| 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 | 41.8 | Very low | 42.8 | Very low | 229 Ų | 229 | 152.9 Ų | 152.9 | 100% | 1.128 | 85% | 0.847 | S | S | * | * | 0 | 101.3 | 0 | -75.5 | 162.1 | 140.6 | 0 | 0 | 108.2 | |||||
| 2 | K | 40.5 | Very low | 42.8 | Very low | 215 Ų | 215 | 153 Ų | 153 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | trans | -103.3 | 110.8 | 175.9 | -75.6 | -176.7 | 175.7 | -177.9 | 0 | 107.2 | A4 | K2-A4 PolarHBondContact O-N 2.99Š| ||
| 3 | F | 44 | Very low | 43 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -77.5 | 115 | 174.6 | -78.8 | -92 | 0 | 0 | 0 | 108.7 | ||||
| 4 | A | 45.9 | Very low | 43.3 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -88.9 | 116 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | K2 L6 | K2-A4 PolarHBondContact O-N 2.99Å; A4-L6 PolarHBondContact O-N 3.26Å | ||
| 5 | L | 43.7 | Very low | 43.3 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -77.5 | 110.9 | 179.4 | -143 | 81.1 | 0 | 0 | 0 | 108.4 | A7 | L5-A7 PolarHBondContact O-N 3.22Š| ||
| 6 | L | 42.7 | Very low | 43.5 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -82.4 | 104.1 | 177 | -146.8 | 82.3 | 0 | 0 | 0 | 108.4 | A4 L8 | A4-L6 PolarHBondContact O-N 3.26Å; L6-L8 PolarHBondContact O-N 3.12Å | ||
| 7 | A | 45.5 | Very low | 43.9 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | -79.8 | 105.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L5 V9 | L5-A7 PolarHBondContact O-N 3.22Å; A7-V9 PolarHBondContact O-N 3.35Å | ||
| 8 | L | 41.9 | Very low | 44.5 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | trans | -80.1 | 98.5 | 175.1 | -162.4 | 80.3 | 0 | 0 | 0 | 108.9 | L6 C10 | L6-L8 PolarHBondContact O-N 3.12Å; L8-C10 PolarHBondContact O-N 3.33Å | ||
| 9 | V | 41.6 | Very low | 45.7 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -75.8 | 101.8 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | A7 V11 | A7-V9 PolarHBondContact O-N 3.35Å; V9-V11 HydrophobicContact CG1-CG2 4.42Å; V9-V11 PolarHBondContact O-N 2.98Å | ||
| 10 | C | 40.5 | Very low | 47.4 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -78.7 | 101.8 | 175.5 | -146.5 | 0 | 0 | 0 | 0 | 108.6 | L8 L12 | L8-C10 PolarHBondContact O-N 3.33Å; C10-L12 PolarHBondContact O-N 2.67Å | ||
| 11 | V | 42.3 | Very low | 49.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | -75.2 | 99.9 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | V9 P13 | V9-V11 HydrophobicContact CG1-CG2 4.42Å; V9-V11 PolarHBondContact O-N 2.98Å; V11-P13 WeakPolarHBondContact O-CD 3.28Å | ||
| 12 | L | 43.5 | Very low | 51.8 | Low | 154 Ų | 154 | 124.9 Ų | 124.9 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -71.1 | 121.4 | 169.7 | -82.8 | 158.4 | 0 | 0 | 0 | 108.6 | C10 A14 | C10-L12 PolarHBondContact O-N 2.67Å; L12-A14 PolarHBondContact O-N 3.15Å | ||
| 13 | P | 45.5 | Very low | 54.3 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | -67.3 | 124 | 173.1 | 24 | -25.7 | 0 | 0 | 0 | 108.6 | V11 L15 | V11-P13 WeakPolarHBondContact O-CD 3.28Å; P13-L15 PolarHBondContact O-N 3.07Å | ||
| 14 | A | 46.4 | Very low | 56.7 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | trans | -64.9 | 97.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L12 S16 | L12-A14 PolarHBondContact O-N 3.15Å; A14-S16 PolarHBondContact O-N 2.69Å | ||
| 15 | L | 43.6 | Very low | 58.9 | Low | 149 Ų | 149 | 115.8 Ų | 115.8 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | trans | -61.2 | 105.9 | 164 | -110.6 | 75.4 | 0 | 0 | 0 | 106.4 | P13 L17 | P13-L15 PolarHBondContact O-N 3.07Å; L15-L17 PolarHBondContact O-N 2.9Å | ||
| 16 | S | 46.6 | Very low | 61.4 | Low | 112 Ų | 112 | 109.9 Ų | 109.9 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | trans | -61.1 | 103.1 | 165 | 53.5 | 0 | 0 | 0 | 0 | 106.9 | A14 A18 | A14-S16 PolarHBondContact O-N 2.69Å; S16-A18 PolarHBondContact O-N 3.08Å | ||
| 17 | L | 49.7 | Very low | 64 | Low | 171 Ų | 171 | 102.1 Ų | 102.1 | 90% | 0.895 | 61% | 0.612 | S | S | * | * | trans | -63.5 | 90.9 | 168.1 | -78.5 | 140.3 | 0 | 0 | 0 | 106.8 | L15 A19 | L15-L17 PolarHBondContact O-N 2.9Å; L17-A19 PolarHBondContact O-N 3.46Å | ||
| 18 | A | 55.8 | Low | 66.5 | Low | 61 Ų | 61 | 99 Ų | 99 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 127.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | S16 D20 | S16-A18 PolarHBondContact O-N 3.08Å; A18-D20 PolarHBondContact O-N 3.4Å |
| 19 | A | 66.3 | Low | 69.2 | Low | 35 Ų | 35 | 92.9 Ų | 92.9 | 29% | 0.289 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 127.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108 | L17 V21 K33 N34 | L17-A19 PolarHBondContact O-N 3.46Å; A19-V21 PolarHBondContact O-N 2.81Å; A19-K33 HydrophobicContact CB-CB 3.76Å; A19-K33 HydrophobicContact CB-CD 4.29Å; A19-N34 HydrophobicContact CB-CB 4.41Å; A19-N34 WeakPolarHBondContact O-CB 3.27Å |
| 20 | D | 79.6 | Confident | 71.9 | Confident | 148 Ų | 148 | 87.1 Ų | 87.1 | 79% | 0.791 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 134.2 | -179.7 | -71.7 | -38.4 | 0 | 0 | 0 | 110.4 | A18 T22 | A18-D20 PolarHBondContact O-N 3.4Å; D20-T22 PolarHBondContact O-N 3.49Å |
| 21 | V | 89.2 | Confident | 74.5 | Confident | 54 Ų | 54 | 84 Ų | 84 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | trans | -75.6 | 114.6 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | A19 L28 L30 N34 A38 | A19-V21 PolarHBondContact O-N 2.81Å; V21-L28 HydrophobicContact CG1-CB 3.88Å; V21-L28 HydrophobicContact CG1-CD1 4.34Å; V21-L28 HydrophobicContact CG1-CD2 3.94Å; V21-L28 HydrophobicContact CG1-CG 4.26Å; V21-L30 HydrophobicContact CG1-CD2 3.8Å; V21-L30 HydrophobicContact CG2-CD2 4.31Å; V21-N34 HydrophobicContact CG2-CB 3.89Å; V21-A38 HydrophobicContact CG2-CB 4.15Å | ||
