 | 0 | 113 | L92 H93 V312 L315 M394 L416 N417 | L92-M96 HydrophobicContact CB-SD 4.32Å; L92-M96 VanDerWaalsContact O-CB 3.25Å; L92-M96 WeakPolarHBondContact O-CB 3.09Å; L92-M96 VanDerWaalsContact O-CG 3.24Å; L92-M96 WeakPolarHBondContact O-CG 3.39Å; L92-M96 PolarHBondContact O-N 3.21Å; H93-M96 PolarHBondContact O-N 3.21Å; M96-V312 HydrophobicContact CE-CG1 4.04Å; M96-V312 HydrophobicContact CE-CG2 4.48Å; M96-V312 HydrophobicContact SD-CG2 4.09Å; M96-L315 HydrophobicContact CE-CD2 3.78Å; M96-M394 HydrophobicContact CE-SD 3.83Å; M96-M394 HydrophobicContact CG-CB 4.03Å; M96-M394 WeakPolarHBondContact CG-O 3.29Å; M96-M394 HydrophobicContact SD-CB 4.42Å; M96-L416 HydrophobicContact CB-CD2 4.4Å; M96-L416 HydrophobicContact CE-CD2 4.15Å; M96-N417 PolarHBondContact O-ND2 2.95Å; M96-N417 PolarHBondContact O-OD1 2.88Å |
| 97 | Y | 94.1 | Very high | 93.1 | Very high | 51 Ų | 51 | 62.5 Ų | 62.5 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -123.6 | -16.3 | -165.4 | -57.4 | -66.6 | 0 | 0 | 0 | 114.8 | H93 F101 T316 L416 | H93-Y97 AromaticContact ND1-CD2 3.59Å; H93-Y97 PolarHBondContact O-N 3.31Å; Y97-F101 VanDerWaalsContact O-CD2 3.24Å; Y97-F101 WeakPolarHBondContact O-CD2 3.43Å; Y97-F101 VanDerWaalsContact O-CE2 3.28Å; Y97-F101 WeakPolarHBondContact O-CE2 3.31Å; Y97-T316 HydrophobicContact CE1-CG2 3.82Å; Y97-L416 HydrophobicContact CE1-CD2 4.25Å |
| 98 | E | 94.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 63.9 Ų | 63.9 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -111.3 | -41.7 | -177.2 | -60.7 | -174.9 | -151.3 | 0 | 0 | 113.3 | H93 F94 D100 F101 M102 K110 | H93-E98 IonicContact CD2-OE1 3.85Å; H93-E98 PolarHBondContact CD2-OE1 3.21Å; H93-E98 VanDerWaalsContact CD2-OE1 3.25Å; H93-E98 IonicContact NE2-OE1 3.9Å; F94-E98 HydrophobicContact CD2-CB 4.21Å; F94-E98 PolarHBondContact O-N 3Å; E98-D100 VanDerWaalsContact C-N 3.29Å; E98-D100 PolarHBondContact O-N 3.09Å; E98-F101 PolarHBondContact O-N 3.01Å; E98-M102 HydrophobicContact CB-CE 3.93Å; E98-M102 WeakPolarHBondContact OE2-CE 3.41Å; E98-K110 IonicContact OE1-NZ 3.61Å; E98-K110 PolarHBondContact OE1-NZ 2.98Å; E98-K110 VanDerWaalsContact OE1-NZ 3.11Å; E98-K110 IonicContact OE2-NZ 2.82Å; E98-K110 PolarHBondContact OE2-NZ 3.13Å |
| 99 | M | 93.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -55.5 | -40.4 | -169.9 | -174.6 | -175.5 | -68.9 | 0 | 0 | 113.1 | F94 F101 M102 I107 | F94-M99 HydrophobicContact CD1-CE 4.03Å; F94-M99 HydrophobicContact CE1-CE 3.43Å; F94-M99 VanDerWaalsContact CE1-CE 3.43Å; F94-M99 HydrophobicContact CE2-CB 4.35Å; F94-M99 HydrophobicContact CZ-CB 4.5Å; F94-M99 HydrophobicContact CZ-CE 3.8Å; F94-M99 HydrophobicContact CZ-CG 4.46Å; F94-M99 WeakPolarHBondContact O-CB 3.46Å; F94-M99 PolarHBondContact O-N 2.83Å; M99-F101 PolarHBondContact O-N 2.9Å; M99-M102 PolarHBondContact O-N 2.87Å; M99-I107 HydrophobicContact CE-CG2 4.39Å; M99-I107 HydrophobicContact CG-CD1 3.84Å; M99-I107 HydrophobicContact CG-CG1 3.98Å; M99-I107 HydrophobicContact CG-CG2 4.02Å; M99-I107 WeakPolarHBondContact O-CD1 3.25Å; M99-I107 HydrophobicContact SD-CG2 4.36Å |
| 100 | D | 93.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -66.6 | -15 | -179.4 | -79 | -19 | 0 | 0 | 0 | 113.8 | E98 N415 N417 F418 | E98-D100 VanDerWaalsContact C-N 3.29Å; E98-D100 PolarHBondContact O-N 3.09Å; D100-N415 PolarHBondContact OD2-ND2 3.43Å; D100-N415 PolarHBondContact OD2-OD1 3.27Å; D100-N417 PolarHBondContact OD2-ND2 2.89Å; D100-F418 HydrophobicContact CB-CE2 4.03Å; D100-F418 HydrophobicContact CB-CZ 4.05Å |
| 101 | F | 95.1 | Very high | 93.1 | Very high | 138 Ų | 138 | 64.6 Ų | 64.6 | 61% | 0.605 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -106.8 | 4.1 | -179.4 | -53.6 | -73.9 | 0 | 0 | 0 | 113 | Y97 E98 M99 N417 F418 | Y97-F101 VanDerWaalsContact O-CD2 3.24Å; Y97-F101 WeakPolarHBondContact O-CD2 3.43Å; Y97-F101 VanDerWaalsContact O-CE2 3.28Å; Y97-F101 WeakPolarHBondContact O-CE2 3.31Å; E98-F101 PolarHBondContact O-N 3.01Å; M99-F101 PolarHBondContact O-N 2.9Å; F101-N417 HydrophobicContact CE2-CB 4.3Å; F101-N417 HydrophobicContact CZ-CB 3.96Å; F101-F418 AromaticContact CE1-CE1 3.8Å; F101-F418 HydrophobicContact CE1-CE1 3.8Å; F101-F418 HydrophobicContact CE1-CZ 4.11Å; F101-F418 HydrophobicContact CZ-CE1 4.34Å |
| 102 | M | 95.9 | Very high | 93 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -104.9 | 153.2 | -178.7 | -71.5 | -176.7 | 177.3 | 0 | 0 | 111.7 | F94 E98 M99 Q106 I107 K110 | F94-M102 HydrophobicContact CD2-SD 4.44Å; F94-M102 HydrophobicContact CE2-SD 3.81Å; E98-M102 HydrophobicContact CB-CE 3.93Å; E98-M102 WeakPolarHBondContact OE2-CE 3.41Å; M99-M102 PolarHBondContact O-N 2.87Å; M102-Q106 HydrophobicContact CB-CB 4.1Å; M102-Q106 HydrophobicContact CG-CB 4.41Å; M102-Q106 HydrophobicContact SD-CB 4.32Å; M102-I107 HydrophobicContact CB-CD1 4.3Å; M102-I107 HydrophobicContact CB-CG1 3.66Å; M102-K110 HydrophobicContact CE-CD 4.32Å |
| 103 | N | 95.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 66.1 Ų | 66.1 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | trans | -77.9 | 160 | 169.4 | 73.2 | 64.6 | 0 | 0 | 0 | 111.1 | F105 Q106 I107 | N103-F105 VanDerWaalsContact C-N 3.27Å; N103-F105 PolarHBondContact O-N 3.45Å; N103-F105 VanDerWaalsContact O-N 3.14Å; N103-F105 WeakPolarHBondContact OD1-CB 3.28Å; N103-F105 PolarHBondContact OD1-N 2.91Å; N103-Q106 VanDerWaalsContact N-OE1 3.15Å; N103-Q106 PolarHBondContact ND2-OE1 3.21Å; N103-Q106 PolarHBondContact O-N 3.49Å; N103-Q106 VanDerWaalsContact O-N 3.1Å; N103-Q106 PolarHBondContact OD1-N 3.37Å; N103-Q106 VanDerWaalsContact OD1-N 3.13Å; N103-I107 WeakPolarHBondContact O-CG1 3.36Å; N103-I107 PolarHBondContact O-N 3.28Å; N103-I107 VanDerWaalsContact O-N 3.09Å | ||
| 104 | P | 90.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 62.6 Ų | 62.6 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.8 | -38.9 | -176.2 | -29.7 | 36.4 | 0 | 0 | 0 | 114.6 | I107 Y108 | P104-I107 PolarHBondContact O-N 3.01Å; P104-Y108 VanDerWaalsContact O-CD2 3.3Å; P104-Y108 WeakPolarHBondContact O-CD2 3.18Å; P104-Y108 PolarHBondContact O-N 2.81Å |
| 105 | F | 91.1 | Very high | 92.4 | Very high | 145 Ų | 145 | 64.7 Ų | 64.7 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | -179.8 | 177.8 | -99.2 | 0 | 0 | 0 | 112.1 | N103 Y108 M109 | N103-F105 VanDerWaalsContact C-N 3.27Å; N103-F105 PolarHBondContact O-N 3.45Å; N103-F105 VanDerWaalsContact O-N 3.14Å; N103-F105 WeakPolarHBondContact OD1-CB 3.28Å; N103-F105 PolarHBondContact OD1-N 2.91Å; F105-Y108 PolarHBondContact O-N 2.98Å; F105-M109 HydrophobicContact CD1-CG 4.3Å; F105-M109 HydrophobicContact CE1-CG 3.84Å; F105-M109 HydrophobicContact CE2-CG 4.15Å; F105-M109 HydrophobicContact CE2-SD 4.42Å; F105-M109 HydrophobicContact CZ-CG 3.75Å; F105-M109 HydrophobicContact CZ-SD 4.15Å; F105-M109 WeakPolarHBondContact O-CG 3.24Å; F105-M109 PolarHBondContact O-N 2.84Å |
| 106 | Q | 94.3 | Very high | 92.1 | Very high | 93 Ų | 93 | 67.9 Ų | 67.9 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.1 | -72 | 171.9 | -34.1 | 0 | 0 | 111.7 | M102 N103 Y108 M109 K110 | M102-Q106 HydrophobicContact CB-CB 4.1Å; M102-Q106 HydrophobicContact CG-CB 4.41Å; M102-Q106 HydrophobicContact SD-CB 4.32Å; N103-Q106 VanDerWaalsContact N-OE1 3.15Å; N103-Q106 PolarHBondContact ND2-OE1 3.21Å; N103-Q106 PolarHBondContact O-N 3.49Å; N103-Q106 VanDerWaalsContact O-N 3.1Å; N103-Q106 PolarHBondContact OD1-N 3.37Å; N103-Q106 VanDerWaalsContact OD1-N 3.13Å; Q106-Y108 VanDerWaalsContact C-N 3.34Å; Q106-Y108 PolarHBondContact O-N 2.75Å; Q106-M109 PolarHBondContact O-N 3.49Å; Q106-K110 WeakPolarHBondContact O-CB 3.47Å; Q106-K110 PolarHBondContact O-N 2.85Å |
| 107 | I | 92.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 70.8 Ų | 70.8 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 176.4 | -64.1 | 170.8 | 0 | 0 | 0 | 109.9 | F94 M99 M102 N103 P104 K110 A111 | F94-I107 HydrophobicContact CZ-CG2 4.19Å; M99-I107 HydrophobicContact CE-CG2 4.39Å; M99-I107 HydrophobicContact CG-CD1 3.84Å; M99-I107 HydrophobicContact CG-CG1 3.98Å; M99-I107 HydrophobicContact CG-CG2 4.02Å; M99-I107 WeakPolarHBondContact O-CD1 3.25Å; M99-I107 HydrophobicContact SD-CG2 4.36Å; M102-I107 HydrophobicContact CB-CD1 4.3Å; M102-I107 HydrophobicContact CB-CG1 3.66Å; N103-I107 WeakPolarHBondContact O-CG1 3.36Å; N103-I107 PolarHBondContact O-N 3.28Å; N103-I107 VanDerWaalsContact O-N 3.09Å; P104-I107 PolarHBondContact O-N 3.01Å; I107-K110 PolarHBondContact O-N 3.35Å; I107-A111 WeakPolarHBondContact O-CB 3.24Å; I107-A111 PolarHBondContact O-N 3.29Å |
| 108 | Y | 89.9 | Confident | 91.5 | Very high | 69 Ų | 69 | 71.2 Ų | 71.2 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 179 | -94.7 | -81.6 | 0 | 0 | 0 | 112.6 | P104 F105 Q106 K110 A111 I112 L218 Q219 | P104-Y108 VanDerWaalsContact O-CD2 3.3Å; P104-Y108 WeakPolarHBondContact O-CD2 3.18Å; P104-Y108 PolarHBondContact O-N 2.81Å; F105-Y108 PolarHBondContact O-N 2.98Å; Q106-Y108 VanDerWaalsContact C-N 3.34Å; Q106-Y108 PolarHBondContact O-N 2.75Å; Y108-K110 PolarHBondContact O-N 3Å; Y108-A111 PolarHBondContact O-N 3.14Å; Y108-I112 VanDerWaalsContact O-CG1 3.3Å; Y108-I112 WeakPolarHBondContact O-CG1 3.39Å; Y108-I112 PolarHBondContact O-N 3.4Å; Y108-L218 HydrophobicContact CE1-CD2 3.97Å; Y108-L218 HydrophobicContact CE1-CG 4.48Å; Y108-L218 HydrophobicContact CE2-CD2 4.3Å; Y108-Q219 PolarHBondContact OH-NE2 2.51Å |
| 109 | M | 90.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 69.7 Ų | 69.7 | 51% | 0.512 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 179.7 | -74.1 | -59.7 | -60.7 | 0 | 0 | 111.9 | F105 Q106 I112 D113 | F105-M109 HydrophobicContact CD1-CG 4.3Å; F105-M109 HydrophobicContact CE1-CG 3.84Å; F105-M109 HydrophobicContact CE2-CG 4.15Å; F105-M109 HydrophobicContact CE2-SD 4.42Å; F105-M109 HydrophobicContact CZ-CG 3.75Å; F105-M109 HydrophobicContact CZ-SD 4.15Å; F105-M109 WeakPolarHBondContact O-CG 3.24Å; F105-M109 PolarHBondContact O-N 2.84Å; Q106-M109 PolarHBondContact O-N 3.49Å; M109-I112 PolarHBondContact O-N 3.44Å; M109-D113 PolarHBondContact O-N 3Å; M109-D113 VanDerWaalsContact O-N 3.14Å |
| 110 | K | 92.6 | Very high | 91.1 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 178 | -174 | 153.9 | 176.6 | 171.9 | 0 | 112.2 | F94 E98 M102 Q106 I107 Y108 I112 D113 L114 | F94-K110 HydrophobicContact CD1-CG 4.49Å; F94-K110 HydrophobicContact CD2-CB 4.47Å; F94-K110 HydrophobicContact CD2-CD 3.39Å; F94-K110 VanDerWaalsContact CD2-CE 3.41Å; F94-K110 HydrophobicContact CD2-CG 3.77Å; F94-K110 HydrophobicContact CE1-CG 4.39Å; F94-K110 HydrophobicContact CE2-CB 3.87Å; F94-K110 HydrophobicContact CE2-CD 3.58Å; F94-K110 HydrophobicContact CE2-CG 3.66Å; F94-K110 HydrophobicContact CG-CD 4.09Å; F94-K110 HydrophobicContact CG-CG 4.18Å; F94-K110 HydrophobicContact CZ-CB 3.96Å; F94-K110 HydrophobicContact CZ-CD 4.4Å; F94-K110 HydrophobicContact CZ-CG 3.98Å; E98-K110 IonicContact OE1-NZ 3.61Å; E98-K110 PolarHBondContact OE1-NZ 2.98Å; E98-K110 VanDerWaalsContact OE1-NZ 3.11Å; E98-K110 IonicContact OE2-NZ 2.82Å; E98-K110 PolarHBondContact OE2-NZ 3.13Å; M102-K110 HydrophobicContact CE-CD 4.32Å; Q106-K110 WeakPolarHBondContact O-CB 3.47Å; Q106-K110 PolarHBondContact O-N 2.85Å; I107-K110 PolarHBondContact O-N 3.35Å; Y108-K110 PolarHBondContact O-N 3Å; K110-I112 PolarHBondContact O-N 3.09Å; K110-D113 PolarHBondContact O-N 2.79Å; K110-L114 HydrophobicContact CG-CD1 4.23Å; K110-L114 WeakPolarHBondContact O-CG 3.29Å; K110-L114 PolarHBondContact O-N 3.25Å |
| 111 | A | 89.9 | Confident | 90.9 | Very high | 35 Ų | 35 | 68.7 Ų | 68.7 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I107 Y108 T115 | I107-A111 WeakPolarHBondContact O-CB 3.24Å; I107-A111 PolarHBondContact O-N 3.29Å; Y108-A111 PolarHBondContact O-N 3.14Å; A111-T115 VanDerWaalsContact O-CB 3.28Å; A111-T115 WeakPolarHBondContact O-CB 3.44Å; A111-T115 PolarHBondContact O-N 3.46Å; A111-T115 PolarHBondContact O-OG1 3Å |
| 112 | I | 89.3 | Confident | 90.7 | Very high | 30 Ų | 30 | 62.2 Ų | 62.2 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.3 | -71.1 | 167.2 | 0 | 0 | 0 | 110.7 | Y108 M109 K110 T115 K116 V222 F226 | Y108-I112 VanDerWaalsContact O-CG1 3.3Å; Y108-I112 WeakPolarHBondContact O-CG1 3.39Å; Y108-I112 PolarHBondContact O-N 3.4Å; M109-I112 PolarHBondContact O-N 3.44Å; K110-I112 PolarHBondContact O-N 3.09Å; I112-T115 PolarHBondContact O-N 3.17Å; I112-K116 HydrophobicContact CG2-CD 4.22Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 2.8Å; I112-V222 HydrophobicContact CG1-CG1 4.36Å; I112-F226 HydrophobicContact CG2-CG 4.47Å |
| 113 | D | 90.5 | Very high | 90.6 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 179 | -171.9 | 65.8 | 0 | 0 | 0 | 112.2 | M109 K110 T115 K116 N117 | M109-D113 PolarHBondContact O-N 3Å; M109-D113 VanDerWaalsContact O-N 3.14Å; K110-D113 PolarHBondContact O-N 2.79Å; D113-T115 VanDerWaalsContact C-N 3.29Å; D113-T115 PolarHBondContact O-N 2.98Å; D113-K116 PolarHBondContact O-N 2.96Å; D113-N117 PolarHBondContact O-N 3.17Å; D113-N117 PolarHBondContact O-ND2 3.4Å |
| 114 | L | 90.1 | Very high | 90.5 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 175.2 | -70.9 | 171.4 | 0 | 0 | 0 | 111.9 | D90 L91 F94 K110 N117 N118 | D90-L114 HydrophobicContact CB-CD2 4.3Å; L91-L114 HydrophobicContact CD1-CD1 4.13Å; F94-L114 HydrophobicContact CB-CD1 4.08Å; F94-L114 HydrophobicContact CD1-CD1 3.42Å; F94-L114 VanDerWaalsContact CD1-CD1 3.42Å; F94-L114 HydrophobicContact CE1-CD1 4.05Å; F94-L114 HydrophobicContact CG-CD1 3.9Å; K110-L114 HydrophobicContact CG-CD1 4.23Å; K110-L114 WeakPolarHBondContact O-CG 3.29Å; K110-L114 PolarHBondContact O-N 3.25Å; L114-N117 PolarHBondContact O-N 2.99Å; L114-N118 WeakPolarHBondContact O-CB 3.2Å; L114-N118 PolarHBondContact O-N 3.43Å |
| 115 | T | 87.5 | Confident | 90.7 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | A111 I112 D113 N118 M119 M227 | A111-T115 VanDerWaalsContact O-CB 3.28Å; A111-T115 WeakPolarHBondContact O-CB 3.44Å; A111-T115 PolarHBondContact O-N 3.46Å; A111-T115 PolarHBondContact O-OG1 3Å; I112-T115 PolarHBondContact O-N 3.17Å; D113-T115 VanDerWaalsContact C-N 3.29Å; D113-T115 PolarHBondContact O-N 2.98Å; T115-N118 PolarHBondContact O-N 2.99Å; T115-M119 WeakPolarHBondContact O-CB 3.41Å; T115-M119 PolarHBondContact O-N 2.55Å; T115-M227 HydrophobicContact CG2-CE 3.62Å; T115-M227 HydrophobicContact CG2-CG 3.8Å; T115-M227 HydrophobicContact CG2-SD 3.83Å |
| 116 | K | 88.3 | Confident | 90.8 | Very high | 79 Ų | 79 | 50 Ų | 50 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -45 | 175.3 | -76.6 | 175.1 | 177.7 | 178.7 | 0 | 111.9 | I112 D113 N118 M119 N120 | I112-K116 HydrophobicContact CG2-CD 4.22Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 2.8Å; D113-K116 PolarHBondContact O-N 2.96Å; K116-N118 VanDerWaalsContact C-N 3.33Å; K116-N118 PolarHBondContact O-N 3.38Å; K116-M119 PolarHBondContact O-N 2.76Å; K116-N120 PolarHBondContact O-N 2.95Å; K116-N120 PolarHBondContact O-ND2 3.26Å |
| 117 | N | 87.4 | Confident | 90.9 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.9 | -69 | -29.3 | 0 | 0 | 0 | 111.3 | D113 L114 N120 M121 | D113-N117 PolarHBondContact O-N 3.17Å; D113-N117 PolarHBondContact O-ND2 3.4Å; L114-N117 PolarHBondContact O-N 2.99Å; N117-N120 PolarHBondContact O-N 2.65Å; N117-M121 PolarHBondContact O-N 2.79Å; N117-M121 VanDerWaalsContact O-N 3.14Å |
| 118 | N | 88.5 | Confident | 91.1 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 174.8 | -175 | 65.6 | 0 | 0 | 0 | 112.9 | L114 T115 K116 M121 S122 | L114-N118 WeakPolarHBondContact O-CB 3.2Å; L114-N118 PolarHBondContact O-N 3.43Å; T115-N118 PolarHBondContact O-N 2.99Å; K116-N118 VanDerWaalsContact C-N 3.33Å; K116-N118 PolarHBondContact O-N 3.38Å; N118-M121 PolarHBondContact O-N 2.83Å; N118-M121 WeakPolarHBondContact OD1-CE 3.46Å; N118-S122 WeakPolarHBondContact O-CB 3.41Å; N118-S122 PolarHBondContact O-N 3.04Å; N118-S122 PolarHBondContact O-OG 3.42Å |
| 119 | M | 89.5 | Confident | 91.4 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 177.5 | -171.6 | 61 | 76.4 | 0 | 0 | 111.6 | T115 K116 M121 S122 L123 M227 I231 | T115-M119 WeakPolarHBondContact O-CB 3.41Å; T115-M119 PolarHBondContact O-N 2.55Å; K116-M119 PolarHBondContact O-N 2.76Å; M119-M121 VanDerWaalsContact C-N 3.28Å; M119-M121 PolarHBondContact O-N 2.8Å; M119-S122 WeakPolarHBondContact O-CA 3.48Å; M119-S122 WeakPolarHBondContact O-CB 3.3Å; M119-S122 PolarHBondContact O-N 3.32Å; M119-L123 WeakPolarHBondContact O-CG 3.28Å; M119-L123 PolarHBondContact O-N 3.34Å; M119-M227 HydrophobicContact CE-CB 4.18Å; M119-M227 HydrophobicContact CE-CE 4.38Å; M119-I231 HydrophobicContact CE-CD1 3.52Å; M119-I231 HydrophobicContact CE-CG1 4.04Å; M119-I231 HydrophobicContact SD-CD1 3.68Å; M119-I231 HydrophobicContact SD-CG1 3.69Å |
| 120 | N | 89.6 | Confident | 91.7 | Very high | 87 Ų | 87 | 39.1 Ų | 39.1 | 47% | 0.465 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.3 | -42.9 | 176.4 | -73.8 | -22.3 | 0 | 0 | 0 | 111.6 | K116 N117 L123 K124 | K116-N120 PolarHBondContact O-N 2.95Å; K116-N120 PolarHBondContact O-ND2 3.26Å; N117-N120 PolarHBondContact O-N 2.65Å; N120-L123 PolarHBondContact O-N 3.1Å; N120-K124 PolarHBondContact O-N 3.15Å |
| 121 | M | 90.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.3 | -179.4 | -179.6 | 66.7 | 0 | 0 | 111.9 | V79 I84 I87 N117 N118 M119 L123 K124 F125 | V79-M121 HydrophobicContact CG1-CG 4.17Å; V79-M121 HydrophobicContact CG1-SD 4.3Å; V79-M121 HydrophobicContact CG2-CG 4.29Å; I84-M121 HydrophobicContact CB-SD 4.21Å; I84-M121 HydrophobicContact CG1-SD 3.61Å; I84-M121 HydrophobicContact CG2-CE 4.4Å; I84-M121 HydrophobicContact CG2-SD 4.36Å; I87-M121 HydrophobicContact CD1-CB 4.25Å; I87-M121 HydrophobicContact CD1-CE 4.15Å; I87-M121 HydrophobicContact CD1-SD 3.68Å; N117-M121 PolarHBondContact O-N 2.79Å; N117-M121 VanDerWaalsContact O-N 3.14Å; N118-M121 PolarHBondContact O-N 2.83Å; N118-M121 WeakPolarHBondContact OD1-CE 3.46Å; M119-M121 VanDerWaalsContact C-N 3.28Å; M119-M121 PolarHBondContact O-N 2.8Å; M121-L123 VanDerWaalsContact C-N 3.28Å; M121-L123 PolarHBondContact O-N 3.04Å; M121-K124 WeakPolarHBondContact O-CB 3.12Å; M121-K124 PolarHBondContact O-N 3.12Å; M121-K124 VanDerWaalsContact O-N 3.09Å; M121-F125 HydrophobicContact CG-CD2 4.33Å; M121-F125 HydrophobicContact CG-CE2 4.06Å; M121-F125 WeakPolarHBondContact O-CD2 3.03Å; M121-F125 PolarHBondContact O-N 2.95Å; M121-F125 VanDerWaalsContact O-N 3.17Å |
| 122 | S | 91.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -35.6 | 179.7 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | N118 M119 F125 L126 | N118-S122 WeakPolarHBondContact O-CB 3.41Å; N118-S122 PolarHBondContact O-N 3.04Å; N118-S122 PolarHBondContact O-OG 3.42Å; M119-S122 WeakPolarHBondContact O-CA 3.48Å; M119-S122 WeakPolarHBondContact O-CB 3.3Å; M119-S122 PolarHBondContact O-N 3.32Å; S122-F125 WeakPolarHBondContact O-CB 3.13Å; S122-F125 PolarHBondContact O-N 3.28Å; S122-L126 PolarHBondContact O-N 3.49Å |
| 123 | L | 93.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -33.5 | 174.3 | -66.8 | 178.9 | 0 | 0 | 0 | 112.6 | M119 N120 M121 F125 L126 D127 D230 Y234 | M119-L123 WeakPolarHBondContact O-CG 3.28Å; M119-L123 PolarHBondContact O-N 3.34Å; N120-L123 PolarHBondContact O-N 3.1Å; M121-L123 VanDerWaalsContact C-N 3.28Å; M121-L123 PolarHBondContact O-N 3.04Å; L123-F125 VanDerWaalsContact C-N 3.35Å; L123-L126 HydrophobicContact CD2-CD2 4.45Å; L123-L126 WeakPolarHBondContact O-CB 3.38Å; L123-L126 PolarHBondContact O-N 2.93Å; L123-D127 PolarHBondContact O-N 2.74Å; L123-D230 HydrophobicContact CD1-CB 4.36Å; L123-Y234 HydrophobicContact CB-CD2 4.49Å; L123-Y234 HydrophobicContact CD2-CD2 3.93Å; L123-Y234 HydrophobicContact CD2-CE2 4.47Å; L123-Y234 HydrophobicContact CD2-CG 3.98Å |
| 124 | K | 93.1 | Very high | 92.7 | Very high | 93 Ų | 93 | 47.5 Ų | 47.5 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | 172.8 | -67.6 | -177.7 | 170 | -158.6 | 0 | 112.7 | V79 N120 M121 L126 D127 | V79-K124 HydrophobicContact CG2-CB 3.74Å; V79-K124 HydrophobicContact CG2-CD 3.58Å; V79-K124 HydrophobicContact CG2-CG 4.35Å; N120-K124 PolarHBondContact O-N 3.15Å; M121-K124 WeakPolarHBondContact O-CB 3.12Å; M121-K124 PolarHBondContact O-N 3.12Å; M121-K124 VanDerWaalsContact O-N 3.09Å; K124-L126 VanDerWaalsContact C-N 3.3Å; K124-D127 PolarHBondContact O-N 3.27Å |
| 125 | F | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 172.2 | -83.5 | -130.1 | 0 | 0 | 0 | 110.6 | Y28 P56 A58 F75 V77 V79 I84 M121 S122 L123 D127 G128 | Y28-F125 HydrophobicContact CD2-CD1 4.31Å; Y28-F125 HydrophobicContact CE2-CB 4.34Å; Y28-F125 AromaticContact CE2-CD1 3.61Å; Y28-F125 HydrophobicContact CE2-CD1 3.61Å; Y28-F125 HydrophobicContact CE2-CE1 4.42Å; Y28-F125 HydrophobicContact CE2-CG 4.44Å; Y28-F125 VanDerWaalsContact OH-CB 3.3Å; Y28-F125 WeakPolarHBondContact OH-CB 3.09Å; P56-F125 HydrophobicContact CB-CD1 3.7Å; P56-F125 HydrophobicContact CB-CE1 3.47Å; P56-F125 VanDerWaalsContact CB-CE1 3.47Å; P56-F125 HydrophobicContact CB-CZ 4.35Å; P56-F125 HydrophobicContact CG-CD1 3.94Å; P56-F125 HydrophobicContact CG-CE1 3.52Å; A58-F125 HydrophobicContact CB-CZ 4.33Å; F75-F125 WeakPolarHBondContact CE2-O 3.24Å; V77-F125 HydrophobicContact CB-CD2 4.4Å; V77-F125 HydrophobicContact CG1-CB 4.39Å; V77-F125 HydrophobicContact CG1-CD1 4.35Å; V77-F125 HydrophobicContact CG1-CD2 4.36Å; V77-F125 HydrophobicContact CG1-CG 4.12Å; V77-F125 HydrophobicContact CG2-CE2 4.24Å; V77-F125 HydrophobicContact CG2-CZ 4.39Å; V79-F125 HydrophobicContact CB-CE2 3.91Å; V79-F125 HydrophobicContact CG1-CE2 4.13Å; V79-F125 HydrophobicContact CG2-CD2 4.16Å; V79-F125 HydrophobicContact CG2-CE2 3.99Å; I84-F125 HydrophobicContact CD1-CE2 4.12Å; I84-F125 HydrophobicContact CD1-CZ 3.56Å; I84-F125 HydrophobicContact CG1-CE2 4.45Å; I84-F125 HydrophobicContact CG1-CZ 4.25Å; M121-F125 HydrophobicContact CG-CD2 4.33Å; M121-F125 HydrophobicContact CG-CE2 4.06Å; M121-F125 WeakPolarHBondContact O-CD2 3.03Å; M121-F125 PolarHBondContact O-N 2.95Å; M121-F125 VanDerWaalsContact O-N 3.17Å; S122-F125 WeakPolarHBondContact O-CB 3.13Å; S122-F125 PolarHBondContact O-N 3.28Å; L123-F125 VanDerWaalsContact C-N 3.35Å; F125-D127 VanDerWaalsContact C-N 3.29Å; F125-D127 PolarHBondContact O-N 3.26Å; F125-G128 PolarHBondContact O-N 2.94Å; F125-G128 VanDerWaalsContact O-N 3.14Å |
| 126 | L | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.4 | -174 | 50.2 | 0 | 0 | 0 | 111.8 | W27 S122 L123 K124 G128 V129 V130 G155 Y234 Y235 | W27-L126 HydrophobicContact CH2-CD1 4.08Å; W27-L126 HydrophobicContact CZ2-CD1 3.98Å; S122-L126 PolarHBondContact O-N 3.49Å; L123-L126 HydrophobicContact CD2-CD2 4.45Å; L123-L126 WeakPolarHBondContact O-CB 3.38Å; L123-L126 PolarHBondContact O-N 2.93Å; K124-L126 VanDerWaalsContact C-N 3.3Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.29Å; L126-V129 CarbonylContact O-C 3.54Å; L126-V129 PolarHBondContact O-N 3.5Å; L126-V130 HydrophobicContact CD1-CB 4.35Å; L126-V130 HydrophobicContact CD1-CG1 3.6Å; L126-V130 HydrophobicContact CD1-CG2 3.86Å; L126-V130 HydrophobicContact CG-CG1 4.45Å; L126-V130 HydrophobicContact CG-CG2 3.79Å; L126-V130 WeakPolarHBondContact O-CG2 3.4Å; L126-V130 PolarHBondContact O-N 3.3Å; L126-G155 VanDerWaalsContact CD1-CA 3.48Å; L126-Y234 HydrophobicContact CD2-CD1 3.81Å; L126-Y234 HydrophobicContact CD2-CE1 3.4Å; L126-Y234 VanDerWaalsContact CD2-CE1 3.4Å; L126-Y234 HydrophobicContact CG-CE1 3.67Å; L126-Y235 HydrophobicContact CD2-CE1 3.99Å |
| 127 | D | 95.8 | Very high | 93.9 | Very high | 56 Ų | 56 | 48 Ų | 48 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -54.3 | -41.8 | 174.4 | -74.4 | -18.8 | 0 | 0 | 0 | 112.5 | L123 K124 F125 V129 K131 S132 Y234 | L123-D127 PolarHBondContact O-N 2.74Å; K124-D127 PolarHBondContact O-N 3.27Å; F125-D127 VanDerWaalsContact C-N 3.29Å; F125-D127 PolarHBondContact O-N 3.26Å; D127-V129 PolarHBondContact O-N 3.15Å; D127-V129 VanDerWaalsContact O-N 3.13Å; D127-K131 HydrophobicContact CB-CB 4.5Å; D127-K131 HydrophobicContact CB-CD 4.47Å; D127-K131 WeakPolarHBondContact O-CB 3.21Å; D127-K131 PolarHBondContact O-N 3.11Å; D127-K131 VanDerWaalsContact O-N 3.12Å; D127-K131 WeakPolarHBondContact OD1-CD 3.34Å; D127-K131 WeakPolarHBondContact OD1-CE 3.38Å; D127-K131 IonicContact OD1-NZ 3.78Å; D127-K131 PolarHBondContact OD1-NZ 3.03Å; D127-K131 IonicContact OD2-NZ 3.93Å; D127-S132 PolarHBondContact O-N 2.78Å; D127-Y234 PolarHBondContact N-OH 2.92Å; D127-Y234 WeakPolarHBondContact OD1-CE2 3.35Å; D127-Y234 VanDerWaalsContact OD1-CZ 3.23Å; D127-Y234 PolarHBondContact OD1-OH 2.94Å |
| 128 | G | 95.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -60.9 | -20.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D76 F125 L126 S132 | D76-G128 VanDerWaalsContact O-CA 3.28Å; D76-G128 WeakPolarHBondContact O-CA 3.48Å; F125-G128 PolarHBondContact O-N 2.94Å; F125-G128 VanDerWaalsContact O-N 3.14Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.29Å; G128-S132 WeakPolarHBondContact O-CB 3.04Å |
| 129 | V | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -101.4 | -66 | 174.4 | -174 | 0 | 0 | 0 | 0 | 111 | W27 Y28 L54 F75 L126 D127 M135 M136 L139 | W27-V129 HydrophobicContact CH2-CB 4.07Å; W27-V129 HydrophobicContact CH2-CG1 3.82Å; W27-V129 HydrophobicContact CH2-CG2 4.18Å; W27-V129 HydrophobicContact CZ3-CG1 3.95Å; Y28-V129 HydrophobicContact CE1-CG2 4.44Å; L54-V129 HydrophobicContact CD1-CG1 4.27Å; L54-V129 HydrophobicContact CD1-CG2 4.38Å; F75-V129 HydrophobicContact CD1-CG2 4.1Å; F75-V129 HydrophobicContact CD2-CG2 3.76Å; F75-V129 HydrophobicContact CE1-CG2 4.03Å; F75-V129 HydrophobicContact CE2-CG2 3.67Å; F75-V129 HydrophobicContact CG-CG2 3.97Å; F75-V129 HydrophobicContact CZ-CG2 3.82Å; L126-V129 CarbonylContact O-C 3.54Å; L126-V129 PolarHBondContact O-N 3.5Å; D127-V129 PolarHBondContact O-N 3.15Å; D127-V129 VanDerWaalsContact O-N 3.13Å; V129-M135 HydrophobicContact CG1-CG 4.23Å; V129-M136 HydrophobicContact CG1-SD 4.4Å; V129-M136 VanDerWaalsContact O-CG 3.24Å; V129-M136 WeakPolarHBondContact O-CG 3.47Å; V129-L139 HydrophobicContact CG1-CD1 3.89Å |
| 130 | V | 96.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -82 | -25.2 | -165.5 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | L126 M136 L158 T159 Y234 V238 | L126-V130 HydrophobicContact CD1-CB 4.35Å; L126-V130 HydrophobicContact CD1-CG1 3.6Å; L126-V130 HydrophobicContact CD1-CG2 3.86Å; L126-V130 HydrophobicContact CG-CG1 4.45Å; L126-V130 HydrophobicContact CG-CG2 3.79Å; L126-V130 WeakPolarHBondContact O-CG2 3.4Å; L126-V130 PolarHBondContact O-N 3.3Å; V130-M136 HydrophobicContact CG1-SD 4.44Å; V130-L158 HydrophobicContact CG1-CD2 4.47Å; V130-T159 WeakPolarHBondContact CG1-OG1 3.26Å; V130-Y234 HydrophobicContact CG2-CE1 3.76Å; V130-Y234 WeakPolarHBondContact CG2-OH 3.32Å; V130-V238 HydrophobicContact CG2-CG2 4.22Å |
| 131 | K | 95.3 | Very high | 95.6 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 46% | 0.457 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -95.2 | -10.2 | 174 | -64 | -169.5 | -170.8 | 148.3 | 0 | 112.8 | D127 E133 | D127-K131 HydrophobicContact CB-CB 4.5Å; D127-K131 HydrophobicContact CB-CD 4.47Å; D127-K131 WeakPolarHBondContact O-CB 3.21Å; D127-K131 PolarHBondContact O-N 3.11Å; D127-K131 VanDerWaalsContact O-N 3.12Å; D127-K131 WeakPolarHBondContact OD1-CD 3.34Å; D127-K131 WeakPolarHBondContact OD1-CE 3.38Å; D127-K131 IonicContact OD1-NZ 3.78Å; D127-K131 PolarHBondContact OD1-NZ 3.03Å; D127-K131 IonicContact OD2-NZ 3.93Å; K131-E133 PolarHBondContact O-N 3.18Å |
| 132 | S | 96.8 | Very high | 95.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | trans | -77.2 | 107.2 | 172.7 | 175 | 0 | 0 | 0 | 0 | 110.4 | D127 G128 A134 M135 M136 | D127-S132 PolarHBondContact O-N 2.78Å; G128-S132 WeakPolarHBondContact O-CB 3.04Å; S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.18Å; S132-M135 PolarHBondContact O-N 2.94Å; S132-M135 WeakPolarHBondContact OG-CB 3.38Å; S132-M135 PolarHBondContact OG-N 3.23Å; S132-M136 WeakPolarHBondContact O-CB 3.41Å; S132-M136 PolarHBondContact O-N 2.85Å | ||
| 133 | E | 95.4 | Very high | 96 | Very high | 177 Ų | 177 | 58.4 Ų | 58.4 | 83% | 0.827 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.5 | -42.1 | 177.6 | -68.4 | -173.2 | 174.4 | 0 | 0 | 112 | K131 K137 | K131-E133 PolarHBondContact O-N 3.18Å; E133-K137 WeakPolarHBondContact O-CB 3.39Å; E133-K137 PolarHBondContact O-N 2.9Å |
| 134 | A | 96.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S132 K138 | S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.18Å; A134-K138 WeakPolarHBondContact O-CB 3.5Å; A134-K138 PolarHBondContact O-N 3.23Å; A134-K138 VanDerWaalsContact O-N 3.08Å |
| 135 | M | 97.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.4 | -50.5 | 179.2 | -175.5 | 53.3 | 57.6 | 0 | 0 | 111 | L54 E73 P74 F75 V129 S132 K137 K138 L139 | L54-M135 HydrophobicContact CD2-SD 4.29Å; E73-M135 HydrophobicContact CG-CE 4.32Å; E73-M135 HydrophobicContact CG-SD 4.22Å; P74-M135 WeakPolarHBondContact O-CE 3.43Å; F75-M135 HydrophobicContact CB-CE 3.65Å; V129-M135 HydrophobicContact CG1-CG 4.23Å; S132-M135 PolarHBondContact O-N 2.94Å; S132-M135 WeakPolarHBondContact OG-CB 3.38Å; S132-M135 PolarHBondContact OG-N 3.23Å; M135-K137 VanDerWaalsContact C-N 3.3Å; M135-K137 PolarHBondContact O-N 3.06Å; M135-K138 WeakPolarHBondContact O-CB 3.43Å; M135-K138 PolarHBondContact O-N 2.87Å; M135-K138 VanDerWaalsContact O-N 3.12Å; M135-L139 HydrophobicContact CG-CD1 4.22Å; M135-L139 HydrophobicContact CG-CG 4.39Å; M135-L139 WeakPolarHBondContact O-CG 3.42Å; M135-L139 PolarHBondContact O-N 3.05Å; M135-L139 HydrophobicContact SD-CD1 4.4Å; M135-L139 HydrophobicContact SD-CD2 4.33Å; M135-L139 HydrophobicContact SD-CG 4.13Å |
| 136 | M | 97.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 179.6 | -76.6 | -50.5 | -55.5 | 0 | 0 | 113.2 | V129 V130 S132 L139 K140 I162 L163 | V129-M136 HydrophobicContact CG1-SD 4.4Å; V129-M136 VanDerWaalsContact O-CG 3.24Å; V129-M136 WeakPolarHBondContact O-CG 3.47Å; V130-M136 HydrophobicContact CG1-SD 4.44Å; S132-M136 WeakPolarHBondContact O-CB 3.41Å; S132-M136 PolarHBondContact O-N 2.85Å; M136-L139 PolarHBondContact O-N 3.01Å; M136-L139 HydrophobicContact SD-CD1 4.24Å; M136-K140 WeakPolarHBondContact O-CB 3.43Å; M136-K140 VanDerWaalsContact O-CG 3.27Å; M136-K140 WeakPolarHBondContact O-CG 3.47Å; M136-K140 PolarHBondContact O-N 3.22Å; M136-I162 HydrophobicContact CE-CB 4.26Å; M136-I162 HydrophobicContact CE-CG2 3.52Å; M136-L163 HydrophobicContact CE-CD2 4.23Å |
| 137 | K | 97.3 | Very high | 96.9 | Very high | 130 Ų | 130 | 57.6 Ų | 57.6 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.9 | -49.7 | 173 | -179.1 | 179.8 | 175.1 | -177.6 | 0 | 110.6 | E133 M135 L139 K140 E141 | E133-K137 WeakPolarHBondContact O-CB 3.39Å; E133-K137 PolarHBondContact O-N 2.9Å; M135-K137 VanDerWaalsContact C-N 3.3Å; M135-K137 PolarHBondContact O-N 3.06Å; K137-L139 VanDerWaalsContact C-N 3.32Å; K137-L139 PolarHBondContact O-N 3.33Å; K137-K140 PolarHBondContact O-N 3.01Å; K137-E141 WeakPolarHBondContact CE-OE1 3.49Å; K137-E141 WeakPolarHBondContact CG-OE1 3.34Å; K137-E141 WeakPolarHBondContact O-CG 3.35Å; K137-E141 PolarHBondContact O-N 2.91Å |
| 138 | K | 97.4 | Very high | 97 | Very high | 95 Ų | 95 | 55 Ų | 55 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 178.3 | -172.2 | 172.4 | -177.9 | 178.9 | 0 | 112.2 | E73 A134 M135 E141 G142 | E73-K138 WeakPolarHBondContact OE1-CD 3.23Å; E73-K138 VanDerWaalsContact OE1-CE 3.24Å; E73-K138 WeakPolarHBondContact OE1-CE 3.36Å; E73-K138 IonicContact OE1-NZ 2.61Å; E73-K138 PolarHBondContact OE1-NZ 3.16Å; E73-K138 WeakPolarHBondContact OE2-CE 3.29Å; E73-K138 IonicContact OE2-NZ 2.73Å; E73-K138 PolarHBondContact OE2-NZ 3.2Å; A134-K138 WeakPolarHBondContact O-CB 3.5Å; A134-K138 PolarHBondContact O-N 3.23Å; A134-K138 VanDerWaalsContact O-N 3.08Å; M135-K138 WeakPolarHBondContact O-CB 3.43Å; M135-K138 PolarHBondContact O-N 2.87Å; M135-K138 VanDerWaalsContact O-N 3.12Å; K138-E141 PolarHBondContact O-N 2.7Å; K138-G142 PolarHBondContact O-N 2.57Å |
| 139 | L | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 177.3 | -66.1 | -177.2 | 0 | 0 | 0 | 112.7 | L25 L54 V129 M135 M136 K137 G142 Y144 T159 L163 | L25-L139 HydrophobicContact CD1-CD2 3.95Å; L25-L139 HydrophobicContact CD2-CD2 4.16Å; L54-L139 HydrophobicContact CD2-CD2 4.13Å; V129-L139 HydrophobicContact CG1-CD1 3.89Å; M135-L139 HydrophobicContact CG-CD1 4.22Å; M135-L139 HydrophobicContact CG-CG 4.39Å; M135-L139 WeakPolarHBondContact O-CG 3.42Å; M135-L139 PolarHBondContact O-N 3.05Å; M135-L139 HydrophobicContact SD-CD1 4.4Å; M135-L139 HydrophobicContact SD-CD2 4.33Å; M135-L139 HydrophobicContact SD-CG 4.13Å; M136-L139 PolarHBondContact O-N 3.01Å; M136-L139 HydrophobicContact SD-CD1 4.24Å; K137-L139 VanDerWaalsContact C-N 3.32Å; K137-L139 PolarHBondContact O-N 3.33Å; L139-G142 PolarHBondContact O-N 3.06Å; L139-Y144 HydrophobicContact CD2-CE2 4.02Å; L139-T159 HydrophobicContact CD1-CG2 4.3Å; L139-L163 HydrophobicContact CB-CD1 4.29Å; L139-L163 HydrophobicContact CB-CD2 4.06Å |
| 140 | K | 97.4 | Very high | 97.1 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 53% | 0.53 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 174.3 | -73.4 | 171.8 | -178.9 | 178.3 | 0 | 112.1 | M136 K137 G142 L163 | M136-K140 WeakPolarHBondContact O-CB 3.43Å; M136-K140 VanDerWaalsContact O-CG 3.27Å; M136-K140 WeakPolarHBondContact O-CG 3.47Å; M136-K140 PolarHBondContact O-N 3.22Å; K137-K140 PolarHBondContact O-N 3.01Å; K140-G142 VanDerWaalsContact C-N 3.26Å; K140-G142 PolarHBondContact O-N 2.55Å; K140-L163 HydrophobicContact CB-CD2 4.4Å; K140-L163 HydrophobicContact CG-CD2 3.68Å |
| 141 | E | 97.1 | Very high | 97 | Very high | 119 Ų | 119 | 54 Ų | 54 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.3 | -19.1 | 177.7 | -69.5 | 171.4 | 176.4 | 0 | 0 | 112.9 | K137 K138 N143 | K137-E141 WeakPolarHBondContact CE-OE1 3.49Å; K137-E141 WeakPolarHBondContact CG-OE1 3.34Å; K137-E141 WeakPolarHBondContact O-CG 3.35Å; K137-E141 PolarHBondContact O-N 2.91Å; K138-E141 PolarHBondContact O-N 2.7Å; E141-N143 VanDerWaalsContact C-N 3.26Å; E141-N143 PolarHBondContact O-N 3.43Å; E141-N143 PolarHBondContact O-ND2 3.23Å |
| 142 | G | 95.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K23 K138 L139 K140 | K23-G142 WeakPolarHBondContact CD-O 3.21Å; K23-G142 PolarHBondContact NZ-O 2.99Å; K138-G142 PolarHBondContact O-N 2.57Å; L139-G142 PolarHBondContact O-N 3.06Å; K140-G142 VanDerWaalsContact C-N 3.26Å; K140-G142 PolarHBondContact O-N 2.55Å |
| 143 | N | 95.1 | Very high | 96.7 | Very high | 116 Ų | 116 | 52.2 Ų | 52.2 | 62% | 0.62 | 26% | 0.263 | S | S | * | . | trans | 51.9 | 56 | -177.1 | -63.9 | -71.5 | 0 | 0 | 0 | 112.5 | K23 E141 | K23-N143 WeakPolarHBondContact CD-O 3.4Å; E141-N143 VanDerWaalsContact C-N 3.26Å; E141-N143 PolarHBondContact O-N 3.43Å; E141-N143 PolarHBondContact O-ND2 3.23Å | ||
| 144 | Y | 98.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 11% | 0.114 | 23% | 0.228 | C | C | . | . | trans | -73.5 | 147.9 | 178.7 | -60.4 | -76.1 | 0 | 0 | 0 | 111.9 | K23 L25 T52 L139 I165 | K23-Y144 HydrophobicContact CB-CD1 4.05Å; L25-Y144 HydrophobicContact CB-CD1 3.72Å; L25-Y144 HydrophobicContact CB-CD2 3.98Å; L25-Y144 HydrophobicContact CB-CE1 4.05Å; L25-Y144 HydrophobicContact CB-CE2 4.28Å; L25-Y144 HydrophobicContact CB-CG 3.68Å; L25-Y144 HydrophobicContact CD1-CE1 4.32Å; L25-Y144 HydrophobicContact CD1-CE2 4.11Å; L25-Y144 HydrophobicContact CD2-CD2 4.08Å; L25-Y144 HydrophobicContact CD2-CE2 4.19Å; L25-Y144 HydrophobicContact CG-CD2 4.45Å; L25-Y144 HydrophobicContact CG-CE2 4.43Å; T52-Y144 WeakPolarHBondContact CG2-OH 3.29Å; L139-Y144 HydrophobicContact CD2-CE2 4.02Å; Y144-I165 VanDerWaalsContact O-CG2 3.23Å; Y144-I165 WeakPolarHBondContact O-CG2 3.37Å | ||
| 145 | D | 98.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 40.9 Ų | 40.9 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -93.9 | -22.8 | 179.3 | -63.9 | -66.5 | 0 | 0 | 0 | 112.8 | G22 K23 P166 M467 | G22-D145 WeakPolarHBondContact CA-OD2 2.92Å; K23-D145 PolarHBondContact N-OD2 3.28Å; K23-D145 PolarHBondContact O-N 3.33Å; D145-P166 WeakPolarHBondContact O-CD 3.42Å; D145-M467 HydrophobicContact CB-CB 4.44Å; D145-M467 HydrophobicContact CB-CG 3.96Å; D145-M467 HydrophobicContact CB-SD 4.03Å |
| 146 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 147.1 | 179.8 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | I24 L25 P166 V168 I463 T466 M467 | I24-V146 HydrophobicContact CB-CG1 4.34Å; I24-V146 HydrophobicContact CG1-CG1 3.91Å; I24-V146 HydrophobicContact CG2-CG1 4.1Å; L25-V146 PolarHBondContact N-O 3.36Å; V146-P166 HydrophobicContact CG2-CB 4.32Å; V146-V168 HydrophobicContact CG2-CG2 3.86Å; V146-I463 HydrophobicContact CG1-CG2 4.18Å; V146-T466 HydrophobicContact CG2-CG2 4.12Å; V146-M467 HydrophobicContact CB-CG 3.75Å; V146-M467 HydrophobicContact CG1-CG 3.47Å; V146-M467 VanDerWaalsContact CG1-CG 3.47Å; V146-M467 HydrophobicContact CG1-SD 3.65Å |
| 147 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.2 | 165.6 | -161.2 | 151.9 | 0 | 0 | 0 | 109.6 | L25 W27 A149 Y156 T159 A160 I165 P166 L167 V168 | L25-L147 HydrophobicContact CD2-CD1 3.99Å; L25-L147 HydrophobicContact CD2-CG 4.46Å; L25-L147 HydrophobicContact CG-CD1 4.46Å; L25-L147 HydrophobicContact CG-CG 4.45Å; L25-L147 CarbonylContact O-C 3.56Å; L25-L147 WeakPolarHBondContact O-CA 3.15Å; W27-L147 HydrophobicContact CB-CD2 4.29Å; L147-A149 HydrophobicContact CD2-CB 3.76Å; L147-Y156 WeakPolarHBondContact CD1-O 3.27Å; L147-T159 HydrophobicContact CD1-CG2 4.23Å; L147-A160 HydrophobicContact CB-CB 4.16Å; L147-A160 HydrophobicContact CD1-CB 4.05Å; L147-I165 HydrophobicContact CB-CD1 3.89Å; L147-I165 HydrophobicContact CB-CG1 4.24Å; L147-P166 PolarHBondContact N-O 2.76Å; L147-L167 HydrophobicContact CB-CD1 4.13Å; L147-L167 HydrophobicContact CD2-CD1 3.57Å; L147-L167 HydrophobicContact CG-CD1 4.43Å; L147-V168 PolarHBondContact O-N 3.19Å |
| 148 | F | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.4 | 173.8 | 179.6 | -131 | 0 | 0 | 0 | 110.3 | I24 L25 V26 W27 M37 V40 L41 V168 L256 I463 | I24-F148 HydrophobicContact CG2-CB 4.19Å; L25-F148 PolarHBondContact O-N 3.42Å; V26-F148 VanDerWaalsContact CA-O 3.29Å; V26-F148 WeakPolarHBondContact CA-O 3.47Å; W27-F148 PolarHBondContact N-O 3.4Å; M37-F148 HydrophobicContact CE-CD1 3.44Å; M37-F148 VanDerWaalsContact CE-CD1 3.44Å; M37-F148 HydrophobicContact CE-CE1 3.31Å; M37-F148 HydrophobicContact CE-CG 4.14Å; M37-F148 HydrophobicContact CE-CZ 3.91Å; M37-F148 HydrophobicContact CG-CE1 4.38Å; V40-F148 HydrophobicContact CG1-CE1 4.2Å; V40-F148 HydrophobicContact CG1-CZ 4.4Å; L41-F148 HydrophobicContact CD2-CD1 3.83Å; L41-F148 HydrophobicContact CD2-CE1 4.05Å; F148-V168 WeakPolarHBondContact CA-O 3.5Å; F148-V168 HydrophobicContact CD2-CB 4.19Å; F148-V168 HydrophobicContact CD2-CG1 4.02Å; F148-V168 WeakPolarHBondContact CD2-O 3.42Å; F148-V168 HydrophobicContact CE2-CG1 4.32Å; F148-L256 HydrophobicContact CE2-CD1 4Å; F148-I463 HydrophobicContact CD1-CD1 4.31Å; F148-I463 HydrophobicContact CD2-CD1 4.03Å; F148-I463 HydrophobicContact CD2-CG1 4.45Å; F148-I463 HydrophobicContact CE1-CD1 4.31Å; F148-I463 HydrophobicContact CE2-CD1 4.06Å; F148-I463 HydrophobicContact CG-CD1 4.17Å; F148-I463 HydrophobicContact CZ-CD1 4.19Å |