| 22 | T | 92.3 | Very high | 77 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 156.2 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | D20 L28 V29 | D20-T22 PolarHBondContact O-N 3.49Å; T22-L28 CarbonylContact O-C 3.45Å; T22-L28 WeakPolarHBondContact O-CA 3.45Å; T22-V29 PolarHBondContact O-N 2.88Å |
| 23 | E | 93.6 | Very high | 79.4 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.7 | 179.5 | -173 | 179.7 | 148.4 | 0 | 0 | 109.2 | N26 V27 L28 K72 | E23-N26 VanDerWaalsContact OE1-CA 3.26Å; E23-N26 WeakPolarHBondContact OE1-CA 3.27Å; E23-V27 WeakPolarHBondContact CA-O 3.39Å; E23-L28 HydrophobicContact CB-CD2 4.27Å; E23-L28 HydrophobicContact CG-CD2 4.31Å; E23-K72 IonicContact OE1-NZ 2.56Å; E23-K72 PolarHBondContact OE1-NZ 3.23Å |
| 24 | E | 93.9 | Very high | 81.9 | Confident | 100 Ų | 100 | 77 Ų | 77 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121 | 174 | -72.3 | -179.8 | -171.7 | 0 | 0 | 108.8 | N26 V27 V29 K82 | E24-N26 PolarHBondContact O-N 2.91Å; E24-V27 PolarHBondContact N-O 3.11Å; E24-V27 WeakPolarHBondContact O-CA 3.39Å; E24-V27 WeakPolarHBondContact O-CB 3.47Å; E24-V27 PolarHBondContact O-N 2.94Å; E24-V29 HydrophobicContact CB-CG2 4.13Å; E24-V29 HydrophobicContact CG-CG2 3.82Å; E24-K82 WeakPolarHBondContact OE2-CE 3.31Å; E24-K82 IonicContact OE2-NZ 2.77Å; E24-K82 PolarHBondContact OE2-NZ 3.22Å |
| 25 | D | 93.4 | Very high | 84.3 | Confident | 119 Ų | 119 | 72.1 Ų | 72.1 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 40.2 | 178.5 | -61.9 | -40.9 | 0 | 0 | 0 | 114.5 | V27 T65 | D25-V27 VanDerWaalsContact C-N 3.28Å; D25-V27 PolarHBondContact O-N 3.31Å; D25-T65 HydrophobicContact CB-CG2 3.58Å |
| 26 | N | 95.2 | Very high | 86.7 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 6.4 | -175.6 | -43.1 | -77.9 | 0 | 0 | 0 | 116.2 | E23 E24 A68 K72 | E23-N26 VanDerWaalsContact OE1-CA 3.26Å; E23-N26 WeakPolarHBondContact OE1-CA 3.27Å; E24-N26 PolarHBondContact O-N 2.91Å; N26-A68 HydrophobicContact CB-CB 3.94Å; N26-A68 WeakPolarHBondContact O-CB 3.37Å; N26-K72 HydrophobicContact CB-CD 4.24Å; N26-K72 WeakPolarHBondContact OD1-CD 3.47Å; N26-K72 PolarHBondContact OD1-NZ 2.86Å |
| 27 | V | 98.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.7 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | E23 E24 D25 Y64 T65 A68 L80 K82 | E23-V27 WeakPolarHBondContact CA-O 3.39Å; E24-V27 PolarHBondContact N-O 3.11Å; E24-V27 WeakPolarHBondContact O-CA 3.39Å; E24-V27 WeakPolarHBondContact O-CB 3.47Å; E24-V27 PolarHBondContact O-N 2.94Å; D25-V27 VanDerWaalsContact C-N 3.28Å; D25-V27 PolarHBondContact O-N 3.31Å; V27-Y64 HydrophobicContact CG1-CD1 4.05Å; V27-Y64 HydrophobicContact CG1-CE1 3.84Å; V27-Y64 HydrophobicContact CG2-CD1 3.97Å; V27-Y64 HydrophobicContact CG2-CE1 4.4Å; V27-T65 HydrophobicContact CG2-CG2 3.89Å; V27-A68 HydrophobicContact CG2-CB 3.85Å; V27-L80 WeakPolarHBondContact CA-O 3.42Å; V27-K82 HydrophobicContact CG1-CB 4.04Å; V27-K82 HydrophobicContact CG1-CD 4.14Å; V27-K82 HydrophobicContact CG1-CG 3.92Å |
| 28 | L | 98.1 | Very high | 91.2 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.8 | 176.9 | -55.4 | 177.4 | 0 | 0 | 0 | 110.6 | V21 T22 E23 L30 I45 K79 L80 A81 K82 | V21-L28 HydrophobicContact CG1-CB 3.88Å; V21-L28 HydrophobicContact CG1-CD1 4.34Å; V21-L28 HydrophobicContact CG1-CD2 3.94Å; V21-L28 HydrophobicContact CG1-CG 4.26Å; T22-L28 CarbonylContact O-C 3.45Å; T22-L28 WeakPolarHBondContact O-CA 3.45Å; E23-L28 HydrophobicContact CB-CD2 4.27Å; E23-L28 HydrophobicContact CG-CD2 4.31Å; L28-L30 HydrophobicContact CB-CD2 4.27Å; L28-I45 HydrophobicContact CD1-CD1 4.03Å; L28-K79 HydrophobicContact CD1-CB 4.12Å; L28-K79 HydrophobicContact CD1-CG 4.4Å; L28-L80 PolarHBondContact N-O 2.96Å; L28-A81 HydrophobicContact CB-CB 3.9Å; L28-A81 CarbonylContact O-C 3.57Å; L28-A81 WeakPolarHBondContact O-CA 3.34Å; L28-K82 PolarHBondContact O-N 2.93Å |
| 29 | V | 97.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.6 | 176.5 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | T22 E24 N34 | T22-V29 PolarHBondContact O-N 2.88Å; E24-V29 HydrophobicContact CB-CG2 4.13Å; E24-V29 HydrophobicContact CG-CG2 3.82Å; V29-N34 PolarHBondContact O-ND2 2.83Å |
| 30 | L | 98.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -104.4 | 148.9 | -176.5 | -55 | -176.4 | 0 | 0 | 0 | 111.4 | V21 L28 N34 F35 A38 I45 V47 A81 K82 V83 | V21-L30 HydrophobicContact CG1-CD2 3.8Å; V21-L30 HydrophobicContact CG2-CD2 4.31Å; L28-L30 HydrophobicContact CB-CD2 4.27Å; L30-N34 VanDerWaalsContact CA-OD1 3.29Å; L30-N34 WeakPolarHBondContact CA-OD1 3.26Å; L30-F35 HydrophobicContact CB-CD2 3.99Å; L30-F35 HydrophobicContact CD1-CD2 3.96Å; L30-F35 HydrophobicContact CD1-CE2 4.18Å; L30-A38 HydrophobicContact CD1-CB 4.04Å; L30-A38 HydrophobicContact CD2-CB 3.39Å; L30-A38 HydrophobicContact CG-CB 4.37Å; L30-I45 HydrophobicContact CD1-CD1 4.22Å; L30-V47 HydrophobicContact CD1-CG2 4.23Å; L30-A81 HydrophobicContact CD1-CB 3.62Å; L30-A81 HydrophobicContact CG-CB 3.91Å; L30-K82 PolarHBondContact N-O 3.48Å; L30-V83 HydrophobicContact CB-CG2 3.71Å | ||
| 31 | N | 96.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | trans | -146.4 | 173.7 | 175.5 | 58.9 | 66.3 | 0 | 0 | 0 | 109.2 | K33 N34 F35 E88 | N31-K33 PolarHBondContact O-N 3.1Å; N31-K33 WeakPolarHBondContact OD1-CA 3.25Å; N31-K33 VanDerWaalsContact OD1-CB 3.27Å; N31-K33 WeakPolarHBondContact OD1-CB 3.37Å; N31-K33 PolarHBondContact OD1-N 3.37Å; N31-N34 PolarHBondContact N-OD1 2.89Å; N31-N34 PolarHBondContact ND2-ND2 3.37Å; N31-N34 PolarHBondContact O-N 3.41Å; N31-N34 VanDerWaalsContact O-N 3.09Å; N31-N34 PolarHBondContact O-OD1 3.28Å; N31-N34 VanDerWaalsContact O-OD1 3.1Å; N31-N34 PolarHBondContact OD1-N 2.88Å; N31-F35 WeakPolarHBondContact O-CB 3.48Å; N31-F35 PolarHBondContact O-N 3.38Å; N31-E88 HydrophobicContact CB-CG 4.22Å; N31-E88 WeakPolarHBondContact CB-OE1 3.24Å | ||