| 149 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W27 L147 Y156 V168 L169 S170 | W27-A149 HydrophobicContact CB-CB 3.57Å; W27-A149 HydrophobicContact CG-CB 4.35Å; L147-A149 HydrophobicContact CD2-CB 3.76Å; A149-Y156 HydrophobicContact CB-CD1 4.33Å; A149-Y156 HydrophobicContact CB-CD2 4.1Å; A149-Y156 HydrophobicContact CB-CG 3.72Å; A149-V168 PolarHBondContact N-O 3.03Å; A149-L169 HydrophobicContact CB-CD2 4.03Å; A149-L169 CarbonylContact O-C 3.6Å; A149-L169 WeakPolarHBondContact O-CA 3.48Å; A149-S170 PolarHBondContact O-N 3.05Å |
| 150 | D | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | trans | -88.2 | 125.6 | 151.8 | -175 | -66.9 | 0 | 0 | 0 | 108.6 | H33 M37 I152 S170 R258 | H33-D150 IonicContact CE1-OD1 2.75Å; H33-D150 IonicContact CE1-OD2 2.91Å; H33-D150 IonicContact CG-OD1 3.58Å; H33-D150 IonicContact CG-OD2 3.91Å; H33-D150 IonicContact ND1-OD1 2.79Å; H33-D150 PolarHBondContact ND1-OD1 3.17Å; H33-D150 IonicContact ND1-OD2 3.65Å; H33-D150 PolarHBondContact ND1-OD2 3.33Å; M37-D150 HydrophobicContact SD-CB 3.68Å; D150-I152 PolarHBondContact O-N 3.35Å; D150-I152 VanDerWaalsContact O-N 3.15Å; D150-I152 VanDerWaalsContact OD1-CB 3.26Å; D150-I152 WeakPolarHBondContact OD1-CB 3.33Å; D150-I152 WeakPolarHBondContact OD1-CG2 3.35Å; D150-I152 PolarHBondContact OD1-N 3.09Å; D150-S170 WeakPolarHBondContact CA-O 3.36Å; D150-R258 IonicContact OD2-CZ 3.09Å; D150-R258 IonicContact OD2-NH1 3.33Å; D150-R258 PolarHBondContact OD2-NH1 3.46Å; D150-R258 IonicContact OD2-NH2 2.64Å; D150-R258 PolarHBondContact OD2-NH2 3.29Å | ||
| 151 | P | 94.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 17.1 | -169.5 | 36.1 | -38.4 | 0 | 0 | 0 | 114.3 | Y153 Y156 S170 L171 W179 | P151-Y153 PolarHBondContact O-N 3.47Å; P151-Y156 HydrophobicContact CB-CD1 4.29Å; P151-Y156 HydrophobicContact CB-CE1 3.36Å; P151-Y156 HydrophobicContact CB-CE2 4.22Å; P151-Y156 WeakPolarHBondContact CB-OH 3.18Å; P151-S170 WeakPolarHBondContact CD-O 3.24Å; P151-L171 HydrophobicContact CG-CB 4.2Å; P151-L171 HydrophobicContact CG-CD1 3.44Å; P151-L171 VanDerWaalsContact CG-CD1 3.44Å; P151-L171 HydrophobicContact CG-CG 4.36Å; P151-W179 HydrophobicContact CB-CE3 4.36Å; P151-W179 HydrophobicContact CB-CH2 4.39Å; P151-W179 HydrophobicContact CB-CZ3 3.66Å; P151-W179 HydrophobicContact CG-CE3 4.37Å; P151-W179 HydrophobicContact CG-CZ3 3.85Å; P151-W179 VanDerWaalsContact O-CH2 3.3Å; P151-W179 WeakPolarHBondContact O-CH2 3.42Å; P151-W179 WeakPolarHBondContact O-CZ3 3.45Å |
| 152 | I | 91.8 | Very high | 96.4 | Very high | 82 Ų | 82 | 23.1 Ų | 23.1 | 42% | 0.421 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.7 | 176.6 | -168.2 | 63.9 | 0 | 0 | 0 | 113 | T29 D150 | T29-I152 WeakPolarHBondContact OG1-CG2 3.38Å; D150-I152 PolarHBondContact O-N 3.35Å; D150-I152 VanDerWaalsContact O-N 3.15Å; D150-I152 VanDerWaalsContact OD1-CB 3.26Å; D150-I152 WeakPolarHBondContact OD1-CB 3.33Å; D150-I152 WeakPolarHBondContact OD1-CG2 3.35Å; D150-I152 PolarHBondContact OD1-N 3.09Å |
| 153 | Y | 92.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 10% | 0.102 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -112.3 | 142.2 | 171.1 | -65 | -65.4 | 0 | 0 | 0 | 110.4 | Y28 E30 P151 Y156 | Y28-Y153 AromaticContact CD2-CD2 3.85Å; Y28-Y153 HydrophobicContact CD2-CD2 3.85Å; Y28-Y153 HydrophobicContact CD2-CE2 4.42Å; Y28-Y153 HydrophobicContact CD2-CG 4.4Å; Y28-Y153 HydrophobicContact CE2-CD1 4.43Å; Y28-Y153 AromaticContact CE2-CD2 3.56Å; Y28-Y153 HydrophobicContact CE2-CD2 3.56Å; Y28-Y153 HydrophobicContact CE2-CE2 4.29Å; Y28-Y153 AromaticContact CE2-CG 3.66Å; Y28-Y153 HydrophobicContact CE2-CG 3.66Å; E30-Y153 HydrophobicContact CB-CE2 4.27Å; E30-Y153 HydrophobicContact CG-CE2 3.88Å; P151-Y153 PolarHBondContact O-N 3.47Å; Y153-Y156 WeakPolarHBondContact O-CD1 3.4Å; Y153-Y156 WeakPolarHBondContact O-CE1 3.36Å |
| 154 | P | 93.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -71.4 | 169.8 | 179.4 | 32.5 | -35.8 | 0 | 0 | 0 | 112 | W27 I231 | W27-P154 WeakPolarHBondContact CZ2-O 3.44Å; W27-P154 PolarHBondContact NE1-O 2.92Å; P154-I231 HydrophobicContact CB-CD1 4.19Å |
| 155 | G | 95.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 102.9 | -17.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | W27 L126 D157 L158 T159 Y235 | W27-G155 VanDerWaalsContact CZ2-C 3.44Å; L126-G155 VanDerWaalsContact CD1-CA 3.48Å; G155-D157 VanDerWaalsContact C-N 3.28Å; G155-D157 PolarHBondContact O-N 2.98Å; G155-L158 PolarHBondContact O-N 3.05Å; G155-T159 VanDerWaalsContact O-CB 3.24Å; G155-T159 WeakPolarHBondContact O-CB 3.3Å; G155-T159 PolarHBondContact O-N 2.95Å; G155-T159 PolarHBondContact O-OG1 3.09Å; G155-Y235 WeakPolarHBondContact CA-OH 3.48Å; G155-Y235 PolarHBondContact N-OH 3.09Å | ||
| 156 | Y | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -39.5 | 177.1 | 55.9 | -92.6 | 0 | 0 | 0 | 112.3 | L147 A149 P151 Y153 A160 L167 L169 L249 | L147-Y156 WeakPolarHBondContact CD1-O 3.27Å; A149-Y156 HydrophobicContact CB-CD1 4.33Å; A149-Y156 HydrophobicContact CB-CD2 4.1Å; A149-Y156 HydrophobicContact CB-CG 3.72Å; P151-Y156 HydrophobicContact CB-CD1 4.29Å; P151-Y156 HydrophobicContact CB-CE1 3.36Å; P151-Y156 HydrophobicContact CB-CE2 4.22Å; P151-Y156 WeakPolarHBondContact CB-OH 3.18Å; Y153-Y156 WeakPolarHBondContact O-CD1 3.4Å; Y153-Y156 WeakPolarHBondContact O-CE1 3.36Å; Y156-A160 VanDerWaalsContact O-CB 3.31Å; Y156-A160 WeakPolarHBondContact O-CB 3.17Å; Y156-A160 PolarHBondContact O-N 3.12Å; Y156-L167 HydrophobicContact CD2-CD1 4.05Å; Y156-L167 HydrophobicContact CD2-CD2 3.92Å; Y156-L167 HydrophobicContact CE2-CD2 4.2Å; Y156-L169 HydrophobicContact CD2-CD2 3.56Å; Y156-L169 HydrophobicContact CE2-CD1 4.05Å; Y156-L169 HydrophobicContact CE2-CD2 3.41Å; Y156-L169 VanDerWaalsContact CE2-CD2 3.41Å; Y156-L169 HydrophobicContact CE2-CG 4.38Å; Y156-L169 HydrophobicContact CG-CD2 4.47Å; Y156-L249 HydrophobicContact CE2-CD2 3.78Å; Y156-L249 VanDerWaalsContact OH-CD2 3.29Å; Y156-L249 WeakPolarHBondContact OH-CD2 3.46Å |
| 157 | D | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.8 | -44.1 | -177.7 | 57.1 | -24.8 | 0 | 0 | 0 | 111.7 | G155 T159 A160 D161 L167 Y235 N245 M248 L249 | G155-D157 VanDerWaalsContact C-N 3.28Å; G155-D157 PolarHBondContact O-N 2.98Å; D157-T159 VanDerWaalsContact C-N 3.32Å; D157-T159 PolarHBondContact O-N 3.06Å; D157-A160 PolarHBondContact O-N 2.7Å; D157-D161 WeakPolarHBondContact O-CB 3.43Å; D157-D161 PolarHBondContact O-N 3.42Å; D157-L167 HydrophobicContact CB-CD2 3.93Å; D157-Y235 WeakPolarHBondContact OD1-CE2 3.49Å; D157-Y235 PolarHBondContact OD1-OH 3.31Å; D157-Y235 WeakPolarHBondContact OD2-CE2 3.5Å; D157-N245 PolarHBondContact OD2-ND2 3.31Å; D157-M248 HydrophobicContact CB-CB 3.95Å; D157-M248 VanDerWaalsContact OD2-CB 3.27Å; D157-M248 WeakPolarHBondContact OD2-CB 3.11Å; D157-L249 HydrophobicContact CB-CD2 4.39Å |
| 158 | L | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 171 | 176.4 | 61 | 0 | 0 | 0 | 111.4 | V130 G155 D161 I162 Y234 Y235 V238 K239 M248 | V130-L158 HydrophobicContact CG1-CD2 4.47Å; G155-L158 PolarHBondContact O-N 3.05Å; L158-D161 PolarHBondContact O-N 2.71Å; L158-I162 HydrophobicContact CD1-CD1 4Å; L158-I162 HydrophobicContact CD1-CG1 4.3Å; L158-I162 HydrophobicContact CG-CD1 3.92Å; L158-I162 VanDerWaalsContact O-CG1 3.28Å; L158-I162 WeakPolarHBondContact O-CG1 3.48Å; L158-I162 PolarHBondContact O-N 3.14Å; L158-Y234 HydrophobicContact CD2-CE1 4.45Å; L158-Y235 HydrophobicContact CB-CD1 4.49Å; L158-Y235 HydrophobicContact CB-CD2 4.09Å; L158-Y235 HydrophobicContact CB-CE1 4.17Å; L158-Y235 HydrophobicContact CB-CE2 3.76Å; L158-Y235 HydrophobicContact CB-CG 4.44Å; L158-Y235 HydrophobicContact CD2-CD1 3.79Å; L158-Y235 HydrophobicContact CD2-CE1 3.99Å; L158-Y235 HydrophobicContact CD2-CG 4.07Å; L158-V238 HydrophobicContact CD2-CB 4.17Å; L158-V238 HydrophobicContact CD2-CG1 4.1Å; L158-V238 HydrophobicContact CD2-CG2 4.42Å; L158-K239 HydrophobicContact CD1-CD 3.89Å; L158-K239 HydrophobicContact CD1-CG 3.84Å; L158-M248 HydrophobicContact CD1-CE 4.08Å |
| 159 | T | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.5 | -44.5 | 179.2 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | W27 V130 L139 L147 G155 D157 D161 I162 L163 | W27-T159 VanDerWaalsContact CH2-OG1 3.25Å; W27-T159 WeakPolarHBondContact CH2-OG1 3.46Å; W27-T159 HydrophobicContact CZ3-CG2 3.93Å; W27-T159 VanDerWaalsContact CZ3-OG1 3.24Å; W27-T159 WeakPolarHBondContact CZ3-OG1 3.08Å; V130-T159 WeakPolarHBondContact CG1-OG1 3.26Å; L139-T159 HydrophobicContact CD1-CG2 4.3Å; L147-T159 HydrophobicContact CD1-CG2 4.23Å; G155-T159 VanDerWaalsContact O-CB 3.24Å; G155-T159 WeakPolarHBondContact O-CB 3.3Å; G155-T159 PolarHBondContact O-N 2.95Å; G155-T159 PolarHBondContact O-OG1 3.09Å; D157-T159 VanDerWaalsContact C-N 3.32Å; D157-T159 PolarHBondContact O-N 3.06Å; T159-D161 VanDerWaalsContact C-N 3.27Å; T159-D161 PolarHBondContact O-N 2.79Å; T159-I162 PolarHBondContact O-N 3.44Å; T159-L163 HydrophobicContact CG2-CD1 3.85Å; T159-L163 HydrophobicContact CG2-CG 4.22Å; T159-L163 WeakPolarHBondContact O-CB 3.3Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.4Å; T159-L163 PolarHBondContact O-N 3.18Å |
| 160 | A | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.1 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L147 Y156 D157 L163 G164 I165 L167 | L147-A160 HydrophobicContact CB-CB 4.16Å; L147-A160 HydrophobicContact CD1-CB 4.05Å; Y156-A160 VanDerWaalsContact O-CB 3.31Å; Y156-A160 WeakPolarHBondContact O-CB 3.17Å; Y156-A160 PolarHBondContact O-N 3.12Å; D157-A160 PolarHBondContact O-N 2.7Å; A160-L163 PolarHBondContact O-N 3.42Å; A160-G164 PolarHBondContact O-N 2.72Å; A160-I165 HydrophobicContact CB-CG1 4.36Å; A160-I165 PolarHBondContact O-N 3.14Å; A160-L167 HydrophobicContact CB-CB 4.19Å; A160-L167 HydrophobicContact CB-CD1 4.38Å |
| 161 | D | 96.7 | Very high | 96.5 | Very high | 62 Ų | 62 | 19.5 Ų | 19.5 | 33% | 0.332 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.3 | -44 | 176.3 | -179.1 | 79.7 | 0 | 0 | 0 | 112.5 | D157 L158 T159 L163 G164 K239 M248 | D157-D161 WeakPolarHBondContact O-CB 3.43Å; D157-D161 PolarHBondContact O-N 3.42Å; L158-D161 PolarHBondContact O-N 2.71Å; T159-D161 VanDerWaalsContact C-N 3.27Å; T159-D161 PolarHBondContact O-N 2.79Å; D161-L163 VanDerWaalsContact C-N 3.32Å; D161-L163 PolarHBondContact O-N 2.93Å; D161-G164 PolarHBondContact O-N 2.88Å; D161-K239 WeakPolarHBondContact OD2-CE 2.95Å; D161-K239 IonicContact OD2-NZ 3.61Å; D161-K239 PolarHBondContact OD2-NZ 3.03Å; D161-M248 HydrophobicContact CB-CE 4.31Å; D161-M248 HydrophobicContact CB-SD 4.41Å |
| 162 | I | 96.3 | Very high | 96.5 | Very high | 51 Ų | 51 | 20.4 Ų | 20.4 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.4 | -68 | 164.1 | 0 | 0 | 0 | 111.7 | M136 L158 T159 G164 V238 | M136-I162 HydrophobicContact CE-CB 4.26Å; M136-I162 HydrophobicContact CE-CG2 3.52Å; L158-I162 HydrophobicContact CD1-CD1 4Å; L158-I162 HydrophobicContact CD1-CG1 4.3Å; L158-I162 HydrophobicContact CG-CD1 3.92Å; L158-I162 VanDerWaalsContact O-CG1 3.28Å; L158-I162 WeakPolarHBondContact O-CG1 3.48Å; L158-I162 PolarHBondContact O-N 3.14Å; T159-I162 PolarHBondContact O-N 3.44Å; I162-G164 VanDerWaalsContact C-N 3.33Å; I162-V238 HydrophobicContact CD1-CG1 4.08Å |
| 163 | L | 97.2 | Very high | 96.7 | Very high | 34 Ų | 34 | 18.7 Ų | 18.7 | 18% | 0.178 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -79.7 | -16.3 | 178.4 | -63.4 | 179 | 0 | 0 | 0 | 112.7 | L25 M136 L139 K140 T159 A160 D161 I165 | L25-L163 HydrophobicContact CD2-CD1 3.72Å; M136-L163 HydrophobicContact CE-CD2 4.23Å; L139-L163 HydrophobicContact CB-CD1 4.29Å; L139-L163 HydrophobicContact CB-CD2 4.06Å; K140-L163 HydrophobicContact CB-CD2 4.4Å; K140-L163 HydrophobicContact CG-CD2 3.68Å; T159-L163 HydrophobicContact CG2-CD1 3.85Å; T159-L163 HydrophobicContact CG2-CG 4.22Å; T159-L163 WeakPolarHBondContact O-CB 3.3Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.4Å; T159-L163 PolarHBondContact O-N 3.18Å; A160-L163 PolarHBondContact O-N 3.42Å; D161-L163 VanDerWaalsContact C-N 3.32Å; D161-L163 PolarHBondContact O-N 2.93Å; L163-I165 HydrophobicContact CB-CD1 4.07Å; L163-I165 HydrophobicContact CB-CG1 4.01Å; L163-I165 HydrophobicContact CB-CG2 4.21Å; L163-I165 HydrophobicContact CD1-CD1 3.89Å |
| 164 | G | 96.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 17.9 Ų | 17.9 | 69% | 0.691 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 31.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A160 D161 I162 | A160-G164 PolarHBondContact O-N 2.72Å; D161-G164 PolarHBondContact O-N 2.88Å; I162-G164 VanDerWaalsContact C-N 3.33Å |
| 165 | I | 97.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 19.8 Ų | 19.8 | 14% | 0.138 | 12% | 0.119 | C | C | . | . | trans | -113.7 | 150 | -174.9 | 65 | -178.2 | 0 | 0 | 0 | 112.2 | Y144 L147 A160 L163 | Y144-I165 VanDerWaalsContact O-CG2 3.23Å; Y144-I165 WeakPolarHBondContact O-CG2 3.37Å; L147-I165 HydrophobicContact CB-CD1 3.89Å; L147-I165 HydrophobicContact CB-CG1 4.24Å; A160-I165 HydrophobicContact CB-CG1 4.36Å; A160-I165 PolarHBondContact O-N 3.14Å; L163-I165 HydrophobicContact CB-CD1 4.07Å; L163-I165 HydrophobicContact CB-CG1 4.01Å; L163-I165 HydrophobicContact CB-CG2 4.21Å; L163-I165 HydrophobicContact CD1-CD1 3.89Å | ||
| 166 | P | 98.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 14% | 0.136 | 12% | 0.119 | C | C | . | . | trans | -56.1 | 152.8 | 173.1 | -26.7 | 35.2 | 0 | 0 | 0 | 113.8 | D145 V146 L147 D253 T466 | D145-P166 WeakPolarHBondContact O-CD 3.42Å; V146-P166 HydrophobicContact CG2-CB 4.32Å; L147-P166 PolarHBondContact N-O 2.76Å; P166-D253 WeakPolarHBondContact CA-OD2 3.36Å; P166-D253 VanDerWaalsContact CB-OD2 3.29Å; P166-D253 WeakPolarHBondContact CB-OD2 3.16Å; P166-T466 HydrophobicContact CB-CG2 3.37Å; P166-T466 HydrophobicContact CG-CG2 4.29Å | ||
| 167 | L | 98.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.4 | -176.8 | 177.5 | 61.6 | 0 | 0 | 0 | 111.9 | L147 Y156 D157 A160 L169 V252 D253 I254 | L147-L167 HydrophobicContact CB-CD1 4.13Å; L147-L167 HydrophobicContact CD2-CD1 3.57Å; L147-L167 HydrophobicContact CG-CD1 4.43Å; Y156-L167 HydrophobicContact CD2-CD1 4.05Å; Y156-L167 HydrophobicContact CD2-CD2 3.92Å; Y156-L167 HydrophobicContact CE2-CD2 4.2Å; D157-L167 HydrophobicContact CB-CD2 3.93Å; A160-L167 HydrophobicContact CB-CB 4.19Å; A160-L167 HydrophobicContact CB-CD1 4.38Å; L167-L169 HydrophobicContact CD1-CD2 3.8Å; L167-L169 HydrophobicContact CD2-CD2 4.14Å; L167-L169 HydrophobicContact CG-CD2 3.94Å; L167-L169 HydrophobicContact CG-CG 4.41Å; L167-V252 HydrophobicContact CD2-CG2 3.63Å; L167-V252 HydrophobicContact CG-CG2 4.2Å; L167-D253 PolarHBondContact N-OD2 3.08Å; L167-D253 WeakPolarHBondContact O-CB 3.39Å; L167-D253 PolarHBondContact O-N 3.02Å; L167-I254 PolarHBondContact O-N 3.27Å |
| 168 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.2 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | V146 L147 F148 A149 I254 L256 I463 T466 | V146-V168 HydrophobicContact CG2-CG2 3.86Å; L147-V168 PolarHBondContact O-N 3.19Å; F148-V168 WeakPolarHBondContact CA-O 3.5Å; F148-V168 HydrophobicContact CD2-CB 4.19Å; F148-V168 HydrophobicContact CD2-CG1 4.02Å; F148-V168 WeakPolarHBondContact CD2-O 3.42Å; F148-V168 HydrophobicContact CE2-CG1 4.32Å; A149-V168 PolarHBondContact N-O 3.03Å; V168-I254 WeakPolarHBondContact CA-O 3.17Å; V168-I254 HydrophobicContact CG1-CB 4.15Å; V168-I254 HydrophobicContact CG1-CG2 4.29Å; V168-I254 HydrophobicContact CG2-CB 4.22Å; V168-L256 HydrophobicContact CG1-CD1 3.78Å; V168-L256 HydrophobicContact CG1-CG 3.83Å; V168-I463 HydrophobicContact CB-CG1 4.45Å; V168-I463 HydrophobicContact CG1-CG1 3.97Å; V168-T466 HydrophobicContact CG2-CG2 3.88Å |
| 169 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.5 | 176.7 | -60.3 | -173.3 | 0 | 0 | 0 | 111 | A149 Y156 L167 L249 V252 I254 W255 L256 | A149-L169 HydrophobicContact CB-CD2 4.03Å; A149-L169 CarbonylContact O-C 3.6Å; A149-L169 WeakPolarHBondContact O-CA 3.48Å; Y156-L169 HydrophobicContact CD2-CD2 3.56Å; Y156-L169 HydrophobicContact CE2-CD1 4.05Å; Y156-L169 HydrophobicContact CE2-CD2 3.41Å; Y156-L169 VanDerWaalsContact CE2-CD2 3.41Å; Y156-L169 HydrophobicContact CE2-CG 4.38Å; Y156-L169 HydrophobicContact CG-CD2 4.47Å; L167-L169 HydrophobicContact CD1-CD2 3.8Å; L167-L169 HydrophobicContact CD2-CD2 4.14Å; L167-L169 HydrophobicContact CG-CD2 3.94Å; L167-L169 HydrophobicContact CG-CG 4.41Å; L169-L249 HydrophobicContact CD1-CD2 4.16Å; L169-V252 HydrophobicContact CB-CG1 4.39Å; L169-V252 HydrophobicContact CD1-CB 4.41Å; L169-V252 HydrophobicContact CD1-CG1 3.97Å; L169-V252 HydrophobicContact CD1-CG2 3.55Å; L169-V252 HydrophobicContact CG-CG1 3.77Å; L169-V252 HydrophobicContact CG-CG2 3.93Å; L169-I254 PolarHBondContact N-O 3.46Å; L169-W255 HydrophobicContact CB-CE3 4.48Å; L169-W255 HydrophobicContact CD1-CD2 4.37Å; L169-W255 HydrophobicContact CD1-CE3 3.86Å; L169-W255 HydrophobicContact CD1-CH2 3.82Å; L169-W255 HydrophobicContact CD1-CZ2 4.34Å; L169-W255 HydrophobicContact CD1-CZ3 3.56Å; L169-L256 WeakPolarHBondContact O-CA 3.28Å; L169-L256 WeakPolarHBondContact O-CB 3.48Å; L169-L256 PolarHBondContact O-N 2.78Å |
| 170 | S | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.6 | 156.7 | -171.5 | 0 | 0 | 0 | 0 | 107.6 | A149 D150 P151 L256 R258 | A149-S170 PolarHBondContact O-N 3.05Å; D150-S170 WeakPolarHBondContact CA-O 3.36Å; P151-S170 WeakPolarHBondContact CD-O 3.24Å; S170-L256 CarbonylContact C-O 3.6Å; S170-L256 WeakPolarHBondContact CA-O 3.16Å; S170-R258 PolarHBondContact O-NH1 2.91Å; S170-R258 WeakPolarHBondContact OG-CD 3.4Å; S170-R258 WeakPolarHBondContact OG-CG 3.42Å; S170-R258 PolarHBondContact OG-NH1 2.8Å |
| 171 | L | 96.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.4 | -177 | 177.1 | 67.8 | 0 | 0 | 0 | 110.6 | P151 F173 W179 E180 W255 L256 M257 R258 | P151-L171 HydrophobicContact CG-CB 4.2Å; P151-L171 HydrophobicContact CG-CD1 3.44Å; P151-L171 VanDerWaalsContact CG-CD1 3.44Å; P151-L171 HydrophobicContact CG-CG 4.36Å; L171-F173 WeakPolarHBondContact CD1-O 3.46Å; L171-W179 HydrophobicContact CD1-CE3 4.34Å; L171-W179 HydrophobicContact CD1-CZ3 4.48Å; L171-E180 HydrophobicContact CD2-CG 3.79Å; L171-W255 HydrophobicContact CD2-CE3 3.91Å; L171-W255 HydrophobicContact CD2-CZ3 3.82Å; L171-L256 PolarHBondContact N-O 3.41Å; L171-M257 HydrophobicContact CB-CE 4.48Å; L171-M257 HydrophobicContact CB-SD 4.24Å; L171-M257 HydrophobicContact CD2-CE 4.15Å; L171-M257 HydrophobicContact CD2-SD 4.23Å; L171-M257 HydrophobicContact CG-CE 4.21Å; L171-M257 HydrophobicContact CG-SD 4.46Å; L171-M257 CarbonylContact O-C 3.54Å; L171-M257 VanDerWaalsContact O-CA 3.24Å; L171-M257 WeakPolarHBondContact O-CA 3.33Å; L171-R258 PolarHBondContact O-N 3.37Å |
| 172 | R | 94.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -87.4 | -51 | 170.7 | 174.1 | 45.3 | -166.7 | 97.9 | 3.9 | 111.9 | R258 T259 F263 T376 N401 | R172-R258 HydrophobicContact CB-CB 4.29Å; R172-T259 VanDerWaalsContact CD-CG2 3.49Å; R172-F263 VanDerWaalsContact NH2-CE1 3.32Å; R172-T376 PolarHBondContact NE-OG1 3.34Å; R172-N401 PolarHBondContact NH2-OD1 3.42Å |
| 173 | F | 95.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 22.8 Ų | 22.8 | 20% | 0.197 | 13% | 0.126 | C | C | . | . | trans | -168 | 161.4 | 167.2 | 62.7 | -90.4 | 0 | 0 | 0 | 108.1 | L171 E180 A196 M197 D397 | L171-F173 WeakPolarHBondContact CD1-O 3.46Å; F173-E180 VanDerWaalsContact CA-OE1 3.3Å; F173-E180 WeakPolarHBondContact CA-OE1 3.34Å; F173-A196 HydrophobicContact CB-CB 4.06Å; F173-A196 HydrophobicContact CD2-CB 3.72Å; F173-A196 HydrophobicContact CG-CB 4Å; F173-M197 HydrophobicContact CE2-CG 3.82Å; F173-M197 HydrophobicContact CE2-SD 3.86Å; F173-M197 HydrophobicContact CZ-CG 4.28Å; F173-M197 HydrophobicContact CZ-SD 3.71Å; F173-D397 HydrophobicContact CE1-CB 3.43Å; F173-D397 VanDerWaalsContact CE1-CB 3.43Å; F173-D397 HydrophobicContact CZ-CB 3.57Å | ||
| 174 | S | 95.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | trans | -105.3 | 157.4 | 153.8 | 73.5 | 0 | 0 | 0 | 0 | 110.2 | A176 H177 H178 W179 E180 | S174-A176 PolarHBondContact O-N 3.06Å; S174-H177 VanDerWaalsContact O-CA 3.3Å; S174-H177 WeakPolarHBondContact O-CA 3.42Å; S174-H177 PolarHBondContact O-N 3.07Å; S174-H177 VanDerWaalsContact OG-C 3.32Å; S174-H178 PolarHBondContact OG-N 3.21Å; S174-W179 PolarHBondContact OG-N 3.06Å; S174-E180 WeakPolarHBondContact CB-OE2 3.48Å; S174-E180 PolarHBondContact N-OE1 3.21Å; S174-E180 VanDerWaalsContact N-OE1 3.15Å; S174-E180 PolarHBondContact N-OE2 3.23Å; S174-E180 PolarHBondContact OG-OE2 2.99Å | ||
| 175 | L | 94.6 | Very high | 96.1 | Very high | 54 Ų | 54 | 19.5 Ų | 19.5 | 28% | 0.283 | 9% | 0.092 | S | C | . | . | G | 310 helix | trans | -54.2 | 129.4 | -177 | -179.2 | 61.5 | 0 | 0 | 0 | 110.5 | H177 H178 M197 F215 Q219 I223 | L175-H177 PolarHBondContact O-N 3.22Å; L175-H177 VanDerWaalsContact O-N 3.09Å; L175-H178 VanDerWaalsContact O-CB 3.27Å; L175-H178 WeakPolarHBondContact O-CB 3.4Å; L175-H178 PolarHBondContact O-N 2.67Å; L175-M197 HydrophobicContact CD1-CB 3.75Å; L175-M197 HydrophobicContact CD1-CG 3.66Å; L175-F215 HydrophobicContact CD1-CZ 4.49Å; L175-Q219 HydrophobicContact CD2-CG 4.35Å; L175-Q219 HydrophobicContact CG-CB 4.45Å; L175-Q219 HydrophobicContact CG-CG 4.1Å; L175-I223 HydrophobicContact CB-CD1 3.96Å; L175-I223 HydrophobicContact CD2-CD1 4.3Å; L175-I223 HydrophobicContact CG-CD1 4.26Å |
| 176 | A | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | 49.3 | 31 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S174 H178 R181 A195 A196 F215 Y216 Q219 | S174-A176 PolarHBondContact O-N 3.06Å; A176-H178 PolarHBondContact O-N 2.73Å; A176-H178 VanDerWaalsContact O-N 3.07Å; A176-R181 PolarHBondContact O-NE 3.31Å; A176-A195 HydrophobicContact CB-CB 4.02Å; A176-A196 PolarHBondContact N-O 3.23Å; A176-F215 HydrophobicContact CB-CD1 4.35Å; A176-F215 HydrophobicContact CB-CE1 4.3Å; A176-Y216 HydrophobicContact CB-CD1 3.87Å; A176-Y216 HydrophobicContact CB-CE1 4.26Å; A176-Y216 WeakPolarHBondContact O-CD1 3.07Å; A176-Y216 WeakPolarHBondContact O-CE1 3.46Å; A176-Q219 HydrophobicContact CB-CB 3.64Å; A176-Q219 HydrophobicContact CB-CG 3.9Å |
| 177 | H | 96.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.051 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | 51 | 29.7 | -174.3 | -58.2 | -56.7 | 0 | 0 | 0 | 113.6 | S174 L175 W179 E180 R181 R267 | S174-H177 VanDerWaalsContact O-CA 3.3Å; S174-H177 WeakPolarHBondContact O-CA 3.42Å; S174-H177 PolarHBondContact O-N 3.07Å; S174-H177 VanDerWaalsContact OG-C 3.32Å; L175-H177 PolarHBondContact O-N 3.22Å; L175-H177 VanDerWaalsContact O-N 3.09Å; H177-W179 PolarHBondContact O-N 2.95Å; H177-E180 WeakPolarHBondContact CA-OE2 3.49Å; H177-E180 HydrophobicContact CB-CB 4.38Å; H177-E180 IonicContact CG-OE1 3.92Å; H177-E180 IonicContact ND1-OE1 3.33Å; H177-E180 PolarHBondContact ND1-OE1 3.1Å; H177-E180 VanDerWaalsContact ND1-OE1 3.1Å; H177-E180 PolarHBondContact O-N 2.81Å; H177-R181 HydrophobicContact CB-CG 3.97Å; H177-R181 WeakPolarHBondContact O-CB 3.34Å; H177-R181 WeakPolarHBondContact O-CG 3.47Å; H177-R181 PolarHBondContact O-N 3.08Å; H177-R267 PolarHBondContact CE1-NH1 2.99Å; H177-R267 PolarHBondContact ND1-NH1 2.94Å; H177-R267 PolarHBondContact NE2-NH1 2.85Å; H177-R267 VanDerWaalsContact NE2-NH1 3.15Å |
| 178 | H | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.2 | -52.8 | -172.9 | -179.3 | -84.5 | 0 | 0 | 0 | 112.8 | S174 L175 A176 M182 D220 I223 | S174-H178 PolarHBondContact OG-N 3.21Å; L175-H178 VanDerWaalsContact O-CB 3.27Å; L175-H178 WeakPolarHBondContact O-CB 3.4Å; L175-H178 PolarHBondContact O-N 2.67Å; A176-H178 PolarHBondContact O-N 2.73Å; A176-H178 VanDerWaalsContact O-N 3.07Å; H178-M182 WeakPolarHBondContact O-CA 2.93Å; H178-M182 WeakPolarHBondContact O-CB 3.36Å; H178-M182 WeakPolarHBondContact O-CG 3.39Å; H178-M182 PolarHBondContact O-N 3.24Å; H178-D220 IonicContact CD2-OD1 2.69Å; H178-D220 PolarHBondContact CD2-OD1 3.38Å; H178-I223 HydrophobicContact CB-CD1 3.53Å |
| 179 | W | 95.7 | Very high | 95.6 | Very high | 46 Ų | 46 | 21.3 Ų | 21.3 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -64.1 | -45.2 | 178.2 | -63.9 | -19.1 | 0 | 0 | 0 | 112.2 | P151 L171 S174 H177 R181 C183 G184 L249 | P151-W179 HydrophobicContact CB-CE3 4.36Å; P151-W179 HydrophobicContact CB-CH2 4.39Å; P151-W179 HydrophobicContact CB-CZ3 3.66Å; P151-W179 HydrophobicContact CG-CE3 4.37Å; P151-W179 HydrophobicContact CG-CZ3 3.85Å; P151-W179 VanDerWaalsContact O-CH2 3.3Å; P151-W179 WeakPolarHBondContact O-CH2 3.42Å; P151-W179 WeakPolarHBondContact O-CZ3 3.45Å; L171-W179 HydrophobicContact CD1-CE3 4.34Å; L171-W179 HydrophobicContact CD1-CZ3 4.48Å; S174-W179 PolarHBondContact OG-N 3.06Å; H177-W179 PolarHBondContact O-N 2.95Å; W179-R181 PolarHBondContact O-N 3.09Å; W179-C183 CarbonylContact O-C 3.55Å; W179-C183 WeakPolarHBondContact O-CA 2.95Å; W179-C183 WeakPolarHBondContact O-CB 2.9Å; W179-C183 PolarHBondContact O-N 3.41Å; W179-C183 VanDerWaalsContact O-N 3.08Å; W179-G184 PolarHBondContact O-N 2.89Å; W179-L249 HydrophobicContact CB-CD1 4.24Å; W179-L249 HydrophobicContact CD2-CD1 4.25Å; W179-L249 HydrophobicContact CG-CD1 3.94Å |
| 180 | E | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -61 | -47 | 179.8 | -57.6 | 95.2 | 120.9 | 0 | 0 | 111.2 | L171 F173 S174 H177 G184 Q185 L186 M257 F273 | L171-E180 HydrophobicContact CD2-CG 3.79Å; F173-E180 VanDerWaalsContact CA-OE1 3.3Å; F173-E180 WeakPolarHBondContact CA-OE1 3.34Å; S174-E180 WeakPolarHBondContact CB-OE2 3.48Å; S174-E180 PolarHBondContact N-OE1 3.21Å; S174-E180 VanDerWaalsContact N-OE1 3.15Å; S174-E180 PolarHBondContact N-OE2 3.23Å; S174-E180 PolarHBondContact OG-OE2 2.99Å; H177-E180 WeakPolarHBondContact CA-OE2 3.49Å; H177-E180 HydrophobicContact CB-CB 4.38Å; H177-E180 IonicContact CG-OE1 3.92Å; H177-E180 IonicContact ND1-OE1 3.33Å; H177-E180 PolarHBondContact ND1-OE1 3.1Å; H177-E180 VanDerWaalsContact ND1-OE1 3.1Å; H177-E180 PolarHBondContact O-N 2.81Å; E180-G184 CarbonylContact O-C 3.59Å; E180-G184 VanDerWaalsContact O-CA 3.24Å; E180-G184 WeakPolarHBondContact O-CA 3.36Å; E180-G184 PolarHBondContact O-N 2.99Å; E180-Q185 PolarHBondContact O-N 2.05Å; E180-L186 HydrophobicContact CB-CB 4.11Å; E180-L186 HydrophobicContact CB-CD2 4Å; E180-L186 WeakPolarHBondContact O-CB 3.29Å; E180-L186 PolarHBondContact O-N 3.5Å; E180-M257 HydrophobicContact CG-CE 4.11Å; E180-M257 HydrophobicContact CG-SD 4.4Å; E180-F273 HydrophobicContact CB-CE1 4.11Å; E180-F273 HydrophobicContact CB-CZ 4.48Å; E180-F273 HydrophobicContact CG-CE1 4.09Å |
| 181 | R | 95.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 26.6 Ų | 26.6 | 17% | 0.174 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -77.3 | -54.4 | -178.3 | -65 | -179.9 | -35 | 104.5 | 0.9 | 112.7 | A176 H177 W179 Q185 L186 A188 D220 | A176-R181 PolarHBondContact O-NE 3.31Å; H177-R181 HydrophobicContact CB-CG 3.97Å; H177-R181 WeakPolarHBondContact O-CB 3.34Å; H177-R181 WeakPolarHBondContact O-CG 3.47Å; H177-R181 PolarHBondContact O-N 3.08Å; W179-R181 PolarHBondContact O-N 3.09Å; R181-Q185 VanDerWaalsContact O-CA 3.26Å; R181-Q185 WeakPolarHBondContact O-CA 3.49Å; R181-Q185 PolarHBondContact O-N 2.92Å; R181-L186 WeakPolarHBondContact CA-O 3.5Å; R181-A188 HydrophobicContact CG-CB 3.67Å; R181-D220 IonicContact CZ-OD2 2.74Å; R181-D220 IonicContact NH2-OD1 3.74Å; R181-D220 PolarHBondContact NH2-OD1 3.1Å; R181-D220 IonicContact NH2-OD2 3.11Å; R181-D220 PolarHBondContact NH2-OD2 3.15Å |
| 182 | M | 93 | Very high | 95.5 | Very high | 79 Ų | 79 | 30 Ų | 30 | 39% | 0.389 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -80.1 | -41.7 | -168.1 | -57.7 | -61.3 | -72.4 | 0 | 0 | 111.5 | H178 Q185 | H178-M182 WeakPolarHBondContact O-CA 2.93Å; H178-M182 WeakPolarHBondContact O-CB 3.36Å; H178-M182 WeakPolarHBondContact O-CG 3.39Å; H178-M182 PolarHBondContact O-N 3.24Å; M182-Q185 PolarHBondContact O-NE2 3.26Å; M182-Q185 VanDerWaalsContact O-NE2 3.1Å |
| 183 | C | 94 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -94.8 | -44.7 | -178.8 | -39.2 | 0 | 0 | 0 | 0 | 111.7 | W179 C246 L249 R250 H480 | W179-C183 CarbonylContact O-C 3.55Å; W179-C183 WeakPolarHBondContact O-CA 2.95Å; W179-C183 WeakPolarHBondContact O-CB 2.9Å; W179-C183 PolarHBondContact O-N 3.41Å; W179-C183 VanDerWaalsContact O-N 3.08Å; C183-C246 HydrophobicContact CB-CB 3.95Å; C183-C246 WeakPolarHBondContact CB-SG 3.47Å; C183-C246 WeakPolarHBondContact SG-CA 3.36Å; C183-C246 WeakPolarHBondContact SG-CB 3.21Å; C183-C246 CovalentContact SG-SG 2.05Å; C183-C246 PolarHBondContact SG-SG 2.82Å; C183-L249 HydrophobicContact CB-CB 3.62Å; C183-L249 HydrophobicContact CB-CD1 4.11Å; C183-R250 WeakPolarHBondContact O-CG 3.25Å; C183-H480 PolarHBondContact O-CE1 3.48Å |
| 184 | G | 95 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W179 E180 L186 | W179-G184 PolarHBondContact O-N 2.89Å; E180-G184 CarbonylContact O-C 3.59Å; E180-G184 VanDerWaalsContact O-CA 3.24Å; E180-G184 WeakPolarHBondContact O-CA 3.36Å; E180-G184 PolarHBondContact O-N 2.99Å; G184-L186 PolarHBondContact O-N 3.15Å; G184-L186 VanDerWaalsContact O-N 3.14Å |
| 185 | Q | 94.8 | Very high | 95.8 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 15% | 0.145 | 15% | 0.146 | C | C | . | . | trans | 60.1 | 16.2 | 178.9 | -59.2 | -65.1 | -44.9 | 0 | 0 | 115.3 | E180 R181 M182 P187 L270 V477 A479 H480 | E180-Q185 PolarHBondContact O-N 2.05Å; R181-Q185 VanDerWaalsContact O-CA 3.26Å; R181-Q185 WeakPolarHBondContact O-CA 3.49Å; R181-Q185 PolarHBondContact O-N 2.92Å; M182-Q185 PolarHBondContact O-NE2 3.26Å; M182-Q185 VanDerWaalsContact O-NE2 3.1Å; Q185-P187 WeakPolarHBondContact O-CD 3.2Å; Q185-L270 HydrophobicContact CB-CD1 4.48Å; Q185-L270 WeakPolarHBondContact O-CD1 3.48Å; Q185-V477 HydrophobicContact CB-CG2 3.97Å; Q185-A479 HydrophobicContact CB-CB 4.06Å; Q185-A479 HydrophobicContact CG-CB 4.13Å; Q185-H480 WeakPolarHBondContact CG-CE1 3.47Å; Q185-H480 WeakPolarHBondContact CG-ND1 3.3Å | ||
| 186 | L | 95.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | trans | -64.7 | 121.4 | 174.6 | -175.2 | 69.6 | 0 | 0 | 0 | 109.5 | E180 R181 G184 A188 L270 F273 | E180-L186 HydrophobicContact CB-CB 4.11Å; E180-L186 HydrophobicContact CB-CD2 4Å; E180-L186 WeakPolarHBondContact O-CB 3.29Å; E180-L186 PolarHBondContact O-N 3.5Å; R181-L186 WeakPolarHBondContact CA-O 3.5Å; G184-L186 PolarHBondContact O-N 3.15Å; G184-L186 VanDerWaalsContact O-N 3.14Å; L186-A188 PolarHBondContact O-N 3.29Å; L186-L270 HydrophobicContact CD1-CB 4.32Å; L186-L270 HydrophobicContact CD1-CG 4Å; L186-F273 HydrophobicContact CB-CE1 4.04Å; L186-F273 HydrophobicContact CB-CE2 4.17Å; L186-F273 HydrophobicContact CB-CZ 3.84Å; L186-F273 HydrophobicContact CD1-CB 4.42Å; L186-F273 HydrophobicContact CD1-CD1 4.19Å; L186-F273 HydrophobicContact CD1-CD2 4.24Å; L186-F273 HydrophobicContact CD1-CG 4.03Å; L186-F273 HydrophobicContact CD2-CD1 3.85Å; L186-F273 HydrophobicContact CD2-CE1 3.86Å; L186-F273 HydrophobicContact CG-CD1 4.42Å; L186-F273 HydrophobicContact CG-CE1 4.37Å | ||
| 187 | P | 95.1 | Very high | 95.9 | Very high | 37 Ų | 37 | 27.5 Ų | 27.5 | 24% | 0.24 | 15% | 0.148 | C | C | . | . | trans | -67.3 | 130 | -179.6 | -17.5 | 29.7 | 0 | 0 | 0 | 111.4 | Q185 P268 L270 | Q185-P187 WeakPolarHBondContact O-CD 3.2Å; P187-P268 HydrophobicContact CB-CB 3.94Å; P187-P268 HydrophobicContact CB-CG 4.32Å; P187-P268 HydrophobicContact CG-CB 4.21Å; P187-L270 HydrophobicContact CG-CD2 4.5Å | ||
| 188 | A | 96.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | trans | -132.8 | 85.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | R181 L186 P190 V193 | R181-A188 HydrophobicContact CG-CB 3.67Å; L186-A188 PolarHBondContact O-N 3.29Å; A188-P190 WeakPolarHBondContact O-CD 3.43Å; A188-V193 HydrophobicContact CB-CB 4.14Å; A188-V193 HydrophobicContact CB-CG1 3.85Å | ||
| 189 | P | 96.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 32.8 Ų | 32.8 | 26% | 0.26 | 17% | 0.172 | S | C | . | . | trans | -61.3 | 119.8 | 177.9 | -23.6 | 34.7 | 0 | 0 | 0 | 110.6 | S191 F192 V193 P268 | P189-S191 PolarHBondContact O-N 3.31Å; P189-F192 HydrophobicContact CB-CD1 4.08Å; P189-F192 HydrophobicContact CB-CE1 3.6Å; P189-F192 HydrophobicContact CB-CZ 4.25Å; P189-F192 HydrophobicContact CG-CE1 3.71Å; P189-F192 HydrophobicContact CG-CZ 3.93Å; P189-F192 PolarHBondContact O-N 2.78Å; P189-V193 WeakPolarHBondContact O-CB 3.44Å; P189-V193 PolarHBondContact O-N 3.18Å; P189-P268 HydrophobicContact CG-CG 4.31Å | ||
| 190 | P | 96.7 | Very high | 96 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 32% | 0.318 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -7.4 | -174.6 | 29 | -36.7 | 0 | 0 | 0 | 113.2 | A188 F192 N212 V213 Y216 | A188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-F192 VanDerWaalsContact C-N 3.31Å; P190-N212 PolarHBondContact O-ND2 3.48Å; P190-V213 HydrophobicContact CB-CG2 3.82Å; P190-V213 HydrophobicContact CG-CG2 3.99Å; P190-Y216 HydrophobicContact CB-CD2 3.77Å; P190-Y216 HydrophobicContact CB-CE2 3.8Å |
| 191 | S | 96.2 | Very high | 96 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 44% | 0.441 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.3 | 175.5 | 53 | 0 | 0 | 0 | 0 | 113.8 | P189 R209 | P189-S191 PolarHBondContact O-N 3.31Å; S191-R209 VanDerWaalsContact O-CD 3.3Å; S191-R209 WeakPolarHBondContact O-CD 3.28Å |
| 192 | F | 96.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 34% | 0.342 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | -12 | 179.8 | 71.7 | -92 | 0 | 0 | 0 | 114.6 | P189 P190 P194 D202 P268 | P189-F192 HydrophobicContact CB-CD1 4.08Å; P189-F192 HydrophobicContact CB-CE1 3.6Å; P189-F192 HydrophobicContact CB-CZ 4.25Å; P189-F192 HydrophobicContact CG-CE1 3.71Å; P189-F192 HydrophobicContact CG-CZ 3.93Å; P189-F192 PolarHBondContact O-N 2.78Å; P190-F192 VanDerWaalsContact C-N 3.31Å; F192-P194 VanDerWaalsContact O-CD 3.28Å; F192-P194 WeakPolarHBondContact O-CD 3.41Å; F192-D202 VanDerWaalsContact O-CA 3.29Å; F192-D202 WeakPolarHBondContact O-CA 3.45Å; F192-P268 HydrophobicContact CZ-CG 4.23Å |
| 193 | V | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -93.4 | 106 | 172.4 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | A188 P189 N212 Y216 R267 | A188-V193 HydrophobicContact CB-CB 4.14Å; A188-V193 HydrophobicContact CB-CG1 3.85Å; P189-V193 WeakPolarHBondContact O-CB 3.44Å; P189-V193 PolarHBondContact O-N 3.18Å; V193-N212 PolarHBondContact O-ND2 3.49Å; V193-Y216 PolarHBondContact O-OH 2.89Å; V193-R267 HydrophobicContact CG1-CB 4.43Å; V193-R267 HydrophobicContact CG2-CB 3.83Å |
| 194 | P | 97.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 138.9 | 177.7 | 28.2 | -34.7 | 0 | 0 | 0 | 109.7 | F192 A196 L200 Y216 F265 | F192-P194 VanDerWaalsContact O-CD 3.28Å; F192-P194 WeakPolarHBondContact O-CD 3.41Å; P194-A196 PolarHBondContact O-N 3.06Å; P194-L200 HydrophobicContact CB-CB 3.73Å; P194-Y216 PolarHBondContact O-OH 3.45Å; P194-F265 HydrophobicContact CG-CD2 4.06Å |
| 195 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 132.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A176 M197 S198 N212 F215 Y216 | A176-A195 HydrophobicContact CB-CB 4.02Å; A195-M197 PolarHBondContact O-N 3.47Å; A195-S198 WeakPolarHBondContact O-CB 3.5Å; A195-S198 PolarHBondContact O-N 3.36Å; A195-S198 PolarHBondContact O-OG 2.98Å; A195-N212 WeakPolarHBondContact CB-OD1 3.36Å; A195-N212 PolarHBondContact N-OD1 3.32Å; A195-F215 HydrophobicContact CB-CD1 3.55Å; A195-F215 HydrophobicContact CB-CE1 4.07Å; A195-Y216 WeakPolarHBondContact CA-OH 3.2Å; A195-Y216 HydrophobicContact CB-CD1 4.05Å; A195-Y216 HydrophobicContact CB-CD2 3.96Å; A195-Y216 HydrophobicContact CB-CE1 3.81Å; A195-Y216 HydrophobicContact CB-CE2 3.71Å; A195-Y216 HydrophobicContact CB-CG 4.13Å; A195-Y216 PolarHBondContact N-OH 2.95Å |
| 196 | A | 96.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 132.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F173 A176 P194 S198 | F173-A196 HydrophobicContact CB-CB 4.06Å; F173-A196 HydrophobicContact CD2-CB 3.72Å; F173-A196 HydrophobicContact CG-CB 4Å; A176-A196 PolarHBondContact N-O 3.23Å; P194-A196 PolarHBondContact O-N 3.06Å; A196-S198 VanDerWaalsContact C-N 3.32Å |
| 197 | M | 95.4 | Very high | 96.9 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 27% | 0.271 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.1 | -177.2 | -48.7 | -81.1 | -65.3 | 0 | 0 | 115.9 | F173 L175 A195 K199 A396 D397 | F173-M197 HydrophobicContact CE2-CG 3.82Å; F173-M197 HydrophobicContact CE2-SD 3.86Å; F173-M197 HydrophobicContact CZ-CG 4.28Å; F173-M197 HydrophobicContact CZ-SD 3.71Å; L175-M197 HydrophobicContact CD1-CB 3.75Å; L175-M197 HydrophobicContact CD1-CG 3.66Å; A195-M197 PolarHBondContact O-N 3.47Å; M197-K199 VanDerWaalsContact C-N 3.3Å; M197-K199 PolarHBondContact O-N 3.15Å; M197-A396 VanDerWaalsContact CE-C 3.41Å; M197-A396 WeakPolarHBondContact CE-O 3.29Å; M197-D397 WeakPolarHBondContact SD-CA 3.41Å; M197-D397 HydrophobicContact SD-CB 3.84Å |
| 198 | S | 95.9 | Very high | 97 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.6 | -12.9 | 178.1 | 64.4 | 0 | 0 | 0 | 0 | 114 | A195 A196 L200 | A195-S198 WeakPolarHBondContact O-CB 3.5Å; A195-S198 PolarHBondContact O-N 3.36Å; A195-S198 PolarHBondContact O-OG 2.98Å; A196-S198 VanDerWaalsContact C-N 3.32Å; S198-L200 PolarHBondContact O-N 3.04Å; S198-L200 WeakPolarHBondContact OG-CB 2.94Å; S198-L200 PolarHBondContact OG-N 2.91Å |
| 199 | K | 96.5 | Very high | 97.1 | Very high | 118 Ų | 118 | 57.6 Ų | 57.6 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | trans | 60.8 | 24.4 | -173.7 | -50.4 | -179.1 | -165.6 | -178.5 | 0 | 113 | M197 P399 D400 V403 | M197-K199 VanDerWaalsContact C-N 3.3Å; M197-K199 PolarHBondContact O-N 3.15Å; K199-P399 HydrophobicContact CD-CB 4.12Å; K199-D400 VanDerWaalsContact CA-OD1 3.24Å; K199-D400 WeakPolarHBondContact CA-OD1 3.22Å; K199-D400 PolarHBondContact N-OD1 2.87Å; K199-V403 HydrophobicContact CB-CG2 4.15Å | ||
| 200 | L | 97.7 | Very high | 97.2 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | trans | -96.4 | 165.5 | 175.3 | -65.8 | 176.2 | 0 | 0 | 0 | 111.3 | P194 S198 M204 E208 Y211 N212 | P194-L200 HydrophobicContact CB-CB 3.73Å; S198-L200 PolarHBondContact O-N 3.04Å; S198-L200 WeakPolarHBondContact OG-CB 2.94Å; S198-L200 PolarHBondContact OG-N 2.91Å; L200-M204 HydrophobicContact CB-SD 4.32Å; L200-M204 HydrophobicContact CD1-SD 3.78Å; L200-E208 HydrophobicContact CD2-CB 4.05Å; L200-E208 HydrophobicContact CD2-CG 4.02Å; L200-Y211 HydrophobicContact CD1-CD1 3.78Å; L200-Y211 HydrophobicContact CD1-CE1 4.31Å; L200-Y211 HydrophobicContact CD2-CD1 4.39Å; L200-Y211 HydrophobicContact CG-CD1 4.26Å; L200-Y211 HydrophobicContact CG-CE1 4.49Å; L200-N212 HydrophobicContact CD1-CB 3.62Å | ||
| 201 | T | 97.4 | Very high | 97.3 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | trans | -110.9 | 175.5 | 173.2 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | K203 M204 F265 V403 A407 | T201-K203 PolarHBondContact O-N 3.34Å; T201-K203 PolarHBondContact OG1-N 3.46Å; T201-K203 PolarHBondContact OG1-O 3.14Å; T201-M204 VanDerWaalsContact O-CG 3.29Å; T201-M204 WeakPolarHBondContact O-CG 3.01Å; T201-F265 HydrophobicContact CG2-CE2 4.41Å; T201-F265 HydrophobicContact CG2-CZ 3.96Å; T201-V403 HydrophobicContact CG2-CG1 3.91Å; T201-A407 HydrophobicContact CG2-CB 3.87Å | ||
| 202 | D | 96.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -68.9 | -9.5 | 171.7 | 64.1 | -22.3 | 0 | 0 | 0 | 114.1 | F192 F265 | F192-D202 VanDerWaalsContact O-CA 3.29Å; F192-D202 WeakPolarHBondContact O-CA 3.45Å; D202-F265 HydrophobicContact CB-CB 3.77Å; D202-F265 HydrophobicContact CB-CD1 3.98Å; D202-F265 HydrophobicContact CB-CD2 4.37Å; D202-F265 HydrophobicContact CB-CG 3.79Å; D202-F265 VanDerWaalsContact OD1-CD1 3.25Å; D202-F265 WeakPolarHBondContact OD1-CD1 3.48Å; D202-F265 WeakPolarHBondContact OD1-CE1 3.24Å |
| 203 | K | 96.8 | Very high | 97.5 | Very high | 169 Ų | 169 | 59.4 Ų | 59.4 | 74% | 0.735 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -108.9 | 91.3 | 176 | -63.6 | -178.5 | -174.7 | 178.5 | 0 | 110 | T201 | T201-K203 PolarHBondContact O-N 3.34Å; T201-K203 PolarHBondContact OG1-N 3.46Å; T201-K203 PolarHBondContact OG1-O 3.14Å |
| 204 | M | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | trans | -110.3 | 137.5 | -178.9 | -68 | 174.2 | -83.8 | 0 | 0 | 112.3 | L200 T201 E208 R209 N212 | L200-M204 HydrophobicContact CB-SD 4.32Å; L200-M204 HydrophobicContact CD1-SD 3.78Å; T201-M204 VanDerWaalsContact O-CG 3.29Å; T201-M204 WeakPolarHBondContact O-CG 3.01Å; M204-E208 VanDerWaalsContact CA-OE2 3.31Å; M204-E208 WeakPolarHBondContact CA-OE2 3.36Å; M204-E208 HydrophobicContact CB-CB 3.74Å; M204-E208 HydrophobicContact CG-CB 3.93Å; M204-R209 HydrophobicContact CB-CG 3.56Å; M204-R209 HydrophobicContact CE-CG 4.49Å; M204-R209 HydrophobicContact SD-CG 4.29Å; M204-N212 HydrophobicContact SD-CB 3.85Å | ||
| 205 | N | 97.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 64.3 Ų | 64.3 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | trans | -74.7 | -178.5 | 164.2 | 70.1 | 48.7 | 0 | 0 | 0 | 111.4 | S207 E208 R209 | N205-S207 WeakPolarHBondContact OD1-CB 3.38Å; N205-S207 PolarHBondContact OD1-N 3.49Å; N205-E208 PolarHBondContact N-OE2 2.92Å; N205-E208 PolarHBondContact ND2-OE2 3.43Å; N205-E208 PolarHBondContact O-N 3.43Å; N205-E208 PolarHBondContact OD1-N 2.62Å; N205-R209 WeakPolarHBondContact O-CB 3.19Å; N205-R209 VanDerWaalsContact O-CG 3.31Å; N205-R209 WeakPolarHBondContact O-CG 3.25Å; N205-R209 PolarHBondContact O-N 2.83Å | ||
| 206 | F | 98.1 | Very high | 97.4 | Very high | 140 Ų | 140 | 64.8 Ų | 64.8 | 61% | 0.614 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.7 | -46 | -178.6 | 178.6 | -95.7 | 0 | 0 | 0 | 113.2 | E208 R209 L210 | F206-E208 VanDerWaalsContact C-N 3.34Å; F206-E208 PolarHBondContact O-N 3.24Å; F206-R209 PolarHBondContact O-N 2.98Å; F206-L210 HydrophobicContact CE1-CD2 4.49Å; F206-L210 WeakPolarHBondContact O-CB 3.45Å; F206-L210 PolarHBondContact O-N 2.97Å |
| 207 | S | 98.4 | Very high | 97.4 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | N205 L210 Y211 | N205-S207 WeakPolarHBondContact OD1-CB 3.38Å; N205-S207 PolarHBondContact OD1-N 3.49Å; S207-L210 PolarHBondContact O-N 2.97Å; S207-Y211 WeakPolarHBondContact O-CB 3.45Å; S207-Y211 PolarHBondContact O-N 3.45Å |
| 208 | E | 98.3 | Very high | 97.3 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 174.9 | -71.1 | 166.7 | 156.8 | 0 | 0 | 111.6 | L200 M204 N205 F206 Y211 N212 | L200-E208 HydrophobicContact CD2-CB 4.05Å; L200-E208 HydrophobicContact CD2-CG 4.02Å; M204-E208 VanDerWaalsContact CA-OE2 3.31Å; M204-E208 WeakPolarHBondContact CA-OE2 3.36Å; M204-E208 HydrophobicContact CB-CB 3.74Å; M204-E208 HydrophobicContact CG-CB 3.93Å; N205-E208 PolarHBondContact N-OE2 2.92Å; N205-E208 PolarHBondContact ND2-OE2 3.43Å; N205-E208 PolarHBondContact O-N 3.43Å; N205-E208 PolarHBondContact OD1-N 2.62Å; F206-E208 VanDerWaalsContact C-N 3.34Å; F206-E208 PolarHBondContact O-N 3.24Å; E208-Y211 PolarHBondContact O-N 2.93Å; E208-N212 WeakPolarHBondContact O-CB 3.36Å; E208-N212 PolarHBondContact O-N 2.93Å |
| 209 | R | 98.5 | Very high | 97.3 | Very high | 103 Ų | 103 | 68.2 Ų | 68.2 | 39% | 0.389 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.6 | -72.3 | -175.5 | -61.2 | 167 | 2.9 | 112.1 | S191 M204 N205 F206 N212 V213 | S191-R209 VanDerWaalsContact O-CD 3.3Å; S191-R209 WeakPolarHBondContact O-CD 3.28Å; M204-R209 HydrophobicContact CB-CG 3.56Å; M204-R209 HydrophobicContact CE-CG 4.49Å; M204-R209 HydrophobicContact SD-CG 4.29Å; N205-R209 WeakPolarHBondContact O-CB 3.19Å; N205-R209 VanDerWaalsContact O-CG 3.31Å; N205-R209 WeakPolarHBondContact O-CG 3.25Å; N205-R209 PolarHBondContact O-N 2.83Å; F206-R209 PolarHBondContact O-N 2.98Å; R209-N212 PolarHBondContact O-N 2.99Å; R209-V213 WeakPolarHBondContact O-CG2 3.26Å; R209-V213 PolarHBondContact O-N 3.07Å |
| 210 | L | 98.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 64 Ų | 64 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 174.8 | 176.9 | 62 | 0 | 0 | 0 | 110.5 | F206 S207 N212 V213 L214 | F206-L210 HydrophobicContact CE1-CD2 4.49Å; F206-L210 WeakPolarHBondContact O-CB 3.45Å; F206-L210 PolarHBondContact O-N 2.97Å; S207-L210 PolarHBondContact O-N 2.97Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 2.81Å; L210-V213 PolarHBondContact O-N 3.27Å; L210-L214 HydrophobicContact CD1-CD1 4.21Å; L210-L214 HydrophobicContact CD1-CG 4.34Å; L210-L214 HydrophobicContact CG-CD1 4.19Å; L210-L214 WeakPolarHBondContact O-CG 3.13Å; L210-L214 PolarHBondContact O-N 3.34Å |
| 211 | Y | 97.9 | Very high | 96.9 | Very high | 110 Ų | 110 | 67.3 Ų | 67.3 | 43% | 0.431 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 174.6 | 174.7 | -105.2 | 0 | 0 | 0 | 111.6 | L200 S207 E208 V213 L214 F215 | L200-Y211 HydrophobicContact CD1-CD1 3.78Å; L200-Y211 HydrophobicContact CD1-CE1 4.31Å; L200-Y211 HydrophobicContact CD2-CD1 4.39Å; L200-Y211 HydrophobicContact CG-CD1 4.26Å; L200-Y211 HydrophobicContact CG-CE1 4.49Å; S207-Y211 WeakPolarHBondContact O-CB 3.45Å; S207-Y211 PolarHBondContact O-N 3.45Å; E208-Y211 PolarHBondContact O-N 2.93Å; Y211-V213 PolarHBondContact O-N 3.05Å; Y211-L214 PolarHBondContact O-N 2.77Å; Y211-F215 HydrophobicContact CE1-CD2 4.37Å; Y211-F215 HydrophobicContact CE2-CD2 4.43Å; Y211-F215 AromaticContact CZ-CD2 3.85Å; Y211-F215 VanDerWaalsContact O-CB 3.26Å; Y211-F215 WeakPolarHBondContact O-CB 3.4Å; Y211-F215 PolarHBondContact O-N 3.42Å; Y211-F215 WeakPolarHBondContact OH-CD2 3.49Å |
| 212 | N | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 179 | -162.9 | 38.2 | 0 | 0 | 0 | 111.8 | P190 V193 A195 L200 M204 E208 R209 L210 F215 Y216 | P190-N212 PolarHBondContact O-ND2 3.48Å; V193-N212 PolarHBondContact O-ND2 3.49Å; A195-N212 WeakPolarHBondContact CB-OD1 3.36Å; A195-N212 PolarHBondContact N-OD1 3.32Å; L200-N212 HydrophobicContact CD1-CB 3.62Å; M204-N212 HydrophobicContact SD-CB 3.85Å; E208-N212 WeakPolarHBondContact O-CB 3.36Å; E208-N212 PolarHBondContact O-N 2.93Å; R209-N212 PolarHBondContact O-N 2.99Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 2.81Å; N212-F215 PolarHBondContact O-N 3.33Å; N212-Y216 WeakPolarHBondContact O-CD2 3.46Å; N212-Y216 PolarHBondContact O-N 3.34Å |
| 213 | V | 98.1 | Very high | 96.3 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | P190 R209 L210 Y211 F215 Y216 A217 | P190-V213 HydrophobicContact CB-CG2 3.82Å; P190-V213 HydrophobicContact CG-CG2 3.99Å; R209-V213 WeakPolarHBondContact O-CG2 3.26Å; R209-V213 PolarHBondContact O-N 3.07Å; L210-V213 PolarHBondContact O-N 3.27Å; Y211-V213 PolarHBondContact O-N 3.05Å; V213-F215 VanDerWaalsContact C-N 3.31Å; V213-F215 PolarHBondContact O-N 2.93Å; V213-Y216 PolarHBondContact O-N 2.83Å; V213-A217 PolarHBondContact O-N 3.41Å; V213-A217 VanDerWaalsContact O-N 3.08Å |
| 214 | L | 97.5 | Very high | 96 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 55% | 0.55 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 178.2 | -67.8 | 176.1 | 0 | 0 | 0 | 111.9 | L210 Y211 A217 L218 | L210-L214 HydrophobicContact CD1-CD1 4.21Å; L210-L214 HydrophobicContact CD1-CG 4.34Å; L210-L214 HydrophobicContact CG-CD1 4.19Å; L210-L214 WeakPolarHBondContact O-CG 3.13Å; L210-L214 PolarHBondContact O-N 3.34Å; Y211-L214 PolarHBondContact O-N 2.77Å; L214-A217 PolarHBondContact O-N 3.13Å; L214-L218 VanDerWaalsContact O-CB 3.29Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.03Å |
| 215 | F | 96.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 177.4 | -169.3 | -89.2 | 0 | 0 | 0 | 111 | L175 A176 A195 Y211 N212 V213 A217 L218 Q219 | L175-F215 HydrophobicContact CD1-CZ 4.49Å; A176-F215 HydrophobicContact CB-CD1 4.35Å; A176-F215 HydrophobicContact CB-CE1 4.3Å; A195-F215 HydrophobicContact CB-CD1 3.55Å; A195-F215 HydrophobicContact CB-CE1 4.07Å; Y211-F215 HydrophobicContact CE1-CD2 4.37Å; Y211-F215 HydrophobicContact CE2-CD2 4.43Å; Y211-F215 AromaticContact CZ-CD2 3.85Å; Y211-F215 VanDerWaalsContact O-CB 3.26Å; Y211-F215 WeakPolarHBondContact O-CB 3.4Å; Y211-F215 PolarHBondContact O-N 3.42Å; Y211-F215 WeakPolarHBondContact OH-CD2 3.49Å; N212-F215 PolarHBondContact O-N 3.33Å; V213-F215 VanDerWaalsContact C-N 3.31Å; V213-F215 PolarHBondContact O-N 2.93Å; F215-A217 PolarHBondContact O-N 2.83Å; F215-L218 PolarHBondContact O-N 2.79Å; F215-Q219 HydrophobicContact CD1-CG 3.8Å; F215-Q219 HydrophobicContact CE1-CG 3.54Å; F215-Q219 HydrophobicContact CE2-CG 4.47Å; F215-Q219 HydrophobicContact CG-CG 4.4Å; F215-Q219 HydrophobicContact CZ-CG 3.9Å; F215-Q219 WeakPolarHBondContact O-CB 3.32Å; F215-Q219 VanDerWaalsContact O-CG 3.28Å; F215-Q219 WeakPolarHBondContact O-CG 3.31Å; F215-Q219 PolarHBondContact O-N 3.26Å |
| 216 | Y | 97.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.2 | -52.8 | 171.9 | -84.1 | -69.7 | 0 | 0 | 0 | 111.4 | A176 P190 V193 P194 A195 N212 V213 L218 Q219 D220 | A176-Y216 HydrophobicContact CB-CD1 3.87Å; A176-Y216 HydrophobicContact CB-CE1 4.26Å; A176-Y216 WeakPolarHBondContact O-CD1 3.07Å; A176-Y216 WeakPolarHBondContact O-CE1 3.46Å; P190-Y216 HydrophobicContact CB-CD2 3.77Å; P190-Y216 HydrophobicContact CB-CE2 3.8Å; V193-Y216 PolarHBondContact O-OH 2.89Å; P194-Y216 PolarHBondContact O-OH 3.45Å; A195-Y216 WeakPolarHBondContact CA-OH 3.2Å; A195-Y216 HydrophobicContact CB-CD1 4.05Å; A195-Y216 HydrophobicContact CB-CD2 3.96Å; A195-Y216 HydrophobicContact CB-CE1 3.81Å; A195-Y216 HydrophobicContact CB-CE2 3.71Å; A195-Y216 HydrophobicContact CB-CG 4.13Å; A195-Y216 PolarHBondContact N-OH 2.95Å; N212-Y216 WeakPolarHBondContact O-CD2 3.46Å; N212-Y216 PolarHBondContact O-N 3.34Å; V213-Y216 PolarHBondContact O-N 2.83Å; Y216-L218 PolarHBondContact O-N 3.27Å; Y216-Q219 PolarHBondContact O-N 3.32Å; Y216-D220 WeakPolarHBondContact O-CB 3.17Å; Y216-D220 PolarHBondContact O-N 3.49Å |
| 217 | A | 96.1 | Very high | 94 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V213 L214 F215 V221 | V213-A217 PolarHBondContact O-N 3.41Å; V213-A217 VanDerWaalsContact O-N 3.08Å; L214-A217 PolarHBondContact O-N 3.13Å; F215-A217 PolarHBondContact O-N 2.83Å; A217-V221 WeakPolarHBondContact O-CG2 3.3Å; A217-V221 PolarHBondContact O-N 3.49Å |
| 218 | L | 94.2 | Very high | 93.6 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 41% | 0.414 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.8 | 178.8 | 60.8 | 0 | 0 | 0 | 111.4 | Y108 L214 F215 Y216 D220 V221 V222 | Y108-L218 HydrophobicContact CE1-CD2 3.97Å; Y108-L218 HydrophobicContact CE1-CG 4.48Å; Y108-L218 HydrophobicContact CE2-CD2 4.3Å; L214-L218 VanDerWaalsContact O-CB 3.29Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.03Å; F215-L218 PolarHBondContact O-N 2.79Å; Y216-L218 PolarHBondContact O-N 3.27Å; L218-D220 PolarHBondContact O-N 3.2Å; L218-V221 PolarHBondContact O-N 2.83Å; L218-V222 HydrophobicContact CD1-CG2 4.15Å; L218-V222 HydrophobicContact CG-CG2 4.45Å; L218-V222 WeakPolarHBondContact O-CG2 3.21Å; L218-V222 PolarHBondContact O-N 3.27Å |
| 219 | Q | 94.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.9 | -64.6 | -50.7 | -25.8 | 0 | 0 | 112.1 | Y108 L175 A176 F215 Y216 V221 V222 I223 | Y108-Q219 PolarHBondContact OH-NE2 2.51Å; L175-Q219 HydrophobicContact CD2-CG 4.35Å; L175-Q219 HydrophobicContact CG-CB 4.45Å; L175-Q219 HydrophobicContact CG-CG 4.1Å; A176-Q219 HydrophobicContact CB-CB 3.64Å; A176-Q219 HydrophobicContact CB-CG 3.9Å; F215-Q219 HydrophobicContact CD1-CG 3.8Å; F215-Q219 HydrophobicContact CE1-CG 3.54Å; F215-Q219 HydrophobicContact CE2-CG 4.47Å; F215-Q219 HydrophobicContact CG-CG 4.4Å; F215-Q219 HydrophobicContact CZ-CG 3.9Å; F215-Q219 WeakPolarHBondContact O-CB 3.32Å; F215-Q219 VanDerWaalsContact O-CG 3.28Å; F215-Q219 WeakPolarHBondContact O-CG 3.31Å; F215-Q219 PolarHBondContact O-N 3.26Å; Y216-Q219 PolarHBondContact O-N 3.32Å; Q219-V221 VanDerWaalsContact C-N 3.31Å; Q219-V221 PolarHBondContact O-N 3.29Å; Q219-V222 PolarHBondContact O-N 3.41Å; Q219-I223 HydrophobicContact CB-CD1 4.29Å; Q219-I223 VanDerWaalsContact O-CB 3.32Å; Q219-I223 WeakPolarHBondContact O-CB 3.41Å; Q219-I223 WeakPolarHBondContact O-CD1 3.5Å; Q219-I223 WeakPolarHBondContact O-CG1 3.4Å; Q219-I223 PolarHBondContact O-N 2.72Å |
| 220 | D | 94.5 | Very high | 92.9 | Very high | 29 Ų | 29 | 56 Ų | 56 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 176.1 | -69.7 | -11 | 0 | 0 | 0 | 111.3 | H178 R181 Y216 L218 T224 | H178-D220 IonicContact CD2-OD1 2.69Å; H178-D220 PolarHBondContact CD2-OD1 3.38Å; R181-D220 IonicContact CZ-OD2 2.74Å; R181-D220 IonicContact NH2-OD1 3.74Å; R181-D220 PolarHBondContact NH2-OD1 3.1Å; R181-D220 IonicContact NH2-OD2 3.11Å; R181-D220 PolarHBondContact NH2-OD2 3.15Å; Y216-D220 WeakPolarHBondContact O-CB 3.17Å; Y216-D220 PolarHBondContact O-N 3.49Å; L218-D220 PolarHBondContact O-N 3.2Å; D220-T224 VanDerWaalsContact O-CB 3.26Å; D220-T224 WeakPolarHBondContact O-CB 3.41Å; D220-T224 PolarHBondContact O-N 3.22Å; D220-T224 VanDerWaalsContact O-N 3.13Å; D220-T224 PolarHBondContact O-OG1 3.13Å |
| 221 | V | 92.5 | Very high | 92.7 | Very high | 87 Ų | 87 | 52 Ų | 52 | 53% | 0.527 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | A217 L218 Q219 I223 T224 Q225 | A217-V221 WeakPolarHBondContact O-CG2 3.3Å; A217-V221 PolarHBondContact O-N 3.49Å; L218-V221 PolarHBondContact O-N 2.83Å; Q219-V221 VanDerWaalsContact C-N 3.31Å; Q219-V221 PolarHBondContact O-N 3.29Å; V221-I223 PolarHBondContact O-N 3.27Å; V221-T224 PolarHBondContact O-N 3.2Å; V221-Q225 HydrophobicContact CG1-CG 4.22Å; V221-Q225 WeakPolarHBondContact O-CB 3.39Å; V221-Q225 VanDerWaalsContact O-CG 3.27Å; V221-Q225 WeakPolarHBondContact O-CG 3.3Å; V221-Q225 PolarHBondContact O-N 3.31Å |
| 222 | V | 89.8 | Confident | 92.6 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | -176 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | I112 L218 Q219 Q225 F226 | I112-V222 HydrophobicContact CG1-CG1 4.36Å; L218-V222 HydrophobicContact CD1-CG2 4.15Å; L218-V222 HydrophobicContact CG-CG2 4.45Å; L218-V222 WeakPolarHBondContact O-CG2 3.21Å; L218-V222 PolarHBondContact O-N 3.27Å; Q219-V222 PolarHBondContact O-N 3.41Å; V222-Q225 PolarHBondContact O-N 2.96Å; V222-F226 HydrophobicContact CB-CD2 4.49Å; V222-F226 HydrophobicContact CG1-CD2 4.23Å; V222-F226 WeakPolarHBondContact O-CB 3.44Å; V222-F226 WeakPolarHBondContact O-CD2 3.43Å; V222-F226 PolarHBondContact O-N 2.8Å |
| 223 | I | 90.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | -179.5 | -67.4 | 165 | 0 | 0 | 0 | 110.1 | L175 H178 Q219 V221 Q225 M227 L228 | L175-I223 HydrophobicContact CB-CD1 3.96Å; L175-I223 HydrophobicContact CD2-CD1 4.3Å; L175-I223 HydrophobicContact CG-CD1 4.26Å; H178-I223 HydrophobicContact CB-CD1 3.53Å; Q219-I223 HydrophobicContact CB-CD1 4.29Å; Q219-I223 VanDerWaalsContact O-CB 3.32Å; Q219-I223 WeakPolarHBondContact O-CB 3.41Å; Q219-I223 WeakPolarHBondContact O-CD1 3.5Å; Q219-I223 WeakPolarHBondContact O-CG1 3.4Å; Q219-I223 PolarHBondContact O-N 2.72Å; V221-I223 PolarHBondContact O-N 3.27Å; I223-Q225 PolarHBondContact O-N 2.79Å; I223-M227 HydrophobicContact CG1-SD 4.04Å; I223-M227 WeakPolarHBondContact O-CA 3.36Å; I223-M227 WeakPolarHBondContact O-CB 3.41Å; I223-M227 PolarHBondContact O-N 3.36Å; I223-L228 HydrophobicContact CG2-CD1 3.96Å; I223-L228 HydrophobicContact CG2-CG 3.87Å; I223-L228 PolarHBondContact O-N 2.76Å |
| 224 | T | 89.5 | Confident | 92.3 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -63.2 | -44.7 | -178.9 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | D220 V221 K229 | D220-T224 VanDerWaalsContact O-CB 3.26Å; D220-T224 WeakPolarHBondContact O-CB 3.41Å; D220-T224 PolarHBondContact O-N 3.22Å; D220-T224 VanDerWaalsContact O-N 3.13Å; D220-T224 PolarHBondContact O-OG1 3.13Å; V221-T224 PolarHBondContact O-N 3.2Å; T224-K229 PolarHBondContact O-N 3.44Å |
| 225 | Q | 85.8 | Confident | 92.2 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -84.1 | -32.8 | -172.1 | -62.3 | -56.2 | -44 | 0 | 0 | 114.1 | V221 V222 I223 | V221-Q225 HydrophobicContact CG1-CG 4.22Å; V221-Q225 WeakPolarHBondContact O-CB 3.39Å; V221-Q225 VanDerWaalsContact O-CG 3.27Å; V221-Q225 WeakPolarHBondContact O-CG 3.3Å; V221-Q225 PolarHBondContact O-N 3.31Å; V222-Q225 PolarHBondContact O-N 2.96Å; I223-Q225 PolarHBondContact O-N 2.79Å |
| 226 | F | 82.4 | Confident | 92.3 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -114.5 | -13.3 | -171.7 | -59.6 | -73 | 0 | 0 | 0 | 114.8 | I112 V222 | I112-F226 HydrophobicContact CG2-CG 4.47Å; V222-F226 HydrophobicContact CB-CD2 4.49Å; V222-F226 HydrophobicContact CG1-CD2 4.23Å; V222-F226 WeakPolarHBondContact O-CB 3.44Å; V222-F226 WeakPolarHBondContact O-CD2 3.43Å; V222-F226 PolarHBondContact O-N 2.8Å |
| 227 | M | 83.8 | Confident | 92.2 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -114.8 | -55.3 | 178.3 | -58.5 | -179.5 | 66.6 | 0 | 0 | 111.9 | T115 M119 I223 K229 | T115-M227 HydrophobicContact CG2-CE 3.62Å; T115-M227 HydrophobicContact CG2-CG 3.8Å; T115-M227 HydrophobicContact CG2-SD 3.83Å; M119-M227 HydrophobicContact CE-CB 4.18Å; M119-M227 HydrophobicContact CE-CE 4.38Å; I223-M227 HydrophobicContact CG1-SD 4.04Å; I223-M227 WeakPolarHBondContact O-CA 3.36Å; I223-M227 WeakPolarHBondContact O-CB 3.41Å; I223-M227 PolarHBondContact O-N 3.36Å; M227-K229 PolarHBondContact O-N 2.88Å |
| 228 | L | 89.9 | Confident | 92.2 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -75.5 | -26 | -172.9 | -63.3 | -175.9 | 0 | 0 | 0 | 113.2 | I223 D230 I231 D232 N245 | I223-L228 HydrophobicContact CG2-CD1 3.96Å; I223-L228 HydrophobicContact CG2-CG 3.87Å; I223-L228 PolarHBondContact O-N 2.76Å; L228-D230 VanDerWaalsContact C-N 3.33Å; L228-D230 PolarHBondContact O-N 3.13Å; L228-I231 HydrophobicContact CD2-CD1 4.24Å; L228-I231 PolarHBondContact O-N 3.04Å; L228-D232 WeakPolarHBondContact O-CB 3.34Å; L228-D232 VanDerWaalsContact O-CG 3.23Å; L228-D232 PolarHBondContact O-N 2.94Å; L228-N245 HydrophobicContact CD2-CB 4.37Å |
| 229 | K | 91.3 | Very high | 92.2 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.7 | -43.6 | -178.5 | -172.4 | 179.1 | 179.9 | 179.8 | 0 | 113.4 | T224 M227 K233 | T224-K229 PolarHBondContact O-N 3.44Å; M227-K229 PolarHBondContact O-N 2.88Å; K229-K233 WeakPolarHBondContact O-CB 3.47Å; K229-K233 PolarHBondContact O-N 3.46Å |
| 230 | D | 91.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | -179.8 | -65.4 | -35.2 | 0 | 0 | 0 | 111.4 | L123 L228 Y234 | L123-D230 HydrophobicContact CD1-CB 4.36Å; L228-D230 VanDerWaalsContact C-N 3.33Å; L228-D230 PolarHBondContact O-N 3.13Å; D230-Y234 WeakPolarHBondContact O-CB 3.31Å; D230-Y234 PolarHBondContact O-N 3.3Å |
| 231 | I | 93.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 172.8 | -61.7 | 176.3 | 0 | 0 | 0 | 110.6 | M119 P154 L228 K233 Y234 Y235 N245 | M119-I231 HydrophobicContact CE-CD1 3.52Å; M119-I231 HydrophobicContact CE-CG1 4.04Å; M119-I231 HydrophobicContact SD-CD1 3.68Å; M119-I231 HydrophobicContact SD-CG1 3.69Å; P154-I231 HydrophobicContact CB-CD1 4.19Å; L228-I231 HydrophobicContact CD2-CD1 4.24Å; L228-I231 PolarHBondContact O-N 3.04Å; I231-K233 VanDerWaalsContact C-N 3.31Å; I231-K233 PolarHBondContact O-N 2.9Å; I231-Y234 WeakPolarHBondContact O-CB 3.47Å; I231-Y234 PolarHBondContact O-N 3.47Å; I231-Y235 HydrophobicContact CG2-CD1 3.65Å; I231-Y235 HydrophobicContact CG2-CD2 4.37Å; I231-Y235 HydrophobicContact CG2-CE1 3.36Å; I231-Y235 HydrophobicContact CG2-CE2 4.11Å; I231-Y235 HydrophobicContact CG2-CG 4.18Å; I231-Y235 WeakPolarHBondContact O-CB 3.3Å; I231-Y235 WeakPolarHBondContact O-CD1 3.49Å; I231-Y235 PolarHBondContact O-N 3.3Å; I231-N245 HydrophobicContact CG2-CB 3.82Å |
| 232 | D | 95.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | -179.7 | -74.2 | -3 | 0 | 0 | 0 | 111.2 | L228 S236 T244 N245 | L228-D232 WeakPolarHBondContact O-CB 3.34Å; L228-D232 VanDerWaalsContact O-CG 3.23Å; L228-D232 PolarHBondContact O-N 2.94Å; D232-S236 VanDerWaalsContact O-CB 3.3Å; D232-S236 WeakPolarHBondContact O-CB 3.4Å; D232-S236 PolarHBondContact O-N 3.32Å; D232-S236 PolarHBondContact O-OG 2.85Å; D232-T244 VanDerWaalsContact OD1-CA 3.3Å; D232-T244 WeakPolarHBondContact OD1-CA 3.47Å; D232-T244 WeakPolarHBondContact OD2-CB 3.3Å; D232-T244 WeakPolarHBondContact OD2-CG2 3.4Å; D232-N245 WeakPolarHBondContact OD1-CB 3.33Å; D232-N245 PolarHBondContact OD1-N 3.43Å |
| 233 | K | 95.1 | Very high | 92.6 | Very high | 129 Ų | 129 | 58.5 Ų | 58.5 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.3 | -52.3 | 173.5 | -177.9 | -177.1 | 173 | -171.2 | 0 | 110.6 | K229 I231 Y235 S236 E237 | K229-K233 WeakPolarHBondContact O-CB 3.47Å; K229-K233 PolarHBondContact O-N 3.46Å; I231-K233 VanDerWaalsContact C-N 3.31Å; I231-K233 PolarHBondContact O-N 2.9Å; K233-Y235 VanDerWaalsContact C-N 3.34Å; K233-Y235 PolarHBondContact O-N 3.28Å; K233-S236 PolarHBondContact O-N 2.96Å; K233-E237 WeakPolarHBondContact CE-OE1 3.46Å; K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 3.22Å |
| 234 | Y | 95.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 61 Ų | 61 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 179.3 | -174.9 | -77.3 | 0 | 0 | 0 | 111.9 | L123 L126 D127 V130 L158 D230 I231 S236 E237 V238 | L123-Y234 HydrophobicContact CB-CD2 4.49Å; L123-Y234 HydrophobicContact CD2-CD2 3.93Å; L123-Y234 HydrophobicContact CD2-CE2 4.47Å; L123-Y234 HydrophobicContact CD2-CG 3.98Å; L126-Y234 HydrophobicContact CD2-CD1 3.81Å; L126-Y234 HydrophobicContact CD2-CE1 3.4Å; L126-Y234 VanDerWaalsContact CD2-CE1 3.4Å; L126-Y234 HydrophobicContact CG-CE1 3.67Å; D127-Y234 PolarHBondContact N-OH 2.92Å; D127-Y234 WeakPolarHBondContact OD1-CE2 3.35Å; D127-Y234 VanDerWaalsContact OD1-CZ 3.23Å; D127-Y234 PolarHBondContact OD1-OH 2.94Å; V130-Y234 HydrophobicContact CG2-CE1 3.76Å; V130-Y234 WeakPolarHBondContact CG2-OH 3.32Å; L158-Y234 HydrophobicContact CD2-CE1 4.45Å; D230-Y234 WeakPolarHBondContact O-CB 3.31Å; D230-Y234 PolarHBondContact O-N 3.3Å; I231-Y234 WeakPolarHBondContact O-CB 3.47Å; I231-Y234 PolarHBondContact O-N 3.47Å; Y234-S236 VanDerWaalsContact C-N 3.33Å; Y234-S236 PolarHBondContact O-N 2.78Å; Y234-E237 WeakPolarHBondContact O-CB 3.39Å; Y234-E237 PolarHBondContact O-N 3.39Å; Y234-V238 HydrophobicContact CD1-CG2 3.97Å; Y234-V238 HydrophobicContact CE1-CG2 3.58Å; Y234-V238 WeakPolarHBondContact O-CG2 3.24Å; Y234-V238 PolarHBondContact O-N 2.85Å |
| 235 | Y | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | -178.6 | -78.4 | 28.2 | 0 | 0 | 0 | 110.7 | L126 G155 D157 L158 I231 K233 V238 K239 V243 N245 M248 | L126-Y235 HydrophobicContact CD2-CE1 3.99Å; G155-Y235 WeakPolarHBondContact CA-OH 3.48Å; G155-Y235 PolarHBondContact N-OH 3.09Å; D157-Y235 WeakPolarHBondContact OD1-CE2 3.49Å; D157-Y235 PolarHBondContact OD1-OH 3.31Å; D157-Y235 WeakPolarHBondContact OD2-CE2 3.5Å; L158-Y235 HydrophobicContact CB-CD1 4.49Å; L158-Y235 HydrophobicContact CB-CD2 4.09Å; L158-Y235 HydrophobicContact CB-CE1 4.17Å; L158-Y235 HydrophobicContact CB-CE2 3.76Å; L158-Y235 HydrophobicContact CB-CG 4.44Å; L158-Y235 HydrophobicContact CD2-CD1 3.79Å; L158-Y235 HydrophobicContact CD2-CE1 3.99Å; L158-Y235 HydrophobicContact CD2-CG 4.07Å; I231-Y235 HydrophobicContact CG2-CD1 3.65Å; I231-Y235 HydrophobicContact CG2-CD2 4.37Å; I231-Y235 HydrophobicContact CG2-CE1 3.36Å; I231-Y235 HydrophobicContact CG2-CE2 4.11Å; I231-Y235 HydrophobicContact CG2-CG 4.18Å; I231-Y235 WeakPolarHBondContact O-CB 3.3Å; I231-Y235 WeakPolarHBondContact O-CD1 3.49Å; I231-Y235 PolarHBondContact O-N 3.3Å; K233-Y235 VanDerWaalsContact C-N 3.34Å; K233-Y235 PolarHBondContact O-N 3.28Å; Y235-V238 PolarHBondContact O-N 2.98Å; Y235-K239 WeakPolarHBondContact O-CB 3.34Å; Y235-K239 VanDerWaalsContact O-CG 3.28Å; Y235-K239 WeakPolarHBondContact O-CG 3.33Å; Y235-K239 PolarHBondContact O-N 3.46Å; Y235-V243 HydrophobicContact CD2-CG1 4.4Å; Y235-N245 HydrophobicContact CE2-CB 4.36Å; Y235-M248 HydrophobicContact CD2-CG 4.01Å; Y235-M248 HydrophobicContact CE2-CG 4.17Å |
| 236 | S | 96.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | D232 K233 Y234 K239 G240 T241 V243 | D232-S236 VanDerWaalsContact O-CB 3.3Å; D232-S236 WeakPolarHBondContact O-CB 3.4Å; D232-S236 PolarHBondContact O-N 3.32Å; D232-S236 PolarHBondContact O-OG 2.85Å; K233-S236 PolarHBondContact O-N 2.96Å; Y234-S236 VanDerWaalsContact C-N 3.33Å; Y234-S236 PolarHBondContact O-N 2.78Å; S236-K239 PolarHBondContact O-N 3.38Å; S236-G240 WeakPolarHBondContact O-CA 3.44Å; S236-G240 PolarHBondContact O-N 3.05Å; S236-T241 WeakPolarHBondContact CA-O 3.26Å; S236-T241 PolarHBondContact O-N 2.95Å; S236-V243 PolarHBondContact OG-N 2.91Å; S236-V243 PolarHBondContact OG-O 3.44Å |
| 237 | E | 96.6 | Very high | 93.6 | Very high | 113 Ų | 113 | 55.9 Ų | 55.9 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 175.4 | -74.2 | 172.9 | -176.4 | 0 | 0 | 111.5 | K233 Y234 K239 G240 | K233-E237 WeakPolarHBondContact CE-OE1 3.46Å; K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 3.22Å; Y234-E237 WeakPolarHBondContact O-CB 3.39Å; Y234-E237 PolarHBondContact O-N 3.39Å; E237-K239 PolarHBondContact O-N 3.38Å; E237-G240 PolarHBondContact O-N 3.45Å |
| 238 | V | 95.7 | Very high | 94 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -39 | 179 | 174 | 0 | 0 | 0 | 0 | 111.9 | V130 L158 I162 Y234 Y235 | V130-V238 HydrophobicContact CG2-CG2 4.22Å; L158-V238 HydrophobicContact CD2-CB 4.17Å; L158-V238 HydrophobicContact CD2-CG1 4.1Å; L158-V238 HydrophobicContact CD2-CG2 4.42Å; I162-V238 HydrophobicContact CD1-CG1 4.08Å; Y234-V238 HydrophobicContact CD1-CG2 3.97Å; Y234-V238 HydrophobicContact CE1-CG2 3.58Å; Y234-V238 WeakPolarHBondContact O-CG2 3.24Å; Y234-V238 PolarHBondContact O-N 2.85Å; Y235-V238 PolarHBondContact O-N 2.98Å |
| 239 | K | 94.8 | Very high | 94.2 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -78.4 | -19.2 | 179.9 | -70.7 | -72.2 | -62.8 | -172 | 0 | 113.4 | L158 D161 Y235 S236 E237 T241 V243 M248 | L158-K239 HydrophobicContact CD1-CD 3.89Å; L158-K239 HydrophobicContact CD1-CG 3.84Å; D161-K239 WeakPolarHBondContact OD2-CE 2.95Å; D161-K239 IonicContact OD2-NZ 3.61Å; D161-K239 PolarHBondContact OD2-NZ 3.03Å; Y235-K239 WeakPolarHBondContact O-CB 3.34Å; Y235-K239 VanDerWaalsContact O-CG 3.28Å; Y235-K239 WeakPolarHBondContact O-CG 3.33Å; Y235-K239 PolarHBondContact O-N 3.46Å; S236-K239 PolarHBondContact O-N 3.38Å; E237-K239 PolarHBondContact O-N 3.38Å; K239-T241 PolarHBondContact O-N 3.21Å; K239-V243 HydrophobicContact CG-CG1 4.42Å; K239-M248 HydrophobicContact CD-CE 4.24Å; K239-M248 HydrophobicContact CG-CE 4.23Å |
| 240 | G | 95.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 52 Ų | 52 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 8.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S236 E237 | S236-G240 WeakPolarHBondContact O-CA 3.44Å; S236-G240 PolarHBondContact O-N 3.05Å; E237-G240 PolarHBondContact O-N 3.45Å |
| 241 | T | 94.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -143.7 | 147.5 | -179.4 | 61 | 0 | 0 | 0 | 0 | 110.4 | S236 K239 V243 | S236-T241 WeakPolarHBondContact CA-O 3.26Å; S236-T241 PolarHBondContact O-N 2.95Å; K239-T241 PolarHBondContact O-N 3.21Å; T241-V243 PolarHBondContact O-N 3.49Å |
| 242 | P | 95.5 | Very high | 94.2 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 77% | 0.773 | 29% | 0.292 | S | S | * | . | trans | -56 | 120.5 | 177.8 | -25.9 | 34.9 | 0 | 0 | 0 | 112.9 | ||||
| 243 | V | 94.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | trans | -144.8 | 149.9 | 177.4 | 109.2 | 0 | 0 | 0 | 0 | 109.6 | Y235 S236 K239 T241 K247 M248 | Y235-V243 HydrophobicContact CD2-CG1 4.4Å; S236-V243 PolarHBondContact OG-N 2.91Å; S236-V243 PolarHBondContact OG-O 3.44Å; K239-V243 HydrophobicContact CG-CG1 4.42Å; T241-V243 PolarHBondContact O-N 3.49Å; V243-K247 HydrophobicContact CG2-CD 4.04Å; V243-M248 HydrophobicContact CB-CE 4.35Å; V243-M248 HydrophobicContact CG1-CE 3.6Å; V243-M248 HydrophobicContact CG1-SD 4.49Å; V243-M248 HydrophobicContact CG2-CE 3.87Å; V243-M248 HydrophobicContact CG2-SD 4.23Å | ||
| 244 | T | 92.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | trans | -115.6 | 150.8 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | D232 C246 K247 M248 | D232-T244 VanDerWaalsContact OD1-CA 3.3Å; D232-T244 WeakPolarHBondContact OD1-CA 3.47Å; D232-T244 WeakPolarHBondContact OD2-CB 3.3Å; D232-T244 WeakPolarHBondContact OD2-CG2 3.4Å; T244-C246 VanDerWaalsContact C-N 3.3Å; T244-C246 PolarHBondContact O-N 3.34Å; T244-K247 WeakPolarHBondContact O-CB 3.37Å; T244-K247 PolarHBondContact O-N 3.01Å; T244-K247 WeakPolarHBondContact OG1-CB 3.43Å; T244-K247 PolarHBondContact OG1-N 3.03Å; T244-M248 PolarHBondContact O-N 3.49Å; T244-M248 VanDerWaalsContact O-N 3.16Å | ||
| 245 | N | 91.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 173.4 | 171.8 | -106.4 | 0 | 0 | 0 | 111 | D157 L228 I231 D232 Y235 K247 M248 L249 | D157-N245 PolarHBondContact OD2-ND2 3.31Å; L228-N245 HydrophobicContact CD2-CB 4.37Å; I231-N245 HydrophobicContact CG2-CB 3.82Å; D232-N245 WeakPolarHBondContact OD1-CB 3.33Å; D232-N245 PolarHBondContact OD1-N 3.43Å; Y235-N245 HydrophobicContact CE2-CB 4.36Å; N245-K247 PolarHBondContact O-N 2.89Å; N245-M248 WeakPolarHBondContact O-CA 3.33Å; N245-M248 WeakPolarHBondContact O-CB 3.27Å; N245-M248 PolarHBondContact O-N 3.09Å; N245-L249 WeakPolarHBondContact O-CG 3.38Å; N245-L249 PolarHBondContact O-N 3.1Å; N245-L249 WeakPolarHBondContact OD1-CD1 3.26Å |
| 246 | C | 91.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 46 Ų | 46 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -36.5 | 175.3 | -112.3 | 0 | 0 | 0 | 0 | 112.2 | C183 T244 M248 L249 R250 | C183-C246 HydrophobicContact CB-CB 3.95Å; C183-C246 WeakPolarHBondContact CB-SG 3.47Å; C183-C246 WeakPolarHBondContact SG-CA 3.36Å; C183-C246 WeakPolarHBondContact SG-CB 3.21Å; C183-C246 CovalentContact SG-SG 2.05Å; C183-C246 PolarHBondContact SG-SG 2.82Å; T244-C246 VanDerWaalsContact C-N 3.3Å; T244-C246 PolarHBondContact O-N 3.34Å; C246-M248 VanDerWaalsContact C-N 3.33Å; C246-L249 PolarHBondContact O-N 2.82Å; C246-R250 WeakPolarHBondContact O-CG 3.45Å; C246-R250 PolarHBondContact O-N 3.41Å |
| 247 | K | 91.1 | Very high | 94.8 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -37.1 | 175.9 | -177.6 | 178.3 | 175.8 | -175.9 | 0 | 111.7 | V243 T244 N245 | V243-K247 HydrophobicContact CG2-CD 4.04Å; T244-K247 WeakPolarHBondContact O-CB 3.37Å; T244-K247 PolarHBondContact O-N 3.01Å; T244-K247 WeakPolarHBondContact OG1-CB 3.43Å; T244-K247 PolarHBondContact OG1-N 3.03Å; N245-K247 PolarHBondContact O-N 2.89Å |
| 248 | M | 92.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 173.3 | -60.2 | -48.9 | -154.7 | 0 | 0 | 111.3 | D157 L158 D161 Y235 K239 V243 T244 N245 C246 R250 N251 | D157-M248 HydrophobicContact CB-CB 3.95Å; D157-M248 VanDerWaalsContact OD2-CB 3.27Å; D157-M248 WeakPolarHBondContact OD2-CB 3.11Å; L158-M248 HydrophobicContact CD1-CE 4.08Å; D161-M248 HydrophobicContact CB-CE 4.31Å; D161-M248 HydrophobicContact CB-SD 4.41Å; Y235-M248 HydrophobicContact CD2-CG 4.01Å; Y235-M248 HydrophobicContact CE2-CG 4.17Å; K239-M248 HydrophobicContact CD-CE 4.24Å; K239-M248 HydrophobicContact CG-CE 4.23Å; V243-M248 HydrophobicContact CB-CE 4.35Å; V243-M248 HydrophobicContact CG1-CE 3.6Å; V243-M248 HydrophobicContact CG1-SD 4.49Å; V243-M248 HydrophobicContact CG2-CE 3.87Å; V243-M248 HydrophobicContact CG2-SD 4.23Å; T244-M248 PolarHBondContact O-N 3.49Å; T244-M248 VanDerWaalsContact O-N 3.16Å; N245-M248 WeakPolarHBondContact O-CA 3.33Å; N245-M248 WeakPolarHBondContact O-CB 3.27Å; N245-M248 PolarHBondContact O-N 3.09Å; C246-M248 VanDerWaalsContact C-N 3.33Å; M248-R250 PolarHBondContact O-N 3.19Å; M248-N251 WeakPolarHBondContact O-CB 3.46Å; M248-N251 PolarHBondContact O-N 3.5Å |
| 249 | L | 93.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -24.1 | 178.4 | -68.1 | 178.4 | 0 | 0 | 0 | 114.2 | Y156 D157 L169 W179 C183 N245 C246 N251 V252 W255 | Y156-L249 HydrophobicContact CE2-CD2 3.78Å; Y156-L249 VanDerWaalsContact OH-CD2 3.29Å; Y156-L249 WeakPolarHBondContact OH-CD2 3.46Å; D157-L249 HydrophobicContact CB-CD2 4.39Å; L169-L249 HydrophobicContact CD1-CD2 4.16Å; W179-L249 HydrophobicContact CB-CD1 4.24Å; W179-L249 HydrophobicContact CD2-CD1 4.25Å; W179-L249 HydrophobicContact CG-CD1 3.94Å; C183-L249 HydrophobicContact CB-CB 3.62Å; C183-L249 HydrophobicContact CB-CD1 4.11Å; N245-L249 WeakPolarHBondContact O-CG 3.38Å; N245-L249 PolarHBondContact O-N 3.1Å; N245-L249 WeakPolarHBondContact OD1-CD1 3.26Å; C246-L249 PolarHBondContact O-N 2.82Å; L249-N251 PolarHBondContact O-N 3.17Å; L249-V252 HydrophobicContact CD2-CG2 4.03Å; L249-V252 WeakPolarHBondContact O-CB 3.35Å; L249-V252 VanDerWaalsContact O-CG2 3.29Å; L249-V252 WeakPolarHBondContact O-CG2 3.46Å; L249-V252 PolarHBondContact O-N 3.16Å; L249-W255 HydrophobicContact CB-CH2 4.38Å; L249-W255 HydrophobicContact CD2-CH2 4.33Å |
| 250 | R | 91.4 | Very high | 94.9 | Very high | 96 Ų | 96 | 35.5 Ų | 35.5 | 36% | 0.362 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.1 | 170.2 | -70.2 | 173.2 | -175.1 | -160.2 | 0 | 113 | C183 C246 M248 R476 | C183-R250 WeakPolarHBondContact O-CG 3.25Å; C246-R250 WeakPolarHBondContact O-CG 3.45Å; C246-R250 PolarHBondContact O-N 3.41Å; M248-R250 PolarHBondContact O-N 3.19Å; R250-R476 PolarHBondContact O-NH1 3.14Å |
| 251 | N | 90.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 35.7 Ų | 35.7 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4 | -179.2 | -61.7 | -25.6 | 0 | 0 | 0 | 113.2 | M248 L249 D253 R476 | M248-N251 WeakPolarHBondContact O-CB 3.46Å; M248-N251 PolarHBondContact O-N 3.5Å; L249-N251 PolarHBondContact O-N 3.17Å; N251-D253 PolarHBondContact O-N 3.44Å; N251-R476 PolarHBondContact OD1-NH1 3.04Å; N251-R476 VanDerWaalsContact OD1-NH1 3.09Å |
| 252 | V | 96.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | trans | -61.1 | 124.4 | 171.2 | 173 | 0 | 0 | 0 | 0 | 109.4 | L167 L169 L249 I254 W255 | L167-V252 HydrophobicContact CD2-CG2 3.63Å; L167-V252 HydrophobicContact CG-CG2 4.2Å; L169-V252 HydrophobicContact CB-CG1 4.39Å; L169-V252 HydrophobicContact CD1-CB 4.41Å; L169-V252 HydrophobicContact CD1-CG1 3.97Å; L169-V252 HydrophobicContact CD1-CG2 3.55Å; L169-V252 HydrophobicContact CG-CG1 3.77Å; L169-V252 HydrophobicContact CG-CG2 3.93Å; L249-V252 HydrophobicContact CD2-CG2 4.03Å; L249-V252 WeakPolarHBondContact O-CB 3.35Å; L249-V252 VanDerWaalsContact O-CG2 3.29Å; L249-V252 WeakPolarHBondContact O-CG2 3.46Å; L249-V252 PolarHBondContact O-N 3.16Å; V252-I254 WeakPolarHBondContact CG1-O 3.33Å; V252-W255 HydrophobicContact CB-CZ2 3.8Å; V252-W255 HydrophobicContact CG1-CD2 3.95Å; V252-W255 HydrophobicContact CG1-CG 4.03Å; V252-W255 HydrophobicContact CG1-CZ2 4.09Å; V252-W255 HydrophobicContact CG2-CH2 4.33Å; V252-W255 HydrophobicContact CG2-CZ2 3.82Å | ||
| 253 | D | 98 | Very high | 95 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 10% | 0.102 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -76.5 | -46.1 | -176.7 | -67.5 | -77.1 | 0 | 0 | 0 | 111.6 | P166 L167 N251 N272 T466 G471 A472 | P166-D253 WeakPolarHBondContact CA-OD2 3.36Å; P166-D253 VanDerWaalsContact CB-OD2 3.29Å; P166-D253 WeakPolarHBondContact CB-OD2 3.16Å; L167-D253 PolarHBondContact N-OD2 3.08Å; L167-D253 WeakPolarHBondContact O-CB 3.39Å; L167-D253 PolarHBondContact O-N 3.02Å; N251-D253 PolarHBondContact O-N 3.44Å; D253-N272 WeakPolarHBondContact O-CB 3.46Å; D253-T466 HydrophobicContact CB-CG2 3.89Å; D253-G471 WeakPolarHBondContact OD1-CA 3.42Å; D253-A472 HydrophobicContact CB-CB 3.88Å; D253-A472 PolarHBondContact OD1-N 3.21Å |
| 254 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.5 | 178.4 | -62.3 | -67.3 | 0 | 0 | 0 | 110.9 | L167 V168 L169 V252 L256 N272 K274 W462 T466 A472 L475 | L167-I254 PolarHBondContact O-N 3.27Å; V168-I254 WeakPolarHBondContact CA-O 3.17Å; V168-I254 HydrophobicContact CG1-CB 4.15Å; V168-I254 HydrophobicContact CG1-CG2 4.29Å; V168-I254 HydrophobicContact CG2-CB 4.22Å; L169-I254 PolarHBondContact N-O 3.46Å; V252-I254 WeakPolarHBondContact CG1-O 3.33Å; I254-L256 HydrophobicContact CG2-CD2 3.69Å; I254-L256 HydrophobicContact CG2-CG 4.08Å; I254-N272 WeakPolarHBondContact CA-O 3.49Å; I254-N272 HydrophobicContact CD1-CB 4.29Å; I254-K274 HydrophobicContact CG2-CG 4.11Å; I254-W462 HydrophobicContact CD1-CD2 4.41Å; I254-W462 HydrophobicContact CD1-CE3 3.64Å; I254-W462 HydrophobicContact CD1-CZ3 4.1Å; I254-W462 HydrophobicContact CG1-CE3 4.28Å; I254-W462 HydrophobicContact CG2-CB 4.11Å; I254-T466 WeakPolarHBondContact CG1-OG1 3.28Å; I254-A472 HydrophobicContact CD1-CB 4.11Å; I254-A472 HydrophobicContact CG1-CB 4.32Å; I254-L475 HydrophobicContact CD1-CD1 3.91Å |
| 255 | W | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 100.8 | 170.8 | -60.3 | 77.8 | 0 | 0 | 0 | 109.4 | L169 L171 L249 V252 M257 N272 F273 K274 | L169-W255 HydrophobicContact CB-CE3 4.48Å; L169-W255 HydrophobicContact CD1-CD2 4.37Å; L169-W255 HydrophobicContact CD1-CE3 3.86Å; L169-W255 HydrophobicContact CD1-CH2 3.82Å; L169-W255 HydrophobicContact CD1-CZ2 4.34Å; L169-W255 HydrophobicContact CD1-CZ3 3.56Å; L171-W255 HydrophobicContact CD2-CE3 3.91Å; L171-W255 HydrophobicContact CD2-CZ3 3.82Å; L249-W255 HydrophobicContact CB-CH2 4.38Å; L249-W255 HydrophobicContact CD2-CH2 4.33Å; V252-W255 HydrophobicContact CB-CZ2 3.8Å; V252-W255 HydrophobicContact CG1-CD2 3.95Å; V252-W255 HydrophobicContact CG1-CG 4.03Å; V252-W255 HydrophobicContact CG1-CZ2 4.09Å; V252-W255 HydrophobicContact CG2-CH2 4.33Å; V252-W255 HydrophobicContact CG2-CZ2 3.82Å; W255-M257 HydrophobicContact CB-SD 4.3Å; W255-M257 PolarHBondContact O-N 2.66Å; W255-N272 PolarHBondContact N-O 2.93Å; W255-F273 HydrophobicContact CB-CB 4.47Å; W255-F273 HydrophobicContact CB-CD1 3.49Å; W255-F273 VanDerWaalsContact CB-CD1 3.49Å; W255-F273 HydrophobicContact CB-CD2 4.16Å; W255-F273 HydrophobicContact CB-CE1 3.62Å; W255-F273 HydrophobicContact CB-CE2 4.29Å; W255-F273 HydrophobicContact CB-CG 3.79Å; W255-F273 HydrophobicContact CB-CZ 4.04Å; W255-F273 AromaticContact CD1-CD2 3.81Å; W255-F273 AromaticContact CD1-CE2 3.41Å; W255-F273 VanDerWaalsContact CD1-CE2 3.41Å; W255-F273 AromaticContact CD1-CZ 3.55Å; W255-F273 AromaticContact CD2-CE1 3.73Å; W255-F273 HydrophobicContact CD2-CE1 3.73Å; W255-F273 HydrophobicContact CD2-CE2 4.26Å; W255-F273 AromaticContact CD2-CZ 3.58Å; W255-F273 HydrophobicContact CD2-CZ 3.58Å; W255-F273 AromaticContact CE2-CZ 3.78Å; W255-F273 HydrophobicContact CE3-CE1 4.08Å; W255-F273 HydrophobicContact CE3-CZ 4.24Å; W255-F273 AromaticContact CG-CD1 3.89Å; W255-F273 HydrophobicContact CG-CD1 3.89Å; W255-F273 HydrophobicContact CG-CD2 4.08Å; W255-F273 AromaticContact CG-CE1 3.52Å; W255-F273 HydrophobicContact CG-CE1 3.52Å; W255-F273 AromaticContact CG-CE2 3.76Å; W255-F273 HydrophobicContact CG-CE2 3.76Å; W255-F273 HydrophobicContact CG-CG 4.16Å; W255-F273 AromaticContact CG-CZ 3.46Å; W255-F273 HydrophobicContact CG-CZ 3.46Å; W255-F273 VanDerWaalsContact CG-CZ 3.46Å; W255-F273 AromaticContact NE1-CE2 3.76Å; W255-F273 AromaticContact NE1-CZ 3.74Å; W255-F273 CarbonylContact O-C 3.52Å; W255-F273 WeakPolarHBondContact O-CA 3.48Å; W255-K274 PolarHBondContact O-N 3.1Å |