| 32 | T | 93.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.5 | -176.7 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | E88 | T32-E88 VanDerWaalsContact CB-OE2 3.29Å; T32-E88 WeakPolarHBondContact CB-OE2 3.41Å; T32-E88 PolarHBondContact N-OE2 3.26Å; T32-E88 PolarHBondContact OG1-OE2 3.21Å |
| 33 | K | 94.5 | Very high | 95.1 | Very high | 166 Ų | 166 | 58.8 Ų | 58.8 | 72% | 0.722 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -21.8 | -177 | -55.4 | 176.8 | -178.7 | 173.7 | 0 | 114.4 | A19 N31 | A19-K33 HydrophobicContact CB-CB 3.76Å; A19-K33 HydrophobicContact CB-CD 4.29Å; N31-K33 PolarHBondContact O-N 3.1Å; N31-K33 WeakPolarHBondContact OD1-CA 3.25Å; N31-K33 VanDerWaalsContact OD1-CB 3.27Å; N31-K33 WeakPolarHBondContact OD1-CB 3.37Å; N31-K33 PolarHBondContact OD1-N 3.37Å |
| 34 | N | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -3.4 | -173.6 | 71.3 | 4.8 | 0 | 0 | 0 | 113.8 | A19 V21 V29 L30 N31 S37 A38 | A19-N34 HydrophobicContact CB-CB 4.41Å; A19-N34 WeakPolarHBondContact O-CB 3.27Å; V21-N34 HydrophobicContact CG2-CB 3.89Å; V29-N34 PolarHBondContact O-ND2 2.83Å; L30-N34 VanDerWaalsContact CA-OD1 3.29Å; L30-N34 WeakPolarHBondContact CA-OD1 3.26Å; N31-N34 PolarHBondContact N-OD1 2.89Å; N31-N34 PolarHBondContact ND2-ND2 3.37Å; N31-N34 PolarHBondContact O-N 3.41Å; N31-N34 VanDerWaalsContact O-N 3.09Å; N31-N34 PolarHBondContact O-OD1 3.28Å; N31-N34 VanDerWaalsContact O-OD1 3.1Å; N31-N34 PolarHBondContact OD1-N 2.88Å; N34-S37 WeakPolarHBondContact CA-OG 3.48Å; N34-S37 PolarHBondContact O-OG 3.26Å; N34-A38 WeakPolarHBondContact O-CB 3.29Å; N34-A38 PolarHBondContact O-N 3.46Å |
| 35 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -56.9 | -177.6 | -169.7 | -79.5 | 0 | 0 | 0 | 111.7 | L30 N31 S37 A38 I39 V47 F49 V83 L91 Y95 F106 | L30-F35 HydrophobicContact CB-CD2 3.99Å; L30-F35 HydrophobicContact CD1-CD2 3.96Å; L30-F35 HydrophobicContact CD1-CE2 4.18Å; N31-F35 WeakPolarHBondContact O-CB 3.48Å; N31-F35 PolarHBondContact O-N 3.38Å; F35-S37 VanDerWaalsContact C-N 3.33Å; F35-S37 PolarHBondContact O-N 3.38Å; F35-A38 WeakPolarHBondContact O-CB 3.48Å; F35-A38 PolarHBondContact O-N 3.43Å; F35-I39 HydrophobicContact CD1-CD1 4.41Å; F35-I39 HydrophobicContact CD1-CG1 3.73Å; F35-I39 HydrophobicContact CE1-CD1 3.79Å; F35-I39 HydrophobicContact CE1-CG1 3.39Å; F35-I39 HydrophobicContact CZ-CD1 4.03Å; F35-I39 HydrophobicContact CZ-CG1 4.15Å; F35-I39 WeakPolarHBondContact O-CG1 3.42Å; F35-I39 PolarHBondContact O-N 3.01Å; F35-V47 HydrophobicContact CE2-CG1 3.96Å; F35-V47 HydrophobicContact CE2-CG2 4.25Å; F35-V47 HydrophobicContact CZ-CG2 4.21Å; F35-F49 HydrophobicContact CE2-CE1 4.42Å; F35-F49 AromaticContact CE2-CZ 3.85Å; F35-F49 HydrophobicContact CE2-CZ 3.85Å; F35-F49 HydrophobicContact CZ-CZ 4.06Å; F35-V83 HydrophobicContact CD2-CG2 3.9Å; F35-V83 HydrophobicContact CE2-CG2 3.86Å; F35-L91 HydrophobicContact CB-CD1 4Å; F35-L91 HydrophobicContact CB-CD2 4.12Å; F35-L91 HydrophobicContact CD1-CD2 4.3Å; F35-L91 HydrophobicContact CD2-CD1 3.74Å; F35-L91 HydrophobicContact CD2-CD2 4.22Å; F35-L91 HydrophobicContact CG-CD1 4.06Å; F35-L91 HydrophobicContact CG-CD2 3.95Å; F35-Y95 HydrophobicContact CD1-CE2 4.08Å; F35-Y95 HydrophobicContact CE1-CD2 4.5Å; F35-Y95 AromaticContact CE1-CE2 3.4Å; F35-Y95 HydrophobicContact CE1-CE2 3.4Å; F35-Y95 VanDerWaalsContact CE1-CE2 3.4Å; F35-Y95 AromaticContact CE1-CZ 3.5Å; F35-Y95 WeakPolarHBondContact CE1-OH 3.47Å; F35-Y95 HydrophobicContact CE2-CE2 4.27Å; F35-Y95 HydrophobicContact CZ-CD2 4.22Å; F35-Y95 AromaticContact CZ-CE2 3.51Å; F35-Y95 HydrophobicContact CZ-CE2 3.51Å; F35-Y95 AromaticContact CZ-CZ 3.93Å; F35-F106 HydrophobicContact CE1-CE1 4.33Å; F35-F106 HydrophobicContact CE1-CE2 4.46Å; F35-F106 AromaticContact CE1-CZ 3.95Å; F35-F106 HydrophobicContact CE1-CZ 3.95Å; F35-F106 HydrophobicContact CZ-CE1 4.48Å; F35-F106 AromaticContact CZ-CE2 3.89Å; F35-F106 HydrophobicContact CZ-CE2 3.89Å; F35-F106 AromaticContact CZ-CZ 3.68Å; F35-F106 HydrophobicContact CZ-CZ 3.68Å |
| 36 | D | 93.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 43% | 0.428 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -41.7 | -174.1 | -65.6 | -28.9 | 0 | 0 | 0 | 110.8 | A38 I39 D40 K94 | D36-A38 VanDerWaalsContact C-N 3.34Å; D36-A38 PolarHBondContact O-N 3.34Å; D36-I39 PolarHBondContact O-N 2.91Å; D36-D40 PolarHBondContact O-N 3.38Å; D36-K94 IonicContact OD1-NZ 3.94Å; D36-K94 PolarHBondContact OD1-NZ 3.23Å; D36-K94 IonicContact OD2-NZ 3.03Å |
| 37 | S | 94.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 42 Ų | 42 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 172.9 | 50 | 0 | 0 | 0 | 0 | 112.9 | N34 F35 I39 D40 D41 | N34-S37 WeakPolarHBondContact CA-OG 3.48Å; N34-S37 PolarHBondContact O-OG 3.26Å; F35-S37 VanDerWaalsContact C-N 3.33Å; F35-S37 PolarHBondContact O-N 3.38Å; S37-I39 VanDerWaalsContact C-N 3.33Å; S37-I39 PolarHBondContact O-N 2.83Å; S37-D40 PolarHBondContact O-N 3.03Å; S37-D41 VanDerWaalsContact O-CB 3.26Å; S37-D41 WeakPolarHBondContact O-CB 3.41Å; S37-D41 PolarHBondContact O-N 3.4Å |
| 38 | A | 95.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.8 | -33.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V21 L30 N34 F35 D36 N42 I45 | V21-A38 HydrophobicContact CG2-CB 4.15Å; L30-A38 HydrophobicContact CD1-CB 4.04Å; L30-A38 HydrophobicContact CD2-CB 3.39Å; L30-A38 HydrophobicContact CG-CB 4.37Å; N34-A38 WeakPolarHBondContact O-CB 3.29Å; N34-A38 PolarHBondContact O-N 3.46Å; F35-A38 WeakPolarHBondContact O-CB 3.48Å; F35-A38 PolarHBondContact O-N 3.43Å; D36-A38 VanDerWaalsContact C-N 3.34Å; D36-A38 PolarHBondContact O-N 3.34Å; A38-N42 WeakPolarHBondContact O-CB 3.39Å; A38-N42 PolarHBondContact O-N 3.35Å; A38-N42 PolarHBondContact O-ND2 3.21Å; A38-I45 HydrophobicContact CB-CD1 4.48Å |