| 256 | L | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 90.9 | 169.6 | -57.7 | -178.7 | 0 | 0 | 0 | 109.2 | F148 V168 L169 S170 L171 I254 R258 K274 V276 A459 W462 I463 | F148-L256 HydrophobicContact CE2-CD1 4Å; V168-L256 HydrophobicContact CG1-CD1 3.78Å; V168-L256 HydrophobicContact CG1-CG 3.83Å; L169-L256 WeakPolarHBondContact O-CA 3.28Å; L169-L256 WeakPolarHBondContact O-CB 3.48Å; L169-L256 PolarHBondContact O-N 2.78Å; S170-L256 CarbonylContact C-O 3.6Å; S170-L256 WeakPolarHBondContact CA-O 3.16Å; L171-L256 PolarHBondContact N-O 3.41Å; I254-L256 HydrophobicContact CG2-CD2 3.69Å; I254-L256 HydrophobicContact CG2-CG 4.08Å; L256-R258 PolarHBondContact O-N 3.08Å; L256-K274 CarbonylContact C-O 3.55Å; L256-K274 WeakPolarHBondContact CA-O 3.49Å; L256-K274 HydrophobicContact CD2-CB 3.9Å; L256-K274 HydrophobicContact CD2-CG 4.46Å; L256-V276 HydrophobicContact CB-CG2 3.9Å; L256-V276 HydrophobicContact CD2-CG1 4.31Å; L256-A459 HydrophobicContact CD1-CB 3.89Å; L256-W462 HydrophobicContact CD2-CB 3.98Å; L256-W462 HydrophobicContact CD2-CG 4.49Å; L256-I463 HydrophobicContact CD1-CD1 4.23Å; L256-I463 HydrophobicContact CD1-CG1 4.19Å |
| 257 | M | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.1 | 175.6 | -60.1 | -52.9 | -58.5 | 0 | 0 | 110.1 | L171 E180 W255 T259 F273 K274 F275 V276 | L171-M257 HydrophobicContact CB-CE 4.48Å; L171-M257 HydrophobicContact CB-SD 4.24Å; L171-M257 HydrophobicContact CD2-CE 4.15Å; L171-M257 HydrophobicContact CD2-SD 4.23Å; L171-M257 HydrophobicContact CG-CE 4.21Å; L171-M257 HydrophobicContact CG-SD 4.46Å; L171-M257 CarbonylContact O-C 3.54Å; L171-M257 VanDerWaalsContact O-CA 3.24Å; L171-M257 WeakPolarHBondContact O-CA 3.33Å; E180-M257 HydrophobicContact CG-CE 4.11Å; E180-M257 HydrophobicContact CG-SD 4.4Å; W255-M257 HydrophobicContact CB-SD 4.3Å; W255-M257 PolarHBondContact O-N 2.66Å; M257-T259 PolarHBondContact O-N 2.85Å; M257-F273 HydrophobicContact CG-CD1 3.83Å; M257-F273 HydrophobicContact SD-CD1 3.82Å; M257-F273 HydrophobicContact SD-CE1 4.04Å; M257-K274 PolarHBondContact N-O 3.39Å; M257-F275 HydrophobicContact CB-CD1 3.73Å; M257-F275 HydrophobicContact CB-CE1 3.78Å; M257-F275 HydrophobicContact CB-CG 4.14Å; M257-F275 HydrophobicContact CB-CZ 4.21Å; M257-F275 HydrophobicContact CG-CD1 4.36Å; M257-F275 HydrophobicContact CG-CE1 3.97Å; M257-F275 HydrophobicContact CG-CE2 4.29Å; M257-F275 HydrophobicContact CG-CZ 3.93Å; M257-F275 CarbonylContact O-C 3.55Å; M257-F275 WeakPolarHBondContact O-CA 3.47Å; M257-V276 WeakPolarHBondContact O-CG2 3.45Å; M257-V276 PolarHBondContact O-N 3.38Å |
| 258 | R | 96.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 6% | 0.06 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -77.4 | 29.7 | 178.1 | -62.8 | -166.3 | -66.5 | -89.6 | 6.3 | 113.5 | H33 N36 D150 S170 L171 R172 L256 Y380 | H33-R258 PolarHBondContact ND1-NH2 3.04Å; N36-R258 WeakPolarHBondContact OD1-CD 3.24Å; D150-R258 IonicContact OD2-CZ 3.09Å; D150-R258 IonicContact OD2-NH1 3.33Å; D150-R258 PolarHBondContact OD2-NH1 3.46Å; D150-R258 IonicContact OD2-NH2 2.64Å; D150-R258 PolarHBondContact OD2-NH2 3.29Å; S170-R258 PolarHBondContact O-NH1 2.91Å; S170-R258 WeakPolarHBondContact OG-CD 3.4Å; S170-R258 WeakPolarHBondContact OG-CG 3.42Å; S170-R258 PolarHBondContact OG-NH1 2.8Å; L171-R258 PolarHBondContact O-N 3.37Å; R172-R258 HydrophobicContact CB-CB 4.29Å; L256-R258 PolarHBondContact O-N 3.08Å; R258-Y380 WeakPolarHBondContact O-CE2 3.48Å |
| 259 | T | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -123.4 | 166.3 | 172.2 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | R172 M257 F263 D264 F275 G277 Y380 | R172-T259 VanDerWaalsContact CD-CG2 3.49Å; M257-T259 PolarHBondContact O-N 2.85Å; T259-F263 HydrophobicContact CG2-CD1 4.31Å; T259-F263 HydrophobicContact CG2-CE1 4.39Å; T259-D264 VanDerWaalsContact CB-OD2 3.3Å; T259-D264 WeakPolarHBondContact CB-OD2 3.42Å; T259-D264 PolarHBondContact OG1-OD2 3.29Å; T259-F275 CarbonylContact O-C 3.52Å; T259-F275 WeakPolarHBondContact O-CA 3.46Å; T259-F275 VanDerWaalsContact O-CB 3.3Å; T259-F275 WeakPolarHBondContact O-CB 3.37Å; T259-G277 PolarHBondContact O-N 2.85Å; T259-Y380 VanDerWaalsContact C-OH 3.31Å; T259-Y380 WeakPolarHBondContact CA-OH 3.3Å | ||
| 260 | F | 96.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 29 Ų | 29 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | trans | -157.2 | 167.6 | 173.2 | -160 | -101.6 | 0 | 0 | 0 | 109.6 | D262 F263 D264 F275 Y380 R451 | F260-D262 VanDerWaalsContact C-N 3.29Å; F260-D262 VanDerWaalsContact C-OD1 3.26Å; F260-D262 WeakPolarHBondContact CB-OD1 3.26Å; F260-D262 PolarHBondContact O-N 3.44Å; F260-F263 PolarHBondContact O-N 3.21Å; F260-D264 WeakPolarHBondContact O-CB 3.18Å; F260-D264 PolarHBondContact O-N 2.95Å; F260-F275 HydrophobicContact CD2-CB 3.91Å; F260-F275 WeakPolarHBondContact CD2-O 3.46Å; F260-Y380 PolarHBondContact N-OH 2.95Å; F260-R451 VanDerWaalsContact CB-NH2 3.27Å; F260-R451 HydrophobicContact CE1-CG 4.13Å; F260-R451 VanDerWaalsContact CE1-NE 3.27Å; F260-R451 VanDerWaalsContact CG-NH1 3.34Å; F260-R451 HydrophobicContact CZ-CG 4.03Å | ||
| 261 | W | 95.1 | Very high | 96.1 | Very high | 71 Ų | 71 | 27.5 Ų | 27.5 | 27% | 0.269 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.1 | -165.5 | -45.2 | 117.5 | 0 | 0 | 0 | 115.6 | F265 R267 L269 F275 K408 | W261-F265 VanDerWaalsContact CZ3-O 3.26Å; W261-F265 WeakPolarHBondContact CZ3-O 3.49Å; W261-R267 HydrophobicContact CH2-CG 4.1Å; W261-R267 HydrophobicContact CZ3-CG 4.16Å; W261-L269 HydrophobicContact CH2-CD1 4.33Å; W261-L269 HydrophobicContact CH2-CD2 3.6Å; W261-L269 HydrophobicContact CH2-CG 4.32Å; W261-L269 HydrophobicContact CZ2-CD1 3.67Å; W261-L269 HydrophobicContact CZ2-CD2 3.8Å; W261-L269 HydrophobicContact CZ2-CG 4.16Å; W261-F275 HydrophobicContact CH2-CD1 4.38Å; W261-F275 HydrophobicContact CH2-CE1 4.14Å; W261-F275 HydrophobicContact CH2-CZ 4.32Å; W261-F275 HydrophobicContact CZ2-CD1 4.4Å; W261-F275 HydrophobicContact CZ2-CD2 4.47Å; W261-F275 HydrophobicContact CZ2-CG 4.36Å; W261-K408 PolarHBondContact O-NZ 3.29Å |
| 262 | D | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.9 | 167.3 | 50.3 | 0.6 | 0 | 0 | 0 | 111.7 | F260 I383 K408 L444 I447 H448 R451 | F260-D262 VanDerWaalsContact C-N 3.29Å; F260-D262 VanDerWaalsContact C-OD1 3.26Å; F260-D262 WeakPolarHBondContact CB-OD1 3.26Å; F260-D262 PolarHBondContact O-N 3.44Å; D262-I383 HydrophobicContact CB-CG2 4.27Å; D262-K408 WeakPolarHBondContact O-CD 3.17Å; D262-K408 WeakPolarHBondContact O-CE 3.39Å; D262-K408 PolarHBondContact O-NZ 3.44Å; D262-L444 HydrophobicContact CB-CB 4.44Å; D262-L444 WeakPolarHBondContact O-CD2 3.42Å; D262-I447 HydrophobicContact CB-CB 4.31Å; D262-I447 HydrophobicContact CB-CG2 4.04Å; D262-H448 WeakPolarHBondContact OD2-CA 3.37Å; D262-H448 WeakPolarHBondContact OD2-CB 3.24Å; D262-H448 IonicContact OD2-CE1 3.7Å; D262-H448 IonicContact OD2-CG 2.79Å; D262-H448 VanDerWaalsContact OD2-CG 3.27Å; D262-H448 IonicContact OD2-ND1 2.76Å; D262-H448 PolarHBondContact OD2-ND1 3.48Å; D262-R451 IonicContact OD1-NH2 3.85Å; D262-R451 IonicContact OD2-NH2 3.66Å; D262-R451 PolarHBondContact OD2-NH2 3.4Å |
| 263 | F | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -44.6 | 179.1 | 170.7 | -126 | 0 | 0 | 0 | 113.9 | R172 T259 F260 T376 I379 Y380 I383 N401 H404 M405 K408 | R172-F263 VanDerWaalsContact NH2-CE1 3.32Å; T259-F263 HydrophobicContact CG2-CD1 4.31Å; T259-F263 HydrophobicContact CG2-CE1 4.39Å; F260-F263 PolarHBondContact O-N 3.21Å; F263-T376 HydrophobicContact CE1-CG2 4.3Å; F263-I379 HydrophobicContact CD2-CG2 3.7Å; F263-I379 HydrophobicContact CE2-CD1 4Å; F263-I379 HydrophobicContact CE2-CG2 3.95Å; F263-I379 HydrophobicContact CG-CG2 4.26Å; F263-I379 HydrophobicContact CZ-CD1 4.34Å; F263-Y380 HydrophobicContact CB-CE1 4.02Å; F263-Y380 WeakPolarHBondContact CB-OH 3.25Å; F263-Y380 AromaticContact CD1-CE2 3.97Å; F263-Y380 HydrophobicContact CD1-CE2 3.97Å; F263-Y380 AromaticContact CD1-CZ 3.9Å; F263-Y380 WeakPolarHBondContact CD1-OH 3.48Å; F263-I383 HydrophobicContact CB-CD1 3.9Å; F263-N401 HydrophobicContact CE2-CB 4.17Å; F263-N401 HydrophobicContact CZ-CB 3.79Å; F263-N401 WeakPolarHBondContact CZ-OD1 3.38Å; F263-H404 HydrophobicContact CD2-CB 4.38Å; F263-H404 HydrophobicContact CE2-CB 3.92Å; F263-M405 HydrophobicContact CD2-CG 4.37Å; F263-M405 HydrophobicContact CD2-SD 3.66Å; F263-M405 HydrophobicContact CE2-CG 4.29Å; F263-M405 HydrophobicContact CE2-SD 4.17Å; F263-K408 WeakPolarHBondContact O-CE 3.21Å |
| 264 | D | 95.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -87.9 | 175.1 | -175.8 | -147.3 | -23.7 | 0 | 0 | 0 | 111.8 | T259 F260 H404 K408 | T259-D264 VanDerWaalsContact CB-OD2 3.3Å; T259-D264 WeakPolarHBondContact CB-OD2 3.42Å; T259-D264 PolarHBondContact OG1-OD2 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.18Å; F260-D264 PolarHBondContact O-N 2.95Å; D264-H404 IonicContact OD1-NE2 3.6Å; D264-K408 PolarHBondContact O-NZ 3.39Å |
| 265 | F | 95.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | trans | -95.9 | 142.3 | 172.7 | -60.6 | -65.6 | 0 | 0 | 0 | 111.9 | P194 T201 D202 W261 R267 H404 A407 | P194-F265 HydrophobicContact CG-CD2 4.06Å; T201-F265 HydrophobicContact CG2-CE2 4.41Å; T201-F265 HydrophobicContact CG2-CZ 3.96Å; D202-F265 HydrophobicContact CB-CB 3.77Å; D202-F265 HydrophobicContact CB-CD1 3.98Å; D202-F265 HydrophobicContact CB-CD2 4.37Å; D202-F265 HydrophobicContact CB-CG 3.79Å; D202-F265 VanDerWaalsContact OD1-CD1 3.25Å; D202-F265 WeakPolarHBondContact OD1-CD1 3.48Å; D202-F265 WeakPolarHBondContact OD1-CE1 3.24Å; W261-F265 VanDerWaalsContact CZ3-O 3.26Å; W261-F265 WeakPolarHBondContact CZ3-O 3.49Å; F265-R267 PolarHBondContact O-N 3.14Å; F265-H404 AromaticContact CD2-CD2 3.48Å; F265-H404 VanDerWaalsContact CD2-CD2 3.48Å; F265-H404 WeakPolarHBondContact CD2-CD2 3.4Å; F265-H404 AromaticContact CD2-NE2 3.48Å; F265-H404 WeakPolarHBondContact CD2-NE2 3.28Å; F265-H404 AromaticContact CE2-CD2 3.21Å; F265-H404 WeakPolarHBondContact CE2-CD2 3.28Å; F265-H404 AromaticContact CE2-CE1 3.97Å; F265-H404 AromaticContact CE2-CG 3.75Å; F265-H404 AromaticContact CE2-NE2 3.38Å; F265-H404 WeakPolarHBondContact CE2-NE2 3.31Å; F265-H404 AromaticContact CZ-CD2 3.94Å; F265-A407 HydrophobicContact CE1-CB 4.42Å; F265-A407 HydrophobicContact CZ-CB 4.1Å | ||
| 266 | P | 94.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 24.9 Ų | 24.9 | 53% | 0.532 | 13% | 0.13 | S | C | . | . | trans | -56.1 | 135.9 | 177.9 | -25.1 | 34.8 | 0 | 0 | 0 | 113.4 | ||||
| 267 | R | 94.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 24.8 Ų | 24.8 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | trans | -151.6 | 162.7 | 179.4 | 67.7 | -172.8 | -171.8 | 170.6 | 4.7 | 112.6 | H177 V193 W261 F265 L269 | H177-R267 PolarHBondContact CE1-NH1 2.99Å; H177-R267 PolarHBondContact ND1-NH1 2.94Å; H177-R267 PolarHBondContact NE2-NH1 2.85Å; H177-R267 VanDerWaalsContact NE2-NH1 3.15Å; V193-R267 HydrophobicContact CG1-CB 4.43Å; V193-R267 HydrophobicContact CG2-CB 3.83Å; W261-R267 HydrophobicContact CH2-CG 4.1Å; W261-R267 HydrophobicContact CZ3-CG 4.16Å; F265-R267 PolarHBondContact O-N 3.14Å; R267-L269 HydrophobicContact CG-CD2 4.44Å | ||
| 268 | P | 95.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 25 Ų | 25 | 29% | 0.286 | 13% | 0.132 | S | C | . | . | trans | -58.1 | 144.9 | 176.2 | -23.4 | 34.7 | 0 | 0 | 0 | 112.3 | P187 P189 F192 | P187-P268 HydrophobicContact CB-CB 3.94Å; P187-P268 HydrophobicContact CB-CG 4.32Å; P187-P268 HydrophobicContact CG-CB 4.21Å; P189-P268 HydrophobicContact CG-CG 4.31Å; F192-P268 HydrophobicContact CZ-CG 4.23Å | ||
| 269 | L | 94.9 | Very high | 96.1 | Very high | 83 Ų | 83 | 24.4 Ų | 24.4 | 44% | 0.435 | 13% | 0.13 | S | C | . | . | trans | -124.8 | 151.8 | -176 | -55.6 | -175.7 | 0 | 0 | 0 | 112.1 | W261 R267 F275 | W261-L269 HydrophobicContact CH2-CD1 4.33Å; W261-L269 HydrophobicContact CH2-CD2 3.6Å; W261-L269 HydrophobicContact CH2-CG 4.32Å; W261-L269 HydrophobicContact CZ2-CD1 3.67Å; W261-L269 HydrophobicContact CZ2-CD2 3.8Å; W261-L269 HydrophobicContact CZ2-CG 4.16Å; R267-L269 HydrophobicContact CG-CD2 4.44Å; L269-F275 HydrophobicContact CD1-CD2 4.33Å; L269-F275 HydrophobicContact CD1-CE2 4.17Å; L269-F275 HydrophobicContact CD2-CD2 4.09Å; L269-F275 HydrophobicContact CD2-CE1 4.34Å; L269-F275 HydrophobicContact CD2-CE2 3.2Å; L269-F275 HydrophobicContact CD2-CZ 3.34Å; L269-F275 HydrophobicContact CG-CE2 4.19Å | ||
| 270 | L | 96.1 | Very high | 96 | Very high | 21 Ų | 21 | 25 Ų | 25 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | trans | -107.1 | 153 | 169.1 | -64.4 | -170.9 | 0 | 0 | 0 | 111.6 | Q185 L186 P187 N272 F273 V477 | Q185-L270 HydrophobicContact CB-CD1 4.48Å; Q185-L270 WeakPolarHBondContact O-CD1 3.48Å; L186-L270 HydrophobicContact CD1-CB 4.32Å; L186-L270 HydrophobicContact CD1-CG 4Å; P187-L270 HydrophobicContact CG-CD2 4.5Å; L270-N272 WeakPolarHBondContact CB-OD1 3.43Å; L270-N272 PolarHBondContact O-N 2.96Å; L270-N272 VanDerWaalsContact O-N 3.14Å; L270-F273 HydrophobicContact CB-CD2 3.84Å; L270-F273 HydrophobicContact CB-CE2 4.47Å; L270-F273 HydrophobicContact CD1-CD2 4.37Å; L270-F273 HydrophobicContact CD1-CE2 4.2Å; L270-F273 HydrophobicContact CG-CD2 4.5Å; L270-F273 PolarHBondContact O-N 3.27Å; L270-V477 HydrophobicContact CD1-CG1 4.03Å; L270-V477 HydrophobicContact CD1-CG2 3.75Å; L270-V477 HydrophobicContact CD2-CG1 3.53Å; L270-V477 HydrophobicContact CG-CG1 4.24Å | ||
| 271 | P | 96.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 24 Ų | 24 | 42% | 0.422 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.8 | -177 | -24.8 | 35.1 | 0 | 0 | 0 | 115 | K274 L475 | P271-K274 WeakPolarHBondContact O-CE 3.29Å; P271-K274 PolarHBondContact O-NZ 3.3Å; P271-L475 HydrophobicContact CB-CB 4.19Å; P271-L475 HydrophobicContact CB-CD2 4.02Å |
| 272 | N | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -0.6 | 177.3 | 64.9 | -36 | 0 | 0 | 0 | 114.2 | D253 I254 W255 L270 L475 | D253-N272 WeakPolarHBondContact O-CB 3.46Å; I254-N272 WeakPolarHBondContact CA-O 3.49Å; I254-N272 HydrophobicContact CD1-CB 4.29Å; W255-N272 PolarHBondContact N-O 2.93Å; L270-N272 WeakPolarHBondContact CB-OD1 3.43Å; L270-N272 PolarHBondContact O-N 2.96Å; L270-N272 VanDerWaalsContact O-N 3.14Å; N272-L475 HydrophobicContact CB-CB 3.88Å |
| 273 | F | 97.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.7 | 173 | -77.6 | -109.2 | 0 | 0 | 0 | 110 | E180 L186 W255 M257 L270 F275 | E180-F273 HydrophobicContact CB-CE1 4.11Å; E180-F273 HydrophobicContact CB-CZ 4.48Å; E180-F273 HydrophobicContact CG-CE1 4.09Å; L186-F273 HydrophobicContact CB-CE1 4.04Å; L186-F273 HydrophobicContact CB-CE2 4.17Å; L186-F273 HydrophobicContact CB-CZ 3.84Å; L186-F273 HydrophobicContact CD1-CB 4.42Å; L186-F273 HydrophobicContact CD1-CD1 4.19Å; L186-F273 HydrophobicContact CD1-CD2 4.24Å; L186-F273 HydrophobicContact CD1-CG 4.03Å; L186-F273 HydrophobicContact CD2-CD1 3.85Å; L186-F273 HydrophobicContact CD2-CE1 3.86Å; L186-F273 HydrophobicContact CG-CD1 4.42Å; L186-F273 HydrophobicContact CG-CE1 4.37Å; W255-F273 HydrophobicContact CB-CB 4.47Å; W255-F273 HydrophobicContact CB-CD1 3.49Å; W255-F273 VanDerWaalsContact CB-CD1 3.49Å; W255-F273 HydrophobicContact CB-CD2 4.16Å; W255-F273 HydrophobicContact CB-CE1 3.62Å; W255-F273 HydrophobicContact CB-CE2 4.29Å; W255-F273 HydrophobicContact CB-CG 3.79Å; W255-F273 HydrophobicContact CB-CZ 4.04Å; W255-F273 AromaticContact CD1-CD2 3.81Å; W255-F273 AromaticContact CD1-CE2 3.41Å; W255-F273 VanDerWaalsContact CD1-CE2 3.41Å; W255-F273 AromaticContact CD1-CZ 3.55Å; W255-F273 AromaticContact CD2-CE1 3.73Å; W255-F273 HydrophobicContact CD2-CE1 3.73Å; W255-F273 HydrophobicContact CD2-CE2 4.26Å; W255-F273 AromaticContact CD2-CZ 3.58Å; W255-F273 HydrophobicContact CD2-CZ 3.58Å; W255-F273 AromaticContact CE2-CZ 3.78Å; W255-F273 HydrophobicContact CE3-CE1 4.08Å; W255-F273 HydrophobicContact CE3-CZ 4.24Å; W255-F273 AromaticContact CG-CD1 3.89Å; W255-F273 HydrophobicContact CG-CD1 3.89Å; W255-F273 HydrophobicContact CG-CD2 4.08Å; W255-F273 AromaticContact CG-CE1 3.52Å; W255-F273 HydrophobicContact CG-CE1 3.52Å; W255-F273 AromaticContact CG-CE2 3.76Å; W255-F273 HydrophobicContact CG-CE2 3.76Å; W255-F273 HydrophobicContact CG-CG 4.16Å; W255-F273 AromaticContact CG-CZ 3.46Å; W255-F273 HydrophobicContact CG-CZ 3.46Å; W255-F273 VanDerWaalsContact CG-CZ 3.46Å; W255-F273 AromaticContact NE1-CE2 3.76Å; W255-F273 AromaticContact NE1-CZ 3.74Å; W255-F273 CarbonylContact O-C 3.52Å; W255-F273 WeakPolarHBondContact O-CA 3.48Å; M257-F273 HydrophobicContact CG-CD1 3.83Å; M257-F273 HydrophobicContact SD-CD1 3.82Å; M257-F273 HydrophobicContact SD-CE1 4.04Å; L270-F273 HydrophobicContact CB-CD2 3.84Å; L270-F273 HydrophobicContact CB-CE2 4.47Å; L270-F273 HydrophobicContact CD1-CD2 4.37Å; L270-F273 HydrophobicContact CD1-CE2 4.2Å; L270-F273 HydrophobicContact CG-CD2 4.5Å; L270-F273 PolarHBondContact O-N 3.27Å; F273-F275 HydrophobicContact CB-CE2 4.07Å |
| 274 | K | 97.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 31.4 Ų | 31.4 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.8 | -175.2 | -52.6 | -63.4 | 170.8 | -177.7 | 0 | 110.2 | I254 W255 L256 M257 P271 W462 | I254-K274 HydrophobicContact CG2-CG 4.11Å; W255-K274 PolarHBondContact O-N 3.1Å; L256-K274 CarbonylContact C-O 3.55Å; L256-K274 WeakPolarHBondContact CA-O 3.49Å; L256-K274 HydrophobicContact CD2-CB 3.9Å; L256-K274 HydrophobicContact CD2-CG 4.46Å; M257-K274 PolarHBondContact N-O 3.39Å; P271-K274 WeakPolarHBondContact O-CE 3.29Å; P271-K274 PolarHBondContact O-NZ 3.3Å; K274-W462 HydrophobicContact CB-CG 4.48Å; K274-W462 HydrophobicContact CD-CD2 4Å; K274-W462 HydrophobicContact CD-CG 4.39Å; K274-W462 HydrophobicContact CD-CH2 4.41Å; K274-W462 HydrophobicContact CD-CZ2 3.65Å; K274-W462 VanDerWaalsContact CE-CH2 3.42Å; K274-W462 HydrophobicContact CG-CD2 3.8Å; K274-W462 HydrophobicContact CG-CG 3.79Å; K274-W462 HydrophobicContact CG-CZ2 4.4Å |
| 275 | F | 96.8 | Very high | 96 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 101.4 | -167.7 | -74.2 | -99.1 | 0 | 0 | 0 | 109.3 | M257 T259 F260 W261 L269 F273 | M257-F275 HydrophobicContact CB-CD1 3.73Å; M257-F275 HydrophobicContact CB-CE1 3.78Å; M257-F275 HydrophobicContact CB-CG 4.14Å; M257-F275 HydrophobicContact CB-CZ 4.21Å; M257-F275 HydrophobicContact CG-CD1 4.36Å; M257-F275 HydrophobicContact CG-CE1 3.97Å; M257-F275 HydrophobicContact CG-CE2 4.29Å; M257-F275 HydrophobicContact CG-CZ 3.93Å; M257-F275 CarbonylContact O-C 3.55Å; M257-F275 WeakPolarHBondContact O-CA 3.47Å; T259-F275 CarbonylContact O-C 3.52Å; T259-F275 WeakPolarHBondContact O-CA 3.46Å; T259-F275 VanDerWaalsContact O-CB 3.3Å; T259-F275 WeakPolarHBondContact O-CB 3.37Å; F260-F275 HydrophobicContact CD2-CB 3.91Å; F260-F275 WeakPolarHBondContact CD2-O 3.46Å; W261-F275 HydrophobicContact CH2-CD1 4.38Å; W261-F275 HydrophobicContact CH2-CE1 4.14Å; W261-F275 HydrophobicContact CH2-CZ 4.32Å; W261-F275 HydrophobicContact CZ2-CD1 4.4Å; W261-F275 HydrophobicContact CZ2-CD2 4.47Å; W261-F275 HydrophobicContact CZ2-CG 4.36Å; L269-F275 HydrophobicContact CD1-CD2 4.33Å; L269-F275 HydrophobicContact CD1-CE2 4.17Å; L269-F275 HydrophobicContact CD2-CD2 4.09Å; L269-F275 HydrophobicContact CD2-CE1 4.34Å; L269-F275 HydrophobicContact CD2-CE2 3.2Å; L269-F275 HydrophobicContact CD2-CZ 3.34Å; L269-F275 HydrophobicContact CG-CE2 4.19Å; F273-F275 HydrophobicContact CB-CE2 4.07Å |
| 276 | V | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | trans | -112.6 | 36.3 | -171.9 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | L256 M257 G278 I279 E458 A459 | L256-V276 HydrophobicContact CB-CG2 3.9Å; L256-V276 HydrophobicContact CD2-CG1 4.31Å; M257-V276 WeakPolarHBondContact O-CG2 3.45Å; M257-V276 PolarHBondContact O-N 3.38Å; V276-G278 PolarHBondContact O-N 3.42Å; V276-I279 HydrophobicContact CB-CG2 3.55Å; V276-I279 HydrophobicContact CG2-CG2 3.77Å; V276-I279 WeakPolarHBondContact O-CG2 3.19Å; V276-I279 PolarHBondContact O-N 3.38Å; V276-E458 HydrophobicContact CG1-CB 4.18Å; V276-E458 HydrophobicContact CG1-CG 3.99Å; V276-A459 HydrophobicContact CB-CB 4.46Å; V276-A459 HydrophobicContact CG1-CB 4.16Å | ||
| 277 | G | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T259 R451 P455 | T259-G277 PolarHBondContact O-N 2.85Å; G277-R451 PolarHBondContact O-NH1 2.8Å; G277-R451 PolarHBondContact O-NH2 2.73Å; G277-P455 WeakPolarHBondContact O-CG 3.38Å |
| 278 | G | 95.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 22.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | V276 H280 C281 | V276-G278 PolarHBondContact O-N 3.42Å; G278-H280 PolarHBondContact O-N 3.46Å; G278-C281 VanDerWaalsContact O-CB 3.31Å; G278-C281 WeakPolarHBondContact O-CB 3.36Å; G278-C281 PolarHBondContact O-N 3.1Å |
| 279 | I | 95.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -27.7 | 177.6 | 52 | 172.7 | 0 | 0 | 0 | 115.8 | N36 V40 V276 P455 R456 A459 | N36-I279 WeakPolarHBondContact ND2-CG1 3.16Å; N36-I279 WeakPolarHBondContact OD1-CD1 3.48Å; N36-I279 WeakPolarHBondContact OD1-CG1 3.3Å; V40-I279 HydrophobicContact CG2-CB 4.44Å; V40-I279 HydrophobicContact CG2-CD1 3.9Å; V276-I279 HydrophobicContact CB-CG2 3.55Å; V276-I279 HydrophobicContact CG2-CG2 3.77Å; V276-I279 WeakPolarHBondContact O-CG2 3.19Å; V276-I279 PolarHBondContact O-N 3.38Å; I279-P455 HydrophobicContact CG2-CB 3.88Å; I279-P455 WeakPolarHBondContact CG2-O 3.49Å; I279-R456 PolarHBondContact O-NE 3.3Å; I279-A459 HydrophobicContact CG2-CB 4.3Å |
| 280 | H | 93.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.06 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -15.5 | 178.9 | 63.1 | -72.7 | 0 | 0 | 0 | 113.6 | N36 P39 G278 N377 E381 | N36-H280 PolarHBondContact ND2-ND1 3.02Å; P39-H280 HydrophobicContact CG-CB 4.32Å; G278-H280 PolarHBondContact O-N 3.46Å; H280-N377 VanDerWaalsContact CE1-CA 3.47Å; H280-N377 WeakPolarHBondContact CE1-CA 3.25Å; H280-N377 PolarHBondContact CE1-O 2.88Å; H280-N377 WeakPolarHBondContact NE2-CA 3.33Å; H280-N377 PolarHBondContact NE2-O 3.15Å; H280-E381 IonicContact CD2-OE1 3.97Å |
| 281 | C | 94.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 8% | 0.081 | 28% | 0.282 | C | S | . | . | trans | -65.3 | 148.6 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | G278 Y380 Y384 | G278-C281 VanDerWaalsContact O-CB 3.31Å; G278-C281 WeakPolarHBondContact O-CB 3.36Å; G278-C281 PolarHBondContact O-N 3.1Å; C281-Y380 VanDerWaalsContact SG-C 3.52Å; C281-Y384 HydrophobicContact CB-CD2 3.36Å; C281-Y384 HydrophobicContact CB-CE2 3.88Å; C281-Y384 HydrophobicContact CB-CG 3.79Å | ||
| 282 | K | 93.7 | Very high | 96.5 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | trans | -154.7 | 155.3 | -177.8 | 62.2 | -167.6 | 175.8 | -170.4 | 0 | 110.9 | N359 Y384 | K282-N359 VanDerWaalsContact CG-ND2 3.34Å; K282-N359 WeakPolarHBondContact CG-ND2 3.37Å; K282-N359 PolarHBondContact O-ND2 3.06Å; K282-N359 PolarHBondContact O-OD1 3.4Å; K282-Y384 WeakPolarHBondContact O-CE1 3.3Å | ||
| 283 | P | 96.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 145.4 | 170.8 | -24.5 | 34.3 | 0 | 0 | 0 | 111.3 | Y384 | P283-Y384 VanDerWaalsContact CD-OH 3.3Å; P283-Y384 WeakPolarHBondContact CD-OH 3.32Å |
| 284 | A | 97.1 | Very high | 96.5 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 135.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D360 | A284-D360 WeakPolarHBondContact CA-OD1 3.45Å; A284-D360 HydrophobicContact CB-CB 4.49Å |
| 285 | K | 97.1 | Very high | 96.5 | Very high | 137 Ų | 137 | 59.1 Ų | 59.1 | 60% | 0.596 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -93 | 158.9 | 170.7 | -64.9 | -174.9 | 179.3 | -174.4 | 0 | 110.7 | L287 D360 | K285-L287 PolarHBondContact O-N 3.47Å; K285-D360 PolarHBondContact N-OD1 3.15Å |
| 286 | P | 97.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 63 Ų | 63 | 84% | 0.844 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 135.6 | 173.3 | -25.8 | 35.1 | 0 | 0 | 0 | 112.3 | ||
| 287 | L | 97.7 | Very high | 96.6 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 150.7 | 180 | -63 | 175.9 | 0 | 0 | 0 | 111.5 | K285 K289 I291 E292 V295 P357 D360 L361 | K285-L287 PolarHBondContact O-N 3.47Å; L287-K289 PolarHBondContact O-N 2.98Å; L287-I291 HydrophobicContact CD1-CG2 4.24Å; L287-E292 HydrophobicContact CB-CB 4.25Å; L287-E292 WeakPolarHBondContact CD1-OE2 3.32Å; L287-V295 HydrophobicContact CD1-CG2 4.06Å; L287-P357 HydrophobicContact CD2-CG 3.85Å; L287-D360 HydrophobicContact CD2-CB 3.67Å; L287-L361 HydrophobicContact CD1-CD2 3.7Å; L287-L361 HydrophobicContact CD2-CD2 4.04Å; L287-L361 HydrophobicContact CD2-CG 4.04Å |
| 288 | P | 97.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 47% | 0.468 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 137 | 169.2 | -25.3 | 34.1 | 0 | 0 | 0 | 111.4 | K290 I291 E292 | P288-K290 PolarHBondContact O-N 3.49Å; P288-I291 HydrophobicContact CB-CD1 4.44Å; P288-I291 HydrophobicContact CB-CG1 4.42Å; P288-I291 HydrophobicContact CG-CD1 4.14Å; P288-I291 WeakPolarHBondContact O-CA 3.4Å; P288-I291 WeakPolarHBondContact O-CB 3.48Å; P288-I291 PolarHBondContact O-N 2.86Å; P288-E292 PolarHBondContact O-N 2.8Å |
| 289 | K | 96.7 | Very high | 96.6 | Very high | 195 Ų | 195 | 68.3 Ų | 68.3 | 85% | 0.848 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -47.2 | -38.9 | -173.3 | -66.9 | -175.2 | 179.3 | -179.7 | 0 | 114.3 | L287 K293 | L287-K289 PolarHBondContact O-N 2.98Å; K289-K293 WeakPolarHBondContact O-CB 3.48Å; K289-K293 PolarHBondContact O-N 3Å |
| 290 | K | 95.3 | Very high | 96.7 | Very high | 172 Ų | 172 | 75.7 Ų | 75.7 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.4 | -39.8 | 179.3 | -174.8 | 179.5 | 178 | -177.1 | 0 | 112.8 | P288 | P288-K290 PolarHBondContact O-N 3.49Å |
| 291 | I | 97.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 76.5 Ų | 76.5 | 9% | 0.087 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.6 | -47.6 | 176.9 | -60.9 | -176.6 | 0 | 0 | 0 | 108.7 | L287 P288 K293 F294 V295 L335 Y353 P357 L361 | L287-I291 HydrophobicContact CD1-CG2 4.24Å; P288-I291 HydrophobicContact CB-CD1 4.44Å; P288-I291 HydrophobicContact CB-CG1 4.42Å; P288-I291 HydrophobicContact CG-CD1 4.14Å; P288-I291 WeakPolarHBondContact O-CA 3.4Å; P288-I291 WeakPolarHBondContact O-CB 3.48Å; P288-I291 PolarHBondContact O-N 2.86Å; I291-K293 VanDerWaalsContact C-N 3.33Å; I291-K293 PolarHBondContact O-N 2.88Å; I291-F294 WeakPolarHBondContact O-CA 3.41Å; I291-F294 WeakPolarHBondContact O-CB 3.44Å; I291-F294 PolarHBondContact O-N 3.01Å; I291-V295 HydrophobicContact CG2-CG2 4.31Å; I291-V295 WeakPolarHBondContact O-CG2 3.2Å; I291-V295 PolarHBondContact O-N 3.32Å; I291-L335 HydrophobicContact CG2-CD2 3.69Å; I291-Y353 HydrophobicContact CD1-CE1 4.16Å; I291-Y353 HydrophobicContact CG1-CE1 4.02Å; I291-P357 HydrophobicContact CD1-CG 4.13Å; I291-L361 HydrophobicContact CG2-CD2 3.98Å |
| 292 | E | 97.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 76 Ų | 76 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -53.6 | -47.7 | 177.8 | -174.5 | 58.4 | -149.6 | 0 | 0 | 111.9 | L287 P288 F294 V295 Q296 H364 | L287-E292 HydrophobicContact CB-CB 4.25Å; L287-E292 WeakPolarHBondContact CD1-OE2 3.32Å; P288-E292 PolarHBondContact O-N 2.8Å; E292-F294 PolarHBondContact O-N 3.1Å; E292-V295 PolarHBondContact O-N 3.11Å; E292-V295 VanDerWaalsContact O-N 3.08Å; E292-Q296 HydrophobicContact CG-CG 4.37Å; E292-Q296 WeakPolarHBondContact O-CG 3.47Å; E292-Q296 PolarHBondContact O-N 3.28Å; E292-Q296 WeakPolarHBondContact OE1-CG 3.42Å; E292-Q296 PolarHBondContact OE1-NE2 2.87Å; E292-H364 IonicContact OE1-NE2 3.43Å; E292-H364 IonicContact OE2-CD2 2.6Å; E292-H364 IonicContact OE2-NE2 3.25Å |
| 293 | K | 97.5 | Very high | 97.3 | Very high | 170 Ų | 170 | 71.6 Ų | 71.6 | 74% | 0.739 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.3 | -36 | 177.1 | -175.2 | 175.6 | -179.7 | 177.6 | 0 | 113 | K289 I291 S297 | K289-K293 WeakPolarHBondContact O-CB 3.48Å; K289-K293 PolarHBondContact O-N 3Å; I291-K293 VanDerWaalsContact C-N 3.33Å; I291-K293 PolarHBondContact O-N 2.88Å; K293-S297 PolarHBondContact O-N 3.47Å |
| 294 | F | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.3 | -38.2 | 176.5 | -178.4 | -111 | 0 | 0 | 0 | 112.4 | I291 E292 Q296 S297 K333 L335 N349 K351 | I291-F294 WeakPolarHBondContact O-CA 3.41Å; I291-F294 WeakPolarHBondContact O-CB 3.44Å; I291-F294 PolarHBondContact O-N 3.01Å; E292-F294 PolarHBondContact O-N 3.1Å; F294-Q296 VanDerWaalsContact C-N 3.34Å; F294-S297 PolarHBondContact O-N 3.41Å; F294-S297 PolarHBondContact O-OG 2.64Å; F294-K333 HydrophobicContact CE1-CB 3.89Å; F294-K333 HydrophobicContact CE2-CB 4.46Å; F294-K333 HydrophobicContact CE2-CD 3.88Å; F294-K333 HydrophobicContact CE2-CG 4.35Å; F294-K333 HydrophobicContact CZ-CB 3.87Å; F294-K333 HydrophobicContact CZ-CD 3.94Å; F294-K333 HydrophobicContact CZ-CG 4.24Å; F294-L335 HydrophobicContact CD1-CD1 4.15Å; F294-L335 HydrophobicContact CD1-CD2 4.4Å; F294-L335 HydrophobicContact CD1-CG 4.03Å; F294-L335 HydrophobicContact CE1-CD1 4.13Å; F294-L335 HydrophobicContact CE1-CG 4.02Å; F294-N349 WeakPolarHBondContact CZ-O 3.43Å; F294-K351 HydrophobicContact CB-CD 4.27Å; F294-K351 HydrophobicContact CD1-CB 4.44Å; F294-K351 HydrophobicContact CD1-CD 3.86Å; F294-K351 HydrophobicContact CD1-CG 4.35Å; F294-K351 HydrophobicContact CD2-CD 3.5Å; F294-K351 VanDerWaalsContact CD2-CD 3.5Å; F294-K351 HydrophobicContact CD2-CG 4.11Å; F294-K351 VanDerWaalsContact CD2-NZ 3.33Å; F294-K351 HydrophobicContact CE1-CB 3.9Å; F294-K351 HydrophobicContact CE1-CD 3.96Å; F294-K351 HydrophobicContact CE1-CG 3.93Å; F294-K351 HydrophobicContact CE2-CB 4.49Å; F294-K351 HydrophobicContact CE2-CD 3.59Å; F294-K351 VanDerWaalsContact CE2-CE 3.47Å; F294-K351 HydrophobicContact CE2-CG 3.65Å; F294-K351 HydrophobicContact CG-CD 3.6Å; F294-K351 HydrophobicContact CG-CG 4.41Å; F294-K351 HydrophobicContact CZ-CB 3.91Å; F294-K351 HydrophobicContact CZ-CD 3.81Å; F294-K351 HydrophobicContact CZ-CG 3.54Å |
| 295 | V | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.6 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | L287 I291 E292 S297 S298 I303 L335 L361 H364 K366 | L287-V295 HydrophobicContact CD1-CG2 4.06Å; I291-V295 HydrophobicContact CG2-CG2 4.31Å; I291-V295 WeakPolarHBondContact O-CG2 3.2Å; I291-V295 PolarHBondContact O-N 3.32Å; E292-V295 PolarHBondContact O-N 3.11Å; E292-V295 VanDerWaalsContact O-N 3.08Å; V295-S297 VanDerWaalsContact C-N 3.33Å; V295-S297 PolarHBondContact O-N 3.24Å; V295-S298 WeakPolarHBondContact O-CB 3.28Å; V295-S298 PolarHBondContact O-N 2.99Å; V295-S298 PolarHBondContact O-OG 3.29Å; V295-I303 HydrophobicContact CB-CD1 4.46Å; V295-I303 HydrophobicContact CB-CG2 4.28Å; V295-I303 HydrophobicContact CG1-CD1 3.93Å; V295-I303 HydrophobicContact CG1-CG2 3.95Å; V295-I303 HydrophobicContact CG2-CD1 3.79Å; V295-I303 HydrophobicContact CG2-CG2 4.32Å; V295-L335 HydrophobicContact CG2-CD1 4.18Å; V295-L335 HydrophobicContact CG2-CD2 4.4Å; V295-L361 HydrophobicContact CG2-CD2 4.06Å; V295-H364 WeakPolarHBondContact CG1-CE1 3.36Å; V295-H364 WeakPolarHBondContact CG1-ND1 3.41Å; V295-K366 HydrophobicContact CG1-CB 4.22Å; V295-K366 HydrophobicContact CG1-CD 4.22Å |
| 296 | Q | 97.9 | Very high | 97.6 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -29.7 | 179.9 | -66.6 | -61 | -19.3 | 0 | 0 | 113.4 | E292 F294 S298 G299 | E292-Q296 HydrophobicContact CG-CG 4.37Å; E292-Q296 WeakPolarHBondContact O-CG 3.47Å; E292-Q296 PolarHBondContact O-N 3.28Å; E292-Q296 WeakPolarHBondContact OE1-CG 3.42Å; E292-Q296 PolarHBondContact OE1-NE2 2.87Å; F294-Q296 VanDerWaalsContact C-N 3.34Å; Q296-S298 PolarHBondContact O-N 3.24Å; Q296-S298 VanDerWaalsContact O-N 3.09Å; Q296-G299 PolarHBondContact O-N 3.05Å |
| 297 | S | 97.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.2 | 177.2 | 75.2 | 0 | 0 | 0 | 0 | 114.5 | K293 F294 V295 G299 | K293-S297 PolarHBondContact O-N 3.47Å; F294-S297 PolarHBondContact O-N 3.41Å; F294-S297 PolarHBondContact O-OG 2.64Å; V295-S297 VanDerWaalsContact C-N 3.33Å; V295-S297 PolarHBondContact O-N 3.24Å; S297-G299 VanDerWaalsContact C-N 3.3Å |
| 298 | S | 97.7 | Very high | 97.5 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.3 | 174.2 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | V295 Q296 D300 A301 G302 | V295-S298 WeakPolarHBondContact O-CB 3.28Å; V295-S298 PolarHBondContact O-N 2.99Å; V295-S298 PolarHBondContact O-OG 3.29Å; Q296-S298 PolarHBondContact O-N 3.24Å; Q296-S298 VanDerWaalsContact O-N 3.09Å; S298-D300 PolarHBondContact O-N 3.27Å; S298-A301 PolarHBondContact O-N 2.8Å; S298-G302 VanDerWaalsContact CB-O 3.22Å; S298-G302 WeakPolarHBondContact CB-O 3.49Å; S298-G302 WeakPolarHBondContact OG-CA 3.27Å |
| 299 | G | 96.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -139.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q296 S297 K366 | Q296-G299 PolarHBondContact O-N 3.05Å; S297-G299 VanDerWaalsContact C-N 3.3Å; G299-K366 PolarHBondContact O-NZ 2.94Å |
| 300 | D | 96.3 | Very high | 96.5 | Very high | 157 Ų | 157 | 41 Ų | 41 | 84% | 0.84 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20.8 | -179.4 | -63 | -29.4 | 0 | 0 | 0 | 113.4 | S298 G302 | S298-D300 PolarHBondContact O-N 3.27Å; D300-G302 PolarHBondContact O-N 3Å |
| 301 | A | 97.8 | Very high | 96 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S298 P331 Q332 K368 | S298-A301 PolarHBondContact O-N 2.8Å; A301-P331 HydrophobicContact CB-CB 4.1Å; A301-P331 HydrophobicContact CB-CG 4.5Å; A301-Q332 WeakPolarHBondContact O-CG 3.38Å; A301-Q332 PolarHBondContact O-NE2 3.07Å; A301-K368 WeakPolarHBondContact O-CG 3.26Å |
| 302 | G | 98.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | trans | 77.6 | -166.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S298 D300 Q332 K333 K366 | S298-G302 VanDerWaalsContact CB-O 3.22Å; S298-G302 WeakPolarHBondContact CB-O 3.49Å; S298-G302 WeakPolarHBondContact OG-CA 3.27Å; D300-G302 PolarHBondContact O-N 3Å; G302-Q332 WeakPolarHBondContact O-CA 3.41Å; G302-Q332 WeakPolarHBondContact O-CB 3.26Å; G302-K333 PolarHBondContact O-N 3.02Å; G302-K333 VanDerWaalsContact O-N 3.13Å; G302-K366 CarbonylContact C-O 3.58Å; G302-K366 VanDerWaalsContact CA-O 3.28Å; G302-K366 WeakPolarHBondContact CA-O 3.34Å | ||
| 303 | I | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 155.3 | -173.6 | 72.6 | 174.9 | 0 | 0 | 0 | 113.2 | V295 K333 L335 L361 K366 T367 K368 | V295-I303 HydrophobicContact CB-CD1 4.46Å; V295-I303 HydrophobicContact CB-CG2 4.28Å; V295-I303 HydrophobicContact CG1-CD1 3.93Å; V295-I303 HydrophobicContact CG1-CG2 3.95Å; V295-I303 HydrophobicContact CG2-CD1 3.79Å; V295-I303 HydrophobicContact CG2-CG2 4.32Å; I303-K333 CarbonylContact C-O 3.5Å; I303-K333 WeakPolarHBondContact CA-O 3.46Å; I303-K333 WeakPolarHBondContact CB-O 3.39Å; I303-K333 HydrophobicContact CG2-CB 4.23Å; I303-L335 HydrophobicContact CB-CD1 4.13Å; I303-L335 HydrophobicContact CD1-CD1 3.95Å; I303-L335 HydrophobicContact CG2-CD1 4.37Å; I303-L361 HydrophobicContact CD1-CD2 4.17Å; I303-K366 PolarHBondContact N-O 3.05Å; I303-T367 WeakPolarHBondContact CD1-OG1 3.36Å; I303-T367 WeakPolarHBondContact CG1-OG1 3.42Å; I303-K368 PolarHBondContact O-N 2.73Å |
| 304 | I | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131 | 167 | -62.7 | 162.6 | 0 | 0 | 0 | 107.8 | L330 Q332 K333 V334 L335 I371 I428 I432 | I304-L330 HydrophobicContact CD1-CD1 3.7Å; I304-Q332 HydrophobicContact CD1-CB 3.66Å; I304-Q332 HydrophobicContact CD1-CG 3.94Å; I304-Q332 HydrophobicContact CG1-CB 3.87Å; I304-Q332 HydrophobicContact CG1-CG 3.99Å; I304-K333 PolarHBondContact N-O 3.09Å; I304-V334 HydrophobicContact CB-CG1 4.45Å; I304-V334 HydrophobicContact CB-CG2 4.26Å; I304-V334 HydrophobicContact CD1-CG2 4.32Å; I304-V334 HydrophobicContact CG2-CG1 4.48Å; I304-V334 WeakPolarHBondContact O-CA 3.39Å; I304-L335 PolarHBondContact O-N 3.13Å; I304-I371 HydrophobicContact CG2-CD1 3.7Å; I304-I371 HydrophobicContact CG2-CG1 3.77Å; I304-I428 HydrophobicContact CD1-CG2 3.61Å; I304-I432 HydrophobicContact CD1-CD1 4.06Å; I304-I432 HydrophobicContact CG1-CD1 4.14Å |
| 305 | V | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.8 | 170.1 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | M356 Q358 L361 L362 T367 A369 F370 I371 | V305-M356 HydrophobicContact CG1-CE 3.6Å; V305-M356 HydrophobicContact CG1-SD 4.22Å; V305-Q358 HydrophobicContact CG1-CG 4.43Å; V305-L361 HydrophobicContact CG2-CB 3.74Å; V305-L362 HydrophobicContact CB-CD2 4.14Å; V305-L362 HydrophobicContact CG1-CD2 4.43Å; V305-L362 HydrophobicContact CG2-CD2 4.21Å; V305-T367 HydrophobicContact CG2-CG2 4.09Å; V305-A369 PolarHBondContact N-O 2.88Å; V305-F370 HydrophobicContact CB-CD2 3.99Å; V305-F370 HydrophobicContact CG1-CD2 3.98Å; V305-F370 HydrophobicContact CG1-CE2 4.05Å; V305-F370 CarbonylContact O-C 3.57Å; V305-F370 WeakPolarHBondContact O-CA 3.45Å; V305-F370 WeakPolarHBondContact O-CD2 3.17Å; V305-I371 PolarHBondContact O-N 2.64Å |
| 306 | F | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 117.1 | 178.6 | 179.2 | -162.4 | 0 | 0 | 0 | 111.2 | L308 I323 L327 V334 L335 W336 R337 M356 I371 | F306-L308 HydrophobicContact CE2-CD1 4.32Å; F306-L308 HydrophobicContact CE2-CD2 3.75Å; F306-L308 HydrophobicContact CE2-CG 3.74Å; F306-L308 HydrophobicContact CZ-CD1 4.35Å; F306-L308 HydrophobicContact CZ-CD2 4.47Å; F306-L308 HydrophobicContact CZ-CG 4.26Å; F306-I323 HydrophobicContact CD1-CG2 4.38Å; F306-I323 HydrophobicContact CE1-CG2 3.44Å; F306-I323 VanDerWaalsContact CE1-CG2 3.44Å; F306-I323 HydrophobicContact CZ-CD1 4.38Å; F306-I323 HydrophobicContact CZ-CG2 4.04Å; F306-L327 HydrophobicContact CD1-CD1 3.97Å; F306-L327 HydrophobicContact CE1-CD1 4.29Å; F306-V334 HydrophobicContact CB-CG1 4.32Å; F306-L335 PolarHBondContact N-O 3.01Å; F306-W336 HydrophobicContact CB-CB 4.24Å; F306-W336 HydrophobicContact CB-CG 4.29Å; F306-W336 HydrophobicContact CD1-CB 4.06Å; F306-W336 AromaticContact CD1-CD1 3.23Å; F306-W336 AromaticContact CD1-CD2 3.58Å; F306-W336 HydrophobicContact CD1-CD2 3.58Å; F306-W336 AromaticContact CD1-CE2 3.62Å; F306-W336 HydrophobicContact CD1-CE3 4.36Å; F306-W336 AromaticContact CD1-CG 3.38Å; F306-W336 HydrophobicContact CD1-CG 3.38Å; F306-W336 HydrophobicContact CD1-CZ2 4.43Å; F306-W336 AromaticContact CD1-NE1 3.4Å; F306-W336 AromaticContact CE1-CD1 3.55Å; F306-W336 AromaticContact CE1-CD2 3.62Å; F306-W336 HydrophobicContact CE1-CD2 3.62Å; F306-W336 AromaticContact CE1-CE2 3.19Å; F306-W336 HydrophobicContact CE1-CE3 4.34Å; F306-W336 AromaticContact CE1-CG 3.87Å; F306-W336 HydrophobicContact CE1-CG 3.87Å; F306-W336 HydrophobicContact CE1-CH2 4.33Å; F306-W336 AromaticContact CE1-CZ2 3.61Å; F306-W336 HydrophobicContact CE1-CZ2 3.61Å; F306-W336 AromaticContact CE1-NE1 3.15Å; F306-W336 AromaticContact CG-CD1 3.6Å; F306-W336 HydrophobicContact CG-CG 4.03Å; F306-W336 AromaticContact CZ-CE2 3.94Å; F306-W336 HydrophobicContact CZ-CZ2 4.21Å; F306-W336 AromaticContact CZ-NE1 3.6Å; F306-W336 CarbonylContact O-C 3.57Å; F306-W336 WeakPolarHBondContact O-CA 3.15Å; F306-R337 PolarHBondContact O-N 3.32Å; F306-M356 WeakPolarHBondContact O-CE 3.21Å; F306-I371 WeakPolarHBondContact CA-O 3.46Å; F306-I371 HydrophobicContact CB-CB 3.99Å; F306-I371 HydrophobicContact CB-CD1 4.31Å; F306-I371 HydrophobicContact CD1-CD1 4.49Å; F306-I371 HydrophobicContact CD2-CB 3.51Å; F306-I371 HydrophobicContact CD2-CG2 3.35Å; F306-I371 WeakPolarHBondContact CD2-O 3.09Å; F306-I371 HydrophobicContact CE2-CB 4.21Å; F306-I371 HydrophobicContact CE2-CG2 3.52Å; F306-I371 HydrophobicContact CG-CB 3.83Å; F306-I371 HydrophobicContact CG-CD1 4.26Å; F306-I371 HydrophobicContact CG-CG2 3.99Å; F306-I371 HydrophobicContact CZ-CG2 4.24Å |