| 39 | I | 95.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 172.9 | -59.2 | -48.8 | 0 | 0 | 0 | 110.7 | F35 D36 S37 N42 I45 V47 F106 | F35-I39 HydrophobicContact CD1-CD1 4.41Å; F35-I39 HydrophobicContact CD1-CG1 3.73Å; F35-I39 HydrophobicContact CE1-CD1 3.79Å; F35-I39 HydrophobicContact CE1-CG1 3.39Å; F35-I39 HydrophobicContact CZ-CD1 4.03Å; F35-I39 HydrophobicContact CZ-CG1 4.15Å; F35-I39 WeakPolarHBondContact O-CG1 3.42Å; F35-I39 PolarHBondContact O-N 3.01Å; D36-I39 PolarHBondContact O-N 2.91Å; S37-I39 VanDerWaalsContact C-N 3.33Å; S37-I39 PolarHBondContact O-N 2.83Å; I39-N42 PolarHBondContact O-N 3.12Å; I39-N42 VanDerWaalsContact O-O 3.09Å; I39-I45 HydrophobicContact CD1-CD1 4.41Å; I39-I45 HydrophobicContact CD1-CG2 3.45Å; I39-I45 VanDerWaalsContact CD1-CG2 3.45Å; I39-V47 HydrophobicContact CD1-CG2 4.18Å; I39-F106 HydrophobicContact CD1-CB 4.11Å; I39-F106 HydrophobicContact CD1-CD1 4.06Å; I39-F106 HydrophobicContact CD1-CD2 3.64Å; I39-F106 HydrophobicContact CD1-CE1 4.39Å; I39-F106 HydrophobicContact CD1-CE2 4.03Å; I39-F106 HydrophobicContact CD1-CG 3.67Å; I39-F106 HydrophobicContact CD1-CZ 4.4Å; I39-F106 HydrophobicContact CG1-CD1 4.27Å; I39-F106 HydrophobicContact CG1-CE1 4.47Å; I39-F106 HydrophobicContact CG1-CG 4.36Å; I39-F106 HydrophobicContact CG2-CB 4.08Å; I39-F106 HydrophobicContact CG2-CD1 3.92Å; I39-F106 HydrophobicContact CG2-CG 4.18Å |
| 40 | D | 91.7 | Very high | 95.8 | Very high | 132 Ų | 132 | 42.2 Ų | 42.2 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68.1 | -38.5 | -179.2 | -70.6 | -16.9 | 0 | 0 | 0 | 112.4 | D36 S37 N42 | D36-D40 PolarHBondContact O-N 3.38Å; S37-D40 PolarHBondContact O-N 3.03Å; D40-N42 VanDerWaalsContact C-N 3.32Å; D40-N42 PolarHBondContact O-N 2.98Å |
| 41 | D | 93.6 | Very high | 95.7 | Very high | 131 Ų | 131 | 42 Ų | 42 | 70% | 0.701 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -76.9 | -16.7 | -178.4 | -72.5 | -21.2 | 0 | 0 | 0 | 113.4 | S37 | S37-D41 VanDerWaalsContact O-CB 3.26Å; S37-D41 WeakPolarHBondContact O-CB 3.41Å; S37-D41 PolarHBondContact O-N 3.4Å |
| 42 | N | 94.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -119.7 | 114.7 | -175.6 | -65.8 | -80.7 | 0 | 0 | 0 | 111.7 | A38 I39 D40 F44 I45 K79 | A38-N42 WeakPolarHBondContact O-CB 3.39Å; A38-N42 PolarHBondContact O-N 3.35Å; A38-N42 PolarHBondContact O-ND2 3.21Å; I39-N42 PolarHBondContact O-N 3.12Å; I39-N42 VanDerWaalsContact O-O 3.09Å; D40-N42 VanDerWaalsContact C-N 3.32Å; D40-N42 PolarHBondContact O-N 2.98Å; N42-F44 PolarHBondContact O-N 3.15Å; N42-F44 VanDerWaalsContact O-N 3.14Å; N42-I45 HydrophobicContact CB-CB 4.1Å; N42-I45 HydrophobicContact CB-CD1 4.43Å; N42-I45 HydrophobicContact CB-CG2 4.41Å; N42-K79 HydrophobicContact CB-CG 4.33Å; N42-K79 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 43 | K | 90.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 46% | 0.457 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -53.6 | -38.5 | 177.8 | -167.1 | 178.8 | -176.4 | 174.3 | 0 | 113 | E108 | K43-E108 WeakPolarHBondContact CE-OE1 3.17Å; K43-E108 HydrophobicContact CG-CG 3.8Å; K43-E108 IonicContact NZ-OE1 2.6Å; K43-E108 PolarHBondContact NZ-OE1 2.9Å; K43-E108 VanDerWaalsContact NZ-OE1 3.16Å; K43-E108 PolarHBondContact O-N 2.75Å |
| 44 | F | 95.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 116.3 | -179.2 | -53.3 | -54.3 | 0 | 0 | 0 | 109.4 | N42 D77 I78 K79 F105 F106 K107 E108 T131 | N42-F44 PolarHBondContact O-N 3.15Å; N42-F44 VanDerWaalsContact O-N 3.14Å; F44-D77 HydrophobicContact CD2-CB 4.27Å; F44-I78 HydrophobicContact CB-CB 4.35Å; F44-I78 HydrophobicContact CB-CG1 4.05Å; F44-I78 HydrophobicContact CB-CG2 4.32Å; F44-I78 HydrophobicContact CD2-CG1 4.2Å; F44-I78 HydrophobicContact CG-CG1 4.47Å; F44-I78 WeakPolarHBondContact O-CA 3.46Å; F44-K79 PolarHBondContact O-N 2.89Å; F44-F105 HydrophobicContact CB-CE2 4.04Å; F44-F105 HydrophobicContact CB-CZ 3.99Å; F44-F105 HydrophobicContact CD1-CZ 4.16Å; F44-F105 HydrophobicContact CG-CZ 4.42Å; F44-F106 WeakPolarHBondContact CA-O 3.29Å; F44-K107 HydrophobicContact CD1-CB 4.4Å; F44-K107 HydrophobicContact CD1-CG 3.72Å; F44-K107 HydrophobicContact CE1-CD 4.39Å; F44-K107 HydrophobicContact CE1-CG 3.6Å; F44-E108 HydrophobicContact CE1-CG 4.49Å; F44-T131 HydrophobicContact CB-CG2 3.83Å; F44-T131 HydrophobicContact CD1-CG2 3.5Å; F44-T131 VanDerWaalsContact CD1-CG2 3.5Å; F44-T131 HydrophobicContact CD2-CG2 3.65Å; F44-T131 HydrophobicContact CE1-CG2 3.9Å; F44-T131 HydrophobicContact CE2-CG2 4.02Å; F44-T131 HydrophobicContact CG-CG2 3.36Å; F44-T131 HydrophobicContact CZ-CG2 4.12Å |
| 45 | I | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 123.8 | -179.7 | -174.4 | 169.2 | 0 | 0 | 0 | 111.5 | L28 L30 A38 I39 N42 V47 K79 A81 F105 F106 | L28-I45 HydrophobicContact CD1-CD1 4.03Å; L30-I45 HydrophobicContact CD1-CD1 4.22Å; A38-I45 HydrophobicContact CB-CD1 4.48Å; I39-I45 HydrophobicContact CD1-CD1 4.41Å; I39-I45 HydrophobicContact CD1-CG2 3.45Å; I39-I45 VanDerWaalsContact CD1-CG2 3.45Å; N42-I45 HydrophobicContact CB-CB 4.1Å; N42-I45 HydrophobicContact CB-CD1 4.43Å; N42-I45 HydrophobicContact CB-CG2 4.41Å; I45-V47 HydrophobicContact CG1-CG2 4.33Å; I45-K79 CarbonylContact C-O 3.52Å; I45-K79 VanDerWaalsContact CA-O 3.28Å; I45-K79 WeakPolarHBondContact CA-O 3.18Å; I45-K79 HydrophobicContact CB-CB 4.38Å; I45-K79 HydrophobicContact CD1-CB 4.45Å; I45-K79 HydrophobicContact CG1-CB 4.12Å; I45-A81 HydrophobicContact CD1-CB 3.88Å; I45-A81 HydrophobicContact CG1-CB 4.01Å; I45-F105 WeakPolarHBondContact O-CD2 3.47Å; I45-F106 HydrophobicContact CG2-CB 3.72Å; I45-F106 HydrophobicContact CG2-CD2 4.38Å; I45-F106 HydrophobicContact CG2-CG 4.38Å; I45-F106 PolarHBondContact N-O 2.79Å; I45-F106 PolarHBondContact O-N 2.92Å |
| 46 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.4 | 172.1 | -176.2 | 64.2 | 0 | 0 | 0 | 108.7 | Y64 K79 L80 A81 L103 F105 Y114 I123 L127 | L46-Y64 VanDerWaalsContact C-OH 3.28Å; L46-Y64 HydrophobicContact CD2-CE2 3.76Å; L46-Y64 HydrophobicContact CG-CE2 4.19Å; L46-Y64 WeakPolarHBondContact CG-OH 3.25Å; L46-Y64 PolarHBondContact O-OH 3.17Å; L46-K79 PolarHBondContact N-O 2.88Å; L46-L80 HydrophobicContact CB-CD1 4.29Å; L46-L80 HydrophobicContact CB-CG 4.27Å; L46-L80 HydrophobicContact CD2-CG 4.46Å; L46-L80 CarbonylContact O-C 3.56Å; L46-L80 WeakPolarHBondContact O-CA 3.33Å; L46-A81 PolarHBondContact O-N 3.18Å; L46-L103 HydrophobicContact CD1-CB 4.26Å; L46-L103 HydrophobicContact CD1-CD2 4.48Å; L46-L103 HydrophobicContact CD2-CD2 4.08Å; L46-L103 HydrophobicContact CG-CD2 4.37Å; L46-F105 HydrophobicContact CB-CD2 4.14Å; L46-F105 HydrophobicContact CD1-CB 3.78Å; L46-F105 HydrophobicContact CD1-CD2 4.38Å; L46-Y114 HydrophobicContact CD1-CD2 3.9Å; L46-Y114 HydrophobicContact CD1-CG 4.07Å; L46-Y114 HydrophobicContact CD2-CD2 4.2Å; L46-Y114 HydrophobicContact CD2-CE2 4.38Å; L46-I123 HydrophobicContact CD2-CG2 3.81Å; L46-L127 HydrophobicContact CB-CD1 4.36Å; L46-L127 HydrophobicContact CB-CD2 4.03Å; L46-L127 HydrophobicContact CD1-CD2 4.48Å; L46-L127 HydrophobicContact CD2-CD1 3.89Å; L46-L127 HydrophobicContact CD2-CD2 4.15Å; L46-L127 HydrophobicContact CD2-CG 4.32Å; L46-L127 HydrophobicContact CG-CD2 4.46Å |
| 47 | V | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 110 | L30 F35 I39 I45 F49 A81 V83 L103 K104 F106 | L30-V47 HydrophobicContact CD1-CG2 4.23Å; F35-V47 HydrophobicContact CE2-CG1 3.96Å; F35-V47 HydrophobicContact CE2-CG2 4.25Å; F35-V47 HydrophobicContact CZ-CG2 4.21Å; I39-V47 HydrophobicContact CD1-CG2 4.18Å; I45-V47 HydrophobicContact CG1-CG2 4.33Å; V47-F49 HydrophobicContact CB-CE2 4.22Å; V47-F49 HydrophobicContact CG1-CD2 4.18Å; V47-F49 HydrophobicContact CG1-CE2 3.8Å; V47-F49 HydrophobicContact CG1-CZ 4.12Å; V47-A81 CarbonylContact C-O 3.43Å; V47-A81 WeakPolarHBondContact CA-O 3.4Å; V47-A81 HydrophobicContact CG2-CB 4.18Å; V47-V83 HydrophobicContact CG1-CG2 3.79Å; V47-L103 CarbonylContact O-C 3.6Å; V47-L103 VanDerWaalsContact O-CA 3.32Å; V47-L103 WeakPolarHBondContact O-CA 3.32Å; V47-K104 PolarHBondContact N-O 2.85Å; V47-K104 PolarHBondContact O-N 2.92Å; V47-F106 HydrophobicContact CB-CE2 4.11Å; V47-F106 HydrophobicContact CG2-CD2 3.79Å; V47-F106 HydrophobicContact CG2-CE2 3.62Å |
| 48 | E | 98.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.9 | 167.9 | -174.4 | -166.3 | 177.8 | 0 | 0 | 110.3 | L60 Y64 A81 K82 V83 P101 L103 | E48-L60 HydrophobicContact CG-CD2 4.16Å; E48-Y64 HydrophobicContact CB-CE1 4.04Å; E48-Y64 HydrophobicContact CB-CE2 4.45Å; E48-Y64 PolarHBondContact N-OH 3.4Å; E48-A81 PolarHBondContact N-O 3.12Å; E48-K82 HydrophobicContact CB-CB 4.43Å; E48-K82 CarbonylContact O-C 3.54Å; E48-K82 VanDerWaalsContact O-CA 3.27Å; E48-K82 WeakPolarHBondContact O-CA 3.23Å; E48-V83 PolarHBondContact O-N 2.84Å; E48-P101 HydrophobicContact CG-CB 4.04Å; E48-L103 HydrophobicContact CB-CG 4.39Å; E48-L103 HydrophobicContact CG-CD1 4.39Å; E48-L103 HydrophobicContact CG-CG 4.42Å |
| 49 | F | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.9 | 164.4 | -66.7 | -92.8 | 0 | 0 | 0 | 109 | F35 V47 V83 A85 L91 Y95 V97 P101 T102 K104 | F35-F49 HydrophobicContact CE2-CE1 4.42Å; F35-F49 AromaticContact CE2-CZ 3.85Å; F35-F49 HydrophobicContact CE2-CZ 3.85Å; F35-F49 HydrophobicContact CZ-CZ 4.06Å; V47-F49 HydrophobicContact CB-CE2 4.22Å; V47-F49 HydrophobicContact CG1-CD2 4.18Å; V47-F49 HydrophobicContact CG1-CE2 3.8Å; V47-F49 HydrophobicContact CG1-CZ 4.12Å; F49-V83 WeakPolarHBondContact CA-O 3.21Å; F49-V83 HydrophobicContact CD1-CB 3.84Å; F49-V83 HydrophobicContact CD1-CG1 3.9Å; F49-V83 HydrophobicContact CD1-CG2 4.46Å; F49-V83 HydrophobicContact CE1-CB 3.98Å; F49-V83 HydrophobicContact CE1-CG1 3.95Å; F49-V83 HydrophobicContact CE1-CG2 4.15Å; F49-A85 HydrophobicContact CB-CB 4.27Å; F49-A85 HydrophobicContact CD1-CB 4.4Å; F49-L91 HydrophobicContact CE1-CB 4.19Å; F49-Y95 HydrophobicContact CE1-CD2 4.19Å; F49-Y95 HydrophobicContact CE2-CD2 4.46Å; F49-Y95 AromaticContact CZ-CD2 3.58Å; F49-Y95 HydrophobicContact CZ-CD2 3.58Å; F49-Y95 HydrophobicContact CZ-CE2 4.31Å; F49-Y95 HydrophobicContact CZ-CG 4.12Å; F49-V97 HydrophobicContact CB-CG1 4.03Å; F49-V97 HydrophobicContact CB-CG2 3.86Å; F49-V97 HydrophobicContact CD1-CG2 3.9Å; F49-V97 HydrophobicContact CD2-CG2 4.02Å; F49-V97 HydrophobicContact CE1-CG2 4.46Å; F49-V97 HydrophobicContact CG-CG2 3.65Å; F49-P101 WeakPolarHBondContact O-CA 3.19Å; F49-T102 PolarHBondContact N-O 2.97Å; F49-T102 PolarHBondContact O-N 2.79Å; F49-K104 HydrophobicContact CD2-CG 4.1Å; F49-K104 HydrophobicContact CE2-CB 4.18Å; F49-K104 HydrophobicContact CE2-CG 3.84Å |
| 50 | Y | 97.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 166.6 | -172.3 | 77.4 | -85 | 0 | 0 | 0 | 112.7 | P52 C57 K82 V83 D84 A85 | Y50-P52 HydrophobicContact CE2-CG 4.17Å; Y50-C57 VanDerWaalsContact CB-SG 3.59Å; Y50-K82 HydrophobicContact CD1-CB 4.03Å; Y50-K82 HydrophobicContact CE1-CB 3.89Å; Y50-K82 HydrophobicContact CE1-CD 4.03Å; Y50-K82 HydrophobicContact CE1-CG 4.01Å; Y50-V83 WeakPolarHBondContact CD1-O 3.43Å; Y50-V83 VanDerWaalsContact CE1-C 3.46Å; Y50-V83 PolarHBondContact N-O 3.33Å; Y50-D84 HydrophobicContact CE1-CB 4.15Å; Y50-D84 HydrophobicContact CE2-CB 4.37Å; Y50-A85 PolarHBondContact O-N 2.87Å |
| 51 | A | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -122.9 | 132.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | W53 C54 T86 Y100 | A51-W53 HydrophobicContact CB-CD2 4.19Å; A51-W53 HydrophobicContact CB-CH2 4.41Å; A51-W53 HydrophobicContact CB-CZ2 3.91Å; A51-W53 PolarHBondContact O-N 3.23Å; A51-W53 VanDerWaalsContact O-N 3.09Å; A51-C54 HydrophobicContact CB-CB 4.11Å; A51-C54 WeakPolarHBondContact O-CB 3.26Å; A51-C54 PolarHBondContact O-N 3.34Å; A51-T86 HydrophobicContact CB-CG2 3.44Å; A51-T86 VanDerWaalsContact CB-CG2 3.44Å; A51-Y100 HydrophobicContact CB-CD1 4.44Å; A51-Y100 HydrophobicContact CB-CD2 3.48Å; A51-Y100 VanDerWaalsContact CB-CD2 3.48Å; A51-Y100 HydrophobicContact CB-CE2 3.79Å; A51-Y100 HydrophobicContact CB-CG 3.84Å | ||