| 307 | S | 97.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 129.5 | -179 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | G309 Q358 I371 T372 H373 | S307-G309 PolarHBondContact OG-N 2.75Å; S307-Q358 PolarHBondContact OG-OE1 3.3Å; S307-I371 PolarHBondContact N-O 2.98Å; S307-T372 WeakPolarHBondContact O-CA 3.34Å; S307-H373 PolarHBondContact O-N 3.46Å |
| 308 | L | 95.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -97.6 | 21 | 172.8 | -63.1 | 178.6 | 0 | 0 | 0 | 113.5 | F306 V312 L315 H373 I392 M394 | F306-L308 HydrophobicContact CE2-CD1 4.32Å; F306-L308 HydrophobicContact CE2-CD2 3.75Å; F306-L308 HydrophobicContact CE2-CG 3.74Å; F306-L308 HydrophobicContact CZ-CD1 4.35Å; F306-L308 HydrophobicContact CZ-CD2 4.47Å; F306-L308 HydrophobicContact CZ-CG 4.26Å; L308-V312 HydrophobicContact CB-CB 3.99Å; L308-V312 HydrophobicContact CB-CG1 4.12Å; L308-V312 HydrophobicContact CD1-CG1 4.19Å; L308-L315 HydrophobicContact CD1-CD1 3.92Å; L308-L315 HydrophobicContact CD1-CD2 4Å; L308-L315 HydrophobicContact CD1-CG 4.21Å; L308-H373 HydrophobicContact CB-CB 4.3Å; L308-H373 HydrophobicContact CD2-CB 3.89Å; L308-H373 PolarHBondContact O-CD2 2.97Å; L308-I392 HydrophobicContact CD2-CB 4.49Å; L308-M394 HydrophobicContact CD1-CE 4.34Å; L308-M394 HydrophobicContact CD1-SD 4.19Å; L308-M394 HydrophobicContact CD2-CE 4.05Å; L308-M394 HydrophobicContact CD2-CG 4.45Å | ||
| 309 | G | 89.9 | Confident | 94 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 168.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S307 M311 R337 | S307-G309 PolarHBondContact OG-N 2.75Å; G309-M311 PolarHBondContact O-N 2.79Å; G309-M311 VanDerWaalsContact O-N 3.12Å; G309-R337 PolarHBondContact O-NH1 3.41Å |
| 310 | S | 82.8 | Confident | 94.1 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.1 | -169.8 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | R337 | S310-R337 PolarHBondContact O-NH2 2.81Š|
| 311 | M | 84.2 | Confident | 94.2 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 20% | 0.197 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -36.4 | -168.7 | -78.7 | -175.8 | 179.4 | 0 | 0 | 114.6 | A31 F88 G309 K313 F395 | A31-M311 HydrophobicContact CB-CE 3.23Å; A31-M311 HydrophobicContact CB-CG 4.49Å; F88-M311 HydrophobicContact CE1-CB 4.32Å; F88-M311 HydrophobicContact CE1-CG 4.36Å; F88-M311 HydrophobicContact CE2-CE 3.92Å; F88-M311 HydrophobicContact CE2-CG 4.01Å; F88-M311 HydrophobicContact CE2-SD 3.55Å; F88-M311 VanDerWaalsContact CE2-SD 3.55Å; F88-M311 HydrophobicContact CZ-CB 3.62Å; F88-M311 HydrophobicContact CZ-CE 4.31Å; F88-M311 HydrophobicContact CZ-CG 3.41Å; F88-M311 VanDerWaalsContact CZ-CG 3.41Å; F88-M311 HydrophobicContact CZ-SD 3.52Å; F88-M311 VanDerWaalsContact CZ-SD 3.52Å; G309-M311 PolarHBondContact O-N 2.79Å; G309-M311 VanDerWaalsContact O-N 3.12Å; M311-K313 PolarHBondContact O-N 2.66Å; M311-F395 HydrophobicContact CB-CE1 4.33Å; M311-F395 HydrophobicContact CB-CZ 4.02Å; M311-F395 HydrophobicContact CG-CZ 4.39Å; M311-F395 HydrophobicContact SD-CE2 3.78Å; M311-F395 HydrophobicContact SD-CZ 3.48Å; M311-F395 WeakPolarHBondContact SD-CZ 3.4Å |
| 312 | V | 87.8 | Confident | 94.2 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | trans | -93.1 | 101.4 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | M96 L308 N314 L315 M394 F395 | M96-V312 HydrophobicContact CE-CG1 4.04Å; M96-V312 HydrophobicContact CE-CG2 4.48Å; M96-V312 HydrophobicContact SD-CG2 4.09Å; L308-V312 HydrophobicContact CB-CB 3.99Å; L308-V312 HydrophobicContact CB-CG1 4.12Å; L308-V312 HydrophobicContact CD1-CG1 4.19Å; V312-N314 WeakPolarHBondContact CG1-O 3.3Å; V312-L315 HydrophobicContact CG1-CD2 4.13Å; V312-M394 HydrophobicContact CG2-CB 4.43Å; V312-M394 HydrophobicContact CG2-CG 4.35Å; V312-F395 HydrophobicContact CG2-CD1 4.43Å; V312-F395 HydrophobicContact CG2-CE1 3.99Å | ||
| 313 | K | 85.3 | Confident | 94.2 | Very high | 123 Ų | 123 | 32.2 Ų | 32.2 | 54% | 0.535 | 17% | 0.168 | S | C | . | . | trans | -85.8 | -31.7 | -178.8 | -66.2 | -178.4 | -177.9 | 173 | 0 | 112.9 | M311 S339 | M311-K313 PolarHBondContact O-N 2.66Å; K313-S339 PolarHBondContact O-N 3.02Å | ||
| 314 | N | 89.5 | Confident | 94.2 | Very high | 94 Ų | 94 | 32.2 Ų | 32.2 | 50% | 0.503 | 17% | 0.168 | S | C | . | . | trans | -147.4 | 174.3 | -176.2 | 64 | 4.8 | 0 | 0 | 0 | 111.2 | V312 Y338 G340 | V312-N314 WeakPolarHBondContact CG1-O 3.3Å; N314-Y338 HydrophobicContact CB-CE2 4.29Å; N314-G340 VanDerWaalsContact CB-CA 3.43Å | ||
| 315 | L | 94.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | trans | -134 | 166.5 | 175.2 | -63.8 | 174.4 | 0 | 0 | 0 | 107.8 | M96 L308 V312 K319 A320 I323 Y338 M394 L416 | M96-L315 HydrophobicContact CE-CD2 3.78Å; L308-L315 HydrophobicContact CD1-CD1 3.92Å; L308-L315 HydrophobicContact CD1-CD2 4Å; L308-L315 HydrophobicContact CD1-CG 4.21Å; V312-L315 HydrophobicContact CG1-CD2 4.13Å; L315-K319 HydrophobicContact CB-CB 4.36Å; L315-A320 HydrophobicContact CB-CB 4.43Å; L315-I323 HydrophobicContact CD1-CD1 3.46Å; L315-I323 VanDerWaalsContact CD1-CD1 3.46Å; L315-Y338 HydrophobicContact CB-CE2 4.36Å; L315-M394 HydrophobicContact CD2-SD 4.48Å; L315-L416 HydrophobicContact CD2-CD1 4.46Å | ||
| 316 | T | 95.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 33.7 Ų | 33.7 | 36% | 0.362 | 18% | 0.178 | S | C | . | . | trans | -56.6 | 148.6 | 169.3 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | Y97 E318 K319 A320 | Y97-T316 HydrophobicContact CE1-CG2 3.82Å; T316-E318 PolarHBondContact O-N 2.89Å; T316-K319 PolarHBondContact O-N 3.19Å; T316-K319 VanDerWaalsContact O-N 3.15Å; T316-K319 VanDerWaalsContact OG1-CG 3.3Å; T316-K319 WeakPolarHBondContact OG1-CG 3.46Å; T316-K319 PolarHBondContact OG1-N 2.85Å; T316-A320 WeakPolarHBondContact O-CB 3.46Å; T316-A320 PolarHBondContact O-N 3.12Å | ||
| 317 | T | 96.3 | Very high | 94.2 | Very high | 68 Ų | 68 | 33.7 Ų | 33.7 | 42% | 0.417 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -53.8 | -40.8 | -179.6 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | A320 N321 | T317-A320 PolarHBondContact O-N 3.39Å; T317-N321 VanDerWaalsContact O-CB 3.29Å; T317-N321 WeakPolarHBondContact O-CB 3.22Å; T317-N321 VanDerWaalsContact O-CG 3.29Å; T317-N321 PolarHBondContact O-N 3.2Å |
| 318 | E | 96.4 | Very high | 94.3 | Very high | 145 Ų | 145 | 35.6 Ų | 35.6 | 68% | 0.678 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -60.4 | -51.8 | 177.5 | -172.6 | -167.3 | 153.5 | 0 | 0 | 112 | T316 A320 N321 M322 | T316-E318 PolarHBondContact O-N 2.89Å; E318-A320 VanDerWaalsContact C-N 3.35Å; E318-A320 PolarHBondContact O-N 3.32Å; E318-N321 PolarHBondContact O-N 3.5Å; E318-M322 WeakPolarHBondContact O-CB 3Å; E318-M322 PolarHBondContact O-N 3.5Å |
| 319 | K | 96.6 | Very high | 94.4 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 10% | 0.1 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 179.8 | -65.2 | -64.3 | -179.2 | -178.4 | 0 | 111.5 | L315 T316 M322 I323 L416 N417 | L315-K319 HydrophobicContact CB-CB 4.36Å; T316-K319 PolarHBondContact O-N 3.19Å; T316-K319 VanDerWaalsContact O-N 3.15Å; T316-K319 VanDerWaalsContact OG1-CG 3.3Å; T316-K319 WeakPolarHBondContact OG1-CG 3.46Å; T316-K319 PolarHBondContact OG1-N 2.85Å; K319-M322 HydrophobicContact CD-CE 3.68Å; K319-M322 PolarHBondContact O-N 2.88Å; K319-I323 WeakPolarHBondContact O-CD1 3.39Å; K319-I323 VanDerWaalsContact O-CG1 3.25Å; K319-I323 WeakPolarHBondContact O-CG1 3.39Å; K319-I323 PolarHBondContact O-N 2.82Å; K319-L416 HydrophobicContact CB-CD1 4.42Å; K319-L416 HydrophobicContact CD-CD1 4.32Å; K319-L416 WeakPolarHBondContact CD-O 3.42Å; K319-L416 VanDerWaalsContact CE-O 3.28Å; K319-L416 WeakPolarHBondContact CE-O 3.28Å; K319-L416 HydrophobicContact CG-CD1 4.35Å; K319-L416 PolarHBondContact NZ-O 3.4Å; K319-N417 PolarHBondContact NZ-O 3.24Å |
| 320 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L315 T316 T317 E318 A324 Y338 P343 | L315-A320 HydrophobicContact CB-CB 4.43Å; T316-A320 WeakPolarHBondContact O-CB 3.46Å; T316-A320 PolarHBondContact O-N 3.12Å; T317-A320 PolarHBondContact O-N 3.39Å; E318-A320 VanDerWaalsContact C-N 3.35Å; E318-A320 PolarHBondContact O-N 3.32Å; A320-A324 VanDerWaalsContact O-CB 3.24Å; A320-A324 WeakPolarHBondContact O-CB 3.35Å; A320-A324 PolarHBondContact O-N 3.36Å; A320-Y338 HydrophobicContact CB-CE2 4.28Å; A320-Y338 WeakPolarHBondContact CB-OH 3.25Å; A320-P343 HydrophobicContact CB-CG 4.08Å |
| 321 | N | 98.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 174.8 | -77.6 | -16.3 | 0 | 0 | 0 | 111.9 | T317 E318 I323 A324 S325 P343 D344 T345 | T317-N321 VanDerWaalsContact O-CB 3.29Å; T317-N321 WeakPolarHBondContact O-CB 3.22Å; T317-N321 VanDerWaalsContact O-CG 3.29Å; T317-N321 PolarHBondContact O-N 3.2Å; E318-N321 PolarHBondContact O-N 3.5Å; N321-I323 PolarHBondContact O-N 3.49Å; N321-A324 PolarHBondContact O-N 3.03Å; N321-S325 WeakPolarHBondContact O-CB 3.36Å; N321-S325 PolarHBondContact O-N 3.35Å; N321-S325 PolarHBondContact O-OG 3.01Å; N321-P343 WeakPolarHBondContact OD1-CA 3.41Å; N321-P343 VanDerWaalsContact OD1-CB 3.32Å; N321-P343 WeakPolarHBondContact OD1-CB 3.49Å; N321-D344 PolarHBondContact ND2-OD2 2.7Å; N321-D344 VanDerWaalsContact ND2-OD2 3.12Å; N321-D344 PolarHBondContact OD1-N 2.87Å; N321-T345 WeakPolarHBondContact CA-OG1 3.34Å; N321-T345 PolarHBondContact O-OG1 3.44Å |
| 322 | M | 98.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.7 | 173 | -96.5 | -71.6 | 0 | 0 | 111.7 | E318 K319 S325 A326 M419 | E318-M322 WeakPolarHBondContact O-CB 3Å; E318-M322 PolarHBondContact O-N 3.5Å; K319-M322 HydrophobicContact CD-CE 3.68Å; K319-M322 PolarHBondContact O-N 2.88Å; M322-S325 PolarHBondContact O-N 3.35Å; M322-A326 PolarHBondContact O-N 3.14Å; M322-A326 VanDerWaalsContact O-N 3.15Å; M322-M419 HydrophobicContact CE-CE 3.6Å; M322-M419 HydrophobicContact CE-CG 3.67Å; M322-M419 WeakPolarHBondContact CE-O 3.29Å; M322-M419 HydrophobicContact CE-SD 4.5Å; M322-M419 HydrophobicContact SD-CE 3.99Å; M322-M419 HydrophobicContact SD-CG 4.09Å |
| 323 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 177 | -65.3 | 162.6 | 0 | 0 | 0 | 111 | F306 L315 K319 N321 S325 A326 L327 W336 M419 L424 | F306-I323 HydrophobicContact CD1-CG2 4.38Å; F306-I323 HydrophobicContact CE1-CG2 3.44Å; F306-I323 VanDerWaalsContact CE1-CG2 3.44Å; F306-I323 HydrophobicContact CZ-CD1 4.38Å; F306-I323 HydrophobicContact CZ-CG2 4.04Å; L315-I323 HydrophobicContact CD1-CD1 3.46Å; L315-I323 VanDerWaalsContact CD1-CD1 3.46Å; K319-I323 WeakPolarHBondContact O-CD1 3.39Å; K319-I323 VanDerWaalsContact O-CG1 3.25Å; K319-I323 WeakPolarHBondContact O-CG1 3.39Å; K319-I323 PolarHBondContact O-N 2.82Å; N321-I323 PolarHBondContact O-N 3.49Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.2Å; I323-A326 WeakPolarHBondContact O-CB 3.29Å; I323-A326 PolarHBondContact O-N 3.32Å; I323-A326 VanDerWaalsContact O-N 3.08Å; I323-L327 HydrophobicContact CG2-CD1 3.85Å; I323-L327 HydrophobicContact CG2-CG 4.2Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.44Å; I323-L327 PolarHBondContact O-N 3.19Å; I323-W336 HydrophobicContact CB-CH2 4.21Å; I323-W336 HydrophobicContact CG2-CH2 4.01Å; I323-W336 HydrophobicContact CG2-CZ2 4.29Å; I323-W336 HydrophobicContact CG2-CZ3 4.38Å; I323-M419 HydrophobicContact CD1-CE 3.68Å; I323-M419 HydrophobicContact CG1-CE 3.57Å; I323-L424 HydrophobicContact CB-CD2 4.21Å; I323-L424 HydrophobicContact CG1-CD2 3.97Å; I323-L424 HydrophobicContact CG2-CD2 3.88Å |
| 324 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A320 N321 A326 L327 A328 W336 P343 L346 | A320-A324 VanDerWaalsContact O-CB 3.24Å; A320-A324 WeakPolarHBondContact O-CB 3.35Å; A320-A324 PolarHBondContact O-N 3.36Å; N321-A324 PolarHBondContact O-N 3.03Å; A324-A326 VanDerWaalsContact C-N 3.32Å; A324-A326 PolarHBondContact O-N 3.13Å; A324-L327 PolarHBondContact O-N 3.11Å; A324-A328 WeakPolarHBondContact O-CB 3.29Å; A324-A328 PolarHBondContact O-N 3.34Å; A324-W336 HydrophobicContact CB-CZ3 4.16Å; A324-P343 HydrophobicContact CB-CB 3.51Å; A324-P343 HydrophobicContact CB-CG 4Å; A324-L346 HydrophobicContact CB-CD1 4.49Å |
| 325 | S | 98.7 | Very high | 97.8 | Very high | 31 Ų | 31 | 33 Ų | 33 | 22% | 0.217 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 174.8 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | N321 M322 I323 Q329 T345 | N321-S325 WeakPolarHBondContact O-CB 3.36Å; N321-S325 PolarHBondContact O-N 3.35Å; N321-S325 PolarHBondContact O-OG 3.01Å; M322-S325 PolarHBondContact O-N 3.35Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.2Å; S325-Q329 WeakPolarHBondContact O-CG 3.28Å; S325-Q329 PolarHBondContact O-NE2 2.95Å; S325-T345 WeakPolarHBondContact OG-CB 3.43Å; S325-T345 WeakPolarHBondContact OG-CG2 3.38Å; S325-T345 PolarHBondContact OG-OG1 3.37Å |
| 326 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -45.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M322 I323 A324 A328 Q329 T421 L424 R425 | M322-A326 PolarHBondContact O-N 3.14Å; M322-A326 VanDerWaalsContact O-N 3.15Å; I323-A326 WeakPolarHBondContact O-CB 3.29Å; I323-A326 PolarHBondContact O-N 3.32Å; I323-A326 VanDerWaalsContact O-N 3.08Å; A324-A326 VanDerWaalsContact C-N 3.32Å; A324-A326 PolarHBondContact O-N 3.13Å; A326-A328 VanDerWaalsContact C-N 3.32Å; A326-A328 PolarHBondContact O-N 2.93Å; A326-Q329 PolarHBondContact O-N 3.39Å; A326-T421 HydrophobicContact CB-CG2 3.95Å; A326-T421 VanDerWaalsContact CB-O 3.26Å; A326-T421 WeakPolarHBondContact CB-O 3.29Å; A326-L424 HydrophobicContact CB-CB 4.14Å; A326-L424 HydrophobicContact CB-CD2 4.03Å; A326-L424 HydrophobicContact CB-CG 4.16Å; A326-R425 HydrophobicContact CB-CB 4.43Å |
| 327 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 179 | -63.9 | 174.1 | 0 | 0 | 0 | 111.9 | F306 I323 A324 Q329 L330 V334 W336 N349 T350 I371 I428 | F306-L327 HydrophobicContact CD1-CD1 3.97Å; F306-L327 HydrophobicContact CE1-CD1 4.29Å; I323-L327 HydrophobicContact CG2-CD1 3.85Å; I323-L327 HydrophobicContact CG2-CG 4.2Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.44Å; I323-L327 PolarHBondContact O-N 3.19Å; A324-L327 PolarHBondContact O-N 3.11Å; L327-Q329 PolarHBondContact O-N 3.44Å; L327-L330 HydrophobicContact CD2-CD1 4.32Å; L327-L330 WeakPolarHBondContact O-CB 3.45Å; L327-L330 PolarHBondContact O-N 2.82Å; L327-L330 VanDerWaalsContact O-N 3.15Å; L327-V334 HydrophobicContact CB-CG2 4.34Å; L327-V334 HydrophobicContact CD1-CG1 4.08Å; L327-V334 HydrophobicContact CD2-CG1 4.15Å; L327-V334 HydrophobicContact CD2-CG2 4.13Å; L327-W336 HydrophobicContact CD1-CD2 4.46Å; L327-W336 HydrophobicContact CD1-CE3 3.89Å; L327-W336 HydrophobicContact CD1-CZ3 4.18Å; L327-N349 PolarHBondContact O-ND2 2.95Å; L327-T350 HydrophobicContact CD1-CG2 4.43Å; L327-I371 HydrophobicContact CD2-CD1 3.72Å; L327-I428 HydrophobicContact CD2-CD1 4.04Å |
| 328 | A | 98.6 | Very high | 98.2 | Very high | 44 Ų | 44 | 28.3 Ų | 28.3 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.6 | -22.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A324 A326 L330 | A324-A328 WeakPolarHBondContact O-CB 3.29Å; A324-A328 PolarHBondContact O-N 3.34Å; A326-A328 VanDerWaalsContact C-N 3.32Å; A326-A328 PolarHBondContact O-N 2.93Å; A328-L330 VanDerWaalsContact C-N 3.3Å |
| 329 | Q | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 23.9 Ų | 23.9 | 41% | 0.407 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.1 | 179.1 | -65.6 | 175 | 44.2 | 0 | 0 | 113.6 | S325 A326 L327 T421 R425 | S325-Q329 WeakPolarHBondContact O-CG 3.28Å; S325-Q329 PolarHBondContact O-NE2 2.95Å; A326-Q329 PolarHBondContact O-N 3.39Å; L327-Q329 PolarHBondContact O-N 3.44Å; Q329-T421 VanDerWaalsContact NE2-CG2 3.34Å; Q329-R425 HydrophobicContact CB-CG 4.43Å |
| 330 | L | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -100.7 | 142.7 | -176.6 | -62.1 | 173.2 | 0 | 0 | 0 | 111.5 | I304 L327 A328 Q332 N349 R425 I428 K429 | I304-L330 HydrophobicContact CD1-CD1 3.7Å; L327-L330 HydrophobicContact CD2-CD1 4.32Å; L327-L330 WeakPolarHBondContact O-CB 3.45Å; L327-L330 PolarHBondContact O-N 2.82Å; L327-L330 VanDerWaalsContact O-N 3.15Å; A328-L330 VanDerWaalsContact C-N 3.3Å; L330-Q332 PolarHBondContact O-N 3.24Å; L330-N349 PolarHBondContact O-ND2 3.37Å; L330-R425 HydrophobicContact CD2-CG 4.02Å; L330-I428 HydrophobicContact CD1-CB 4.18Å; L330-I428 HydrophobicContact CD1-CD1 3.77Å; L330-I428 HydrophobicContact CD1-CG2 3.64Å; L330-I428 HydrophobicContact CD2-CG2 4.35Å; L330-K429 HydrophobicContact CD2-CG 4.06Å |
| 331 | P | 97.9 | Very high | 97.8 | Very high | 93 Ų | 93 | 29.5 Ų | 29.5 | 60% | 0.604 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -72.1 | -17.5 | 175.6 | 29.6 | -35 | 0 | 0 | 0 | 113.2 | A301 | A301-P331 HydrophobicContact CB-CB 4.1Å; A301-P331 HydrophobicContact CB-CG 4.5Å |
| 332 | Q | 98.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -68.4 | 152 | 178.8 | -71.9 | 72.7 | 26.9 | 0 | 0 | 112.3 | A301 G302 I304 L330 N349 I432 | A301-Q332 WeakPolarHBondContact O-CG 3.38Å; A301-Q332 PolarHBondContact O-NE2 3.07Å; G302-Q332 WeakPolarHBondContact O-CA 3.41Å; G302-Q332 WeakPolarHBondContact O-CB 3.26Å; I304-Q332 HydrophobicContact CD1-CB 3.66Å; I304-Q332 HydrophobicContact CD1-CG 3.94Å; I304-Q332 HydrophobicContact CG1-CB 3.87Å; I304-Q332 HydrophobicContact CG1-CG 3.99Å; L330-Q332 PolarHBondContact O-N 3.24Å; Q332-N349 PolarHBondContact O-ND2 3.13Å; Q332-I432 HydrophobicContact CG-CD1 4.2Å |
| 333 | K | 98.8 | Very high | 97.7 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 137.3 | 161.7 | -63.8 | -60.3 | -173.9 | -172.4 | 0 | 109.9 | F294 G302 I303 I304 N349 | F294-K333 HydrophobicContact CE1-CB 3.89Å; F294-K333 HydrophobicContact CE2-CB 4.46Å; F294-K333 HydrophobicContact CE2-CD 3.88Å; F294-K333 HydrophobicContact CE2-CG 4.35Å; F294-K333 HydrophobicContact CZ-CB 3.87Å; F294-K333 HydrophobicContact CZ-CD 3.94Å; F294-K333 HydrophobicContact CZ-CG 4.24Å; G302-K333 PolarHBondContact O-N 3.02Å; G302-K333 VanDerWaalsContact O-N 3.13Å; I303-K333 CarbonylContact C-O 3.5Å; I303-K333 WeakPolarHBondContact CA-O 3.46Å; I303-K333 WeakPolarHBondContact CB-O 3.39Å; I303-K333 HydrophobicContact CG2-CB 4.23Å; I304-K333 PolarHBondContact N-O 3.09Å; K333-N349 CarbonylContact C-O 3.59Å; K333-N349 VanDerWaalsContact CA-O 3.29Å; K333-N349 WeakPolarHBondContact CA-O 3.46Å; K333-N349 HydrophobicContact CD-CB 4.15Å |
| 334 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.8 | -176.8 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | I304 F306 L327 W336 N349 T350 K351 | I304-V334 HydrophobicContact CB-CG1 4.45Å; I304-V334 HydrophobicContact CB-CG2 4.26Å; I304-V334 HydrophobicContact CD1-CG2 4.32Å; I304-V334 HydrophobicContact CG2-CG1 4.48Å; I304-V334 WeakPolarHBondContact O-CA 3.39Å; F306-V334 HydrophobicContact CB-CG1 4.32Å; L327-V334 HydrophobicContact CB-CG2 4.34Å; L327-V334 HydrophobicContact CD1-CG1 4.08Å; L327-V334 HydrophobicContact CD2-CG1 4.15Å; L327-V334 HydrophobicContact CD2-CG2 4.13Å; V334-W336 HydrophobicContact CG1-CB 4.42Å; V334-N349 PolarHBondContact N-O 3.4Å; V334-T350 HydrophobicContact CB-CG2 3.96Å; V334-T350 HydrophobicContact CG1-CG2 4.15Å; V334-T350 CarbonylContact O-C 3.1Å; V334-T350 WeakPolarHBondContact O-CA 3.41Å; V334-K351 PolarHBondContact O-N 2.72Å |
| 335 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 108.5 | 168.5 | -64.3 | 91.5 | 0 | 0 | 0 | 107.6 | I291 F294 V295 I303 I304 F306 Y353 M356 L361 | I291-L335 HydrophobicContact CG2-CD2 3.69Å; F294-L335 HydrophobicContact CD1-CD1 4.15Å; F294-L335 HydrophobicContact CD1-CD2 4.4Å; F294-L335 HydrophobicContact CD1-CG 4.03Å; F294-L335 HydrophobicContact CE1-CD1 4.13Å; F294-L335 HydrophobicContact CE1-CG 4.02Å; V295-L335 HydrophobicContact CG2-CD1 4.18Å; V295-L335 HydrophobicContact CG2-CD2 4.4Å; I303-L335 HydrophobicContact CB-CD1 4.13Å; I303-L335 HydrophobicContact CD1-CD1 3.95Å; I303-L335 HydrophobicContact CG2-CD1 4.37Å; I304-L335 PolarHBondContact O-N 3.13Å; F306-L335 PolarHBondContact N-O 3.01Å; L335-Y353 HydrophobicContact CB-CD2 4.43Å; L335-Y353 HydrophobicContact CB-CE2 4.15Å; L335-Y353 HydrophobicContact CD2-CE2 3.83Å; L335-Y353 HydrophobicContact CG-CE2 4.08Å; L335-M356 HydrophobicContact CB-SD 4.27Å; L335-L361 HydrophobicContact CD1-CD2 4.45Å; L335-L361 HydrophobicContact CD2-CD1 3.97Å; L335-L361 HydrophobicContact CD2-CD2 3.7Å |
| 336 | W | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118 | -174.6 | -179.4 | 11.3 | 0 | 0 | 0 | 109.9 | F306 I323 A324 L327 V334 Y338 P343 T350 K351 L352 Y353 | F306-W336 HydrophobicContact CB-CB 4.24Å; F306-W336 HydrophobicContact CB-CG 4.29Å; F306-W336 HydrophobicContact CD1-CB 4.06Å; F306-W336 AromaticContact CD1-CD1 3.23Å; F306-W336 AromaticContact CD1-CD2 3.58Å; F306-W336 HydrophobicContact CD1-CD2 3.58Å; F306-W336 AromaticContact CD1-CE2 3.62Å; F306-W336 HydrophobicContact CD1-CE3 4.36Å; F306-W336 AromaticContact CD1-CG 3.38Å; F306-W336 HydrophobicContact CD1-CG 3.38Å; F306-W336 HydrophobicContact CD1-CZ2 4.43Å; F306-W336 AromaticContact CD1-NE1 3.4Å; F306-W336 AromaticContact CE1-CD1 3.55Å; F306-W336 AromaticContact CE1-CD2 3.62Å; F306-W336 HydrophobicContact CE1-CD2 3.62Å; F306-W336 AromaticContact CE1-CE2 3.19Å; F306-W336 HydrophobicContact CE1-CE3 4.34Å; F306-W336 AromaticContact CE1-CG 3.87Å; F306-W336 HydrophobicContact CE1-CG 3.87Å; F306-W336 HydrophobicContact CE1-CH2 4.33Å; F306-W336 AromaticContact CE1-CZ2 3.61Å; F306-W336 HydrophobicContact CE1-CZ2 3.61Å; F306-W336 AromaticContact CE1-NE1 3.15Å; F306-W336 AromaticContact CG-CD1 3.6Å; F306-W336 HydrophobicContact CG-CG 4.03Å; F306-W336 AromaticContact CZ-CE2 3.94Å; F306-W336 HydrophobicContact CZ-CZ2 4.21Å; F306-W336 AromaticContact CZ-NE1 3.6Å; F306-W336 CarbonylContact O-C 3.57Å; F306-W336 WeakPolarHBondContact O-CA 3.15Å; I323-W336 HydrophobicContact CB-CH2 4.21Å; I323-W336 HydrophobicContact CG2-CH2 4.01Å; I323-W336 HydrophobicContact CG2-CZ2 4.29Å; I323-W336 HydrophobicContact CG2-CZ3 4.38Å; A324-W336 HydrophobicContact CB-CZ3 4.16Å; L327-W336 HydrophobicContact CD1-CD2 4.46Å; L327-W336 HydrophobicContact CD1-CE3 3.89Å; L327-W336 HydrophobicContact CD1-CZ3 4.18Å; V334-W336 HydrophobicContact CG1-CB 4.42Å; W336-Y338 AromaticContact CE2-CD2 3.91Å; W336-Y338 HydrophobicContact CH2-CD2 4.5Å; W336-Y338 AromaticContact CZ2-CD2 3.7Å; W336-Y338 HydrophobicContact CZ2-CD2 3.7Å; W336-Y338 HydrophobicContact CZ2-CE2 4.16Å; W336-Y338 HydrophobicContact CZ2-CG 4.11Å; W336-Y338 PolarHBondContact O-N 2.94Å; W336-P343 HydrophobicContact CH2-CG 4.09Å; W336-P343 HydrophobicContact CZ3-CG 3.97Å; W336-T350 HydrophobicContact CB-CG2 4.16Å; W336-T350 HydrophobicContact CE3-CG2 4.16Å; W336-K351 PolarHBondContact N-O 3.28Å; W336-L352 HydrophobicContact CB-CD2 3.99Å; W336-L352 HydrophobicContact CD2-CD2 3.84Å; W336-L352 HydrophobicContact CE3-CD2 3.52Å; W336-L352 HydrophobicContact CG-CD2 4.08Å; W336-L352 HydrophobicContact CZ3-CD2 4.3Å; W336-L352 CarbonylContact O-C 3.6Å; W336-L352 VanDerWaalsContact O-CA 3.28Å; W336-L352 WeakPolarHBondContact O-CA 3.36Å; W336-Y353 PolarHBondContact O-N 3.18Å |
| 337 | R | 97.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 113.4 | 168.4 | -175.2 | -171.6 | 168.5 | -135.9 | -14 | 110.1 | F306 G309 S310 Y353 D354 M356 | F306-R337 PolarHBondContact O-N 3.32Å; G309-R337 PolarHBondContact O-NH1 3.41Å; S310-R337 PolarHBondContact O-NH2 2.81Å; R337-Y353 CarbonylContact C-O 3.45Å; R337-Y353 WeakPolarHBondContact CA-O 3.15Å; R337-Y353 WeakPolarHBondContact CG-O 3.24Å; R337-D354 WeakPolarHBondContact CG-O 3.49Å; R337-D354 PolarHBondContact NE-O 3.11Å; R337-M356 HydrophobicContact CB-CE 3.7Å; R337-M356 HydrophobicContact CB-CG 4.28Å; R337-M356 HydrophobicContact CB-SD 4.21Å |
| 338 | Y | 96.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | trans | -162.1 | 129.7 | -176.2 | -175.9 | -97.5 | 0 | 0 | 0 | 110.3 | N314 L315 A320 W336 G340 K341 L352 Y353 | N314-Y338 HydrophobicContact CB-CE2 4.29Å; L315-Y338 HydrophobicContact CB-CE2 4.36Å; A320-Y338 HydrophobicContact CB-CE2 4.28Å; A320-Y338 WeakPolarHBondContact CB-OH 3.25Å; W336-Y338 AromaticContact CE2-CD2 3.91Å; W336-Y338 HydrophobicContact CH2-CD2 4.5Å; W336-Y338 AromaticContact CZ2-CD2 3.7Å; W336-Y338 HydrophobicContact CZ2-CD2 3.7Å; W336-Y338 HydrophobicContact CZ2-CE2 4.16Å; W336-Y338 HydrophobicContact CZ2-CG 4.11Å; W336-Y338 PolarHBondContact O-N 2.94Å; Y338-G340 VanDerWaalsContact CE1-N 3.35Å; Y338-G340 WeakPolarHBondContact CE1-O 3.5Å; Y338-K341 VanDerWaalsContact CE1-O 3.25Å; Y338-K341 WeakPolarHBondContact CE1-O 3.44Å; Y338-K341 PolarHBondContact OH-O 2.83Å; Y338-L352 HydrophobicContact CD1-CD1 4.16Å; Y338-Y353 PolarHBondContact N-O 2.96Å | ||
| 339 | S | 93.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | trans | -120.1 | 13.5 | -177.8 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | K313 D354 | K313-S339 PolarHBondContact O-N 3.02Å; S339-D354 WeakPolarHBondContact CB-OD1 3.48Å; S339-D354 WeakPolarHBondContact OG-CA 3.38Å; S339-D354 PolarHBondContact OG-OD1 3.45Å | ||
| 340 | G | 93.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -84.4 | -170.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N314 Y338 I342 | N314-G340 VanDerWaalsContact CB-CA 3.43Å; Y338-G340 VanDerWaalsContact CE1-N 3.35Å; Y338-G340 WeakPolarHBondContact CE1-O 3.5Å; G340-I342 PolarHBondContact O-N 2.87Å |
| 341 | K | 95.9 | Very high | 97.4 | Very high | 123 Ų | 123 | 46.1 Ų | 46.1 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -59.4 | 126.8 | 171.2 | -177.1 | -168.1 | 170.6 | -158.3 | 0 | 109.5 | Y338 D344 | Y338-K341 VanDerWaalsContact CE1-O 3.25Å; Y338-K341 WeakPolarHBondContact CE1-O 3.44Å; Y338-K341 PolarHBondContact OH-O 2.83Å; K341-D344 IonicContact NZ-OD1 2.89Å; K341-D344 PolarHBondContact NZ-OD1 3.48Å; K341-D344 IonicContact NZ-OD2 3.69Å |
| 342 | I | 97.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 43.9 Ų | 43.9 | 59% | 0.585 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -51 | 125.4 | 176.5 | -61.1 | 174.7 | 0 | 0 | 0 | 109.4 | G340 L346 L352 | G340-I342 PolarHBondContact O-N 2.87Å; I342-L346 HydrophobicContact CG2-CD2 4Å; I342-L352 HydrophobicContact CB-CD1 4.45Å; I342-L352 HydrophobicContact CG1-CD1 4.14Å; I342-L352 HydrophobicContact CG2-CD1 4.22Å |
| 343 | P | 97.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 137 | 178.3 | -23.9 | 34.4 | 0 | 0 | 0 | 111.7 | A320 N321 A324 W336 T345 L346 | A320-P343 HydrophobicContact CB-CG 4.08Å; N321-P343 WeakPolarHBondContact OD1-CA 3.41Å; N321-P343 VanDerWaalsContact OD1-CB 3.32Å; N321-P343 WeakPolarHBondContact OD1-CB 3.49Å; A324-P343 HydrophobicContact CB-CB 3.51Å; A324-P343 HydrophobicContact CB-CG 4Å; W336-P343 HydrophobicContact CH2-CG 4.09Å; W336-P343 HydrophobicContact CZ3-CG 3.97Å; P343-T345 PolarHBondContact O-N 2.99Å; P343-L346 HydrophobicContact CB-CB 4.42Å; P343-L346 VanDerWaalsContact O-CB 3.32Å; P343-L346 WeakPolarHBondContact O-CB 3.35Å; P343-L346 PolarHBondContact O-N 3.48Å |
| 344 | D | 97.9 | Very high | 97 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 59% | 0.594 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -23.5 | 179.8 | -51.9 | -54.1 | 0 | 0 | 0 | 111.4 | N321 K341 | N321-D344 PolarHBondContact ND2-OD2 2.7Å; N321-D344 VanDerWaalsContact ND2-OD2 3.12Å; N321-D344 PolarHBondContact OD1-N 2.87Å; K341-D344 IonicContact NZ-OD1 2.89Å; K341-D344 PolarHBondContact NZ-OD1 3.48Å; K341-D344 IonicContact NZ-OD2 3.69Å |
| 345 | T | 98.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 18.5 | 179.1 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | N321 S325 P343 G347 | N321-T345 WeakPolarHBondContact CA-OG1 3.34Å; N321-T345 PolarHBondContact O-OG1 3.44Å; S325-T345 WeakPolarHBondContact OG-CB 3.43Å; S325-T345 WeakPolarHBondContact OG-CG2 3.38Å; S325-T345 PolarHBondContact OG-OG1 3.37Å; P343-T345 PolarHBondContact O-N 2.99Å; T345-G347 PolarHBondContact O-N 2.98Å; T345-G347 VanDerWaalsContact O-N 3.14Å |
| 346 | L | 98.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | trans | -64.3 | 113.8 | -179 | -170.9 | 72.6 | 0 | 0 | 0 | 112 | A324 I342 P343 T350 L352 | A324-L346 HydrophobicContact CB-CD1 4.49Å; I342-L346 HydrophobicContact CG2-CD2 4Å; P343-L346 HydrophobicContact CB-CB 4.42Å; P343-L346 VanDerWaalsContact O-CB 3.32Å; P343-L346 WeakPolarHBondContact O-CB 3.35Å; P343-L346 PolarHBondContact O-N 3.48Å; L346-T350 HydrophobicContact CD1-CG2 3.68Å; L346-L352 HydrophobicContact CD1-CD2 4Å; L346-L352 HydrophobicContact CD1-CG 4.36Å; L346-L352 HydrophobicContact CD2-CD1 4.03Å; L346-L352 HydrophobicContact CD2-CG 4.05Å | ||
| 347 | G | 97.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | trans | -71.1 | 152.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T345 N349 T350 | T345-G347 PolarHBondContact O-N 2.98Å; T345-G347 VanDerWaalsContact O-N 3.14Å; G347-N349 PolarHBondContact O-N 3.38Å; G347-N349 VanDerWaalsContact O-N 3.09Å; G347-T350 PolarHBondContact O-N 2.9Å | ||
| 348 | S | 96.9 | Very high | 96.3 | Very high | 119 Ų | 119 | 58.2 Ų | 58.2 | 83% | 0.832 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.8 | 178.3 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | T350 | S348-T350 VanDerWaalsContact C-N 3.35Š|
| 349 | N | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 58 Ų | 58 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.5 | 172.9 | 71.3 | -41.1 | 0 | 0 | 0 | 113.3 | F294 L327 L330 Q332 K333 V334 G347 | F294-N349 WeakPolarHBondContact CZ-O 3.43Å; L327-N349 PolarHBondContact O-ND2 2.95Å; L330-N349 PolarHBondContact O-ND2 3.37Å; Q332-N349 PolarHBondContact O-ND2 3.13Å; K333-N349 CarbonylContact C-O 3.59Å; K333-N349 VanDerWaalsContact CA-O 3.29Å; K333-N349 WeakPolarHBondContact CA-O 3.46Å; K333-N349 HydrophobicContact CD-CB 4.15Å; V334-N349 PolarHBondContact N-O 3.4Å; G347-N349 PolarHBondContact O-N 3.38Å; G347-N349 VanDerWaalsContact O-N 3.09Å |
| 350 | T | 98.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.4 | -175.8 | -57 | 0 | 0 | 0 | 0 | 111.4 | L327 V334 W336 L346 G347 S348 L352 | L327-T350 HydrophobicContact CD1-CG2 4.43Å; V334-T350 HydrophobicContact CB-CG2 3.96Å; V334-T350 HydrophobicContact CG1-CG2 4.15Å; V334-T350 CarbonylContact O-C 3.1Å; V334-T350 WeakPolarHBondContact O-CA 3.41Å; W336-T350 HydrophobicContact CB-CG2 4.16Å; W336-T350 HydrophobicContact CE3-CG2 4.16Å; L346-T350 HydrophobicContact CD1-CG2 3.68Å; G347-T350 PolarHBondContact O-N 2.9Å; S348-T350 VanDerWaalsContact C-N 3.35Å; T350-L352 HydrophobicContact CG2-CD2 4.39Å |
| 351 | K | 98.1 | Very high | 96.8 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.3 | 170.5 | -80.1 | -172.5 | -178.9 | 175.6 | 0 | 111.1 | F294 V334 W336 Y353 | F294-K351 HydrophobicContact CB-CD 4.27Å; F294-K351 HydrophobicContact CD1-CB 4.44Å; F294-K351 HydrophobicContact CD1-CD 3.86Å; F294-K351 HydrophobicContact CD1-CG 4.35Å; F294-K351 HydrophobicContact CD2-CD 3.5Å; F294-K351 VanDerWaalsContact CD2-CD 3.5Å; F294-K351 HydrophobicContact CD2-CG 4.11Å; F294-K351 VanDerWaalsContact CD2-NZ 3.33Å; F294-K351 HydrophobicContact CE1-CB 3.9Å; F294-K351 HydrophobicContact CE1-CD 3.96Å; F294-K351 HydrophobicContact CE1-CG 3.93Å; F294-K351 HydrophobicContact CE2-CB 4.49Å; F294-K351 HydrophobicContact CE2-CD 3.59Å; F294-K351 VanDerWaalsContact CE2-CE 3.47Å; F294-K351 HydrophobicContact CE2-CG 3.65Å; F294-K351 HydrophobicContact CG-CD 3.6Å; F294-K351 HydrophobicContact CG-CG 4.41Å; F294-K351 HydrophobicContact CZ-CB 3.91Å; F294-K351 HydrophobicContact CZ-CD 3.81Å; F294-K351 HydrophobicContact CZ-CG 3.54Å; V334-K351 PolarHBondContact O-N 2.72Å; W336-K351 PolarHBondContact N-O 3.28Å; K351-Y353 HydrophobicContact CB-CD2 4.49Å; K351-Y353 HydrophobicContact CB-CE2 3.71Å |
| 352 | L | 97.9 | Very high | 96.9 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 143.6 | 177.1 | -52.7 | -177.9 | 0 | 0 | 0 | 111 | W336 Y338 I342 L346 T350 | W336-L352 HydrophobicContact CB-CD2 3.99Å; W336-L352 HydrophobicContact CD2-CD2 3.84Å; W336-L352 HydrophobicContact CE3-CD2 3.52Å; W336-L352 HydrophobicContact CG-CD2 4.08Å; W336-L352 HydrophobicContact CZ3-CD2 4.3Å; W336-L352 CarbonylContact O-C 3.6Å; W336-L352 VanDerWaalsContact O-CA 3.28Å; W336-L352 WeakPolarHBondContact O-CA 3.36Å; Y338-L352 HydrophobicContact CD1-CD1 4.16Å; I342-L352 HydrophobicContact CB-CD1 4.45Å; I342-L352 HydrophobicContact CG1-CD1 4.14Å; I342-L352 HydrophobicContact CG2-CD1 4.22Å; L346-L352 HydrophobicContact CD1-CD2 4Å; L346-L352 HydrophobicContact CD1-CG 4.36Å; L346-L352 HydrophobicContact CD2-CD1 4.03Å; L346-L352 HydrophobicContact CD2-CG 4.05Å; T350-L352 HydrophobicContact CG2-CD2 4.39Å |
| 353 | Y | 95.9 | Very high | 97 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.2 | 176.6 | -66.2 | -92.5 | 0 | 0 | 0 | 110.3 | I291 L335 W336 R337 Y338 K351 M356 | I291-Y353 HydrophobicContact CD1-CE1 4.16Å; I291-Y353 HydrophobicContact CG1-CE1 4.02Å; L335-Y353 HydrophobicContact CB-CD2 4.43Å; L335-Y353 HydrophobicContact CB-CE2 4.15Å; L335-Y353 HydrophobicContact CD2-CE2 3.83Å; L335-Y353 HydrophobicContact CG-CE2 4.08Å; W336-Y353 PolarHBondContact O-N 3.18Å; R337-Y353 CarbonylContact C-O 3.45Å; R337-Y353 WeakPolarHBondContact CA-O 3.15Å; R337-Y353 WeakPolarHBondContact CG-O 3.24Å; Y338-Y353 PolarHBondContact N-O 2.96Å; K351-Y353 HydrophobicContact CB-CD2 4.49Å; K351-Y353 HydrophobicContact CB-CE2 3.71Å; Y353-M356 HydrophobicContact CG-CB 4.48Å |
| 354 | D | 92.1 | Very high | 97 | Very high | 114 Ų | 114 | 46.7 Ų | 46.7 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -70.3 | -38.7 | 169.4 | -64.9 | -44 | 0 | 0 | 0 | 111.4 | R337 S339 | R337-D354 WeakPolarHBondContact CG-O 3.49Å; R337-D354 PolarHBondContact NE-O 3.11Å; S339-D354 WeakPolarHBondContact CB-OD1 3.48Å; S339-D354 WeakPolarHBondContact OG-CA 3.38Å; S339-D354 PolarHBondContact OG-OD1 3.45Å |
| 355 | W | 91.9 | Very high | 97 | Very high | 168 Ų | 168 | 47 Ų | 47 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -144.2 | 143.2 | 175.4 | -167.1 | -101.4 | 0 | 0 | 0 | 110.5 | ||
| 356 | M | 94.1 | Very high | 97 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | trans | -138.5 | 149.6 | 179.6 | 60.1 | 179.4 | 178.5 | 0 | 0 | 111 | V305 F306 L335 R337 Y353 Q358 L361 | V305-M356 HydrophobicContact CG1-CE 3.6Å; V305-M356 HydrophobicContact CG1-SD 4.22Å; F306-M356 WeakPolarHBondContact O-CE 3.21Å; L335-M356 HydrophobicContact CB-SD 4.27Å; R337-M356 HydrophobicContact CB-CE 3.7Å; R337-M356 HydrophobicContact CB-CG 4.28Å; R337-M356 HydrophobicContact CB-SD 4.21Å; Y353-M356 HydrophobicContact CG-CB 4.48Å; M356-Q358 PolarHBondContact O-N 3.44Å; M356-L361 HydrophobicContact CB-CD1 3.96Å; M356-L361 HydrophobicContact CG-CD1 4.15Å; M356-L361 HydrophobicContact SD-CD1 3.89Å | ||
| 357 | P | 95.5 | Very high | 97 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | trans | -73.1 | 74.4 | 176.5 | 32.2 | -35.7 | 0 | 0 | 0 | 110.2 | L287 I291 N359 D360 L361 | L287-P357 HydrophobicContact CD2-CG 3.85Å; I291-P357 HydrophobicContact CD1-CG 4.13Å; P357-N359 PolarHBondContact O-N 3.45Å; P357-D360 HydrophobicContact CB-CB 4.16Å; P357-D360 PolarHBondContact O-N 2.96Å; P357-D360 VanDerWaalsContact O-N 3.1Å; P357-L361 HydrophobicContact CG-CD1 4.5Å; P357-L361 HydrophobicContact CG-CG 4.45Å; P357-L361 PolarHBondContact O-N 2.99Å | ||
| 358 | Q | 97.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.9 | -49.7 | -170 | -175.8 | 176.8 | -76.2 | 0 | 0 | 112.5 | V305 S307 M356 D360 L361 L362 F370 E381 | V305-Q358 HydrophobicContact CG1-CG 4.43Å; S307-Q358 PolarHBondContact OG-OE1 3.3Å; M356-Q358 PolarHBondContact O-N 3.44Å; Q358-D360 VanDerWaalsContact C-N 3.28Å; Q358-D360 PolarHBondContact O-N 3.08Å; Q358-L361 PolarHBondContact O-N 3.3Å; Q358-L362 HydrophobicContact CG-CD1 3.94Å; Q358-L362 HydrophobicContact CG-CG 4.32Å; Q358-L362 WeakPolarHBondContact O-CB 3.48Å; Q358-L362 VanDerWaalsContact O-CG 3.29Å; Q358-L362 WeakPolarHBondContact O-CG 3.28Å; Q358-L362 PolarHBondContact O-N 2.86Å; Q358-F370 HydrophobicContact CG-CZ 4.42Å; Q358-E381 PolarHBondContact NE2-OE2 3.43Å |
| 359 | N | 96.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.1 | -45.8 | 176.1 | 176.5 | 83 | 0 | 0 | 0 | 112.5 | K282 P357 L362 G363 H385 | K282-N359 VanDerWaalsContact CG-ND2 3.34Å; K282-N359 WeakPolarHBondContact CG-ND2 3.37Å; K282-N359 PolarHBondContact O-ND2 3.06Å; K282-N359 PolarHBondContact O-OD1 3.4Å; P357-N359 PolarHBondContact O-N 3.45Å; N359-L362 PolarHBondContact O-N 2.85Å; N359-G363 PolarHBondContact O-N 3.33Å; N359-H385 PolarHBondContact O-NE2 2.94Å; N359-H385 VanDerWaalsContact O-NE2 3.17Å; N359-H385 PolarHBondContact OD1-NE2 2.88Å |
| 360 | D | 98 | Very high | 97.2 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.5 | -35.4 | -175.1 | -54.5 | -37.8 | 0 | 0 | 0 | 111.3 | A284 K285 L287 P357 Q358 G363 H364 | A284-D360 WeakPolarHBondContact CA-OD1 3.45Å; A284-D360 HydrophobicContact CB-CB 4.49Å; K285-D360 PolarHBondContact N-OD1 3.15Å; L287-D360 HydrophobicContact CD2-CB 3.67Å; P357-D360 HydrophobicContact CB-CB 4.16Å; P357-D360 PolarHBondContact O-N 2.96Å; P357-D360 VanDerWaalsContact O-N 3.1Å; Q358-D360 VanDerWaalsContact C-N 3.28Å; Q358-D360 PolarHBondContact O-N 3.08Å; D360-G363 PolarHBondContact O-N 2.95Å; D360-H364 PolarHBondContact O-N 3.2Å |
| 361 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 171.4 | -74.3 | 166.6 | 0 | 0 | 0 | 111.4 | L287 I291 V295 I303 V305 L335 M356 P357 Q358 G363 H364 T367 | L287-L361 HydrophobicContact CD1-CD2 3.7Å; L287-L361 HydrophobicContact CD2-CD2 4.04Å; L287-L361 HydrophobicContact CD2-CG 4.04Å; I291-L361 HydrophobicContact CG2-CD2 3.98Å; V295-L361 HydrophobicContact CG2-CD2 4.06Å; I303-L361 HydrophobicContact CD1-CD2 4.17Å; V305-L361 HydrophobicContact CG2-CB 3.74Å; L335-L361 HydrophobicContact CD1-CD2 4.45Å; L335-L361 HydrophobicContact CD2-CD1 3.97Å; L335-L361 HydrophobicContact CD2-CD2 3.7Å; M356-L361 HydrophobicContact CB-CD1 3.96Å; M356-L361 HydrophobicContact CG-CD1 4.15Å; M356-L361 HydrophobicContact SD-CD1 3.89Å; P357-L361 HydrophobicContact CG-CD1 4.5Å; P357-L361 HydrophobicContact CG-CG 4.45Å; P357-L361 PolarHBondContact O-N 2.99Å; Q358-L361 PolarHBondContact O-N 3.3Å; L361-G363 VanDerWaalsContact C-N 3.31Å; L361-G363 PolarHBondContact O-N 2.6Å; L361-H364 VanDerWaalsContact O-CB 3.29Å; L361-H364 WeakPolarHBondContact O-CB 3.43Å; L361-H364 PolarHBondContact O-N 2.98Å; L361-H364 VanDerWaalsContact O-N 3.11Å; L361-T367 PolarHBondContact O-OG1 3.43Å |