| 52 | P | 94.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -27.8 | -175.5 | -27.2 | 34.4 | 0 | 0 | 0 | 114.6 | Y50 K58 D84 | Y50-P52 HydrophobicContact CE2-CG 4.17Å; P52-K58 WeakPolarHBondContact O-CE 3.25Å; P52-D84 WeakPolarHBondContact CD-OD1 3.32Å; P52-D84 WeakPolarHBondContact CD-OD2 3.44Å; P52-D84 WeakPolarHBondContact CG-OD2 3.37Å |
| 53 | W | 91.6 | Very high | 95.7 | Very high | 180 Ų | 180 | 47.4 Ų | 47.4 | 68% | 0.682 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -7.3 | -179.9 | 50.2 | -101.4 | 0 | 0 | 0 | 113.6 | A51 Y100 | A51-W53 HydrophobicContact CB-CD2 4.19Å; A51-W53 HydrophobicContact CB-CH2 4.41Å; A51-W53 HydrophobicContact CB-CZ2 3.91Å; A51-W53 PolarHBondContact O-N 3.23Å; A51-W53 VanDerWaalsContact O-N 3.09Å; W53-Y100 HydrophobicContact CH2-CD2 4.25Å; W53-Y100 HydrophobicContact CH2-CE2 4.44Å; W53-Y100 HydrophobicContact CZ2-CD2 4.46Å; W53-Y100 HydrophobicContact CZ2-CE2 4.32Å |
| 54 | C | 94 | Very high | 96.1 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 10% | 0.095 | 23% | 0.233 | C | C | . | . | trans | -78.8 | 122.9 | -177.1 | 177 | 0 | 0 | 0 | 0 | 112 | A51 H56 C57 K58 Y100 | A51-C54 HydrophobicContact CB-CB 4.11Å; A51-C54 WeakPolarHBondContact O-CB 3.26Å; A51-C54 PolarHBondContact O-N 3.34Å; C54-H56 VanDerWaalsContact C-N 3.33Å; C54-H56 PolarHBondContact O-N 2.85Å; C54-C57 HydrophobicContact CB-CB 4.07Å; C54-C57 PolarHBondContact O-N 2.84Å; C54-C57 VanDerWaalsContact SG-SG 3.66Å; C54-K58 WeakPolarHBondContact O-CG 3.25Å; C54-K58 PolarHBondContact O-N 2.82Å; C54-K58 VanDerWaalsContact O-N 3.11Å; C54-Y100 PolarHBondContact SG-O 3.01Å | ||
| 55 | G | 91.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K58 A59 | G55-K58 PolarHBondContact O-N 2.98Å; G55-A59 PolarHBondContact O-N 2.88Å |
| 56 | H | 93.1 | Very high | 96.2 | Very high | 124 Ų | 124 | 48 Ų | 48 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68 | -37.6 | 177.3 | -63.7 | 154.8 | 0 | 0 | 0 | 112.6 | C54 A59 L60 | C54-H56 VanDerWaalsContact C-N 3.33Å; C54-H56 PolarHBondContact O-N 2.85Å; H56-A59 PolarHBondContact O-N 2.82Å; H56-L60 WeakPolarHBondContact O-CB 3.33Å; H56-L60 PolarHBondContact O-N 3.31Å |
| 57 | C | 95.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.9 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | Y50 C54 A59 L60 A61 | Y50-C57 VanDerWaalsContact CB-SG 3.59Å; C54-C57 HydrophobicContact CB-CB 4.07Å; C54-C57 PolarHBondContact O-N 2.84Å; C54-C57 VanDerWaalsContact SG-SG 3.66Å; C57-A59 VanDerWaalsContact C-N 3.25Å; C57-A59 PolarHBondContact O-N 2.87Å; C57-L60 PolarHBondContact O-N 3.42Å; C57-L60 VanDerWaalsContact O-N 3.14Å; C57-A61 PolarHBondContact O-N 2.96Å |
| 58 | K | 94.5 | Very high | 96.2 | Very high | 136 Ų | 136 | 48.2 Ų | 48.2 | 59% | 0.591 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.5 | -36.9 | 176.1 | -69.5 | -179 | -176 | -177.8 | 0 | 112.6 | P52 C54 G55 P62 | P52-K58 WeakPolarHBondContact O-CE 3.25Å; C54-K58 WeakPolarHBondContact O-CG 3.25Å; C54-K58 PolarHBondContact O-N 2.82Å; C54-K58 VanDerWaalsContact O-N 3.11Å; G55-K58 PolarHBondContact O-N 2.98Å; K58-P62 VanDerWaalsContact O-CD 3.31Å; K58-P62 WeakPolarHBondContact O-CD 3.41Å |
| 59 | A | 95 | Very high | 96.2 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 55% | 0.554 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.3 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G55 H56 C57 P62 | G55-A59 PolarHBondContact O-N 2.88Å; H56-A59 PolarHBondContact O-N 2.82Å; C57-A59 VanDerWaalsContact C-N 3.25Å; C57-A59 PolarHBondContact O-N 2.87Å; A59-P62 WeakPolarHBondContact O-CD 3.41Å |
| 60 | L | 97.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.9 | -38.7 | 177.5 | 175 | 59.7 | 0 | 0 | 0 | 112.4 | E48 H56 C57 E63 Y64 P101 L103 R118 I123 | E48-L60 HydrophobicContact CG-CD2 4.16Å; H56-L60 WeakPolarHBondContact O-CB 3.33Å; H56-L60 PolarHBondContact O-N 3.31Å; C57-L60 PolarHBondContact O-N 3.42Å; C57-L60 VanDerWaalsContact O-N 3.14Å; L60-E63 PolarHBondContact O-N 2.85Å; L60-Y64 HydrophobicContact CD1-CD2 4.38Å; L60-Y64 WeakPolarHBondContact O-CB 3.48Å; L60-Y64 PolarHBondContact O-N 3.25Å; L60-P101 HydrophobicContact CD2-CB 3.94Å; L60-P101 HydrophobicContact CD2-CG 3.77Å; L60-L103 HydrophobicContact CD2-CD1 3.79Å; L60-L103 HydrophobicContact CD2-CD2 4.32Å; L60-R118 HydrophobicContact CD1-CB 4.02Å; L60-R118 HydrophobicContact CD1-CG 4.37Å; L60-R118 VanDerWaalsContact CD1-O 3.24Å; L60-R118 WeakPolarHBondContact CD1-O 3.47Å; L60-I123 HydrophobicContact CD1-CD1 4.07Å |
| 61 | A | 96 | Very high | 96.1 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -44.5 | -51.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C57 E63 Y64 T65 | C57-A61 PolarHBondContact O-N 2.96Å; A61-E63 PolarHBondContact O-N 2.87Å; A61-Y64 PolarHBondContact O-N 3.15Å; A61-T65 WeakPolarHBondContact O-CG2 3.34Å; A61-T65 PolarHBondContact O-N 3.05Å; A61-T65 PolarHBondContact O-OG1 2.89Å |
| 62 | P | 97.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -33.7 | 178.7 | 25.8 | -35.3 | 0 | 0 | 0 | 113.9 | K58 A59 T65 K66 | K58-P62 VanDerWaalsContact O-CD 3.31Å; K58-P62 WeakPolarHBondContact O-CD 3.41Å; A59-P62 WeakPolarHBondContact O-CD 3.41Å; P62-T65 PolarHBondContact O-OG1 3.21Å; P62-T65 VanDerWaalsContact O-OG1 3.1Å; P62-K66 VanDerWaalsContact O-CB 3.28Å; P62-K66 WeakPolarHBondContact O-CB 3.39Å; P62-K66 PolarHBondContact O-N 3.48Å; P62-K66 VanDerWaalsContact O-N 3.14Å |