| 362 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 178 | -70.3 | 175.6 | 0 | 0 | 0 | 111.9 | V305 Q358 N359 H364 T367 F370 E381 H385 I387 | V305-L362 HydrophobicContact CB-CD2 4.14Å; V305-L362 HydrophobicContact CG1-CD2 4.43Å; V305-L362 HydrophobicContact CG2-CD2 4.21Å; Q358-L362 HydrophobicContact CG-CD1 3.94Å; Q358-L362 HydrophobicContact CG-CG 4.32Å; Q358-L362 WeakPolarHBondContact O-CB 3.48Å; Q358-L362 VanDerWaalsContact O-CG 3.29Å; Q358-L362 WeakPolarHBondContact O-CG 3.28Å; Q358-L362 PolarHBondContact O-N 2.86Å; N359-L362 PolarHBondContact O-N 2.85Å; L362-H364 VanDerWaalsContact C-N 3.27Å; L362-H364 PolarHBondContact O-N 3.18Å; L362-T367 HydrophobicContact CD2-CG2 4.4Å; L362-F370 HydrophobicContact CD1-CD1 4.31Å; L362-F370 HydrophobicContact CD1-CE1 4.29Å; L362-F370 HydrophobicContact CD2-CB 3.72Å; L362-F370 HydrophobicContact CD2-CD1 4.19Å; L362-F370 HydrophobicContact CD2-CD2 3.97Å; L362-F370 HydrophobicContact CD2-CG 3.72Å; L362-E381 HydrophobicContact CD1-CB 3.65Å; L362-H385 HydrophobicContact CB-CB 4.29Å; L362-H385 WeakPolarHBondContact O-CB 3.29Å; L362-I387 HydrophobicContact CB-CG1 4.45Å; L362-I387 HydrophobicContact CD2-CB 4.39Å; L362-I387 HydrophobicContact CD2-CG1 4.34Å; L362-I387 HydrophobicContact CD2-CG2 4.19Å; L362-I387 WeakPolarHBondContact O-CD1 3.25Å; L362-I387 VanDerWaalsContact O-CG1 3.29Å; L362-I387 WeakPolarHBondContact O-CG1 3.24Å |
| 363 | G | 98.3 | Very high | 97.2 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N359 D360 L361 H385 | N359-G363 PolarHBondContact O-N 3.33Å; D360-G363 PolarHBondContact O-N 2.95Å; L361-G363 VanDerWaalsContact C-N 3.31Å; L361-G363 PolarHBondContact O-N 2.6Å; G363-H385 VanDerWaalsContact CA-CG 3.42Å; G363-H385 WeakPolarHBondContact CA-ND1 3.46Å |
| 364 | H | 98.5 | Very high | 97.3 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -75.8 | 134.9 | 178.4 | -171.2 | -85.9 | 0 | 0 | 0 | 111.3 | E292 V295 D360 L361 L362 K366 T367 | E292-H364 IonicContact OE1-NE2 3.43Å; E292-H364 IonicContact OE2-CD2 2.6Å; E292-H364 IonicContact OE2-NE2 3.25Å; V295-H364 WeakPolarHBondContact CG1-CE1 3.36Å; V295-H364 WeakPolarHBondContact CG1-ND1 3.41Å; D360-H364 PolarHBondContact O-N 3.2Å; L361-H364 VanDerWaalsContact O-CB 3.29Å; L361-H364 WeakPolarHBondContact O-CB 3.43Å; L361-H364 PolarHBondContact O-N 2.98Å; L361-H364 VanDerWaalsContact O-N 3.11Å; L362-H364 VanDerWaalsContact C-N 3.27Å; L362-H364 PolarHBondContact O-N 3.18Å; H364-K366 PolarHBondContact ND1-N 3.02Å; H364-K366 VanDerWaalsContact ND1-N 3.13Å; H364-K366 PolarHBondContact O-N 2.82Å; H364-T367 WeakPolarHBondContact O-CB 3.23Å; H364-T367 PolarHBondContact O-N 2.86Å; H364-T367 PolarHBondContact O-OG1 3.24Å |
| 365 | P | 97.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 29 Ų | 29 | 77% | 0.773 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.1 | -175.4 | -27.1 | 34.7 | 0 | 0 | 0 | 115.9 | T367 | P365-T367 VanDerWaalsContact C-N 3.34Š|
| 366 | K | 98.4 | Very high | 97.7 | Very high | 44 Ų | 44 | 21.7 Ų | 21.7 | 19% | 0.191 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.4 | 177.2 | -69 | -172.5 | 172.9 | -71.1 | 0 | 114 | V295 G299 G302 I303 H364 K368 | V295-K366 HydrophobicContact CG1-CB 4.22Å; V295-K366 HydrophobicContact CG1-CD 4.22Å; G299-K366 PolarHBondContact O-NZ 2.94Å; G302-K366 CarbonylContact C-O 3.58Å; G302-K366 VanDerWaalsContact CA-O 3.28Å; G302-K366 WeakPolarHBondContact CA-O 3.34Å; I303-K366 PolarHBondContact N-O 3.05Å; H364-K366 PolarHBondContact ND1-N 3.02Å; H364-K366 VanDerWaalsContact ND1-N 3.13Å; H364-K366 PolarHBondContact O-N 2.82Å; K366-K368 PolarHBondContact O-N 3.44Å |
| 367 | T | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 124.8 | -177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | I303 V305 L361 L362 H364 P365 I387 | I303-T367 WeakPolarHBondContact CD1-OG1 3.36Å; I303-T367 WeakPolarHBondContact CG1-OG1 3.42Å; V305-T367 HydrophobicContact CG2-CG2 4.09Å; L361-T367 PolarHBondContact O-OG1 3.43Å; L362-T367 HydrophobicContact CD2-CG2 4.4Å; H364-T367 WeakPolarHBondContact O-CB 3.23Å; H364-T367 PolarHBondContact O-N 2.86Å; H364-T367 PolarHBondContact O-OG1 3.24Å; P365-T367 VanDerWaalsContact C-N 3.34Å; T367-I387 HydrophobicContact CG2-CD1 3.94Å; T367-I387 HydrophobicContact CG2-CG1 4.12Å; T367-I387 HydrophobicContact CG2-CG2 3.92Å |
| 368 | K | 98.7 | Very high | 97.8 | Very high | 83 Ų | 83 | 21.6 Ų | 21.6 | 36% | 0.361 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -37.2 | -176.6 | -58.7 | -56.3 | -174.1 | 177.7 | 0 | 112.9 | A301 I303 K366 P388 I432 | A301-K368 WeakPolarHBondContact O-CG 3.26Å; I303-K368 PolarHBondContact O-N 2.73Å; K366-K368 PolarHBondContact O-N 3.44Å; K368-P388 WeakPolarHBondContact O-CD 3.44Å; K368-P388 WeakPolarHBondContact O-CG 3.15Å; K368-I432 HydrophobicContact CB-CD1 4.15Å; K368-I432 HydrophobicContact CB-CG1 4.03Å; K368-I432 HydrophobicContact CB-CG2 4.31Å |
| 369 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V305 P388 V431 I432 | V305-A369 PolarHBondContact N-O 2.88Å; A369-P388 WeakPolarHBondContact CA-O 3.33Å; A369-V431 HydrophobicContact CB-CG2 3.89Å; A369-I432 HydrophobicContact CB-CD1 4.2Å; A369-I432 HydrophobicContact CB-CG1 3.81Å |
| 370 | F | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.4 | 173.1 | -179.7 | -145.8 | 0 | 0 | 0 | 110.4 | V305 Q358 L362 T372 A382 I387 P388 M389 V390 | V305-F370 HydrophobicContact CB-CD2 3.99Å; V305-F370 HydrophobicContact CG1-CD2 3.98Å; V305-F370 HydrophobicContact CG1-CE2 4.05Å; V305-F370 CarbonylContact O-C 3.57Å; V305-F370 WeakPolarHBondContact O-CA 3.45Å; V305-F370 WeakPolarHBondContact O-CD2 3.17Å; Q358-F370 HydrophobicContact CG-CZ 4.42Å; L362-F370 HydrophobicContact CD1-CD1 4.31Å; L362-F370 HydrophobicContact CD1-CE1 4.29Å; L362-F370 HydrophobicContact CD2-CB 3.72Å; L362-F370 HydrophobicContact CD2-CD1 4.19Å; L362-F370 HydrophobicContact CD2-CD2 3.97Å; L362-F370 HydrophobicContact CD2-CG 3.72Å; F370-T372 HydrophobicContact CD1-CG2 4.07Å; F370-T372 VanDerWaalsContact CE1-CB 3.41Å; F370-T372 HydrophobicContact CE1-CG2 4.14Å; F370-T372 WeakPolarHBondContact CE1-OG1 3.19Å; F370-A382 HydrophobicContact CD1-CB 3.92Å; F370-I387 HydrophobicContact CB-CG2 3.87Å; F370-P388 PolarHBondContact N-O 3.33Å; F370-M389 HydrophobicContact CB-CG 4.11Å; F370-M389 HydrophobicContact CD1-CG 4.07Å; F370-M389 HydrophobicContact CD1-SD 4.3Å; F370-M389 CarbonylContact O-C 3.58Å; F370-M389 WeakPolarHBondContact O-CA 3.35Å; F370-V390 PolarHBondContact O-N 3.43Å |
| 371 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.9 | 168.5 | -53.1 | 171.6 | 0 | 0 | 0 | 107.1 | I304 V305 F306 S307 L327 V390 I392 I428 | I304-I371 HydrophobicContact CG2-CD1 3.7Å; I304-I371 HydrophobicContact CG2-CG1 3.77Å; V305-I371 PolarHBondContact O-N 2.64Å; F306-I371 WeakPolarHBondContact CA-O 3.46Å; F306-I371 HydrophobicContact CB-CB 3.99Å; F306-I371 HydrophobicContact CB-CD1 4.31Å; F306-I371 HydrophobicContact CD1-CD1 4.49Å; F306-I371 HydrophobicContact CD2-CB 3.51Å; F306-I371 HydrophobicContact CD2-CG2 3.35Å; F306-I371 WeakPolarHBondContact CD2-O 3.09Å; F306-I371 HydrophobicContact CE2-CB 4.21Å; F306-I371 HydrophobicContact CE2-CG2 3.52Å; F306-I371 HydrophobicContact CG-CB 3.83Å; F306-I371 HydrophobicContact CG-CD1 4.26Å; F306-I371 HydrophobicContact CG-CG2 3.99Å; F306-I371 HydrophobicContact CZ-CG2 4.24Å; S307-I371 PolarHBondContact N-O 2.98Å; L327-I371 HydrophobicContact CD2-CD1 3.72Å; I371-V390 WeakPolarHBondContact CA-O 3.45Å; I371-V390 HydrophobicContact CG1-CB 4.41Å; I371-I392 HydrophobicContact CG2-CD1 3.73Å; I371-I392 HydrophobicContact CG2-CG1 4.14Å; I371-I428 HydrophobicContact CD1-CD1 3.54Å; I371-I428 HydrophobicContact CD1-CG1 4.01Å; I371-I428 HydrophobicContact CG1-CD1 4.36Å; I371-I428 HydrophobicContact CG1-CG1 4.31Å |
| 372 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.9 | -168.4 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | S307 F370 G374 M389 V390 G391 I392 M402 | S307-T372 WeakPolarHBondContact O-CA 3.34Å; F370-T372 HydrophobicContact CD1-CG2 4.07Å; F370-T372 VanDerWaalsContact CE1-CB 3.41Å; F370-T372 HydrophobicContact CE1-CG2 4.14Å; F370-T372 WeakPolarHBondContact CE1-OG1 3.19Å; T372-G374 PolarHBondContact O-N 3Å; T372-G374 PolarHBondContact OG1-N 3.44Å; T372-M389 HydrophobicContact CG2-CB 4.14Å; T372-M389 HydrophobicContact CG2-CG 4.11Å; T372-M389 HydrophobicContact CG2-SD 4.01Å; T372-V390 PolarHBondContact N-O 2.98Å; T372-G391 CarbonylContact O-C 3.42Å; T372-G391 VanDerWaalsContact O-CA 3.3Å; T372-G391 WeakPolarHBondContact O-CA 3.13Å; T372-I392 PolarHBondContact O-N 3.29Å; T372-M402 HydrophobicContact CG2-SD 4.38Å |
| 373 | H | 97.6 | Very high | 98 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 11% | 0.106 | 11% | 0.113 | C | C | . | . | trans | -66.6 | -9.4 | 164 | 69.5 | -40.1 | 0 | 0 | 0 | 114.5 | S307 L308 G375 I392 P393 M394 Q398 | S307-H373 PolarHBondContact O-N 3.46Å; L308-H373 HydrophobicContact CB-CB 4.3Å; L308-H373 HydrophobicContact CD2-CB 3.89Å; L308-H373 PolarHBondContact O-CD2 2.97Å; H373-G375 PolarHBondContact CE1-N 2.82Å; H373-I392 VanDerWaalsContact CA-O 3.3Å; H373-I392 WeakPolarHBondContact CA-O 3.28Å; H373-P393 WeakPolarHBondContact O-CA 3.18Å; H373-M394 HydrophobicContact CB-CG 4.02Å; H373-Q398 VanDerWaalsContact CD2-CD 3.42Å; H373-Q398 PolarHBondContact CD2-NE2 3.43Å; H373-Q398 VanDerWaalsContact CD2-NE2 3.33Å; H373-Q398 WeakPolarHBondContact O-CB 3.4Å; H373-Q398 VanDerWaalsContact O-CG 3.25Å; H373-Q398 WeakPolarHBondContact O-CG 3.28Å; H373-Q398 PolarHBondContact O-OE1 3.35Å | ||
| 374 | G | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | 80.5 | 16.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T372 I379 N401 M402 | T372-G374 PolarHBondContact O-N 3Å; T372-G374 PolarHBondContact OG1-N 3.44Å; G374-I379 VanDerWaalsContact O-CD1 3.26Å; G374-I379 WeakPolarHBondContact O-CD1 3.37Å; G374-N401 WeakPolarHBondContact O-CB 3.29Å; G374-N401 PolarHBondContact O-ND2 2.91Å; G374-M402 WeakPolarHBondContact CA-SD 3.25Å | ||
| 375 | G | 96.8 | Very high | 98 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.109 | C | C | . | . | trans | -64.3 | 138.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H373 N377 G378 I379 | H373-G375 PolarHBondContact CE1-N 2.82Å; G375-N377 VanDerWaalsContact C-N 3.26Å; G375-N377 PolarHBondContact O-N 3.35Å; G375-N377 VanDerWaalsContact O-N 3.1Å; G375-G378 PolarHBondContact O-N 3.29Å; G375-I379 PolarHBondContact O-N 2.91Å; G375-I379 VanDerWaalsContact O-N 3.11Å | ||
| 376 | T | 96.1 | Very high | 98.1 | Very high | 13 Ų | 13 | 15 Ų | 15 | 8% | 0.08 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -50.2 | -41.5 | -173 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | R172 F263 G378 I379 Y380 D397 N401 | R172-T376 PolarHBondContact NE-OG1 3.34Å; F263-T376 HydrophobicContact CE1-CG2 4.3Å; T376-G378 PolarHBondContact O-N 3.3Å; T376-I379 PolarHBondContact O-N 2.84Å; T376-Y380 HydrophobicContact CG2-CD2 3.65Å; T376-Y380 HydrophobicContact CG2-CE2 3.57Å; T376-Y380 WeakPolarHBondContact O-CD2 3.16Å; T376-Y380 PolarHBondContact O-N 3.39Å; T376-D397 PolarHBondContact OG1-OD2 3.49Å; T376-N401 PolarHBondContact OG1-ND2 3.39Å |
| 377 | N | 95.1 | Very high | 98.1 | Very high | 31 Ų | 31 | 13.1 Ų | 13.1 | 17% | 0.166 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 179.9 | -70.7 | -8.7 | 0 | 0 | 0 | 112.5 | S32 N36 H280 G375 I379 Y380 E381 | S32-N377 PolarHBondContact O-ND2 3.29Å; N36-N377 PolarHBondContact ND2-OD1 3.33Å; H280-N377 VanDerWaalsContact CE1-CA 3.47Å; H280-N377 WeakPolarHBondContact CE1-CA 3.25Å; H280-N377 PolarHBondContact CE1-O 2.88Å; H280-N377 WeakPolarHBondContact NE2-CA 3.33Å; H280-N377 PolarHBondContact NE2-O 3.15Å; G375-N377 VanDerWaalsContact C-N 3.26Å; G375-N377 PolarHBondContact O-N 3.35Å; G375-N377 VanDerWaalsContact O-N 3.1Å; N377-I379 VanDerWaalsContact C-N 3.33Å; N377-Y380 PolarHBondContact O-N 3.41Å; N377-E381 WeakPolarHBondContact O-CG 3.44Å; N377-E381 PolarHBondContact O-N 3.39Å; N377-E381 VanDerWaalsContact O-N 3.1Å |
| 378 | G | 96.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 4% | 0.041 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.8 | -34.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G375 T376 E381 A382 | G375-G378 PolarHBondContact O-N 3.29Å; T376-G378 PolarHBondContact O-N 3.3Å; G378-E381 PolarHBondContact O-N 3.08Å; G378-A382 WeakPolarHBondContact O-CB 3.42Å; G378-A382 PolarHBondContact O-N 3.4Å |
| 379 | I | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 174.1 | -72.7 | 173.1 | 0 | 0 | 0 | 110.8 | F263 G374 G375 T376 N377 E381 A382 I383 M389 N401 M402 M405 | F263-I379 HydrophobicContact CD2-CG2 3.7Å; F263-I379 HydrophobicContact CE2-CD1 4Å; F263-I379 HydrophobicContact CE2-CG2 3.95Å; F263-I379 HydrophobicContact CG-CG2 4.26Å; F263-I379 HydrophobicContact CZ-CD1 4.34Å; G374-I379 VanDerWaalsContact O-CD1 3.26Å; G374-I379 WeakPolarHBondContact O-CD1 3.37Å; G375-I379 PolarHBondContact O-N 2.91Å; G375-I379 VanDerWaalsContact O-N 3.11Å; T376-I379 PolarHBondContact O-N 2.84Å; N377-I379 VanDerWaalsContact C-N 3.33Å; I379-E381 PolarHBondContact O-N 3.43Å; I379-A382 WeakPolarHBondContact O-CB 3.39Å; I379-A382 PolarHBondContact O-N 2.89Å; I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 HydrophobicContact CG2-CG1 4.35Å; I379-I383 WeakPolarHBondContact O-CG1 3.12Å; I379-I383 PolarHBondContact O-N 3.3Å; I379-M389 HydrophobicContact CG1-SD 4.11Å; I379-M389 HydrophobicContact CG2-CE 4.5Å; I379-N401 HydrophobicContact CD1-CB 3.58Å; I379-M402 HydrophobicContact CD1-SD 4.44Å; I379-M405 HydrophobicContact CD1-CG 4.08Å; I379-M405 HydrophobicContact CG1-CG 4.39Å; I379-M405 HydrophobicContact CG2-CG 3.99Å; I379-M405 HydrophobicContact CG2-SD 3.69Å |
| 380 | Y | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.008 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65 | -37.7 | 177.9 | -86 | -65.6 | 0 | 0 | 0 | 113 | R258 T259 F260 F263 C281 T376 N377 A382 I383 Y384 H448 | R258-Y380 WeakPolarHBondContact O-CE2 3.48Å; T259-Y380 VanDerWaalsContact C-OH 3.31Å; T259-Y380 WeakPolarHBondContact CA-OH 3.3Å; F260-Y380 PolarHBondContact N-OH 2.95Å; F263-Y380 HydrophobicContact CB-CE1 4.02Å; F263-Y380 WeakPolarHBondContact CB-OH 3.25Å; F263-Y380 AromaticContact CD1-CE2 3.97Å; F263-Y380 HydrophobicContact CD1-CE2 3.97Å; F263-Y380 AromaticContact CD1-CZ 3.9Å; F263-Y380 WeakPolarHBondContact CD1-OH 3.48Å; C281-Y380 VanDerWaalsContact SG-C 3.52Å; T376-Y380 HydrophobicContact CG2-CD2 3.65Å; T376-Y380 HydrophobicContact CG2-CE2 3.57Å; T376-Y380 WeakPolarHBondContact O-CD2 3.16Å; T376-Y380 PolarHBondContact O-N 3.39Å; N377-Y380 PolarHBondContact O-N 3.41Å; Y380-A382 VanDerWaalsContact C-N 3.3Å; Y380-A382 PolarHBondContact O-N 3.27Å; Y380-I383 PolarHBondContact O-N 3.16Å; Y380-Y384 WeakPolarHBondContact O-CB 3.28Å; Y380-Y384 PolarHBondContact O-N 3.46Å; Y380-H448 AromaticContact CD1-CE1 3.86Å; Y380-H448 AromaticContact CD1-ND1 3.95Å |
| 381 | E | 98.3 | Very high | 98 | Very high | 27 Ų | 27 | 8.9 Ų | 8.9 | 13% | 0.126 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 173.2 | -68.9 | 174.2 | 171.7 | 0 | 0 | 111.3 | H280 Q358 L362 N377 G378 I379 Y384 H385 | H280-E381 IonicContact CD2-OE1 3.97Å; Q358-E381 PolarHBondContact NE2-OE2 3.43Å; L362-E381 HydrophobicContact CD1-CB 3.65Å; N377-E381 WeakPolarHBondContact O-CG 3.44Å; N377-E381 PolarHBondContact O-N 3.39Å; N377-E381 VanDerWaalsContact O-N 3.1Å; G378-E381 PolarHBondContact O-N 3.08Å; I379-E381 PolarHBondContact O-N 3.43Å; E381-Y384 PolarHBondContact O-N 2.93Å; E381-H385 PolarHBondContact O-CD2 3.36Å; E381-H385 PolarHBondContact O-N 2.84Å; E381-H385 VanDerWaalsContact O-N 3.08Å |
| 382 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F370 G378 I379 Y380 G386 I387 M389 | F370-A382 HydrophobicContact CD1-CB 3.92Å; G378-A382 WeakPolarHBondContact O-CB 3.42Å; G378-A382 PolarHBondContact O-N 3.4Å; I379-A382 WeakPolarHBondContact O-CB 3.39Å; I379-A382 PolarHBondContact O-N 2.89Å; Y380-A382 VanDerWaalsContact C-N 3.3Å; Y380-A382 PolarHBondContact O-N 3.27Å; A382-G386 CarbonylContact O-C 3.58Å; A382-G386 WeakPolarHBondContact O-CA 3.25Å; A382-G386 PolarHBondContact O-N 3.3Å; A382-I387 PolarHBondContact O-N 3.5Å; A382-M389 HydrophobicContact CB-CE 4.05Å; A382-M389 HydrophobicContact CB-CG 3.94Å; A382-M389 HydrophobicContact CB-SD 3.52Å; A382-M389 VanDerWaalsContact CB-SD 3.52Å |
| 383 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 173.4 | -69.8 | 171 | 0 | 0 | 0 | 110.2 | D262 F263 I379 Y380 H385 G386 M405 L444 S445 H448 | D262-I383 HydrophobicContact CB-CG2 4.27Å; F263-I383 HydrophobicContact CB-CD1 3.9Å; I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 HydrophobicContact CG2-CG1 4.35Å; I379-I383 WeakPolarHBondContact O-CG1 3.12Å; I379-I383 PolarHBondContact O-N 3.3Å; Y380-I383 PolarHBondContact O-N 3.16Å; I383-H385 VanDerWaalsContact C-N 3.28Å; I383-H385 PolarHBondContact O-N 2.91Å; I383-G386 PolarHBondContact O-N 2.86Å; I383-M405 HydrophobicContact CD1-CE 4.03Å; I383-M405 HydrophobicContact CD1-SD 4.01Å; I383-M405 HydrophobicContact CG1-CE 3.96Å; I383-L444 HydrophobicContact CG2-CB 3.99Å; I383-S445 VanDerWaalsContact O-CA 3.22Å; I383-S445 WeakPolarHBondContact O-CA 3.42Å; I383-S445 WeakPolarHBondContact O-CB 3.45Å; I383-S445 PolarHBondContact O-OG 3.33Å; I383-S445 VanDerWaalsContact O-OG 3.13Å; I383-H448 HydrophobicContact CG2-CB 3.88Å |
| 384 | Y | 98.5 | Very high | 97.8 | Very high | 39 Ų | 39 | 9.3 Ų | 9.3 | 15% | 0.153 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.1 | -45.1 | -179.1 | -175.2 | -81 | 0 | 0 | 0 | 111.4 | C281 K282 P283 Y380 E381 S445 H448 H449 | C281-Y384 HydrophobicContact CB-CD2 3.36Å; C281-Y384 HydrophobicContact CB-CE2 3.88Å; C281-Y384 HydrophobicContact CB-CG 3.79Å; K282-Y384 WeakPolarHBondContact O-CE1 3.3Å; P283-Y384 VanDerWaalsContact CD-OH 3.3Å; P283-Y384 WeakPolarHBondContact CD-OH 3.32Å; Y380-Y384 WeakPolarHBondContact O-CB 3.28Å; Y380-Y384 PolarHBondContact O-N 3.46Å; E381-Y384 PolarHBondContact O-N 2.93Å; Y384-S445 PolarHBondContact O-OG 2.89Å; Y384-H448 AromaticContact CD2-CD2 3.51Å; Y384-H448 AromaticContact CD2-NE2 3.49Å; Y384-H448 WeakPolarHBondContact CD2-NE2 3.47Å; Y384-H449 AromaticContact CD1-CE1 3.97Å; Y384-H449 AromaticContact CD2-CE1 3.58Å; Y384-H449 AromaticContact CE1-CE1 3.76Å; Y384-H449 AromaticContact CE2-CE1 3.33Å; Y384-H449 WeakPolarHBondContact CE2-CE1 3.43Å; Y384-H449 AromaticContact CE2-ND1 3.96Å; Y384-H449 AromaticContact CG-CE1 3.89Å; Y384-H449 AromaticContact CZ-CE1 3.43Å; Y384-H449 VanDerWaalsContact CZ-CE1 3.43Å; Y384-H449 PolarHBondContact O-NE2 2.84Å |
| 385 | H | 98.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 10.5 Ų | 10.5 | 15% | 0.153 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.5 | 179.6 | -63 | -64.4 | 0 | 0 | 0 | 114.2 | N359 L362 G363 E381 I383 I387 | N359-H385 PolarHBondContact O-NE2 2.94Å; N359-H385 VanDerWaalsContact O-NE2 3.17Å; N359-H385 PolarHBondContact OD1-NE2 2.88Å; L362-H385 HydrophobicContact CB-CB 4.29Å; L362-H385 WeakPolarHBondContact O-CB 3.29Å; G363-H385 VanDerWaalsContact CA-CG 3.42Å; G363-H385 WeakPolarHBondContact CA-ND1 3.46Å; E381-H385 PolarHBondContact O-CD2 3.36Å; E381-H385 PolarHBondContact O-N 2.84Å; E381-H385 VanDerWaalsContact O-N 3.08Å; I383-H385 VanDerWaalsContact C-N 3.28Å; I383-H385 PolarHBondContact O-N 2.91Å; H385-I387 HydrophobicContact CB-CG1 4.06Å |
| 386 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A382 I383 K438 V441 | A382-G386 CarbonylContact O-C 3.58Å; A382-G386 WeakPolarHBondContact O-CA 3.25Å; A382-G386 PolarHBondContact O-N 3.3Å; I383-G386 PolarHBondContact O-N 2.86Å; G386-K438 PolarHBondContact O-NZ 3.36Å; G386-V441 VanDerWaalsContact C-CG1 3.45Å; G386-V441 VanDerWaalsContact O-CG1 3.22Å; G386-V441 WeakPolarHBondContact O-CG1 3.33Å |
| 387 | I | 98.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | trans | -103.2 | 121.9 | -177.2 | -55.5 | -54.7 | 0 | 0 | 0 | 110.7 | L362 T367 F370 A382 H385 | L362-I387 HydrophobicContact CB-CG1 4.45Å; L362-I387 HydrophobicContact CD2-CB 4.39Å; L362-I387 HydrophobicContact CD2-CG1 4.34Å; L362-I387 HydrophobicContact CD2-CG2 4.19Å; L362-I387 WeakPolarHBondContact O-CD1 3.25Å; L362-I387 VanDerWaalsContact O-CG1 3.29Å; L362-I387 WeakPolarHBondContact O-CG1 3.24Å; T367-I387 HydrophobicContact CG2-CD1 3.94Å; T367-I387 HydrophobicContact CG2-CG1 4.12Å; T367-I387 HydrophobicContact CG2-CG2 3.92Å; F370-I387 HydrophobicContact CB-CG2 3.87Å; A382-I387 PolarHBondContact O-N 3.5Å; H385-I387 HydrophobicContact CB-CG1 4.06Å | ||
| 388 | P | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.013 | 7% | 0.068 | C | C | . | . | trans | -71.7 | 157 | 177.9 | 31.9 | -35.8 | 0 | 0 | 0 | 111.1 | K368 A369 F370 V431 V441 | K368-P388 WeakPolarHBondContact O-CD 3.44Å; K368-P388 WeakPolarHBondContact O-CG 3.15Å; A369-P388 WeakPolarHBondContact CA-O 3.33Å; F370-P388 PolarHBondContact N-O 3.33Å; P388-V431 HydrophobicContact CB-CB 4.37Å; P388-V441 HydrophobicContact CB-CG1 4.31Å | ||
| 389 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145 | -166.1 | -70 | 171.5 | -78.4 | 0 | 0 | 114.3 | F370 T372 I379 A382 M405 A410 A411 V412 | F370-M389 HydrophobicContact CB-CG 4.11Å; F370-M389 HydrophobicContact CD1-CG 4.07Å; F370-M389 HydrophobicContact CD1-SD 4.3Å; F370-M389 CarbonylContact O-C 3.58Å; F370-M389 WeakPolarHBondContact O-CA 3.35Å; T372-M389 HydrophobicContact CG2-CB 4.14Å; T372-M389 HydrophobicContact CG2-CG 4.11Å; T372-M389 HydrophobicContact CG2-SD 4.01Å; I379-M389 HydrophobicContact CG1-SD 4.11Å; I379-M389 HydrophobicContact CG2-CE 4.5Å; A382-M389 HydrophobicContact CB-CE 4.05Å; A382-M389 HydrophobicContact CB-CG 3.94Å; A382-M389 HydrophobicContact CB-SD 3.52Å; A382-M389 VanDerWaalsContact CB-SD 3.52Å; M389-M405 HydrophobicContact CE-CB 4.41Å; M389-M405 HydrophobicContact CE-CE 3.28Å; M389-M405 HydrophobicContact CE-CG 3.93Å; M389-M405 HydrophobicContact CE-SD 4.18Å; M389-A410 PolarHBondContact N-O 3.29Å; M389-A410 VanDerWaalsContact N-O 3.08Å; M389-A411 HydrophobicContact CB-CB 3.99Å; M389-A411 CarbonylContact O-C 3.46Å; M389-A411 WeakPolarHBondContact O-CA 3.22Å; M389-A411 WeakPolarHBondContact O-CB 3.22Å; M389-V412 PolarHBondContact O-N 3.37Å |
| 390 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.1 | 156.3 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | F370 I371 T372 V412 Q414 L424 A427 I428 V431 | F370-V390 PolarHBondContact O-N 3.43Å; I371-V390 WeakPolarHBondContact CA-O 3.45Å; I371-V390 HydrophobicContact CG1-CB 4.41Å; T372-V390 PolarHBondContact N-O 2.98Å; V390-V412 CarbonylContact C-O 3.59Å; V390-V412 WeakPolarHBondContact CA-O 3.31Å; V390-Q414 HydrophobicContact CG1-CG 3.94Å; V390-L424 HydrophobicContact CG1-CD1 4.05Å; V390-A427 HydrophobicContact CG1-CB 4.09Å; V390-A427 HydrophobicContact CG2-CB 4.37Å; V390-I428 HydrophobicContact CG2-CG1 3.95Å; V390-V431 HydrophobicContact CG2-CG1 4.05Å; V390-V431 HydrophobicContact CG2-CG2 3.64Å |
| 391 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T372 M402 V412 I413 Q414 | T372-G391 CarbonylContact O-C 3.42Å; T372-G391 VanDerWaalsContact O-CA 3.3Å; T372-G391 WeakPolarHBondContact O-CA 3.13Å; G391-M402 VanDerWaalsContact CA-CE 3.48Å; G391-V412 PolarHBondContact N-O 2.77Å; G391-I413 CarbonylContact O-C 3.58Å; G391-Q414 PolarHBondContact O-N 3.26Å |
| 392 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | trans | -122.4 | 79.8 | 169.2 | -39.8 | 179.3 | 0 | 0 | 0 | 106.5 | L308 I371 T372 H373 M394 Q414 L416 M419 L424 | L308-I392 HydrophobicContact CD2-CB 4.49Å; I371-I392 HydrophobicContact CG2-CD1 3.73Å; I371-I392 HydrophobicContact CG2-CG1 4.14Å; T372-I392 PolarHBondContact O-N 3.29Å; H373-I392 VanDerWaalsContact CA-O 3.3Å; H373-I392 WeakPolarHBondContact CA-O 3.28Å; I392-M394 HydrophobicContact CB-CE 3.72Å; I392-M394 HydrophobicContact CG2-CE 3.25Å; I392-M394 WeakPolarHBondContact O-CE 3.31Å; I392-Q414 HydrophobicContact CG1-CB 4.33Å; I392-L416 HydrophobicContact CG2-CB 4.13Å; I392-M419 HydrophobicContact CD1-CE 4.22Å; I392-M419 HydrophobicContact CD1-SD 4.1Å; I392-M419 HydrophobicContact CG2-CE 4.15Å; I392-M419 HydrophobicContact CG2-SD 3.85Å; I392-L424 HydrophobicContact CD1-CD1 4.1Å | ||
| 393 | P | 97.1 | Very high | 97.4 | Very high | 23 Ų | 23 | 13.8 Ų | 13.8 | 15% | 0.149 | 8% | 0.08 | C | C | . | . | trans | -65.2 | 141.9 | -176.7 | 28.1 | -35.5 | 0 | 0 | 0 | 111.9 | H373 Q398 P399 M402 I413 Q414 | H373-P393 WeakPolarHBondContact O-CA 3.18Å; P393-Q398 HydrophobicContact CB-CB 3.74Å; P393-P399 HydrophobicContact CB-CB 4.2Å; P393-P399 HydrophobicContact CB-CG 3.89Å; P393-P399 HydrophobicContact CG-CB 4.36Å; P393-P399 HydrophobicContact CG-CG 4.41Å; P393-M402 HydrophobicContact CB-CG 4.47Å; P393-I413 HydrophobicContact CG-CG2 4.24Å; P393-Q414 WeakPolarHBondContact CD-O 3.37Å | ||
| 394 | M | 94.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 14 Ų | 14 | 3% | 0.034 | 8% | 0.081 | C | C | . | . | trans | -116.4 | -41.3 | -172 | -56.8 | -76.5 | 123.1 | 0 | 0 | 112.6 | S95 M96 L308 V312 L315 H373 I392 Q398 L416 | S95-M394 CarbonylContact C-O 3.56Å; M96-M394 HydrophobicContact CE-SD 3.83Å; M96-M394 HydrophobicContact CG-CB 4.03Å; M96-M394 WeakPolarHBondContact CG-O 3.29Å; M96-M394 HydrophobicContact SD-CB 4.42Å; L308-M394 HydrophobicContact CD1-CE 4.34Å; L308-M394 HydrophobicContact CD1-SD 4.19Å; L308-M394 HydrophobicContact CD2-CE 4.05Å; L308-M394 HydrophobicContact CD2-CG 4.45Å; V312-M394 HydrophobicContact CG2-CB 4.43Å; V312-M394 HydrophobicContact CG2-CG 4.35Å; L315-M394 HydrophobicContact CD2-SD 4.48Å; H373-M394 HydrophobicContact CB-CG 4.02Å; I392-M394 HydrophobicContact CB-CE 3.72Å; I392-M394 HydrophobicContact CG2-CE 3.25Å; I392-M394 WeakPolarHBondContact O-CE 3.31Å; M394-Q398 VanDerWaalsContact CB-OE1 3.29Å; M394-L416 HydrophobicContact CE-CB 3.86Å; M394-L416 HydrophobicContact CE-CD1 4.02Å; M394-L416 HydrophobicContact CE-CD2 3.99Å; M394-L416 HydrophobicContact CE-CG 4.15Å; M394-L416 HydrophobicContact SD-CD2 3.7Å; M394-L416 HydrophobicContact SD-CG 4.48Å | ||
| 395 | F | 93.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 12.2 Ų | 12.2 | 11% | 0.114 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -163.3 | 171.6 | -175.2 | 65.4 | -86.8 | 0 | 0 | 0 | 112.6 | L92 S95 M311 V312 D397 Q398 | L92-F395 HydrophobicContact CD2-CB 4.35Å; L92-F395 HydrophobicContact CD2-CD1 3.44Å; L92-F395 VanDerWaalsContact CD2-CD1 3.44Å; L92-F395 HydrophobicContact CD2-CD2 4.18Å; L92-F395 HydrophobicContact CD2-CE1 3.68Å; L92-F395 HydrophobicContact CD2-CE2 4.39Å; L92-F395 HydrophobicContact CD2-CG 3.74Å; L92-F395 HydrophobicContact CD2-CZ 4.17Å; S95-F395 VanDerWaalsContact CB-CB 3.47Å; M311-F395 HydrophobicContact CB-CE1 4.33Å; M311-F395 HydrophobicContact CB-CZ 4.02Å; M311-F395 HydrophobicContact CG-CZ 4.39Å; M311-F395 HydrophobicContact SD-CE2 3.78Å; M311-F395 HydrophobicContact SD-CZ 3.48Å; M311-F395 WeakPolarHBondContact SD-CZ 3.4Å; V312-F395 HydrophobicContact CG2-CD1 4.43Å; V312-F395 HydrophobicContact CG2-CE1 3.99Å; F395-D397 PolarHBondContact O-N 3.01Å; F395-Q398 VanDerWaalsContact CD1-NE2 3.31Å; F395-Q398 VanDerWaalsContact N-OE1 3.14Å; F395-Q398 VanDerWaalsContact O-CB 3.25Å; F395-Q398 WeakPolarHBondContact O-CB 3.46Å; F395-Q398 VanDerWaalsContact O-CG 3.29Å; F395-Q398 WeakPolarHBondContact O-CG 3.4Å; F395-Q398 PolarHBondContact O-N 3.25Å; F395-Q398 PolarHBondContact O-NE2 2.94Å |
| 396 | A | 93.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 15.2 Ų | 15.2 | 46% | 0.455 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -127.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M197 Q398 P399 | M197-A396 VanDerWaalsContact CE-C 3.41Å; M197-A396 WeakPolarHBondContact CE-O 3.29Å; A396-Q398 VanDerWaalsContact C-N 3.27Å; A396-Q398 PolarHBondContact O-N 3Å; A396-P399 VanDerWaalsContact O-CD 3.31Å; A396-P399 WeakPolarHBondContact O-CD 3.46Å |
| 397 | D | 94.6 | Very high | 97.4 | Very high | 27 Ų | 27 | 18 Ų | 18 | 14% | 0.144 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.1 | -173.9 | 62 | -47.3 | 0 | 0 | 0 | 114.7 | F173 M197 T376 F395 D400 N401 | F173-D397 HydrophobicContact CE1-CB 3.43Å; F173-D397 VanDerWaalsContact CE1-CB 3.43Å; F173-D397 HydrophobicContact CZ-CB 3.57Å; M197-D397 WeakPolarHBondContact SD-CA 3.41Å; M197-D397 HydrophobicContact SD-CB 3.84Å; T376-D397 PolarHBondContact OG1-OD2 3.49Å; F395-D397 PolarHBondContact O-N 3.01Å; D397-D400 WeakPolarHBondContact O-CB 3.3Å; D397-D400 PolarHBondContact O-N 3.45Å; D397-D400 VanDerWaalsContact O-N 3.16Å; D397-N401 PolarHBondContact O-N 3.47Å; D397-N401 PolarHBondContact O-ND2 2.98Å; D397-N401 PolarHBondContact OD2-ND2 3.36Å |
| 398 | Q | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | -172.2 | -69 | 159.8 | 32.5 | 0 | 0 | 114.1 | H373 P393 M394 F395 A396 D400 N401 M402 | H373-Q398 VanDerWaalsContact CD2-CD 3.42Å; H373-Q398 PolarHBondContact CD2-NE2 3.43Å; H373-Q398 VanDerWaalsContact CD2-NE2 3.33Å; H373-Q398 WeakPolarHBondContact O-CB 3.4Å; H373-Q398 VanDerWaalsContact O-CG 3.25Å; H373-Q398 WeakPolarHBondContact O-CG 3.28Å; H373-Q398 PolarHBondContact O-OE1 3.35Å; P393-Q398 HydrophobicContact CB-CB 3.74Å; M394-Q398 VanDerWaalsContact CB-OE1 3.29Å; F395-Q398 VanDerWaalsContact CD1-NE2 3.31Å; F395-Q398 VanDerWaalsContact N-OE1 3.14Å; F395-Q398 VanDerWaalsContact O-CB 3.25Å; F395-Q398 WeakPolarHBondContact O-CB 3.46Å; F395-Q398 VanDerWaalsContact O-CG 3.29Å; F395-Q398 WeakPolarHBondContact O-CG 3.4Å; F395-Q398 PolarHBondContact O-N 3.25Å; F395-Q398 PolarHBondContact O-NE2 2.94Å; A396-Q398 VanDerWaalsContact C-N 3.27Å; A396-Q398 PolarHBondContact O-N 3Å; Q398-D400 VanDerWaalsContact C-N 3.32Å; Q398-D400 PolarHBondContact O-N 3.5Å; Q398-N401 PolarHBondContact O-N 3.45Å; Q398-M402 WeakPolarHBondContact O-CG 3.41Å; Q398-M402 PolarHBondContact O-N 2.96Å |
| 399 | P | 97.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 20.1 Ų | 20.1 | 20% | 0.195 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.1 | -20 | 31.6 | 0 | 0 | 0 | 112.3 | K199 P393 A396 M402 V403 | K199-P399 HydrophobicContact CD-CB 4.12Å; P393-P399 HydrophobicContact CB-CB 4.2Å; P393-P399 HydrophobicContact CB-CG 3.89Å; P393-P399 HydrophobicContact CG-CB 4.36Å; P393-P399 HydrophobicContact CG-CG 4.41Å; A396-P399 VanDerWaalsContact O-CD 3.31Å; A396-P399 WeakPolarHBondContact O-CD 3.46Å; P399-M402 PolarHBondContact O-N 2.6Å; P399-V403 PolarHBondContact O-N 2.68Å; P399-V403 VanDerWaalsContact O-N 3.12Å |
| 400 | D | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 5% | 0.053 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 179.8 | -170.6 | 75.7 | 0 | 0 | 0 | 110.8 | K199 D397 Q398 M402 V403 H404 | K199-D400 VanDerWaalsContact CA-OD1 3.24Å; K199-D400 WeakPolarHBondContact CA-OD1 3.22Å; K199-D400 PolarHBondContact N-OD1 2.87Å; D397-D400 WeakPolarHBondContact O-CB 3.3Å; D397-D400 PolarHBondContact O-N 3.45Å; D397-D400 VanDerWaalsContact O-N 3.16Å; Q398-D400 VanDerWaalsContact C-N 3.32Å; Q398-D400 PolarHBondContact O-N 3.5Å; D400-M402 VanDerWaalsContact C-N 3.27Å; D400-M402 PolarHBondContact O-N 3.11Å; D400-V403 WeakPolarHBondContact O-CB 2.88Å; D400-V403 PolarHBondContact O-N 2.95Å; D400-V403 VanDerWaalsContact O-N 3.13Å; D400-H404 PolarHBondContact O-N 3.4Å; D400-H404 PolarHBondContact O-ND1 3.09Å; D400-H404 IonicContact OD2-CE1 2.67Å; D400-H404 PolarHBondContact OD2-CE1 2.75Å; D400-H404 IonicContact OD2-ND1 3.73Å |
| 401 | N | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58 | -39.5 | 175.1 | -65.8 | -24 | 0 | 0 | 0 | 112.3 | R172 F263 G374 T376 I379 D397 Q398 V403 H404 M405 | R172-N401 PolarHBondContact NH2-OD1 3.42Å; F263-N401 HydrophobicContact CE2-CB 4.17Å; F263-N401 HydrophobicContact CZ-CB 3.79Å; F263-N401 WeakPolarHBondContact CZ-OD1 3.38Å; G374-N401 WeakPolarHBondContact O-CB 3.29Å; G374-N401 PolarHBondContact O-ND2 2.91Å; T376-N401 PolarHBondContact OG1-ND2 3.39Å; I379-N401 HydrophobicContact CD1-CB 3.58Å; D397-N401 PolarHBondContact O-N 3.47Å; D397-N401 PolarHBondContact O-ND2 2.98Å; D397-N401 PolarHBondContact OD2-ND2 3.36Å; Q398-N401 PolarHBondContact O-N 3.45Å; N401-V403 VanDerWaalsContact C-N 3.35Å; N401-H404 WeakPolarHBondContact O-CB 3.25Å; N401-H404 PolarHBondContact O-N 3.4Å; N401-M405 PolarHBondContact O-N 3.42Å |
| 402 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.6 | -34.5 | 179.1 | -72.4 | -50 | -44.8 | 0 | 0 | 112.2 | T372 G374 I379 G391 P393 Q398 P399 D400 H404 M405 E406 A411 I413 | T372-M402 HydrophobicContact CG2-SD 4.38Å; G374-M402 WeakPolarHBondContact CA-SD 3.25Å; I379-M402 HydrophobicContact CD1-SD 4.44Å; G391-M402 VanDerWaalsContact CA-CE 3.48Å; P393-M402 HydrophobicContact CB-CG 4.47Å; Q398-M402 WeakPolarHBondContact O-CG 3.41Å; Q398-M402 PolarHBondContact O-N 2.96Å; P399-M402 PolarHBondContact O-N 2.6Å; D400-M402 VanDerWaalsContact C-N 3.27Å; D400-M402 PolarHBondContact O-N 3.11Å; M402-H404 VanDerWaalsContact C-N 3.29Å; M402-H404 PolarHBondContact O-N 3.01Å; M402-M405 HydrophobicContact CE-CB 4.29Å; M402-M405 PolarHBondContact O-N 2.91Å; M402-E406 WeakPolarHBondContact O-CB 3.41Å; M402-E406 PolarHBondContact O-N 2.91Å; M402-A411 HydrophobicContact CE-CB 3.4Å; M402-I413 HydrophobicContact CB-CD1 3.83Å; M402-I413 HydrophobicContact CB-CG1 4Å; M402-I413 HydrophobicContact CB-CG2 4.47Å |
| 403 | V | 98.3 | Very high | 97.3 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 171.2 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | K199 T201 P399 D400 N401 M405 E406 A407 I413 | K199-V403 HydrophobicContact CB-CG2 4.15Å; T201-V403 HydrophobicContact CG2-CG1 3.91Å; P399-V403 PolarHBondContact O-N 2.68Å; P399-V403 VanDerWaalsContact O-N 3.12Å; D400-V403 WeakPolarHBondContact O-CB 2.88Å; D400-V403 PolarHBondContact O-N 2.95Å; D400-V403 VanDerWaalsContact O-N 3.13Å; N401-V403 VanDerWaalsContact C-N 3.35Å; V403-M405 VanDerWaalsContact C-N 3.35Å; V403-M405 PolarHBondContact O-N 2.85Å; V403-E406 PolarHBondContact O-N 3.12Å; V403-A407 VanDerWaalsContact O-CB 3.28Å; V403-A407 WeakPolarHBondContact O-CB 3.38Å; V403-A407 PolarHBondContact O-N 2.94Å; V403-I413 HydrophobicContact CG2-CD1 4.23Å |
| 404 | H | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.3 | -68.3 | 63.8 | 0 | 0 | 0 | 111.5 | F263 D264 F265 D400 N401 M402 A407 K408 | F263-H404 HydrophobicContact CD2-CB 4.38Å; F263-H404 HydrophobicContact CE2-CB 3.92Å; D264-H404 IonicContact OD1-NE2 3.6Å; F265-H404 AromaticContact CD2-CD2 3.48Å; F265-H404 VanDerWaalsContact CD2-CD2 3.48Å; F265-H404 WeakPolarHBondContact CD2-CD2 3.4Å; F265-H404 AromaticContact CD2-NE2 3.48Å; F265-H404 WeakPolarHBondContact CD2-NE2 3.28Å; F265-H404 AromaticContact CE2-CD2 3.21Å; F265-H404 WeakPolarHBondContact CE2-CD2 3.28Å; F265-H404 AromaticContact CE2-CE1 3.97Å; F265-H404 AromaticContact CE2-CG 3.75Å; F265-H404 AromaticContact CE2-NE2 3.38Å; F265-H404 WeakPolarHBondContact CE2-NE2 3.31Å; F265-H404 AromaticContact CZ-CD2 3.94Å; D400-H404 PolarHBondContact O-N 3.4Å; D400-H404 PolarHBondContact O-ND1 3.09Å; D400-H404 IonicContact OD2-CE1 2.67Å; D400-H404 PolarHBondContact OD2-CE1 2.75Å; D400-H404 IonicContact OD2-ND1 3.73Å; N401-H404 WeakPolarHBondContact O-CB 3.25Å; N401-H404 PolarHBondContact O-N 3.4Å; M402-H404 VanDerWaalsContact C-N 3.29Å; M402-H404 PolarHBondContact O-N 3.01Å; H404-A407 PolarHBondContact O-N 3.43Å; H404-K408 WeakPolarHBondContact O-CG 3.28Å; H404-K408 PolarHBondContact O-N 2.9Å; H404-K408 VanDerWaalsContact O-N 3.08Å |
| 405 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.9 | -34.8 | 179.7 | -67.3 | -48.6 | -60.5 | 0 | 0 | 113.3 | F263 I379 I383 M389 N401 M402 V403 K408 G409 A410 A411 L444 | F263-M405 HydrophobicContact CD2-CG 4.37Å; F263-M405 HydrophobicContact CD2-SD 3.66Å; F263-M405 HydrophobicContact CE2-CG 4.29Å; F263-M405 HydrophobicContact CE2-SD 4.17Å; I379-M405 HydrophobicContact CD1-CG 4.08Å; I379-M405 HydrophobicContact CG1-CG 4.39Å; I379-M405 HydrophobicContact CG2-CG 3.99Å; I379-M405 HydrophobicContact CG2-SD 3.69Å; I383-M405 HydrophobicContact CD1-CE 4.03Å; I383-M405 HydrophobicContact CD1-SD 4.01Å; I383-M405 HydrophobicContact CG1-CE 3.96Å; M389-M405 HydrophobicContact CE-CB 4.41Å; M389-M405 HydrophobicContact CE-CE 3.28Å; M389-M405 HydrophobicContact CE-CG 3.93Å; M389-M405 HydrophobicContact CE-SD 4.18Å; N401-M405 PolarHBondContact O-N 3.42Å; M402-M405 HydrophobicContact CE-CB 4.29Å; M402-M405 PolarHBondContact O-N 2.91Å; V403-M405 VanDerWaalsContact C-N 3.35Å; V403-M405 PolarHBondContact O-N 2.85Å; M405-K408 PolarHBondContact O-N 3.41Å; M405-G409 PolarHBondContact O-N 2.87Å; M405-A410 HydrophobicContact CE-CB 3.59Å; M405-A410 PolarHBondContact O-N 2.84Å; M405-A411 HydrophobicContact CB-CB 3.72Å; M405-A411 PolarHBondContact O-N 3.05Å; M405-L444 HydrophobicContact CE-CD1 3.73Å |
| 406 | E | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 24.7 Ų | 24.7 | 45% | 0.449 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 173.1 | -175.5 | 172.6 | -110.6 | 0 | 0 | 111.2 | M402 V403 K408 G409 I413 | M402-E406 WeakPolarHBondContact O-CB 3.41Å; M402-E406 PolarHBondContact O-N 2.91Å; V403-E406 PolarHBondContact O-N 3.12Å; E406-K408 PolarHBondContact O-N 2.86Å; E406-G409 WeakPolarHBondContact O-CA 3.33Å; E406-G409 PolarHBondContact O-N 3.43Å; E406-I413 HydrophobicContact CB-CD1 3.99Å; E406-I413 HydrophobicContact CB-CG1 4.14Å; E406-I413 WeakPolarHBondContact OE2-CD1 3.5Å |
| 407 | A | 98.2 | Very high | 97.8 | Very high | 60 Ų | 60 | 23.1 Ų | 23.1 | 50% | 0.496 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60.8 | -31.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T201 F265 V403 H404 G409 | T201-A407 HydrophobicContact CG2-CB 3.87Å; F265-A407 HydrophobicContact CE1-CB 4.42Å; F265-A407 HydrophobicContact CZ-CB 4.1Å; V403-A407 VanDerWaalsContact O-CB 3.28Å; V403-A407 WeakPolarHBondContact O-CB 3.38Å; V403-A407 PolarHBondContact O-N 2.94Å; H404-A407 PolarHBondContact O-N 3.43Å; A407-G409 VanDerWaalsContact C-N 3.27Å |
| 408 | K | 98 | Very high | 97.9 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 14% | 0.135 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.2 | 172.2 | -66.7 | -178.2 | -164.8 | -85.7 | 0 | 113.6 | W261 D262 F263 D264 H404 M405 E406 A410 L444 | W261-K408 PolarHBondContact O-NZ 3.29Å; D262-K408 WeakPolarHBondContact O-CD 3.17Å; D262-K408 WeakPolarHBondContact O-CE 3.39Å; D262-K408 PolarHBondContact O-NZ 3.44Å; F263-K408 WeakPolarHBondContact O-CE 3.21Å; D264-K408 PolarHBondContact O-NZ 3.39Å; H404-K408 WeakPolarHBondContact O-CG 3.28Å; H404-K408 PolarHBondContact O-N 2.9Å; H404-K408 VanDerWaalsContact O-N 3.08Å; M405-K408 PolarHBondContact O-N 3.41Å; E406-K408 PolarHBondContact O-N 2.86Å; K408-A410 VanDerWaalsContact C-N 3.28Å; K408-A410 PolarHBondContact O-N 2.82Å; K408-L444 HydrophobicContact CB-CD1 4.07Å; K408-L444 HydrophobicContact CD-CD1 3.84Å; K408-L444 HydrophobicContact CD-CD2 3.93Å |
| 409 | G | 98.2 | Very high | 97.8 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 26.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M405 E406 A407 Y437 N440 | M405-G409 PolarHBondContact O-N 2.87Å; E406-G409 WeakPolarHBondContact O-CA 3.33Å; E406-G409 PolarHBondContact O-N 3.43Å; A407-G409 VanDerWaalsContact C-N 3.27Å; G409-Y437 WeakPolarHBondContact O-CA 3.48Å; G409-Y437 VanDerWaalsContact O-CD1 3.23Å; G409-Y437 WeakPolarHBondContact O-CD1 3.42Å; G409-N440 WeakPolarHBondContact O-CB 2.87Å; G409-N440 PolarHBondContact O-ND2 3.21Å |