| 63 | E | 97.7 | Very high | 96.2 | Very high | 58 Ų | 58 | 59.4 Ų | 59.4 | 27% | 0.271 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -74 | -34.2 | 176 | -68.8 | -59.8 | 137.6 | 0 | 0 | 111.2 | L60 A61 K66 A67 R118 A120 | L60-E63 PolarHBondContact O-N 2.85Å; A61-E63 PolarHBondContact O-N 2.87Å; E63-K66 PolarHBondContact O-N 3.06Å; E63-K66 IonicContact OE2-NZ 3.81Å; E63-A67 WeakPolarHBondContact O-CB 3.45Å; E63-A67 PolarHBondContact O-N 3.33Å; E63-R118 WeakPolarHBondContact CB-O 3.45Å; E63-A120 WeakPolarHBondContact O-CB 3.44Å; E63-A120 WeakPolarHBondContact OE2-CB 3.2Å; E63-A120 PolarHBondContact OE2-N 3.31Å |
| 64 | Y | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 178 | -157.1 | -110.2 | 0 | 0 | 0 | 112.1 | V27 L46 E48 L60 A61 A67 A68 L80 A81 L103 I123 | V27-Y64 HydrophobicContact CG1-CD1 4.05Å; V27-Y64 HydrophobicContact CG1-CE1 3.84Å; V27-Y64 HydrophobicContact CG2-CD1 3.97Å; V27-Y64 HydrophobicContact CG2-CE1 4.4Å; L46-Y64 VanDerWaalsContact C-OH 3.28Å; L46-Y64 HydrophobicContact CD2-CE2 3.76Å; L46-Y64 HydrophobicContact CG-CE2 4.19Å; L46-Y64 WeakPolarHBondContact CG-OH 3.25Å; L46-Y64 PolarHBondContact O-OH 3.17Å; E48-Y64 HydrophobicContact CB-CE1 4.04Å; E48-Y64 HydrophobicContact CB-CE2 4.45Å; E48-Y64 PolarHBondContact N-OH 3.4Å; L60-Y64 HydrophobicContact CD1-CD2 4.38Å; L60-Y64 WeakPolarHBondContact O-CB 3.48Å; L60-Y64 PolarHBondContact O-N 3.25Å; A61-Y64 PolarHBondContact O-N 3.15Å; Y64-A67 PolarHBondContact O-N 3.36Å; Y64-A68 WeakPolarHBondContact O-CB 3.15Å; Y64-A68 PolarHBondContact O-N 3.19Å; Y64-L80 HydrophobicContact CD1-CB 4.44Å; Y64-L80 HydrophobicContact CD1-CD2 4.12Å; Y64-L80 HydrophobicContact CD2-CD2 3.82Å; Y64-L80 HydrophobicContact CE1-CB 3.79Å; Y64-L80 HydrophobicContact CE1-CD2 4.02Å; Y64-L80 HydrophobicContact CE1-CG 4.04Å; Y64-L80 HydrophobicContact CE2-CD2 3.69Å; Y64-L80 HydrophobicContact CE2-CG 3.97Å; Y64-L80 HydrophobicContact CG-CD2 4.04Å; Y64-L80 WeakPolarHBondContact O-CD2 3.45Å; Y64-A81 WeakPolarHBondContact CE1-O 3.4Å; Y64-A81 PolarHBondContact OH-O 2.84Å; Y64-L103 HydrophobicContact CD2-CD2 4.4Å; Y64-L103 HydrophobicContact CE2-CD2 3.81Å; Y64-I123 HydrophobicContact CD2-CD1 4.01Å |
| 65 | T | 98 | Very high | 96.1 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 24% | 0.239 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 174 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | D25 V27 A61 P62 A68 K69 | D25-T65 HydrophobicContact CB-CG2 3.58Å; V27-T65 HydrophobicContact CG2-CG2 3.89Å; A61-T65 WeakPolarHBondContact O-CG2 3.34Å; A61-T65 PolarHBondContact O-N 3.05Å; A61-T65 PolarHBondContact O-OG1 2.89Å; P62-T65 PolarHBondContact O-OG1 3.21Å; P62-T65 VanDerWaalsContact O-OG1 3.1Å; T65-A68 PolarHBondContact O-N 3.48Å; T65-K69 WeakPolarHBondContact O-CB 3.47Å; T65-K69 PolarHBondContact O-N 2.88Å |
| 66 | K | 98 | Very high | 96.2 | Very high | 92 Ų | 92 | 61 Ų | 61 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 172.2 | -178.9 | -177.2 | 166.5 | -157.7 | 0 | 111.9 | P62 E63 A68 K69 M70 A120 | P62-K66 VanDerWaalsContact O-CB 3.28Å; P62-K66 WeakPolarHBondContact O-CB 3.39Å; P62-K66 PolarHBondContact O-N 3.48Å; P62-K66 VanDerWaalsContact O-N 3.14Å; E63-K66 PolarHBondContact O-N 3.06Å; E63-K66 IonicContact OE2-NZ 3.81Å; K66-A68 PolarHBondContact O-N 3.07Å; K66-K69 PolarHBondContact O-N 3.34Å; K66-M70 HydrophobicContact CG-SD 4.25Å; K66-M70 VanDerWaalsContact O-CG 3.3Å; K66-M70 WeakPolarHBondContact O-CG 3.42Å; K66-M70 PolarHBondContact O-N 2.97Å; K66-A120 HydrophobicContact CB-CB 3.93Å; K66-A120 HydrophobicContact CD-CB 3.7Å; K66-A120 HydrophobicContact CG-CB 3.71Å |
| 67 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E63 Y64 K69 M70 L71 L80 A120 I123 V124 | E63-A67 WeakPolarHBondContact O-CB 3.45Å; E63-A67 PolarHBondContact O-N 3.33Å; Y64-A67 PolarHBondContact O-N 3.36Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 3.06Å; A67-M70 PolarHBondContact O-N 3.47Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.98Å; A67-L80 HydrophobicContact CB-CD2 3.81Å; A67-A120 HydrophobicContact CB-CB 4.07Å; A67-I123 HydrophobicContact CB-CB 4.12Å; A67-I123 HydrophobicContact CB-CD1 4.44Å; A67-I123 HydrophobicContact CB-CG2 3.96Å; A67-V124 HydrophobicContact CB-CG2 4.01Å |
| 68 | A | 98.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | N26 V27 Y64 T65 K66 L71 K72 L80 | N26-A68 HydrophobicContact CB-CB 3.94Å; N26-A68 WeakPolarHBondContact O-CB 3.37Å; V27-A68 HydrophobicContact CG2-CB 3.85Å; Y64-A68 WeakPolarHBondContact O-CB 3.15Å; Y64-A68 PolarHBondContact O-N 3.19Å; T65-A68 PolarHBondContact O-N 3.48Å; K66-A68 PolarHBondContact O-N 3.07Å; A68-L71 PolarHBondContact O-N 3.1Å; A68-K72 WeakPolarHBondContact O-CB 3.27Å; A68-K72 PolarHBondContact O-N 3.34Å; A68-L80 HydrophobicContact CB-CB 3.89Å; A68-L80 HydrophobicContact CB-CD2 3.93Å; A68-L80 HydrophobicContact CB-CG 4.43Å |
| 69 | K | 98 | Very high | 96.4 | Very high | 98 Ų | 98 | 57.8 Ų | 57.8 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.3 | -169.5 | -172.4 | -176.7 | -51.2 | 0 | 112 | T65 K66 A67 L71 K72 D73 | T65-K69 WeakPolarHBondContact O-CB 3.47Å; T65-K69 PolarHBondContact O-N 2.88Å; K66-K69 PolarHBondContact O-N 3.34Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 3.06Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L71 PolarHBondContact O-N 3.12Å; K69-K72 PolarHBondContact O-N 2.94Å; K69-D73 IonicContact NZ-OD1 3.16Å; K69-D73 PolarHBondContact NZ-OD1 3.31Å; K69-D73 IonicContact NZ-OD2 2.6Å; K69-D73 PolarHBondContact NZ-OD2 3.07Å; K69-D73 WeakPolarHBondContact O-CB 3.44Å; K69-D73 PolarHBondContact O-N 2.86Å |
| 70 | M | 97.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 178.3 | -71.6 | 166.9 | 66.9 | 0 | 0 | 111.8 | K66 A67 K72 D73 E74 A120 D121 V124 | K66-M70 HydrophobicContact CG-SD 4.25Å; K66-M70 VanDerWaalsContact O-CG 3.3Å; K66-M70 WeakPolarHBondContact O-CG 3.42Å; K66-M70 PolarHBondContact O-N 2.97Å; A67-M70 PolarHBondContact O-N 3.47Å; M70-K72 PolarHBondContact O-N 3.25Å; M70-D73 PolarHBondContact O-N 3.37Å; M70-E74 WeakPolarHBondContact O-CG 3.19Å; M70-E74 PolarHBondContact O-N 2.77Å; M70-E74 VanDerWaalsContact O-N 3.1Å; M70-A120 HydrophobicContact SD-CB 4.01Å; M70-D121 VanDerWaalsContact CE-OD1 3.3Å; M70-D121 WeakPolarHBondContact CE-OD1 3.42Å; M70-V124 HydrophobicContact CB-CG2 4.15Å; M70-V124 HydrophobicContact CE-CG2 4.15Å; M70-V124 HydrophobicContact SD-CG2 4.36Å |