| 410 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -111.3 | -1.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M389 M405 K408 V441 L444 | M389-A410 PolarHBondContact N-O 3.29Å; M389-A410 VanDerWaalsContact N-O 3.08Å; M405-A410 HydrophobicContact CE-CB 3.59Å; M405-A410 PolarHBondContact O-N 2.84Å; K408-A410 VanDerWaalsContact C-N 3.28Å; K408-A410 PolarHBondContact O-N 2.82Å; A410-V441 HydrophobicContact CB-CB 4.01Å; A410-V441 HydrophobicContact CB-CG2 4.37Å; A410-L444 HydrophobicContact CB-CD1 4.1Å |
| 411 | A | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 161.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | M389 M402 M405 | M389-A411 HydrophobicContact CB-CB 3.99Å; M389-A411 CarbonylContact O-C 3.46Å; M389-A411 WeakPolarHBondContact O-CA 3.22Å; M389-A411 WeakPolarHBondContact O-CB 3.22Å; M402-A411 HydrophobicContact CE-CB 3.4Å; M405-A411 HydrophobicContact CB-CB 3.72Å; M405-A411 PolarHBondContact O-N 3.05Å |
| 412 | V | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.9 | 164.9 | 174.6 | 0 | 0 | 0 | 0 | 108.5 | M389 V390 G391 A427 V431 Y437 | M389-V412 PolarHBondContact O-N 3.37Å; V390-V412 CarbonylContact C-O 3.59Å; V390-V412 WeakPolarHBondContact CA-O 3.31Å; G391-V412 PolarHBondContact N-O 2.77Å; V412-A427 HydrophobicContact CB-CB 4.43Å; V412-A427 HydrophobicContact CG1-CB 3.8Å; V412-V431 HydrophobicContact CB-CG1 4.15Å; V412-V431 HydrophobicContact CG2-CG1 3.68Å; V412-Y437 HydrophobicContact CG2-CE1 3.83Å; V412-Y437 HydrophobicContact CG2-CE2 4.37Å; V412-Y437 VanDerWaalsContact CG2-OH 3.23Å; V412-Y437 WeakPolarHBondContact CG2-OH 3.37Å |
| 413 | I | 98.4 | Very high | 97.9 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 23% | 0.226 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 139.4 | -180 | -46.4 | -178 | 0 | 0 | 0 | 110.2 | G391 P393 M402 V403 E406 | G391-I413 CarbonylContact O-C 3.58Å; P393-I413 HydrophobicContact CG-CG2 4.24Å; M402-I413 HydrophobicContact CB-CD1 3.83Å; M402-I413 HydrophobicContact CB-CG1 4Å; M402-I413 HydrophobicContact CB-CG2 4.47Å; V403-I413 HydrophobicContact CG2-CD1 4.23Å; E406-I413 HydrophobicContact CB-CD1 3.99Å; E406-I413 HydrophobicContact CB-CG1 4.14Å; E406-I413 WeakPolarHBondContact OE2-CD1 3.5Å |
| 414 | Q | 98.4 | Very high | 98 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | trans | -124.1 | 141.5 | 169.2 | -65.1 | -63.9 | -72 | 0 | 0 | 109 | V390 G391 I392 P393 M419 S423 L424 A427 | V390-Q414 HydrophobicContact CG1-CG 3.94Å; G391-Q414 PolarHBondContact O-N 3.26Å; I392-Q414 HydrophobicContact CG1-CB 4.33Å; P393-Q414 WeakPolarHBondContact CD-O 3.37Å; Q414-M419 HydrophobicContact CB-CB 4.27Å; Q414-M419 HydrophobicContact CB-SD 4.04Å; Q414-S423 PolarHBondContact OE1-OG 3.19Å; Q414-L424 HydrophobicContact CG-CD1 4.36Å; Q414-A427 HydrophobicContact CG-CB 4.2Å | ||
| 415 | N | 96.9 | Very high | 98 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | trans | -92.4 | 125.3 | 172.6 | 176.6 | -65.8 | 0 | 0 | 0 | 109.4 | D100 N417 F418 M419 | D100-N415 PolarHBondContact OD2-ND2 3.43Å; D100-N415 PolarHBondContact OD2-OD1 3.27Å; N415-N417 VanDerWaalsContact C-N 3.26Å; N415-N417 PolarHBondContact O-N 3.41Å; N415-N417 WeakPolarHBondContact OD1-CA 3.41Å; N415-N417 WeakPolarHBondContact OD1-CB 3.21Å; N415-N417 PolarHBondContact OD1-N 2.61Å; N415-F418 HydrophobicContact CB-CB 4.38Å; N415-F418 HydrophobicContact CB-CD2 4.04Å; N415-F418 PolarHBondContact O-N 3.45Å; N415-F418 WeakPolarHBondContact OD1-CD2 3.48Å; N415-F418 PolarHBondContact OD1-N 2.94Å; N415-M419 WeakPolarHBondContact O-CB 3.18Å; N415-M419 VanDerWaalsContact O-CG 3.26Å; N415-M419 WeakPolarHBondContact O-CG 3.45Å; N415-M419 PolarHBondContact O-N 2.81Å | ||
| 416 | L | 96.5 | Very high | 98 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -43 | -178.6 | 174.7 | 65.2 | 0 | 0 | 0 | 113 | M96 Y97 L315 K319 I392 M394 M419 | M96-L416 HydrophobicContact CB-CD2 4.4Å; M96-L416 HydrophobicContact CE-CD2 4.15Å; Y97-L416 HydrophobicContact CE1-CD2 4.25Å; L315-L416 HydrophobicContact CD2-CD1 4.46Å; K319-L416 HydrophobicContact CB-CD1 4.42Å; K319-L416 HydrophobicContact CD-CD1 4.32Å; K319-L416 WeakPolarHBondContact CD-O 3.42Å; K319-L416 VanDerWaalsContact CE-O 3.28Å; K319-L416 WeakPolarHBondContact CE-O 3.28Å; K319-L416 HydrophobicContact CG-CD1 4.35Å; K319-L416 PolarHBondContact NZ-O 3.4Å; I392-L416 HydrophobicContact CG2-CB 4.13Å; M394-L416 HydrophobicContact CE-CB 3.86Å; M394-L416 HydrophobicContact CE-CD1 4.02Å; M394-L416 HydrophobicContact CE-CD2 3.99Å; M394-L416 HydrophobicContact CE-CG 4.15Å; M394-L416 HydrophobicContact SD-CD2 3.7Å; M394-L416 HydrophobicContact SD-CG 4.48Å; L416-M419 HydrophobicContact CD1-CE 3.91Å |
| 417 | N | 96.1 | Very high | 98 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -31.7 | -173.9 | -68.2 | -45.8 | 0 | 0 | 0 | 112.4 | M96 D100 F101 K319 N415 | M96-N417 PolarHBondContact O-ND2 2.95Å; M96-N417 PolarHBondContact O-OD1 2.88Å; D100-N417 PolarHBondContact OD2-ND2 2.89Å; F101-N417 HydrophobicContact CE2-CB 4.3Å; F101-N417 HydrophobicContact CZ-CB 3.96Å; K319-N417 PolarHBondContact NZ-O 3.24Å; N415-N417 VanDerWaalsContact C-N 3.26Å; N415-N417 PolarHBondContact O-N 3.41Å; N415-N417 WeakPolarHBondContact OD1-CA 3.41Å; N415-N417 WeakPolarHBondContact OD1-CB 3.21Å; N415-N417 PolarHBondContact OD1-N 2.61Å |
| 418 | F | 96.6 | Very high | 98 | Very high | 124 Ų | 124 | 33.4 Ų | 33.4 | 54% | 0.544 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -10.3 | -174.6 | -50.9 | -57.2 | 0 | 0 | 0 | 115.4 | D100 F101 N415 | D100-F418 HydrophobicContact CB-CE2 4.03Å; D100-F418 HydrophobicContact CB-CZ 4.05Å; F101-F418 AromaticContact CE1-CE1 3.8Å; F101-F418 HydrophobicContact CE1-CE1 3.8Å; F101-F418 HydrophobicContact CE1-CZ 4.11Å; F101-F418 HydrophobicContact CZ-CE1 4.34Å; N415-F418 HydrophobicContact CB-CB 4.38Å; N415-F418 HydrophobicContact CB-CD2 4.04Å; N415-F418 PolarHBondContact O-N 3.45Å; N415-F418 WeakPolarHBondContact OD1-CD2 3.48Å; N415-F418 PolarHBondContact OD1-N 2.94Å |
| 419 | M | 96.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | trans | -68.7 | 147.9 | 178.6 | 70.8 | -175.1 | -173.9 | 0 | 0 | 111.9 | M322 I323 I392 Q414 N415 L416 | M322-M419 HydrophobicContact CE-CE 3.6Å; M322-M419 HydrophobicContact CE-CG 3.67Å; M322-M419 WeakPolarHBondContact CE-O 3.29Å; M322-M419 HydrophobicContact CE-SD 4.5Å; M322-M419 HydrophobicContact SD-CE 3.99Å; M322-M419 HydrophobicContact SD-CG 4.09Å; I323-M419 HydrophobicContact CD1-CE 3.68Å; I323-M419 HydrophobicContact CG1-CE 3.57Å; I392-M419 HydrophobicContact CD1-CE 4.22Å; I392-M419 HydrophobicContact CD1-SD 4.1Å; I392-M419 HydrophobicContact CG2-CE 4.15Å; I392-M419 HydrophobicContact CG2-SD 3.85Å; Q414-M419 HydrophobicContact CB-CB 4.27Å; Q414-M419 HydrophobicContact CB-SD 4.04Å; N415-M419 WeakPolarHBondContact O-CB 3.18Å; N415-M419 VanDerWaalsContact O-CG 3.26Å; N415-M419 WeakPolarHBondContact O-CG 3.45Å; N415-M419 PolarHBondContact O-N 2.81Å; L416-M419 HydrophobicContact CD1-CE 3.91Å | ||
| 420 | T | 98.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 37 Ų | 37 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | trans | -111.3 | 169.1 | 174.4 | 76.1 | 0 | 0 | 0 | 0 | 110.9 | E422 S423 L424 | T420-E422 PolarHBondContact O-N 2.94Å; T420-E422 PolarHBondContact OG1-N 3.21Å; T420-E422 PolarHBondContact OG1-OE2 3.08Å; T420-E422 VanDerWaalsContact OG1-OE2 3.12Å; T420-S423 PolarHBondContact N-OG 3.45Å; T420-S423 PolarHBondContact O-N 3.41Å; T420-S423 PolarHBondContact O-OG 3.48Å; T420-S423 PolarHBondContact OG1-N 3.21Å; T420-S423 VanDerWaalsContact OG1-N 3.11Å; T420-L424 PolarHBondContact O-N 3.21Å | ||
| 421 | T | 98.4 | Very high | 98.1 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.6 | -45.4 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | A326 Q329 R425 | A326-T421 HydrophobicContact CB-CG2 3.95Å; A326-T421 VanDerWaalsContact CB-O 3.26Å; A326-T421 WeakPolarHBondContact CB-O 3.29Å; Q329-T421 VanDerWaalsContact NE2-CG2 3.34Å; T421-R425 WeakPolarHBondContact O-CB 3.3Å; T421-R425 PolarHBondContact O-N 3.41Å; T421-R425 VanDerWaalsContact O-N 3.09Å |
| 422 | E | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 39 Ų | 39 | 42% | 0.421 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.5 | -45.7 | -178.4 | -61 | 66.6 | -142.1 | 0 | 0 | 110.9 | T420 L424 R425 D426 | T420-E422 PolarHBondContact O-N 2.94Å; T420-E422 PolarHBondContact OG1-N 3.21Å; T420-E422 PolarHBondContact OG1-OE2 3.08Å; T420-E422 VanDerWaalsContact OG1-OE2 3.12Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 3.43Å; E422-R425 PolarHBondContact O-N 3.27Å; E422-D426 WeakPolarHBondContact O-CB 3.29Å; E422-D426 PolarHBondContact O-N 2.85Å |
| 423 | S | 98.3 | Very high | 98 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -41.5 | -178.5 | 81.3 | 0 | 0 | 0 | 0 | 111.6 | Q414 T420 D426 A427 | Q414-S423 PolarHBondContact OE1-OG 3.19Å; T420-S423 PolarHBondContact N-OG 3.45Å; T420-S423 PolarHBondContact O-N 3.41Å; T420-S423 PolarHBondContact O-OG 3.48Å; T420-S423 PolarHBondContact OG1-N 3.21Å; T420-S423 VanDerWaalsContact OG1-N 3.11Å; S423-D426 PolarHBondContact O-N 2.93Å; S423-A427 VanDerWaalsContact O-CB 3.3Å; S423-A427 WeakPolarHBondContact O-CB 3.39Å; S423-A427 PolarHBondContact O-N 2.83Å |
| 424 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | 176.7 | 179.1 | 58.2 | 0 | 0 | 0 | 111.6 | I323 A326 V390 I392 Q414 T420 E422 D426 A427 I428 | I323-L424 HydrophobicContact CB-CD2 4.21Å; I323-L424 HydrophobicContact CG1-CD2 3.97Å; I323-L424 HydrophobicContact CG2-CD2 3.88Å; A326-L424 HydrophobicContact CB-CB 4.14Å; A326-L424 HydrophobicContact CB-CD2 4.03Å; A326-L424 HydrophobicContact CB-CG 4.16Å; V390-L424 HydrophobicContact CG1-CD1 4.05Å; I392-L424 HydrophobicContact CD1-CD1 4.1Å; Q414-L424 HydrophobicContact CG-CD1 4.36Å; T420-L424 PolarHBondContact O-N 3.21Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 3.43Å; L424-D426 VanDerWaalsContact C-N 3.28Å; L424-D426 PolarHBondContact O-N 2.99Å; L424-A427 PolarHBondContact O-N 3.25Å; L424-I428 HydrophobicContact CD1-CD1 3.95Å; L424-I428 HydrophobicContact CD1-CG1 4.25Å; L424-I428 HydrophobicContact CG-CD1 3.92Å; L424-I428 WeakPolarHBondContact O-CD1 3.42Å; L424-I428 VanDerWaalsContact O-CG1 3.22Å; L424-I428 WeakPolarHBondContact O-CG1 3.41Å; L424-I428 PolarHBondContact O-N 2.88Å |
| 425 | R | 98.7 | Very high | 98 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 175.8 | 178.4 | -161.8 | 70.6 | -146.9 | -9.6 | 111.1 | A326 Q329 L330 T421 E422 I428 K429 | A326-R425 HydrophobicContact CB-CB 4.43Å; Q329-R425 HydrophobicContact CB-CG 4.43Å; L330-R425 HydrophobicContact CD2-CG 4.02Å; T421-R425 WeakPolarHBondContact O-CB 3.3Å; T421-R425 PolarHBondContact O-N 3.41Å; T421-R425 VanDerWaalsContact O-N 3.09Å; E422-R425 PolarHBondContact O-N 3.27Å; R425-I428 PolarHBondContact O-N 2.85Å; R425-K429 HydrophobicContact CG-CD 4.36Å; R425-K429 WeakPolarHBondContact O-CG 3.38Å; R425-K429 PolarHBondContact O-N 3.12Å |
| 426 | D | 98.7 | Very high | 98.1 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.2 | -35.7 | -175.1 | -64.6 | -17.4 | 0 | 0 | 0 | 111.4 | E422 S423 L424 I428 K429 S430 | E422-D426 WeakPolarHBondContact O-CB 3.29Å; E422-D426 PolarHBondContact O-N 2.85Å; S423-D426 PolarHBondContact O-N 2.93Å; L424-D426 VanDerWaalsContact C-N 3.28Å; L424-D426 PolarHBondContact O-N 2.99Å; D426-I428 PolarHBondContact O-N 2.92Å; D426-K429 PolarHBondContact O-N 3.13Å; D426-S430 WeakPolarHBondContact O-CB 3.48Å; D426-S430 PolarHBondContact O-N 3.32Å |
| 427 | A | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V390 V412 Q414 S423 L424 S430 V431 | V390-A427 HydrophobicContact CG1-CB 4.09Å; V390-A427 HydrophobicContact CG2-CB 4.37Å; V412-A427 HydrophobicContact CB-CB 4.43Å; V412-A427 HydrophobicContact CG1-CB 3.8Å; Q414-A427 HydrophobicContact CG-CB 4.2Å; S423-A427 VanDerWaalsContact O-CB 3.3Å; S423-A427 WeakPolarHBondContact O-CB 3.39Å; S423-A427 PolarHBondContact O-N 2.83Å; L424-A427 PolarHBondContact O-N 3.25Å; A427-S430 WeakPolarHBondContact O-CB 3.36Å; A427-S430 PolarHBondContact O-N 3Å; A427-V431 PolarHBondContact O-N 3.29Å; A427-V431 VanDerWaalsContact O-N 3.09Å |
| 428 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 177.5 | -65.2 | 161.2 | 0 | 0 | 0 | 111 | I304 L327 L330 I371 V390 L424 R425 D426 S430 V431 I432 | I304-I428 HydrophobicContact CD1-CG2 3.61Å; L327-I428 HydrophobicContact CD2-CD1 4.04Å; L330-I428 HydrophobicContact CD1-CB 4.18Å; L330-I428 HydrophobicContact CD1-CD1 3.77Å; L330-I428 HydrophobicContact CD1-CG2 3.64Å; L330-I428 HydrophobicContact CD2-CG2 4.35Å; I371-I428 HydrophobicContact CD1-CD1 3.54Å; I371-I428 HydrophobicContact CD1-CG1 4.01Å; I371-I428 HydrophobicContact CG1-CD1 4.36Å; I371-I428 HydrophobicContact CG1-CG1 4.31Å; V390-I428 HydrophobicContact CG2-CG1 3.95Å; L424-I428 HydrophobicContact CD1-CD1 3.95Å; L424-I428 HydrophobicContact CD1-CG1 4.25Å; L424-I428 HydrophobicContact CG-CD1 3.92Å; L424-I428 WeakPolarHBondContact O-CD1 3.42Å; L424-I428 VanDerWaalsContact O-CG1 3.22Å; L424-I428 WeakPolarHBondContact O-CG1 3.41Å; L424-I428 PolarHBondContact O-N 2.88Å; R425-I428 PolarHBondContact O-N 2.85Å; D426-I428 PolarHBondContact O-N 2.92Å; I428-S430 VanDerWaalsContact C-N 3.29Å; I428-S430 PolarHBondContact O-N 2.92Å; I428-V431 VanDerWaalsContact O-CG2 3.28Å; I428-V431 WeakPolarHBondContact O-CG2 3.33Å; I428-V431 PolarHBondContact O-N 2.82Å; I428-I432 HydrophobicContact CG2-CD1 3.74Å; I428-I432 HydrophobicContact CG2-CG1 4.49Å; I428-I432 VanDerWaalsContact O-CG1 3.32Å; I428-I432 WeakPolarHBondContact O-CG1 3.3Å; I428-I432 PolarHBondContact O-N 2.76Å; I428-I432 VanDerWaalsContact O-N 3.16Å |
| 429 | K | 98.7 | Very high | 98.4 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 175.7 | -76.4 | 178.3 | 176.9 | 178.3 | 0 | 111.7 | L330 R425 D426 I432 N433 | L330-K429 HydrophobicContact CD2-CG 4.06Å; R425-K429 HydrophobicContact CG-CD 4.36Å; R425-K429 WeakPolarHBondContact O-CG 3.38Å; R425-K429 PolarHBondContact O-N 3.12Å; D426-K429 PolarHBondContact O-N 3.13Å; K429-I432 PolarHBondContact O-N 2.81Å; K429-N433 VanDerWaalsContact O-CB 3.22Å; K429-N433 WeakPolarHBondContact O-CB 3.43Å; K429-N433 VanDerWaalsContact O-CG 3.29Å; K429-N433 PolarHBondContact O-N 3.31Å; K429-N433 PolarHBondContact O-ND2 2.96Å |
| 430 | S | 98.4 | Very high | 98.5 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60 | -52.7 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | D426 A427 I428 I432 N433 N434 Y437 | D426-S430 WeakPolarHBondContact O-CB 3.48Å; D426-S430 PolarHBondContact O-N 3.32Å; A427-S430 WeakPolarHBondContact O-CB 3.36Å; A427-S430 PolarHBondContact O-N 3Å; I428-S430 VanDerWaalsContact C-N 3.29Å; I428-S430 PolarHBondContact O-N 2.92Å; S430-I432 VanDerWaalsContact C-N 3.28Å; S430-I432 PolarHBondContact O-N 3.46Å; S430-N433 PolarHBondContact O-N 2.84Å; S430-N434 VanDerWaalsContact O-CB 3.23Å; S430-N434 WeakPolarHBondContact O-CB 3.24Å; S430-N434 PolarHBondContact O-N 3.3Å; S430-Y437 WeakPolarHBondContact OG-CE2 3.37Å |
| 431 | V | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -26.4 | -177.3 | -59 | 0 | 0 | 0 | 0 | 113.7 | A369 P388 V390 V412 A427 I428 Y437 | A369-V431 HydrophobicContact CB-CG2 3.89Å; P388-V431 HydrophobicContact CB-CB 4.37Å; V390-V431 HydrophobicContact CG2-CG1 4.05Å; V390-V431 HydrophobicContact CG2-CG2 3.64Å; V412-V431 HydrophobicContact CB-CG1 4.15Å; V412-V431 HydrophobicContact CG2-CG1 3.68Å; A427-V431 PolarHBondContact O-N 3.29Å; A427-V431 VanDerWaalsContact O-N 3.09Å; I428-V431 VanDerWaalsContact O-CG2 3.28Å; I428-V431 WeakPolarHBondContact O-CG2 3.33Å; I428-V431 PolarHBondContact O-N 2.82Å; V431-Y437 HydrophobicContact CB-CD2 4.43Å; V431-Y437 HydrophobicContact CB-CG 4.4Å; V431-Y437 HydrophobicContact CG1-CD1 4.29Å; V431-Y437 HydrophobicContact CG1-CD2 4.31Å; V431-Y437 HydrophobicContact CG1-CE1 4.44Å; V431-Y437 HydrophobicContact CG1-CE2 4.45Å; V431-Y437 HydrophobicContact CG1-CG 4.24Å |
| 432 | I | 98.4 | Very high | 98.5 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.205 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -80.6 | -43.1 | 177.2 | -67.8 | 176.3 | 0 | 0 | 0 | 111.3 | I304 Q332 K368 A369 I428 K429 S430 | I304-I432 HydrophobicContact CD1-CD1 4.06Å; I304-I432 HydrophobicContact CG1-CD1 4.14Å; Q332-I432 HydrophobicContact CG-CD1 4.2Å; K368-I432 HydrophobicContact CB-CD1 4.15Å; K368-I432 HydrophobicContact CB-CG1 4.03Å; K368-I432 HydrophobicContact CB-CG2 4.31Å; A369-I432 HydrophobicContact CB-CD1 4.2Å; A369-I432 HydrophobicContact CB-CG1 3.81Å; I428-I432 HydrophobicContact CG2-CD1 3.74Å; I428-I432 HydrophobicContact CG2-CG1 4.49Å; I428-I432 VanDerWaalsContact O-CG1 3.32Å; I428-I432 WeakPolarHBondContact O-CG1 3.3Å; I428-I432 PolarHBondContact O-N 2.76Å; I428-I432 VanDerWaalsContact O-N 3.16Å; K429-I432 PolarHBondContact O-N 2.81Å; S430-I432 VanDerWaalsContact C-N 3.28Å; S430-I432 PolarHBondContact O-N 3.46Å |
| 433 | N | 97.9 | Very high | 98.6 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -94.9 | -29.5 | -168.5 | -63.2 | -29.1 | 0 | 0 | 0 | 113.4 | K429 S430 K435 | K429-N433 VanDerWaalsContact O-CB 3.22Å; K429-N433 WeakPolarHBondContact O-CB 3.43Å; K429-N433 VanDerWaalsContact O-CG 3.29Å; K429-N433 PolarHBondContact O-N 3.31Å; K429-N433 PolarHBondContact O-ND2 2.96Å; S430-N433 PolarHBondContact O-N 2.84Å; N433-K435 PolarHBondContact O-N 2.79Å |
| 434 | N | 98.4 | Very high | 98.6 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | trans | -82.1 | 112.5 | 176.2 | -175.7 | -7.4 | 0 | 0 | 0 | 109.9 | S430 S436 Y437 | S430-N434 VanDerWaalsContact O-CB 3.23Å; S430-N434 WeakPolarHBondContact O-CB 3.24Å; S430-N434 PolarHBondContact O-N 3.3Å; N434-S436 PolarHBondContact ND2-OG 3.48Å; N434-S436 PolarHBondContact O-N 3.46Å; N434-S436 VanDerWaalsContact O-N 3.15Å; N434-S436 PolarHBondContact OD1-N 2.77Å; N434-S436 VanDerWaalsContact OD1-N 3.15Å; N434-S436 PolarHBondContact OD1-OG 3Å; N434-S436 VanDerWaalsContact OD1-OG 3.06Å; N434-Y437 HydrophobicContact CB-CD2 3.9Å; N434-Y437 HydrophobicContact CB-CE2 4.11Å; N434-Y437 PolarHBondContact O-N 3.28Å | ||
| 435 | K | 97.9 | Very high | 98.6 | Very high | 156 Ų | 156 | 58 Ų | 58 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.1 | -29 | -176 | -67.3 | -178.2 | 179.3 | 179 | 0 | 113.3 | N433 Y437 K438 E439 | N433-K435 PolarHBondContact O-N 2.79Å; K435-Y437 VanDerWaalsContact C-N 3.28Å; K435-Y437 PolarHBondContact O-N 3.43Å; K435-K438 PolarHBondContact O-N 3.49Å; K435-K438 VanDerWaalsContact O-N 3.11Å; K435-E439 WeakPolarHBondContact O-CG 3.37Å; K435-E439 PolarHBondContact O-N 3.25Å |
| 436 | S | 98.6 | Very high | 98.6 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | -177.5 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | N434 K438 E439 N440 | N434-S436 PolarHBondContact ND2-OG 3.48Å; N434-S436 PolarHBondContact O-N 3.46Å; N434-S436 VanDerWaalsContact O-N 3.15Å; N434-S436 PolarHBondContact OD1-N 2.77Å; N434-S436 VanDerWaalsContact OD1-N 3.15Å; N434-S436 PolarHBondContact OD1-OG 3Å; N434-S436 VanDerWaalsContact OD1-OG 3.06Å; S436-K438 PolarHBondContact O-N 3.25Å; S436-E439 PolarHBondContact O-N 2.89Å; S436-N440 VanDerWaalsContact O-CB 3.24Å; S436-N440 WeakPolarHBondContact O-CB 3.31Å; S436-N440 PolarHBondContact O-N 3.15Å; S436-N440 PolarHBondContact O-ND2 3.43Å; S436-N440 VanDerWaalsContact O-ND2 3.08Å |
| 437 | Y | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.4 | -69 | -73.7 | 0 | 0 | 0 | 111.9 | G409 V412 S430 V431 N434 K435 V441 | G409-Y437 WeakPolarHBondContact O-CA 3.48Å; G409-Y437 VanDerWaalsContact O-CD1 3.23Å; G409-Y437 WeakPolarHBondContact O-CD1 3.42Å; V412-Y437 HydrophobicContact CG2-CE1 3.83Å; V412-Y437 HydrophobicContact CG2-CE2 4.37Å; V412-Y437 VanDerWaalsContact CG2-OH 3.23Å; V412-Y437 WeakPolarHBondContact CG2-OH 3.37Å; S430-Y437 WeakPolarHBondContact OG-CE2 3.37Å; V431-Y437 HydrophobicContact CB-CD2 4.43Å; V431-Y437 HydrophobicContact CB-CG 4.4Å; V431-Y437 HydrophobicContact CG1-CD1 4.29Å; V431-Y437 HydrophobicContact CG1-CD2 4.31Å; V431-Y437 HydrophobicContact CG1-CE1 4.44Å; V431-Y437 HydrophobicContact CG1-CE2 4.45Å; V431-Y437 HydrophobicContact CG1-CG 4.24Å; N434-Y437 HydrophobicContact CB-CD2 3.9Å; N434-Y437 HydrophobicContact CB-CE2 4.11Å; N434-Y437 PolarHBondContact O-N 3.28Å; K435-Y437 VanDerWaalsContact C-N 3.28Å; K435-Y437 PolarHBondContact O-N 3.43Å; Y437-V441 WeakPolarHBondContact O-CG1 3.42Å; Y437-V441 PolarHBondContact O-N 3Å |
| 438 | K | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 62.9 Ų | 62.9 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 177.7 | -177.1 | 61 | 177.6 | -179 | 0 | 111.1 | G386 K435 S436 V441 M442 | G386-K438 PolarHBondContact O-NZ 3.36Å; K435-K438 PolarHBondContact O-N 3.49Å; K435-K438 VanDerWaalsContact O-N 3.11Å; S436-K438 PolarHBondContact O-N 3.25Å; K438-V441 HydrophobicContact CD-CG1 4.35Å; K438-V441 WeakPolarHBondContact O-CG1 3.35Å; K438-M442 HydrophobicContact CD-CG 4.05Å; K438-M442 HydrophobicContact CG-CG 4.32Å; K438-M442 VanDerWaalsContact O-CB 3.31Å; K438-M442 WeakPolarHBondContact O-CB 3.45Å; K438-M442 WeakPolarHBondContact O-CG 3.5Å; K438-M442 PolarHBondContact O-N 3.02Å |
| 439 | E | 98.8 | Very high | 98.4 | Very high | 123 Ų | 123 | 67.4 Ų | 67.4 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 178.3 | -72.3 | 168.6 | -178 | 0 | 0 | 111.6 | K435 S436 M442 R443 | K435-E439 WeakPolarHBondContact O-CG 3.37Å; K435-E439 PolarHBondContact O-N 3.25Å; S436-E439 PolarHBondContact O-N 2.89Å; E439-M442 PolarHBondContact O-N 3.35Å; E439-R443 PolarHBondContact O-N 3.49Å |
| 440 | N | 98.8 | Very high | 98.3 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 178 | -74.2 | -29.4 | 0 | 0 | 0 | 111.6 | G409 S436 M442 R443 L444 | G409-N440 WeakPolarHBondContact O-CB 2.87Å; G409-N440 PolarHBondContact O-ND2 3.21Å; S436-N440 VanDerWaalsContact O-CB 3.24Å; S436-N440 WeakPolarHBondContact O-CB 3.31Å; S436-N440 PolarHBondContact O-N 3.15Å; S436-N440 PolarHBondContact O-ND2 3.43Å; S436-N440 VanDerWaalsContact O-ND2 3.08Å; N440-M442 VanDerWaalsContact C-N 3.31Å; N440-M442 PolarHBondContact O-N 2.84Å; N440-R443 VanDerWaalsContact O-CB 3.29Å; N440-R443 WeakPolarHBondContact O-CB 3.4Å; N440-R443 PolarHBondContact O-N 2.97Å; N440-R443 VanDerWaalsContact O-N 3.12Å; N440-L444 WeakPolarHBondContact O-CG 3.26Å; N440-L444 PolarHBondContact O-N 3.35Å |
| 441 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -32 | -179.9 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | G386 P388 A410 Y437 K438 R443 L444 S445 | G386-V441 VanDerWaalsContact C-CG1 3.45Å; G386-V441 VanDerWaalsContact O-CG1 3.22Å; G386-V441 WeakPolarHBondContact O-CG1 3.33Å; P388-V441 HydrophobicContact CB-CG1 4.31Å; A410-V441 HydrophobicContact CB-CB 4.01Å; A410-V441 HydrophobicContact CB-CG2 4.37Å; Y437-V441 WeakPolarHBondContact O-CG1 3.42Å; Y437-V441 PolarHBondContact O-N 3Å; K438-V441 HydrophobicContact CD-CG1 4.35Å; K438-V441 WeakPolarHBondContact O-CG1 3.35Å; V441-R443 VanDerWaalsContact C-N 3.32Å; V441-L444 PolarHBondContact O-N 3.43Å; V441-S445 WeakPolarHBondContact O-CB 3.3Å; V441-S445 PolarHBondContact O-N 2.89Å |
| 442 | M | 98.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 75.2 Ų | 75.2 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 172.5 | -72.4 | -60.5 | -56 | 0 | 0 | 111.6 | K438 E439 N440 S445 K446 | K438-M442 HydrophobicContact CD-CG 4.05Å; K438-M442 HydrophobicContact CG-CG 4.32Å; K438-M442 VanDerWaalsContact O-CB 3.31Å; K438-M442 WeakPolarHBondContact O-CB 3.45Å; K438-M442 WeakPolarHBondContact O-CG 3.5Å; K438-M442 PolarHBondContact O-N 3.02Å; E439-M442 PolarHBondContact O-N 3.35Å; N440-M442 VanDerWaalsContact C-N 3.31Å; N440-M442 PolarHBondContact O-N 2.84Å; M442-S445 WeakPolarHBondContact O-CB 3.18Å; M442-S445 PolarHBondContact O-N 3.22Å; M442-K446 PolarHBondContact O-N 3.09Å |
| 443 | R | 98.8 | Very high | 97.8 | Very high | 144 Ų | 144 | 77 Ų | 77 | 54% | 0.543 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 170.6 | -171.1 | -175.6 | 77 | -177.7 | 2 | 111 | E439 N440 V441 K446 I447 | E439-R443 PolarHBondContact O-N 3.49Å; N440-R443 VanDerWaalsContact O-CB 3.29Å; N440-R443 WeakPolarHBondContact O-CB 3.4Å; N440-R443 PolarHBondContact O-N 2.97Å; N440-R443 VanDerWaalsContact O-N 3.12Å; V441-R443 VanDerWaalsContact C-N 3.32Å; R443-K446 PolarHBondContact O-N 3.13Å; R443-I447 HydrophobicContact CG-CD1 4.42Å; R443-I447 WeakPolarHBondContact O-CG1 3.43Å; R443-I447 PolarHBondContact O-N 3.11Å; R443-I447 VanDerWaalsContact O-N 3.11Å |
| 444 | L | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.3 | -56.5 | -177.2 | 0 | 0 | 0 | 111.6 | D262 I383 M405 K408 A410 N440 V441 K446 I447 H448 | D262-L444 HydrophobicContact CB-CB 4.44Å; D262-L444 WeakPolarHBondContact O-CD2 3.42Å; I383-L444 HydrophobicContact CG2-CB 3.99Å; M405-L444 HydrophobicContact CE-CD1 3.73Å; K408-L444 HydrophobicContact CB-CD1 4.07Å; K408-L444 HydrophobicContact CD-CD1 3.84Å; K408-L444 HydrophobicContact CD-CD2 3.93Å; A410-L444 HydrophobicContact CB-CD1 4.1Å; N440-L444 WeakPolarHBondContact O-CG 3.26Å; N440-L444 PolarHBondContact O-N 3.35Å; V441-L444 PolarHBondContact O-N 3.43Å; L444-K446 VanDerWaalsContact C-N 3.33Å; L444-K446 PolarHBondContact O-N 3.1Å; L444-I447 PolarHBondContact O-N 3.26Å; L444-H448 WeakPolarHBondContact O-CB 3.43Å; L444-H448 PolarHBondContact O-N 2.85Å |
| 445 | S | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 8% | 0.077 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 174.1 | -174 | 0 | 0 | 0 | 0 | 111.5 | I383 Y384 V441 M442 I447 H448 H449 | I383-S445 VanDerWaalsContact O-CA 3.22Å; I383-S445 WeakPolarHBondContact O-CA 3.42Å; I383-S445 WeakPolarHBondContact O-CB 3.45Å; I383-S445 PolarHBondContact O-OG 3.33Å; I383-S445 VanDerWaalsContact O-OG 3.13Å; Y384-S445 PolarHBondContact O-OG 2.89Å; V441-S445 WeakPolarHBondContact O-CB 3.3Å; V441-S445 PolarHBondContact O-N 2.89Å; M442-S445 WeakPolarHBondContact O-CB 3.18Å; M442-S445 PolarHBondContact O-N 3.22Å; S445-I447 VanDerWaalsContact C-N 3.34Å; S445-I447 PolarHBondContact O-N 3.46Å; S445-H448 VanDerWaalsContact O-CB 3.28Å; S445-H448 WeakPolarHBondContact O-CB 3.35Å; S445-H448 PolarHBondContact O-N 3.08Å; S445-H448 VanDerWaalsContact O-N 3.1Å; S445-H449 PolarHBondContact O-CD2 3.24Å; S445-H449 PolarHBondContact O-N 3.33Å |
| 446 | K | 98.4 | Very high | 97.5 | Very high | 155 Ų | 155 | 66.4 Ų | 66.4 | 67% | 0.674 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.3 | -46.6 | 175.9 | -173.5 | -179.6 | 177.1 | -176.6 | 0 | 111.4 | M442 R443 L444 H448 H449 D450 | M442-K446 PolarHBondContact O-N 3.09Å; R443-K446 PolarHBondContact O-N 3.13Å; L444-K446 VanDerWaalsContact C-N 3.33Å; L444-K446 PolarHBondContact O-N 3.1Å; K446-H448 VanDerWaalsContact C-N 3.29Å; K446-H448 PolarHBondContact O-N 2.87Å; K446-H449 PolarHBondContact O-N 3.4Å; K446-D450 WeakPolarHBondContact O-CB 3.43Å; K446-D450 PolarHBondContact O-N 3.49Å |
| 447 | I | 97.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 176.2 | -64.4 | 164.4 | 0 | 0 | 0 | 111.2 | D262 R443 L444 S445 H449 D450 | D262-I447 HydrophobicContact CB-CB 4.31Å; D262-I447 HydrophobicContact CB-CG2 4.04Å; R443-I447 HydrophobicContact CG-CD1 4.42Å; R443-I447 WeakPolarHBondContact O-CG1 3.43Å; R443-I447 PolarHBondContact O-N 3.11Å; R443-I447 VanDerWaalsContact O-N 3.11Å; L444-I447 PolarHBondContact O-N 3.26Å; S445-I447 VanDerWaalsContact C-N 3.34Å; S445-I447 PolarHBondContact O-N 3.46Å; I447-H449 PolarHBondContact O-N 3.45Å; I447-D450 PolarHBondContact O-N 3.33Å |
| 448 | H | 97.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.028 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.1 | -172.2 | 80.8 | 0 | 0 | 0 | 112.1 | D262 Y380 I383 Y384 L444 S445 K446 R451 | D262-H448 WeakPolarHBondContact OD2-CA 3.37Å; D262-H448 WeakPolarHBondContact OD2-CB 3.24Å; D262-H448 IonicContact OD2-CE1 3.7Å; D262-H448 IonicContact OD2-CG 2.79Å; D262-H448 VanDerWaalsContact OD2-CG 3.27Å; D262-H448 IonicContact OD2-ND1 2.76Å; D262-H448 PolarHBondContact OD2-ND1 3.48Å; Y380-H448 AromaticContact CD1-CE1 3.86Å; Y380-H448 AromaticContact CD1-ND1 3.95Å; I383-H448 HydrophobicContact CG2-CB 3.88Å; Y384-H448 AromaticContact CD2-CD2 3.51Å; Y384-H448 AromaticContact CD2-NE2 3.49Å; Y384-H448 WeakPolarHBondContact CD2-NE2 3.47Å; L444-H448 WeakPolarHBondContact O-CB 3.43Å; L444-H448 PolarHBondContact O-N 2.85Å; S445-H448 VanDerWaalsContact O-CB 3.28Å; S445-H448 WeakPolarHBondContact O-CB 3.35Å; S445-H448 PolarHBondContact O-N 3.08Å; S445-H448 VanDerWaalsContact O-N 3.1Å; K446-H448 VanDerWaalsContact C-N 3.29Å; K446-H448 PolarHBondContact O-N 2.87Å; H448-R451 PolarHBondContact CE1-NH2 2.82Å; H448-R451 PolarHBondContact ND1-NH2 3.29Å; H448-R451 WeakPolarHBondContact O-CD 3.44Å; H448-R451 WeakPolarHBondContact O-CG 3.31Å; H448-R451 PolarHBondContact O-NE 2.89Å |
| 449 | H | 97.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 63.2 Ų | 63.2 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -82.1 | -24.9 | -178.7 | -68.6 | -69.6 | 0 | 0 | 0 | 113.5 | Y384 S445 K446 I447 R451 | Y384-H449 AromaticContact CD1-CE1 3.97Å; Y384-H449 AromaticContact CD2-CE1 3.58Å; Y384-H449 AromaticContact CE1-CE1 3.76Å; Y384-H449 AromaticContact CE2-CE1 3.33Å; Y384-H449 WeakPolarHBondContact CE2-CE1 3.43Å; Y384-H449 AromaticContact CE2-ND1 3.96Å; Y384-H449 AromaticContact CG-CE1 3.89Å; Y384-H449 AromaticContact CZ-CE1 3.43Å; Y384-H449 VanDerWaalsContact CZ-CE1 3.43Å; Y384-H449 PolarHBondContact O-NE2 2.84Å; S445-H449 PolarHBondContact O-CD2 3.24Å; S445-H449 PolarHBondContact O-N 3.33Å; K446-H449 PolarHBondContact O-N 3.4Å; I447-H449 PolarHBondContact O-N 3.45Å; H449-R451 PolarHBondContact O-N 3.26Å |
| 450 | D | 96.8 | Very high | 97.3 | Very high | 129 Ų | 129 | 57.3 Ų | 57.3 | 69% | 0.69 | 29% | 0.286 | S | S | * | . | trans | -80.4 | 68.2 | -179.7 | -165.2 | 18.4 | 0 | 0 | 0 | 111.4 | K446 I447 | K446-D450 WeakPolarHBondContact O-CB 3.43Å; K446-D450 PolarHBondContact O-N 3.49Å; I447-D450 PolarHBondContact O-N 3.33Å | ||
| 451 | R | 94.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | trans | -129.9 | 147 | 179.9 | -60.2 | -175.3 | -166.5 | -170.7 | 8.6 | 110.2 | F260 D262 G277 H448 H449 M453 | F260-R451 VanDerWaalsContact CB-NH2 3.27Å; F260-R451 HydrophobicContact CE1-CG 4.13Å; F260-R451 VanDerWaalsContact CE1-NE 3.27Å; F260-R451 VanDerWaalsContact CG-NH1 3.34Å; F260-R451 HydrophobicContact CZ-CG 4.03Å; D262-R451 IonicContact OD1-NH2 3.85Å; D262-R451 IonicContact OD2-NH2 3.66Å; D262-R451 PolarHBondContact OD2-NH2 3.4Å; G277-R451 PolarHBondContact O-NH1 2.8Å; G277-R451 PolarHBondContact O-NH2 2.73Å; H448-R451 PolarHBondContact CE1-NH2 2.82Å; H448-R451 PolarHBondContact ND1-NH2 3.29Å; H448-R451 WeakPolarHBondContact O-CD 3.44Å; H448-R451 WeakPolarHBondContact O-CG 3.31Å; H448-R451 PolarHBondContact O-NE 2.89Å; H449-R451 PolarHBondContact O-N 3.26Å; R451-M453 WeakPolarHBondContact CB-O 3.11Å; R451-M453 PolarHBondContact O-N 3.29Å | ||
| 452 | P | 94.4 | Very high | 97.2 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 88% | 0.877 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -65.7 | -27.9 | 179.2 | 26.7 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 453 | M | 95.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -136.4 | 152.1 | 176.6 | -69.9 | -179.1 | 59.9 | 0 | 0 | 109.6 | R451 D457 E458 F461 | R451-M453 WeakPolarHBondContact CB-O 3.11Å; R451-M453 PolarHBondContact O-N 3.29Å; M453-D457 HydrophobicContact CE-CB 3.82Å; M453-D457 WeakPolarHBondContact CE-O 3.47Å; M453-E458 HydrophobicContact CB-CB 4.45Å; M453-F461 HydrophobicContact CE-CB 4Å |
| 454 | S | 95.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | trans | -63 | 147.9 | 170.5 | 83.7 | 0 | 0 | 0 | 0 | 109.6 | R456 D457 E458 | S454-R456 PolarHBondContact O-N 3.37Å; S454-R456 VanDerWaalsContact O-N 3.12Å; S454-D457 PolarHBondContact O-N 3.17Å; S454-D457 VanDerWaalsContact O-N 3.09Å; S454-D457 WeakPolarHBondContact OG-CB 3.23Å; S454-D457 PolarHBondContact OG-N 3.27Å; S454-D457 PolarHBondContact OG-OD2 2.96Å; S454-E458 PolarHBondContact O-N 3.39Å | ||
| 455 | P | 96.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 52 Ų | 52 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.9 | -33.2 | 179.9 | -24.6 | 33.9 | 0 | 0 | 0 | 112.4 | G277 I279 A459 | G277-P455 WeakPolarHBondContact O-CG 3.38Å; I279-P455 HydrophobicContact CG2-CB 3.88Å; I279-P455 WeakPolarHBondContact CG2-O 3.49Å; P455-A459 PolarHBondContact O-N 3.25Å; P455-A459 VanDerWaalsContact O-N 3.1Å |
| 456 | R | 95.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 24% | 0.242 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.6 | -47.4 | 177.2 | -167.1 | -175.3 | -54.2 | 178.1 | 0.1 | 112.1 | T43 I279 S454 E458 A459 V460 | T43-R456 WeakPolarHBondContact OG1-CD 3.49Å; I279-R456 PolarHBondContact O-NE 3.3Å; S454-R456 PolarHBondContact O-N 3.37Å; S454-R456 VanDerWaalsContact O-N 3.12Å; R456-E458 VanDerWaalsContact C-N 3.28Å; R456-E458 PolarHBondContact O-N 2.82Å; R456-A459 PolarHBondContact O-N 3.36Å; R456-V460 VanDerWaalsContact O-CG2 3.32Å; R456-V460 WeakPolarHBondContact O-CG2 3.2Å; R456-V460 PolarHBondContact O-N 3.49Å |
| 457 | D | 96.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -33.8 | 178.5 | -69.1 | -50.8 | 0 | 0 | 0 | 111.8 | R47 M453 S454 F461 | R47-D457 IonicContact CZ-OD1 2.66Å; R47-D457 IonicContact NH2-OD1 3.83Å; R47-D457 PolarHBondContact NH2-OD1 3.32Å; M453-D457 HydrophobicContact CE-CB 3.82Å; M453-D457 WeakPolarHBondContact CE-O 3.47Å; S454-D457 PolarHBondContact O-N 3.17Å; S454-D457 VanDerWaalsContact O-N 3.09Å; S454-D457 WeakPolarHBondContact OG-CB 3.23Å; S454-D457 PolarHBondContact OG-N 3.27Å; S454-D457 PolarHBondContact OG-OD2 2.96Å; D457-F461 WeakPolarHBondContact O-CB 3.32Å; D457-F461 PolarHBondContact O-N 2.95Å |
| 458 | E | 97.6 | Very high | 97 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -47 | 174.2 | -177.9 | 169.2 | -174.5 | 0 | 0 | 111.3 | V276 M453 S454 R456 V460 F461 W462 | V276-E458 HydrophobicContact CG1-CB 4.18Å; V276-E458 HydrophobicContact CG1-CG 3.99Å; M453-E458 HydrophobicContact CB-CB 4.45Å; S454-E458 PolarHBondContact O-N 3.39Å; R456-E458 VanDerWaalsContact C-N 3.28Å; R456-E458 PolarHBondContact O-N 2.82Å; E458-V460 VanDerWaalsContact C-N 3.35Å; E458-V460 PolarHBondContact O-N 3.08Å; E458-F461 PolarHBondContact O-N 3.38Å; E458-W462 PolarHBondContact O-N 3.26Å |
| 459 | A | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56 | -49.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V40 L256 V276 I279 P455 R456 W462 I463 | V40-A459 HydrophobicContact CG1-CB 4.38Å; V40-A459 HydrophobicContact CG2-CB 4.28Å; L256-A459 HydrophobicContact CD1-CB 3.89Å; V276-A459 HydrophobicContact CB-CB 4.46Å; V276-A459 HydrophobicContact CG1-CB 4.16Å; I279-A459 HydrophobicContact CG2-CB 4.3Å; P455-A459 PolarHBondContact O-N 3.25Å; P455-A459 VanDerWaalsContact O-N 3.1Å; R456-A459 PolarHBondContact O-N 3.36Å; A459-W462 PolarHBondContact O-N 3.45Å; A459-I463 WeakPolarHBondContact O-CG1 3.36Å; A459-I463 PolarHBondContact O-N 3.16Å; A459-I463 VanDerWaalsContact O-N 3.08Å |
| 460 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 179.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | V40 T43 L44 R456 E458 W462 I463 E464 | V40-V460 HydrophobicContact CG1-CG2 3.98Å; T43-V460 HydrophobicContact CG2-CG2 3.84Å; L44-V460 HydrophobicContact CD2-CG1 3.73Å; L44-V460 HydrophobicContact CD2-CG2 4.49Å; L44-V460 HydrophobicContact CG-CG1 4.3Å; L44-V460 HydrophobicContact CG-CG2 4.28Å; R456-V460 VanDerWaalsContact O-CG2 3.32Å; R456-V460 WeakPolarHBondContact O-CG2 3.2Å; R456-V460 PolarHBondContact O-N 3.49Å; E458-V460 VanDerWaalsContact C-N 3.35Å; E458-V460 PolarHBondContact O-N 3.08Å; V460-W462 VanDerWaalsContact C-N 3.31Å; V460-W462 PolarHBondContact O-N 2.83Å; V460-I463 PolarHBondContact O-N 2.89Å; V460-E464 HydrophobicContact CG1-CG 4.34Å; V460-E464 WeakPolarHBondContact CG1-OE1 3.34Å; V460-E464 WeakPolarHBondContact O-CG 3.4Å; V460-E464 PolarHBondContact O-N 3.13Å |
| 461 | F | 98 | Very high | 96.9 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.2 | -45.1 | 176.8 | 169.4 | -92.9 | 0 | 0 | 0 | 111.9 | M453 D457 E458 E464 F465 | M453-F461 HydrophobicContact CE-CB 4Å; D457-F461 WeakPolarHBondContact O-CB 3.32Å; D457-F461 PolarHBondContact O-N 2.95Å; E458-F461 PolarHBondContact O-N 3.38Å; F461-E464 PolarHBondContact O-N 3.29Å; F461-F465 HydrophobicContact CE1-CB 4.45Å; F461-F465 HydrophobicContact CE1-CD2 4.48Å; F461-F465 HydrophobicContact CZ-CD2 4.35Å; F461-F465 VanDerWaalsContact O-CB 3.23Å; F461-F465 WeakPolarHBondContact O-CB 3.44Å; F461-F465 PolarHBondContact O-N 3.06Å |
| 462 | W | 98.4 | Very high | 97 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 13% | 0.129 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.1 | -31.1 | -179 | -75.5 | 109.7 | 0 | 0 | 0 | 113.2 | I254 L256 K274 E458 A459 V460 F465 T466 L475 | I254-W462 HydrophobicContact CD1-CD2 4.41Å; I254-W462 HydrophobicContact CD1-CE3 3.64Å; I254-W462 HydrophobicContact CD1-CZ3 4.1Å; I254-W462 HydrophobicContact CG1-CE3 4.28Å; I254-W462 HydrophobicContact CG2-CB 4.11Å; L256-W462 HydrophobicContact CD2-CB 3.98Å; L256-W462 HydrophobicContact CD2-CG 4.49Å; K274-W462 HydrophobicContact CB-CG 4.48Å; K274-W462 HydrophobicContact CD-CD2 4Å; K274-W462 HydrophobicContact CD-CG 4.39Å; K274-W462 HydrophobicContact CD-CH2 4.41Å; K274-W462 HydrophobicContact CD-CZ2 3.65Å; K274-W462 VanDerWaalsContact CE-CH2 3.42Å; K274-W462 HydrophobicContact CG-CD2 3.8Å; K274-W462 HydrophobicContact CG-CG 3.79Å; K274-W462 HydrophobicContact CG-CZ2 4.4Å; E458-W462 PolarHBondContact O-N 3.26Å; A459-W462 PolarHBondContact O-N 3.45Å; V460-W462 VanDerWaalsContact C-N 3.31Å; V460-W462 PolarHBondContact O-N 2.83Å; W462-F465 HydrophobicContact CE3-CB 4.12Å; W462-F465 AromaticContact CE3-CD1 3.79Å; W462-F465 HydrophobicContact CE3-CD1 3.79Å; W462-F465 HydrophobicContact CE3-CE1 4.37Å; W462-F465 AromaticContact CE3-CG 3.91Å; W462-F465 HydrophobicContact CE3-CG 3.91Å; W462-F465 AromaticContact CZ3-CD1 3.77Å; W462-F465 HydrophobicContact CZ3-CD1 3.77Å; W462-F465 HydrophobicContact CZ3-CD2 4.25Å; W462-F465 AromaticContact CZ3-CE1 3.92Å; W462-F465 HydrophobicContact CZ3-CE1 3.92Å; W462-F465 HydrophobicContact CZ3-CE2 4.37Å; W462-F465 AromaticContact CZ3-CG 3.95Å; W462-F465 HydrophobicContact CZ3-CG 3.95Å; W462-F465 HydrophobicContact CZ3-CZ 4.21Å; W462-F465 PolarHBondContact O-N 2.88Å; W462-T466 PolarHBondContact O-N 3.19Å; W462-T466 PolarHBondContact O-OG1 3.46Å; W462-L475 HydrophobicContact CH2-CD1 4.38Å; W462-L475 HydrophobicContact CZ3-CD1 3.81Å |
| 463 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -49.2 | 170.1 | -67.4 | 166.3 | 0 | 0 | 0 | 109.9 | I24 V40 L44 V146 F148 V168 L256 A459 V460 F465 T466 M467 | I24-I463 HydrophobicContact CD1-CG2 4.18Å; V40-I463 HydrophobicContact CG1-CD1 3.79Å; L44-I463 HydrophobicContact CD1-CD1 4.06Å; L44-I463 HydrophobicContact CD1-CG2 4.42Å; L44-I463 HydrophobicContact CD2-CG2 4.08Å; V146-I463 HydrophobicContact CG1-CG2 4.18Å; F148-I463 HydrophobicContact CD1-CD1 4.31Å; F148-I463 HydrophobicContact CD2-CD1 4.03Å; F148-I463 HydrophobicContact CD2-CG1 4.45Å; F148-I463 HydrophobicContact CE1-CD1 4.31Å; F148-I463 HydrophobicContact CE2-CD1 4.06Å; F148-I463 HydrophobicContact CG-CD1 4.17Å; F148-I463 HydrophobicContact CZ-CD1 4.19Å; V168-I463 HydrophobicContact CB-CG1 4.45Å; V168-I463 HydrophobicContact CG1-CG1 3.97Å; L256-I463 HydrophobicContact CD1-CD1 4.23Å; L256-I463 HydrophobicContact CD1-CG1 4.19Å; A459-I463 WeakPolarHBondContact O-CG1 3.36Å; A459-I463 PolarHBondContact O-N 3.16Å; A459-I463 VanDerWaalsContact O-N 3.08Å; V460-I463 PolarHBondContact O-N 2.89Å; I463-F465 VanDerWaalsContact C-N 3.32Å; I463-F465 PolarHBondContact O-N 3.22Å; I463-T466 PolarHBondContact O-N 2.75Å; I463-M467 HydrophobicContact CG2-CE 4.25Å; I463-M467 PolarHBondContact O-N 3.18Å; I463-M467 VanDerWaalsContact O-N 3.12Å |
| 464 | E | 98.2 | Very high | 96.9 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 176.2 | -63.2 | 170.8 | -170.6 | 0 | 0 | 113 | R47 H49 V460 F461 T466 M467 R468 | R47-E464 WeakPolarHBondContact CD-OE1 3.44Å; R47-E464 IonicContact CZ-OE1 3.96Å; R47-E464 IonicContact NE-OE1 3.79Å; R47-E464 IonicContact NH1-OE1 3.86Å; R47-E464 PolarHBondContact NH1-OE1 3.47Å; R47-E464 IonicContact NH1-OE2 3.04Å; H49-E464 IonicContact NE2-OE1 3.8Å; V460-E464 HydrophobicContact CG1-CG 4.34Å; V460-E464 WeakPolarHBondContact CG1-OE1 3.34Å; V460-E464 WeakPolarHBondContact O-CG 3.4Å; V460-E464 PolarHBondContact O-N 3.13Å; F461-E464 PolarHBondContact O-N 3.29Å; E464-T466 VanDerWaalsContact C-N 3.33Å; E464-M467 HydrophobicContact CB-CE 4.19Å; E464-M467 HydrophobicContact CG-CE 4.07Å; E464-M467 PolarHBondContact O-N 2.81Å; E464-R468 WeakPolarHBondContact O-CB 3.45Å; E464-R468 VanDerWaalsContact O-CG 3.31Å; E464-R468 WeakPolarHBondContact O-CG 3.31Å; E464-R468 PolarHBondContact O-N 2.82Å; E464-R468 IonicContact OE2-CZ 2.72Å; E464-R468 IonicContact OE2-NH1 2.9Å; E464-R468 PolarHBondContact OE2-NH1 2.95Å |
| 465 | F | 98.1 | Very high | 97 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.4 | 176.4 | -86.2 | 0 | 0 | 0 | 110.5 | F461 W462 I463 M467 R468 N469 A472 H474 L475 | F461-F465 HydrophobicContact CE1-CB 4.45Å; F461-F465 HydrophobicContact CE1-CD2 4.48Å; F461-F465 HydrophobicContact CZ-CD2 4.35Å; F461-F465 VanDerWaalsContact O-CB 3.23Å; F461-F465 WeakPolarHBondContact O-CB 3.44Å; F461-F465 PolarHBondContact O-N 3.06Å; W462-F465 HydrophobicContact CE3-CB 4.12Å; W462-F465 AromaticContact CE3-CD1 3.79Å; W462-F465 HydrophobicContact CE3-CD1 3.79Å; W462-F465 HydrophobicContact CE3-CE1 4.37Å; W462-F465 AromaticContact CE3-CG 3.91Å; W462-F465 HydrophobicContact CE3-CG 3.91Å; W462-F465 AromaticContact CZ3-CD1 3.77Å; W462-F465 HydrophobicContact CZ3-CD1 3.77Å; W462-F465 HydrophobicContact CZ3-CD2 4.25Å; W462-F465 AromaticContact CZ3-CE1 3.92Å; W462-F465 HydrophobicContact CZ3-CE1 3.92Å; W462-F465 HydrophobicContact CZ3-CE2 4.37Å; W462-F465 AromaticContact CZ3-CG 3.95Å; W462-F465 HydrophobicContact CZ3-CG 3.95Å; W462-F465 HydrophobicContact CZ3-CZ 4.21Å; W462-F465 PolarHBondContact O-N 2.88Å; I463-F465 VanDerWaalsContact C-N 3.32Å; I463-F465 PolarHBondContact O-N 3.22Å; F465-M467 VanDerWaalsContact C-N 3.34Å; F465-M467 PolarHBondContact O-N 3.07Å; F465-R468 PolarHBondContact O-N 3.32Å; F465-N469 WeakPolarHBondContact CE2-ND2 3.22Å; F465-N469 WeakPolarHBondContact O-CB 3.31Å; F465-N469 PolarHBondContact O-N 3.48Å; F465-N469 PolarHBondContact O-ND2 3.28Å; F465-A472 HydrophobicContact CE1-CB 4.26Å; F465-H474 AromaticContact CE1-CE1 3.87Å; F465-H474 AromaticContact CE1-NE2 3.93Å; F465-H474 AromaticContact CZ-CE1 3.67Å; F465-H474 AromaticContact CZ-NE2 3.46Å; F465-H474 WeakPolarHBondContact CZ-NE2 3.32Å; F465-L475 HydrophobicContact CE1-CD1 4.14Å |
| 466 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.7 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | V146 P166 V168 D253 I254 W462 I463 E464 N469 K470 G471 | V146-T466 HydrophobicContact CG2-CG2 4.12Å; P166-T466 HydrophobicContact CB-CG2 3.37Å; P166-T466 HydrophobicContact CG-CG2 4.29Å; V168-T466 HydrophobicContact CG2-CG2 3.88Å; D253-T466 HydrophobicContact CB-CG2 3.89Å; I254-T466 WeakPolarHBondContact CG1-OG1 3.28Å; W462-T466 PolarHBondContact O-N 3.19Å; W462-T466 PolarHBondContact O-OG1 3.46Å; I463-T466 PolarHBondContact O-N 2.75Å; E464-T466 VanDerWaalsContact C-N 3.33Å; T466-N469 PolarHBondContact O-N 3.5Å; T466-K470 PolarHBondContact O-N 2.96Å; T466-G471 PolarHBondContact O-N 3.01Å |
| 467 | M | 97.2 | Very high | 96.7 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 175.5 | -69 | -173.9 | -66.9 | 0 | 0 | 111.9 | I24 H49 D145 V146 I463 E464 F465 N469 K470 | I24-M467 HydrophobicContact CD1-CE 4.14Å; I24-M467 HydrophobicContact CD1-SD 4.23Å; I24-M467 HydrophobicContact CG1-CE 4.46Å; I24-M467 HydrophobicContact CG1-SD 3.9Å; H49-M467 WeakPolarHBondContact CE1-CE 3.14Å; D145-M467 HydrophobicContact CB-CB 4.44Å; D145-M467 HydrophobicContact CB-CG 3.96Å; D145-M467 HydrophobicContact CB-SD 4.03Å; V146-M467 HydrophobicContact CB-CG 3.75Å; V146-M467 HydrophobicContact CG1-CG 3.47Å; V146-M467 VanDerWaalsContact CG1-CG 3.47Å; V146-M467 HydrophobicContact CG1-SD 3.65Å; I463-M467 HydrophobicContact CG2-CE 4.25Å; I463-M467 PolarHBondContact O-N 3.18Å; I463-M467 VanDerWaalsContact O-N 3.12Å; E464-M467 HydrophobicContact CB-CE 4.19Å; E464-M467 HydrophobicContact CG-CE 4.07Å; E464-M467 PolarHBondContact O-N 2.81Å; F465-M467 VanDerWaalsContact C-N 3.34Å; F465-M467 PolarHBondContact O-N 3.07Å; M467-N469 PolarHBondContact O-N 2.86Å; M467-K470 PolarHBondContact O-N 3.09Å |
| 468 | R | 96.4 | Very high | 96.5 | Very high | 139 Ų | 139 | 58.4 Ų | 58.4 | 53% | 0.525 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.8 | -33.7 | -177.9 | -73.8 | -174.6 | -62.3 | -100.9 | -3.1 | 112.9 | E464 F465 | E464-R468 WeakPolarHBondContact O-CB 3.45Å; E464-R468 VanDerWaalsContact O-CG 3.31Å; E464-R468 WeakPolarHBondContact O-CG 3.31Å; E464-R468 PolarHBondContact O-N 2.82Å; E464-R468 IonicContact OE2-CZ 2.72Å; E464-R468 IonicContact OE2-NH1 2.9Å; E464-R468 PolarHBondContact OE2-NH1 2.95Å; F465-R468 PolarHBondContact O-N 3.32Å |
| 469 | N | 96.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -99.5 | 3.2 | -176.3 | -66.7 | -79.8 | 0 | 0 | 0 | 113.7 | F465 T466 M467 G471 | F465-N469 WeakPolarHBondContact CE2-ND2 3.22Å; F465-N469 WeakPolarHBondContact O-CB 3.31Å; F465-N469 PolarHBondContact O-N 3.48Å; F465-N469 PolarHBondContact O-ND2 3.28Å; T466-N469 PolarHBondContact O-N 3.5Å; M467-N469 PolarHBondContact O-N 2.86Å; N469-G471 VanDerWaalsContact C-N 3.27Å; N469-G471 VanDerWaalsContact CB-O 3.27Å; N469-G471 WeakPolarHBondContact CB-O 3.4Å; N469-G471 PolarHBondContact O-N 3.38Å |
| 470 | K | 95.3 | Very high | 96 | Very high | 190 Ų | 190 | 57.9 Ų | 57.9 | 83% | 0.826 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46.4 | -175.9 | -55.7 | -176.6 | 178.3 | -175.2 | 0 | 111.9 | T466 M467 | T466-K470 PolarHBondContact O-N 2.96Å; M467-K470 PolarHBondContact O-N 3.09Å |
| 471 | G | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 111.3 | -174.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D253 T466 N469 | D253-G471 WeakPolarHBondContact OD1-CA 3.42Å; T466-G471 PolarHBondContact O-N 3.01Å; N469-G471 VanDerWaalsContact C-N 3.27Å; N469-G471 VanDerWaalsContact CB-O 3.27Å; N469-G471 WeakPolarHBondContact CB-O 3.4Å; N469-G471 PolarHBondContact O-N 3.38Å |
| 472 | A | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | trans | -137.8 | 32.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D253 I254 F465 H474 L475 | D253-A472 HydrophobicContact CB-CB 3.88Å; D253-A472 PolarHBondContact OD1-N 3.21Å; I254-A472 HydrophobicContact CD1-CB 4.11Å; I254-A472 HydrophobicContact CG1-CB 4.32Å; F465-A472 HydrophobicContact CE1-CB 4.26Å; A472-H474 PolarHBondContact O-N 3.33Å; A472-L475 HydrophobicContact CB-CD1 4.17Å; A472-L475 HydrophobicContact CB-CG 4.46Å; A472-L475 WeakPolarHBondContact O-CB 3.49Å; A472-L475 PolarHBondContact O-N 3Å | ||
| 473 | K | 93.9 | Very high | 95.4 | Very high | 181 Ų | 181 | 64 Ų | 64 | 79% | 0.787 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -52.6 | -30.4 | -177.6 | -67.4 | -175.9 | 179.9 | 178.4 | 0 | 114.5 | L475 R476 | K473-L475 PolarHBondContact O-N 2.78Å; K473-R476 VanDerWaalsContact O-CB 3.24Å; K473-R476 WeakPolarHBondContact O-CB 3.48Å; K473-R476 PolarHBondContact O-N 2.89Å; K473-R476 VanDerWaalsContact O-N 3.17Å |
| 474 | H | 94.9 | Very high | 95 | Very high | 125 Ų | 125 | 72.6 Ų | 72.6 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -71.3 | -12.2 | 177.9 | 62.1 | -87.1 | 0 | 0 | 0 | 114 | F465 A472 | F465-H474 AromaticContact CE1-CE1 3.87Å; F465-H474 AromaticContact CE1-NE2 3.93Å; F465-H474 AromaticContact CZ-CE1 3.67Å; F465-H474 AromaticContact CZ-NE2 3.46Å; F465-H474 WeakPolarHBondContact CZ-NE2 3.32Å; A472-H474 PolarHBondContact O-N 3.33Å |
| 475 | L | 96.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 76 Ų | 76 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -94.4 | -5.3 | 173 | -58 | -177.4 | 0 | 0 | 0 | 112.6 | I254 P271 N272 W462 F465 A472 K473 | I254-L475 HydrophobicContact CD1-CD1 3.91Å; P271-L475 HydrophobicContact CB-CB 4.19Å; P271-L475 HydrophobicContact CB-CD2 4.02Å; N272-L475 HydrophobicContact CB-CB 3.88Å; W462-L475 HydrophobicContact CH2-CD1 4.38Å; W462-L475 HydrophobicContact CZ3-CD1 3.81Å; F465-L475 HydrophobicContact CE1-CD1 4.14Å; A472-L475 HydrophobicContact CB-CD1 4.17Å; A472-L475 HydrophobicContact CB-CG 4.46Å; A472-L475 WeakPolarHBondContact O-CB 3.49Å; A472-L475 PolarHBondContact O-N 3Å; K473-L475 PolarHBondContact O-N 2.78Å |
| 476 | R | 92.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 78.1 Ų | 78.1 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | trans | -74.8 | 134.2 | 179 | -177 | 172.7 | 162 | 158.1 | -15.2 | 110.1 | R250 N251 K473 H480 E481 | R250-R476 PolarHBondContact O-NH1 3.14Å; N251-R476 PolarHBondContact OD1-NH1 3.04Å; N251-R476 VanDerWaalsContact OD1-NH1 3.09Å; K473-R476 VanDerWaalsContact O-CB 3.24Å; K473-R476 WeakPolarHBondContact O-CB 3.48Å; K473-R476 PolarHBondContact O-N 2.89Å; K473-R476 VanDerWaalsContact O-N 3.17Å; R476-H480 WeakPolarHBondContact CG-CD2 3.46Å; R476-E481 IonicContact CZ-OE1 3.96Å; R476-E481 IonicContact NE-OE1 2.87Å; R476-E481 IonicContact NH2-OE1 2.66Å; R476-E481 PolarHBondContact NH2-OE1 3.22Å | ||
| 477 | V | 93.7 | Very high | 94.6 | Very high | 35 Ų | 35 | 82.4 Ų | 82.4 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | trans | -78.7 | 152 | 178.3 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | Q185 L270 A479 H480 | Q185-V477 HydrophobicContact CB-CG2 3.97Å; L270-V477 HydrophobicContact CD1-CG1 4.03Å; L270-V477 HydrophobicContact CD1-CG2 3.75Å; L270-V477 HydrophobicContact CD2-CG1 3.53Å; L270-V477 HydrophobicContact CG-CG1 4.24Å; V477-A479 HydrophobicContact CG2-CB 3.92Å; V477-A479 PolarHBondContact O-N 3.23Å; V477-A479 VanDerWaalsContact O-N 3.15Å; V477-H480 PolarHBondContact O-CD2 3.37Å; V477-H480 VanDerWaalsContact O-CD2 3.3Å; V477-H480 PolarHBondContact O-N 2.91Å | ||
| 478 | Q | 93.7 | Very high | 94.4 | Very high | 131 Ų | 131 | 86.7 Ų | 86.7 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -63.4 | -19.4 | 176.8 | -170.3 | 60.7 | 24.9 | 0 | 0 | 113.3 | H480 E481 | Q478-H480 PolarHBondContact O-N 2.97Å; Q478-E481 PolarHBondContact O-N 2.85Å |
| 479 | A | 93.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 83 Ų | 83 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -53.4 | -28.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q185 V477 E481 L482 Y487 | Q185-A479 HydrophobicContact CB-CB 4.06Å; Q185-A479 HydrophobicContact CG-CB 4.13Å; V477-A479 HydrophobicContact CG2-CB 3.92Å; V477-A479 PolarHBondContact O-N 3.23Å; V477-A479 VanDerWaalsContact O-N 3.15Å; A479-E481 PolarHBondContact O-N 2.79Å; A479-L482 PolarHBondContact O-N 3.35Å; A479-Y487 HydrophobicContact CB-CD2 3.83Å; A479-Y487 HydrophobicContact CB-CE2 3.66Å |
| 480 | H | 91.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 82.3 Ų | 82.3 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -65.3 | -21.6 | 176.8 | -67.7 | -78.3 | 0 | 0 | 0 | 114.5 | C183 Q185 R476 V477 Q478 | C183-H480 PolarHBondContact O-CE1 3.48Å; Q185-H480 WeakPolarHBondContact CG-CE1 3.47Å; Q185-H480 WeakPolarHBondContact CG-ND1 3.3Å; R476-H480 WeakPolarHBondContact CG-CD2 3.46Å; V477-H480 PolarHBondContact O-CD2 3.37Å; V477-H480 VanDerWaalsContact O-CD2 3.3Å; V477-H480 PolarHBondContact O-N 2.91Å; Q478-H480 PolarHBondContact O-N 2.97Å |
| 481 | E | 92.8 | Very high | 94.6 | Very high | 117 Ų | 117 | 76.5 Ų | 76.5 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -105.5 | -2.8 | -175.6 | -50.7 | -52.3 | 137 | 0 | 0 | 112.7 | R476 Q478 A479 | R476-E481 IonicContact CZ-OE1 3.96Å; R476-E481 IonicContact NE-OE1 2.87Å; R476-E481 IonicContact NH2-OE1 2.66Å; R476-E481 PolarHBondContact NH2-OE1 3.22Å; Q478-E481 PolarHBondContact O-N 2.85Å; A479-E481 PolarHBondContact O-N 2.79Å |
| 482 | L | 93.7 | Very high | 94.7 | Very high | 70 Ų | 70 | 79.9 Ų | 79.9 | 37% | 0.366 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -89.7 | 146.9 | 178.7 | -62.3 | 179.8 | 0 | 0 | 0 | 111.1 | A479 Q486 | A479-L482 PolarHBondContact O-N 3.35Å; L482-Q486 HydrophobicContact CB-CB 4.24Å; L482-Q486 HydrophobicContact CD2-CB 4.35Å |
| 483 | T | 94.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 84.8 Ų | 84.8 | 30% | 0.301 | 41% | 0.405 | S | S | . | . | trans | -71.1 | 159.2 | 164.4 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | Y485 Q486 Y487 | T483-Y485 HydrophobicContact CG2-CE1 4.07Å; T483-Y485 PolarHBondContact O-N 3.02Å; T483-Y485 WeakPolarHBondContact OG1-CD1 3.32Å; T483-Y485 WeakPolarHBondContact OG1-CD2 3.24Å; T483-Y485 VanDerWaalsContact OG1-CE1 3.25Å; T483-Y485 WeakPolarHBondContact OG1-CE1 3.45Å; T483-Y485 WeakPolarHBondContact OG1-CE2 3.25Å; T483-Q486 VanDerWaalsContact N-OE1 3.12Å; T483-Q486 PolarHBondContact O-N 2.91Å; T483-Q486 VanDerWaalsContact O-N 3.13Å; T483-Q486 WeakPolarHBondContact OG1-CB 3.28Å; T483-Q486 VanDerWaalsContact OG1-CG 3.29Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.49Å; T483-Q486 PolarHBondContact OG1-N 3.28Å; T483-Q486 PolarHBondContact OG1-OE1 3.12Å; T483-Q486 VanDerWaalsContact OG1-OE1 3.07Å; T483-Y487 WeakPolarHBondContact O-CB 3.41Å; T483-Y487 PolarHBondContact O-N 3.36Å | ||
| 484 | W | 91.9 | Very high | 94.9 | Very high | 181 Ų | 181 | 78.4 Ų | 78.4 | 69% | 0.686 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.1 | -35 | -177.6 | 69.7 | -92.5 | 0 | 0 | 0 | 112.9 | H488 L490 | W484-H488 PolarHBondContact O-CD2 3.38Å; W484-H488 PolarHBondContact O-N 2.89Å; W484-L490 HydrophobicContact CE3-CD1 3.99Å; W484-L490 HydrophobicContact CH2-CD1 4.02Å; W484-L490 HydrophobicContact CZ3-CD1 3.29Å |
| 485 | Y | 94.4 | Very high | 95.1 | Very high | 98 Ų | 98 | 78.5 Ų | 78.5 | 38% | 0.384 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -77.2 | -34.1 | 178.8 | 57 | -97.1 | 0 | 0 | 0 | 112.3 | T483 H488 S489 L490 D491 | T483-Y485 HydrophobicContact CG2-CE1 4.07Å; T483-Y485 PolarHBondContact O-N 3.02Å; T483-Y485 WeakPolarHBondContact OG1-CD1 3.32Å; T483-Y485 WeakPolarHBondContact OG1-CD2 3.24Å; T483-Y485 VanDerWaalsContact OG1-CE1 3.25Å; T483-Y485 WeakPolarHBondContact OG1-CE1 3.45Å; T483-Y485 WeakPolarHBondContact OG1-CE2 3.25Å; Y485-H488 CarbonylContact O-C 3.52Å; Y485-H488 PolarHBondContact O-N 3.42Å; Y485-S489 PolarHBondContact O-N 2.79Å; Y485-L490 PolarHBondContact O-N 3.25Å; Y485-D491 HydrophobicContact CD2-CB 4.26Å |
| 486 | Q | 96.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 81.3 Ų | 81.3 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 172.1 | -75.1 | 171.8 | -37 | 0 | 0 | 111.4 | L482 T483 H488 S489 | L482-Q486 HydrophobicContact CB-CB 4.24Å; L482-Q486 HydrophobicContact CD2-CB 4.35Å; T483-Q486 VanDerWaalsContact N-OE1 3.12Å; T483-Q486 PolarHBondContact O-N 2.91Å; T483-Q486 VanDerWaalsContact O-N 3.13Å; T483-Q486 WeakPolarHBondContact OG1-CB 3.28Å; T483-Q486 VanDerWaalsContact OG1-CG 3.29Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.49Å; T483-Q486 PolarHBondContact OG1-N 3.28Å; T483-Q486 PolarHBondContact OG1-OE1 3.12Å; T483-Q486 VanDerWaalsContact OG1-OE1 3.07Å; Q486-H488 PolarHBondContact O-N 2.91Å; Q486-S489 PolarHBondContact O-N 2.76Å |
| 487 | Y | 93.6 | Very high | 95.5 | Very high | 91 Ų | 91 | 82.5 Ų | 82.5 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.2 | -38.8 | 177.2 | 178 | -96.1 | 0 | 0 | 0 | 112 | A479 T483 | A479-Y487 HydrophobicContact CB-CD2 3.83Å; A479-Y487 HydrophobicContact CB-CE2 3.66Å; T483-Y487 WeakPolarHBondContact O-CB 3.41Å; T483-Y487 PolarHBondContact O-N 3.36Å |
| 488 | H | 94 | Very high | 95.7 | Very high | 115 Ų | 115 | 85.5 Ų | 85.5 | 53% | 0.532 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.5 | 176.1 | -68 | -59.3 | 0 | 0 | 0 | 114.2 | W484 Y485 Q486 L490 | W484-H488 PolarHBondContact O-CD2 3.38Å; W484-H488 PolarHBondContact O-N 2.89Å; Y485-H488 CarbonylContact O-C 3.52Å; Y485-H488 PolarHBondContact O-N 3.42Å; Q486-H488 PolarHBondContact O-N 2.91Å; H488-L490 HydrophobicContact CB-CD1 4.31Å; H488-L490 HydrophobicContact CB-CD2 4.11Å; H488-L490 HydrophobicContact CB-CG 3.81Å; H488-L490 PolarHBondContact O-N 3.47Å; H488-L490 VanDerWaalsContact O-N 3.15Å |
| 489 | S | 97.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 82.4 Ų | 82.4 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 31.1 | -177.8 | -56.4 | 0 | 0 | 0 | 0 | 114.2 | Y485 Q486 D491 V492 L493 | Y485-S489 PolarHBondContact O-N 2.79Å; Q486-S489 PolarHBondContact O-N 2.76Å; S489-D491 VanDerWaalsContact C-N 3.3Å; S489-D491 PolarHBondContact O-N 3.46Å; S489-V492 PolarHBondContact O-N 2.81Å; S489-L493 WeakPolarHBondContact O-CG 3.26Å; S489-L493 PolarHBondContact O-N 2.98Å |
| 490 | L | 97.6 | Very high | 96.1 | Very high | 68 Ų | 68 | 85.8 Ų | 85.8 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.9 | -29.6 | -178 | -58.6 | -179.2 | 0 | 0 | 0 | 112.2 | W484 Y485 H488 L493 A494 | W484-L490 HydrophobicContact CE3-CD1 3.99Å; W484-L490 HydrophobicContact CH2-CD1 4.02Å; W484-L490 HydrophobicContact CZ3-CD1 3.29Å; Y485-L490 PolarHBondContact O-N 3.25Å; H488-L490 HydrophobicContact CB-CD1 4.31Å; H488-L490 HydrophobicContact CB-CD2 4.11Å; H488-L490 HydrophobicContact CB-CG 3.81Å; H488-L490 PolarHBondContact O-N 3.47Å; H488-L490 VanDerWaalsContact O-N 3.15Å; L490-L493 HydrophobicContact CD2-CD1 4.27Å; L490-A494 WeakPolarHBondContact O-CB 3.15Å; L490-A494 PolarHBondContact O-N 3.04Å |
| 491 | D | 97.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 90 Ų | 90 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 170.8 | 53.8 | -12.7 | 0 | 0 | 0 | 111.8 | Y485 S489 A494 F495 | Y485-D491 HydrophobicContact CD2-CB 4.26Å; S489-D491 VanDerWaalsContact C-N 3.3Å; S489-D491 PolarHBondContact O-N 3.46Å; D491-A494 PolarHBondContact O-N 3.04Å; D491-F495 WeakPolarHBondContact O-CB 3.34Å; D491-F495 PolarHBondContact O-N 3.39Å |
| 492 | V | 98.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 89 Ų | 89 | 46% | 0.461 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 111 | S489 A494 F495 L496 | S489-V492 PolarHBondContact O-N 2.81Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 3.2Å; V492-F495 WeakPolarHBondContact O-CB 3.38Å; V492-F495 PolarHBondContact O-N 3.23Å; V492-L496 HydrophobicContact CG1-CD1 4.27Å; V492-L496 WeakPolarHBondContact O-CG 3.32Å; V492-L496 PolarHBondContact O-N 3.18Å |
| 493 | L | 98.1 | Very high | 96.8 | Very high | 104 Ų | 104 | 90.1 Ų | 90.1 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177.7 | -69.9 | 175.6 | 0 | 0 | 0 | 111.9 | S489 L490 L496 L497 | S489-L493 WeakPolarHBondContact O-CG 3.26Å; S489-L493 PolarHBondContact O-N 2.98Å; L490-L493 HydrophobicContact CD2-CD1 4.27Å; L493-L496 PolarHBondContact O-N 3.38Å; L493-L497 WeakPolarHBondContact O-CB 3.15Å; L493-L497 PolarHBondContact O-N 2.82Å |
| 494 | A | 97.9 | Very high | 97 | Very high | 48 Ų | 48 | 93 Ų | 93 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L490 D491 V492 L497 I498 | L490-A494 WeakPolarHBondContact O-CB 3.15Å; L490-A494 PolarHBondContact O-N 3.04Å; D491-A494 PolarHBondContact O-N 3.04Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 3.2Å; A494-L497 PolarHBondContact O-N 2.91Å; A494-I498 WeakPolarHBondContact O-CD1 3.3Å; A494-I498 VanDerWaalsContact O-CG1 3.25Å; A494-I498 WeakPolarHBondContact O-CG1 3.43Å; A494-I498 PolarHBondContact O-N 3.14Å |
| 495 | F | 98.3 | Very high | 97.2 | Very high | 127 Ų | 127 | 89.8 Ų | 89.8 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.1 | -46.3 | 175.8 | 175.6 | -104.7 | 0 | 0 | 0 | 112.4 | D491 V492 I498 I499 | D491-F495 WeakPolarHBondContact O-CB 3.34Å; D491-F495 PolarHBondContact O-N 3.39Å; V492-F495 WeakPolarHBondContact O-CB 3.38Å; V492-F495 PolarHBondContact O-N 3.23Å; F495-I498 PolarHBondContact O-N 3.15Å; F495-I499 HydrophobicContact CD1-CD1 3.98Å; F495-I499 HydrophobicContact CE1-CD1 3.41Å; F495-I499 VanDerWaalsContact CE1-CD1 3.41Å; F495-I499 HydrophobicContact CE2-CD1 4.23Å; F495-I499 HydrophobicContact CZ-CD1 3.56Å; F495-I499 HydrophobicContact CZ-CG1 4.41Å; F495-I499 PolarHBondContact O-N 3.15Å; F495-I499 VanDerWaalsContact O-N 3.14Å |
| 496 | L | 98.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 89.5 Ų | 89.5 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.6 | -67.8 | 175.4 | 0 | 0 | 0 | 111.8 | V492 L493 I498 I499 D500 | V492-L496 HydrophobicContact CG1-CD1 4.27Å; V492-L496 WeakPolarHBondContact O-CG 3.32Å; V492-L496 PolarHBondContact O-N 3.18Å; L493-L496 PolarHBondContact O-N 3.38Å; L496-I498 VanDerWaalsContact C-N 3.3Å; L496-I498 PolarHBondContact O-N 3.49Å; L496-I499 WeakPolarHBondContact O-CB 3.28Å; L496-I499 PolarHBondContact O-N 3.31Å; L496-I499 VanDerWaalsContact O-N 3.13Å; L496-D500 PolarHBondContact O-N 3.4Å |
| 497 | L | 98 | Very high | 97.4 | Very high | 103 Ų | 103 | 91.3 Ų | 91.3 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.6 | -178.9 | 64 | 0 | 0 | 0 | 112 | L493 A494 I499 D500 L501 | L493-L497 WeakPolarHBondContact O-CB 3.15Å; L493-L497 PolarHBondContact O-N 2.82Å; A494-L497 PolarHBondContact O-N 2.91Å; L497-I499 VanDerWaalsContact C-N 3.35Å; L497-D500 PolarHBondContact O-N 2.92Å; L497-L501 HydrophobicContact CD1-CD1 4.37Å; L497-L501 HydrophobicContact CD1-CG 4.31Å; L497-L501 HydrophobicContact CG-CD1 4.08Å; L497-L501 HydrophobicContact CG-CG 4.44Å; L497-L501 WeakPolarHBondContact O-CB 3.18Å; L497-L501 VanDerWaalsContact O-CG 3.23Å; L497-L501 WeakPolarHBondContact O-CG 3.29Å; L497-L501 PolarHBondContact O-N 3.38Å |
| 498 | I | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 93.4 Ų | 93.4 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.7 | -70.5 | 163.4 | 0 | 0 | 0 | 110.6 | A494 F495 L496 L501 L502 | A494-I498 WeakPolarHBondContact O-CD1 3.3Å; A494-I498 VanDerWaalsContact O-CG1 3.25Å; A494-I498 WeakPolarHBondContact O-CG1 3.43Å; A494-I498 PolarHBondContact O-N 3.14Å; F495-I498 PolarHBondContact O-N 3.15Å; L496-I498 VanDerWaalsContact C-N 3.3Å; L496-I498 PolarHBondContact O-N 3.49Å; I498-L501 PolarHBondContact O-N 3.06Å; I498-L502 HydrophobicContact CG2-CD1 3.96Å; I498-L502 HydrophobicContact CG2-CG 4.42Å; I498-L502 WeakPolarHBondContact O-CB 3.39Å; I498-L502 VanDerWaalsContact O-CG 3.24Å; I498-L502 WeakPolarHBondContact O-CG 3.22Å; I498-L502 PolarHBondContact O-N 2.91Å |
| 499 | I | 98.3 | Very high | 97.5 | Very high | 66 Ų | 66 | 93.2 Ų | 93.2 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 176.4 | -69.4 | 170 | 0 | 0 | 0 | 110.7 | F495 L496 L497 L501 L502 L503 | F495-I499 HydrophobicContact CD1-CD1 3.98Å; F495-I499 HydrophobicContact CE1-CD1 3.41Å; F495-I499 VanDerWaalsContact CE1-CD1 3.41Å; F495-I499 HydrophobicContact CE2-CD1 4.23Å; F495-I499 HydrophobicContact CZ-CD1 3.56Å; F495-I499 HydrophobicContact CZ-CG1 4.41Å; F495-I499 PolarHBondContact O-N 3.15Å; F495-I499 VanDerWaalsContact O-N 3.14Å; L496-I499 WeakPolarHBondContact O-CB 3.28Å; L496-I499 PolarHBondContact O-N 3.31Å; L496-I499 VanDerWaalsContact O-N 3.13Å; L497-I499 VanDerWaalsContact C-N 3.35Å; I499-L501 PolarHBondContact O-N 2.89Å; I499-L502 WeakPolarHBondContact O-CB 3.33Å; I499-L502 PolarHBondContact O-N 2.93Å; I499-L503 HydrophobicContact CG2-CD1 4.02Å; I499-L503 HydrophobicContact CG2-CG 4.36Å; I499-L503 WeakPolarHBondContact O-CG 3.23Å; I499-L503 PolarHBondContact O-N 3.43Å |
| 500 | D | 97.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | -179.5 | -72.3 | -23 | 0 | 0 | 0 | 111.7 | L496 L497 L502 L503 I504 | L496-D500 PolarHBondContact O-N 3.4Å; L497-D500 PolarHBondContact O-N 2.92Å; D500-L502 VanDerWaalsContact C-N 3.34Å; D500-L502 PolarHBondContact O-N 3.24Å; D500-L503 PolarHBondContact O-N 3.4Å; D500-I504 VanDerWaalsContact O-CG1 3.28Å; D500-I504 WeakPolarHBondContact O-CG1 3.41Å; D500-I504 PolarHBondContact O-N 3.09Å |
| 501 | L | 98 | Very high | 97 | Very high | 100 Ų | 100 | 93.1 Ų | 93.1 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176 | -70.3 | 174 | 0 | 0 | 0 | 112.1 | L497 I498 I499 F505 | L497-L501 HydrophobicContact CD1-CD1 4.37Å; L497-L501 HydrophobicContact CD1-CG 4.31Å; L497-L501 HydrophobicContact CG-CD1 4.08Å; L497-L501 HydrophobicContact CG-CG 4.44Å; L497-L501 WeakPolarHBondContact O-CB 3.18Å; L497-L501 VanDerWaalsContact O-CG 3.23Å; L497-L501 WeakPolarHBondContact O-CG 3.29Å; L497-L501 PolarHBondContact O-N 3.38Å; I498-L501 PolarHBondContact O-N 3.06Å; I499-L501 PolarHBondContact O-N 2.89Å; L501-F505 VanDerWaalsContact O-CB 3.28Å; L501-F505 WeakPolarHBondContact O-CB 3.24Å; L501-F505 PolarHBondContact O-N 3.45Å |
| 502 | L | 97.9 | Very high | 96.5 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.9 | -73.8 | 171.2 | 0 | 0 | 0 | 111.7 | I498 I499 D500 F505 I506 | I498-L502 HydrophobicContact CG2-CD1 3.96Å; I498-L502 HydrophobicContact CG2-CG 4.42Å; I498-L502 WeakPolarHBondContact O-CB 3.39Å; I498-L502 VanDerWaalsContact O-CG 3.24Å; I498-L502 WeakPolarHBondContact O-CG 3.22Å; I498-L502 PolarHBondContact O-N 2.91Å; I499-L502 WeakPolarHBondContact O-CB 3.33Å; I499-L502 PolarHBondContact O-N 2.93Å; D500-L502 VanDerWaalsContact C-N 3.34Å; D500-L502 PolarHBondContact O-N 3.24Å; L502-F505 PolarHBondContact O-N 2.95Å; L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.37Å; L502-I506 PolarHBondContact O-N 3.35Å |
| 503 | L | 97.4 | Very high | 96 | Very high | 92 Ų | 92 | 94.2 Ų | 94.2 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.4 | -70.3 | 174.8 | 0 | 0 | 0 | 111.5 | I499 D500 F505 I506 L507 | I499-L503 HydrophobicContact CG2-CD1 4.02Å; I499-L503 HydrophobicContact CG2-CG 4.36Å; I499-L503 WeakPolarHBondContact O-CG 3.23Å; I499-L503 PolarHBondContact O-N 3.43Å; D500-L503 PolarHBondContact O-N 3.4Å; L503-F505 VanDerWaalsContact C-N 3.3Å; L503-F505 PolarHBondContact O-N 2.84Å; L503-I506 PolarHBondContact O-N 2.86Å; L503-L507 WeakPolarHBondContact O-CB 3.23Å; L503-L507 VanDerWaalsContact O-CG 3.29Å; L503-L507 WeakPolarHBondContact O-CG 3.47Å; L503-L507 PolarHBondContact O-N 3.38Å |
| 504 | I | 97.4 | Very high | 95.4 | Very high | 109 Ų | 109 | 92.6 Ų | 92.6 | 56% | 0.559 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | 174.7 | -68.7 | 166.3 | 0 | 0 | 0 | 110.4 | D500 L507 F508 | D500-I504 VanDerWaalsContact O-CG1 3.28Å; D500-I504 WeakPolarHBondContact O-CG1 3.41Å; D500-I504 PolarHBondContact O-N 3.09Å; I504-L507 PolarHBondContact O-N 3Å; I504-F508 VanDerWaalsContact O-CB 3.28Å; I504-F508 WeakPolarHBondContact O-CB 3.12Å; I504-F508 PolarHBondContact O-N 3.26Å |
| 505 | F | 97.2 | Very high | 94.6 | Very high | 114 Ų | 114 | 96 Ų | 96 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.5 | 177.6 | -97.1 | 0 | 0 | 0 | 112.2 | L501 L502 L503 F508 K509 | L501-F505 VanDerWaalsContact O-CB 3.28Å; L501-F505 WeakPolarHBondContact O-CB 3.24Å; L501-F505 PolarHBondContact O-N 3.45Å; L502-F505 PolarHBondContact O-N 2.95Å; L503-F505 VanDerWaalsContact C-N 3.3Å; L503-F505 PolarHBondContact O-N 2.84Å; F505-F508 PolarHBondContact O-N 3.15Å; F505-K509 HydrophobicContact CD1-CG 4.23Å; F505-K509 HydrophobicContact CD2-CG 4.47Å; F505-K509 HydrophobicContact CE1-CG 3.87Å; F505-K509 HydrophobicContact CE2-CD 4.47Å; F505-K509 VanDerWaalsContact CE2-CE 3.45Å; F505-K509 HydrophobicContact CE2-CG 4.15Å; F505-K509 HydrophobicContact CZ-CD 4.23Å; F505-K509 HydrophobicContact CZ-CG 3.85Å; F505-K509 WeakPolarHBondContact O-CB 3.48Å; F505-K509 VanDerWaalsContact O-CG 3.31Å; F505-K509 WeakPolarHBondContact O-CG 3.42Å; F505-K509 PolarHBondContact O-N 3.38Å |
| 506 | I | 96.8 | Very high | 93.7 | Very high | 93 Ų | 93 | 97.2 Ų | 97.2 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.2 | -69.3 | 166.6 | 0 | 0 | 0 | 109.9 | L502 L503 F508 K509 S510 | L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.37Å; L502-I506 PolarHBondContact O-N 3.35Å; L503-I506 PolarHBondContact O-N 2.86Å; I506-F508 PolarHBondContact O-N 3.46Å; I506-K509 PolarHBondContact O-N 2.91Å; I506-S510 VanDerWaalsContact O-CB 3.3Å; I506-S510 WeakPolarHBondContact O-CB 3.3Å; I506-S510 PolarHBondContact O-N 3.44Å; I506-S510 PolarHBondContact O-OG 3.43Å |
| 507 | L | 96.3 | Very high | 92.7 | Very high | 113 Ų | 113 | 101.6 Ų | 101.6 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -47.7 | 177.1 | -73.8 | 170.4 | 0 | 0 | 0 | 111.2 | L503 I504 K509 S510 C511 | L503-L507 WeakPolarHBondContact O-CB 3.23Å; L503-L507 VanDerWaalsContact O-CG 3.29Å; L503-L507 WeakPolarHBondContact O-CG 3.47Å; L503-L507 PolarHBondContact O-N 3.38Å; I504-L507 PolarHBondContact O-N 3Å; L507-K509 PolarHBondContact O-N 3.4Å; L507-S510 PolarHBondContact O-N 3.49Å; L507-C511 WeakPolarHBondContact O-CB 3.48Å; L507-C511 PolarHBondContact O-N 3.08Å; L507-C511 PolarHBondContact O-SG 3.09Å |
| 508 | F | 96.1 | Very high | 91.6 | Very high | 135 Ų | 135 | 101.5 Ų | 101.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 177.2 | 179.2 | -97.9 | 0 | 0 | 0 | 112.2 | I504 F505 I506 S512 | I504-F508 VanDerWaalsContact O-CB 3.28Å; I504-F508 WeakPolarHBondContact O-CB 3.12Å; I504-F508 PolarHBondContact O-N 3.26Å; F505-F508 PolarHBondContact O-N 3.15Å; I506-F508 PolarHBondContact O-N 3.46Å; F508-S512 WeakPolarHBondContact O-CB 3.34Å; F508-S512 PolarHBondContact O-N 3.29Å |
| 509 | K | 94.9 | Very high | 89.8 | Confident | 111 Ų | 111 | 107 Ų | 107 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.4 | -74 | -67.6 | -175.7 | 179.8 | 0 | 111.9 | F505 I506 L507 S512 F513 | F505-K509 HydrophobicContact CD1-CG 4.23Å; F505-K509 HydrophobicContact CD2-CG 4.47Å; F505-K509 HydrophobicContact CE1-CG 3.87Å; F505-K509 HydrophobicContact CE2-CD 4.47Å; F505-K509 VanDerWaalsContact CE2-CE 3.45Å; F505-K509 HydrophobicContact CE2-CG 4.15Å; F505-K509 HydrophobicContact CZ-CD 4.23Å; F505-K509 HydrophobicContact CZ-CG 3.85Å; F505-K509 WeakPolarHBondContact O-CB 3.48Å; F505-K509 VanDerWaalsContact O-CG 3.31Å; F505-K509 WeakPolarHBondContact O-CG 3.42Å; F505-K509 PolarHBondContact O-N 3.38Å; I506-K509 PolarHBondContact O-N 2.91Å; L507-K509 PolarHBondContact O-N 3.4Å; K509-S512 PolarHBondContact O-N 2.95Å; K509-F513 WeakPolarHBondContact O-CB 3.43Å; K509-F513 PolarHBondContact O-N 3.24Å |
| 510 | S | 93 | Very high | 87.9 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 42% | 0.42 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 175.5 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | I506 L507 F513 C514 | I506-S510 VanDerWaalsContact O-CB 3.3Å; I506-S510 WeakPolarHBondContact O-CB 3.3Å; I506-S510 PolarHBondContact O-N 3.44Å; I506-S510 PolarHBondContact O-OG 3.43Å; L507-S510 PolarHBondContact O-N 3.49Å; S510-F513 PolarHBondContact O-N 2.92Å; S510-C514 WeakPolarHBondContact O-CB 3.38Å; S510-C514 PolarHBondContact O-N 2.96Å; S510-C514 PolarHBondContact O-SG 3.4Å |
| 511 | C | 91.6 | Very high | 85.9 | Confident | 67 Ų | 67 | 113 Ų | 113 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.5 | -47.1 | 174.3 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | L507 F513 C514 F515 | L507-C511 WeakPolarHBondContact O-CB 3.48Å; L507-C511 PolarHBondContact O-N 3.08Å; L507-C511 PolarHBondContact O-SG 3.09Å; C511-F513 VanDerWaalsContact C-N 3.31Å; C511-F513 PolarHBondContact O-N 3.15Å; C511-C514 PolarHBondContact O-N 2.94Å; C511-F515 HydrophobicContact CB-CD2 4.47Å; C511-F515 WeakPolarHBondContact O-CB 3.38Å; C511-F515 WeakPolarHBondContact O-CD2 3.43Å; C511-F515 PolarHBondContact O-N 3.24Å |
| 512 | S | 87.6 | Confident | 83.9 | Confident | 39 Ų | 39 | 117.7 Ų | 117.7 | 27% | 0.273 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.8 | -39.7 | 177.1 | -173.1 | 0 | 0 | 0 | 0 | 112 | F508 K509 F515 K516 | F508-S512 WeakPolarHBondContact O-CB 3.34Å; F508-S512 PolarHBondContact O-N 3.29Å; K509-S512 PolarHBondContact O-N 2.95Å; S512-F515 PolarHBondContact O-N 2.74Å; S512-K516 WeakPolarHBondContact O-CB 3.26Å; S512-K516 VanDerWaalsContact O-CG 3.32Å; S512-K516 WeakPolarHBondContact O-CG 3.44Å; S512-K516 PolarHBondContact O-N 3.06Å |
| 513 | F | 87.2 | Confident | 81.8 | Confident | 127 Ų | 127 | 121.7 Ų | 121.7 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.1 | -47 | 174.6 | -180 | -98 | 0 | 0 | 0 | 111.6 | K509 S510 C511 F515 K516 R517 | K509-F513 WeakPolarHBondContact O-CB 3.43Å; K509-F513 PolarHBondContact O-N 3.24Å; S510-F513 PolarHBondContact O-N 2.92Å; C511-F513 VanDerWaalsContact C-N 3.31Å; C511-F513 PolarHBondContact O-N 3.15Å; F513-F515 PolarHBondContact O-N 3.4Å; F513-K516 PolarHBondContact O-N 2.8Å; F513-R517 VanDerWaalsContact O-CB 3.31Å; F513-R517 WeakPolarHBondContact O-CB 3.21Å; F513-R517 PolarHBondContact O-N 3.19Å |
| 514 | C | 85.1 | Confident | 79.6 | Confident | 70 Ų | 70 | 123.1 Ų | 123.1 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.9 | -47 | 173.7 | -71.4 | 0 | 0 | 0 | 0 | 111.4 | S510 C511 R517 C518 | S510-C514 WeakPolarHBondContact O-CB 3.38Å; S510-C514 PolarHBondContact O-N 2.96Å; S510-C514 PolarHBondContact O-SG 3.4Å; C511-C514 PolarHBondContact O-N 2.94Å; C514-R517 PolarHBondContact O-N 2.84Å; C514-R517 VanDerWaalsContact O-N 3.17Å; C514-C518 WeakPolarHBondContact O-CB 3.35Å; C514-C518 PolarHBondContact O-N 3.15Å; C514-C518 PolarHBondContact O-SG 2.9Å |
| 515 | F | 81.6 | Confident | 77.6 | Confident | 119 Ų | 119 | 128 Ų | 128 | 52% | 0.522 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.5 | -45.4 | 176.4 | -83 | -63.7 | 0 | 0 | 0 | 112.5 | C511 S512 F513 R517 C518 W519 | C511-F515 HydrophobicContact CB-CD2 4.47Å; C511-F515 WeakPolarHBondContact O-CB 3.38Å; C511-F515 WeakPolarHBondContact O-CD2 3.43Å; C511-F515 PolarHBondContact O-N 3.24Å; S512-F515 PolarHBondContact O-N 2.74Å; F513-F515 PolarHBondContact O-N 3.4Å; F515-R517 VanDerWaalsContact C-N 3.27Å; F515-R517 PolarHBondContact O-N 3.33Å; F515-C518 PolarHBondContact O-N 3.07Å; F515-W519 AromaticContact CD1-CE3 3.52Å; F515-W519 HydrophobicContact CD1-CE3 3.52Å; F515-W519 HydrophobicContact CD1-CH2 4.13Å; F515-W519 AromaticContact CD1-CZ3 3.25Å; F515-W519 HydrophobicContact CD1-CZ3 3.25Å; F515-W519 HydrophobicContact CE1-CE3 4.12Å; F515-W519 AromaticContact CE1-CH2 3.85Å; F515-W519 HydrophobicContact CE1-CH2 3.85Å; F515-W519 AromaticContact CE1-CZ3 3.38Å; F515-W519 HydrophobicContact CE1-CZ3 3.38Å; F515-W519 HydrophobicContact CG-CZ3 4.42Å; F515-W519 PolarHBondContact O-N 3.26Å |
| 516 | K | 79.3 | Confident | 75.4 | Confident | 153 Ų | 153 | 134.2 Ų | 134.2 | 67% | 0.665 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.5 | -33.9 | 174.5 | -75.5 | -178.4 | -176.5 | -174.3 | 0 | 112.3 | S512 F513 G520 | S512-K516 WeakPolarHBondContact O-CB 3.26Å; S512-K516 VanDerWaalsContact O-CG 3.32Å; S512-K516 WeakPolarHBondContact O-CG 3.44Å; S512-K516 PolarHBondContact O-N 3.06Å; F513-K516 PolarHBondContact O-N 2.8Å; K516-G520 WeakPolarHBondContact O-CA 3.32Å; K516-G520 PolarHBondContact O-N 3.29Å |
| 517 | R | 76.2 | Confident | 73.3 | Confident | 180 Ų | 180 | 139.7 Ų | 139.7 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.1 | -35.7 | 178.9 | -169.5 | 172.1 | 176.3 | 122.9 | -3.8 | 112.8 | F513 C514 F515 | F513-R517 VanDerWaalsContact O-CB 3.31Å; F513-R517 WeakPolarHBondContact O-CB 3.21Å; F513-R517 PolarHBondContact O-N 3.19Å; C514-R517 PolarHBondContact O-N 2.84Å; C514-R517 VanDerWaalsContact O-N 3.17Å; F515-R517 VanDerWaalsContact C-N 3.27Å; F515-R517 PolarHBondContact O-N 3.33Å |
| 518 | C | 74.7 | Confident | 71.3 | Confident | 100 Ų | 100 | 139 Ų | 139 | 68% | 0.676 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.5 | -35.8 | 179.2 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | C514 F515 | C514-C518 WeakPolarHBondContact O-CB 3.35Å; C514-C518 PolarHBondContact O-N 3.15Å; C514-C518 PolarHBondContact O-SG 2.9Å; F515-C518 PolarHBondContact O-N 3.07Å |
| 519 | W | 62.4 | Low | 68.9 | Low | 214 Ų | 214 | 145.2 Ų | 145.2 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -107 | -7.7 | 179.5 | -79.3 | -40.5 | 0 | 0 | 0 | 115.3 | F515 | F515-W519 AromaticContact CD1-CE3 3.52Å; F515-W519 HydrophobicContact CD1-CE3 3.52Å; F515-W519 HydrophobicContact CD1-CH2 4.13Å; F515-W519 AromaticContact CD1-CZ3 3.25Å; F515-W519 HydrophobicContact CD1-CZ3 3.25Å; F515-W519 HydrophobicContact CE1-CE3 4.12Å; F515-W519 AromaticContact CE1-CH2 3.85Å; F515-W519 HydrophobicContact CE1-CH2 3.85Å; F515-W519 AromaticContact CE1-CZ3 3.38Å; F515-W519 HydrophobicContact CE1-CZ3 3.38Å; F515-W519 HydrophobicContact CG-CZ3 4.42Å; F515-W519 PolarHBondContact O-N 3.26Å |
| 520 | G | 58.3 | Low | 67.6 | Low | 53 Ų | 53 | 147 Ų | 147 | 55% | 0.546 | 71% | 0.712 | S | S | . | * | trans | -90.5 | 4.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | K516 K522 | K516-G520 WeakPolarHBondContact O-CA 3.32Å; K516-G520 PolarHBondContact O-N 3.29Å; G520-K522 VanDerWaalsContact C-N 3.3Å; G520-K522 PolarHBondContact O-N 3.37Å | ||
| 521 | R | 54.4 | Low | 66.2 | Low | 228 Ų | 228 | 151.5 Ų | 151.5 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -72.2 | 85.9 | 169.1 | -81.2 | -173.1 | 174.9 | 179.4 | -1.2 | 109.6 | Q523 | R521-Q523 PolarHBondContact O-N 3.38Š| ||
| 522 | K | 56.8 | Low | 64.8 | Low | 198 Ų | 198 | 156.2 Ų | 156.2 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.9 | 159.8 | -77.7 | -176.2 | 176 | 179.2 | 0 | 107.9 | G520 | G520-K522 VanDerWaalsContact C-N 3.3Å; G520-K522 PolarHBondContact O-N 3.37Å |
| 523 | Q | 53.5 | Low | 63.5 | Low | 181 Ų | 181 | 163.1 Ų | 163.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.5 | 171.6 | -76.1 | -159 | -7.6 | 0 | 0 | 109.9 | R521 K525 | R521-Q523 PolarHBondContact O-N 3.38Å; Q523-K525 PolarHBondContact O-N 3.34Å |
| 524 | P | 52.3 | Low | 62 | Low | 122 Ų | 122 | 165.4 Ų | 165.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.7 | 171.3 | 26.6 | -30.2 | 0 | 0 | 0 | 108.3 | R526 | P524-R526 PolarHBondContact O-N 3.11Š|
| 525 | K | 53.9 | Low | 60.5 | Low | 210 Ų | 210 | 171.7 Ų | 171.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -56.3 | 115.1 | 170.4 | -82.4 | -175.4 | 172.7 | -176.1 | 0 | 108.2 | Q523 K527 | Q523-K525 PolarHBondContact O-N 3.34Å; K525-K527 PolarHBondContact O-N 3.12Å | ||
| 526 | R | 52.1 | Low | 59 | Low | 245 Ų | 245 | 175.5 Ų | 175.5 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.2 | 164.3 | -108.6 | 177.2 | 168 | 176 | -4.7 | 107.6 | P524 A528 | P524-R526 PolarHBondContact O-N 3.11Å; R526-A528 PolarHBondContact O-N 3.33Å |
| 527 | K | 52.2 | Low | 57.4 | Low | 208 Ų | 208 | 177.2 Ų | 177.2 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123.2 | 163.1 | -82.9 | -178.2 | 172.1 | -176.6 | 0 | 107 | K525 | K525-K527 PolarHBondContact O-N 3.12Š|
| 528 | A | 54.2 | Low | 55.8 | Low | 98 Ų | 98 | 177 Ų | 177 | 81% | 0.81 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 130.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | R526 | R526-A528 PolarHBondContact O-N 3.33Š|
| 529 | E | 45.1 | Very low | 54.1 | Low | 267 Ų | 267 | 184 Ų | 184 | 100% | 1.248 | 87% | 0.865 | S | S | * | * | trans | -70.4 | 0 | 163.4 | -76.7 | 177.5 | 156.8 | 0 | 0 | 111 |
Retrieved 529 of 529 residues in 1468.8 ms
(Link to these results)