| 71 | L | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.5 | -70.9 | 166.1 | 0 | 0 | 0 | 112 | A67 A68 K69 E74 N75 S76 I78 L80 V124 L127 | A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.98Å; A68-L71 PolarHBondContact O-N 3.1Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L71 PolarHBondContact O-N 3.12Å; L71-E74 PolarHBondContact O-N 3.15Å; L71-N75 PolarHBondContact O-N 3.18Å; L71-S76 WeakPolarHBondContact O-CB 3.21Å; L71-S76 PolarHBondContact O-N 3.24Å; L71-I78 HydrophobicContact CD1-CB 4.1Å; L71-I78 HydrophobicContact CD1-CG2 3.92Å; L71-I78 HydrophobicContact CD2-CB 4.19Å; L71-I78 HydrophobicContact CD2-CD1 4.05Å; L71-L80 HydrophobicContact CD1-CD1 3.39Å; L71-V124 HydrophobicContact CD1-CG2 4.45Å; L71-V124 HydrophobicContact CD2-CG1 4.05Å; L71-V124 HydrophobicContact CD2-CG2 4.36Å; L71-V124 HydrophobicContact CG-CG2 4.05Å; L71-L127 HydrophobicContact CD1-CD1 3.93Å |
| 72 | K | 94.9 | Very high | 96.7 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.6 | -170.5 | 176.2 | -175.2 | 171 | 0 | 112.3 | E23 N26 A68 K69 M70 E74 N75 | E23-K72 IonicContact OE1-NZ 2.56Å; E23-K72 PolarHBondContact OE1-NZ 3.23Å; N26-K72 HydrophobicContact CB-CD 4.24Å; N26-K72 WeakPolarHBondContact OD1-CD 3.47Å; N26-K72 PolarHBondContact OD1-NZ 2.86Å; A68-K72 WeakPolarHBondContact O-CB 3.27Å; A68-K72 PolarHBondContact O-N 3.34Å; K69-K72 PolarHBondContact O-N 2.94Å; M70-K72 PolarHBondContact O-N 3.25Å; K72-E74 PolarHBondContact O-N 2.86Å; K72-N75 WeakPolarHBondContact O-CA 3.46Å; K72-N75 PolarHBondContact O-N 2.8Å |
| 73 | D | 96.3 | Very high | 96.8 | Very high | 109 Ų | 109 | 50.8 Ų | 50.8 | 58% | 0.583 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.1 | -32.6 | 177.9 | -70.2 | -14.9 | 0 | 0 | 0 | 111.6 | K69 M70 N75 | K69-D73 IonicContact NZ-OD1 3.16Å; K69-D73 PolarHBondContact NZ-OD1 3.31Å; K69-D73 IonicContact NZ-OD2 2.6Å; K69-D73 PolarHBondContact NZ-OD2 3.07Å; K69-D73 WeakPolarHBondContact O-CB 3.44Å; K69-D73 PolarHBondContact O-N 2.86Å; M70-D73 PolarHBondContact O-N 3.37Å; D73-N75 PolarHBondContact O-N 3.3Å |
| 74 | E | 93.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 3.7 | 174 | -68.9 | -178.8 | -173.4 | 0 | 0 | 114 | M70 L71 K72 S76 K128 | M70-E74 WeakPolarHBondContact O-CG 3.19Å; M70-E74 PolarHBondContact O-N 2.77Å; M70-E74 VanDerWaalsContact O-N 3.1Å; L71-E74 PolarHBondContact O-N 3.15Å; K72-E74 PolarHBondContact O-N 2.86Å; E74-S76 PolarHBondContact O-N 2.83Å; E74-K128 IonicContact OE1-NZ 3.4Å; E74-K128 PolarHBondContact OE1-NZ 3.31Å; E74-K128 WeakPolarHBondContact OE2-CE 3.42Å; E74-K128 IonicContact OE2-NZ 2.68Å; E74-K128 PolarHBondContact OE2-NZ 2.85Å |
| 75 | N | 92.1 | Very high | 96.7 | Very high | 148 Ų | 148 | 49.4 Ų | 49.4 | 79% | 0.791 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 40.2 | -175.7 | -162.5 | 54.9 | 0 | 0 | 0 | 112.9 | L71 K72 D73 | L71-N75 PolarHBondContact O-N 3.18Å; K72-N75 WeakPolarHBondContact O-CA 3.46Å; K72-N75 PolarHBondContact O-N 2.8Å; D73-N75 PolarHBondContact O-N 3.3Å |
| 76 | S | 92.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | trans | -76.4 | 144.3 | 178.1 | -166.9 | 0 | 0 | 0 | 0 | 112 | L71 E74 I78 | L71-S76 WeakPolarHBondContact O-CB 3.21Å; L71-S76 PolarHBondContact O-N 3.24Å; E74-S76 PolarHBondContact O-N 2.83Å; S76-I78 PolarHBondContact O-N 2.97Å; S76-I78 WeakPolarHBondContact OG-CG1 3.24Å; S76-I78 PolarHBondContact OG-N 3Å | ||
| 77 | D | 92.7 | Very high | 96.4 | Very high | 113 Ų | 113 | 50.4 Ų | 50.4 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -71.9 | -6.5 | 171.3 | -67.2 | -28.6 | 0 | 0 | 0 | 113 | F44 | F44-D77 HydrophobicContact CD2-CB 4.27Š|
| 78 | I | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.2 | -178 | -50.3 | 174.8 | 0 | 0 | 0 | 110.1 | F44 L71 S76 L80 L127 T131 | F44-I78 HydrophobicContact CB-CB 4.35Å; F44-I78 HydrophobicContact CB-CG1 4.05Å; F44-I78 HydrophobicContact CB-CG2 4.32Å; F44-I78 HydrophobicContact CD2-CG1 4.2Å; F44-I78 HydrophobicContact CG-CG1 4.47Å; F44-I78 WeakPolarHBondContact O-CA 3.46Å; L71-I78 HydrophobicContact CD1-CB 4.1Å; L71-I78 HydrophobicContact CD1-CG2 3.92Å; L71-I78 HydrophobicContact CD2-CB 4.19Å; L71-I78 HydrophobicContact CD2-CD1 4.05Å; S76-I78 PolarHBondContact O-N 2.97Å; S76-I78 WeakPolarHBondContact OG-CG1 3.24Å; S76-I78 PolarHBondContact OG-N 3Å; I78-L80 HydrophobicContact CG2-CD1 4.46Å; I78-L127 HydrophobicContact CD1-CB 3.93Å; I78-L127 HydrophobicContact CG2-CB 4.2Å; I78-L127 HydrophobicContact CG2-CD1 3.88Å; I78-L127 HydrophobicContact CG2-CD2 4.23Å; I78-L127 HydrophobicContact CG2-CG 4.33Å; I78-T131 HydrophobicContact CD1-CG2 3.77Å; I78-T131 WeakPolarHBondContact CD1-OG1 3.46Å; I78-T131 HydrophobicContact CG1-CG2 3.94Å |
| 79 | K | 97.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 149.5 | 174.5 | -57.3 | -49 | -180 | -170.1 | 0 | 112 | L28 N42 F44 I45 L46 | L28-K79 HydrophobicContact CD1-CB 4.12Å; L28-K79 HydrophobicContact CD1-CG 4.4Å; N42-K79 HydrophobicContact CB-CG 4.33Å; N42-K79 WeakPolarHBondContact OD1-CG 3.4Å; F44-K79 PolarHBondContact O-N 2.89Å; I45-K79 CarbonylContact C-O 3.52Å; I45-K79 VanDerWaalsContact CA-O 3.28Å; I45-K79 WeakPolarHBondContact CA-O 3.18Å; I45-K79 HydrophobicContact CB-CB 4.38Å; I45-K79 HydrophobicContact CD1-CB 4.45Å; I45-K79 HydrophobicContact CG1-CB 4.12Å; L46-K79 PolarHBondContact N-O 2.88Å |
| 80 | L | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.4 | 168.9 | -88.9 | 62.2 | 0 | 0 | 0 | 108.5 | V27 L28 L46 Y64 A67 A68 L71 I78 I123 L127 | V27-L80 WeakPolarHBondContact CA-O 3.42Å; L28-L80 PolarHBondContact N-O 2.96Å; L46-L80 HydrophobicContact CB-CD1 4.29Å; L46-L80 HydrophobicContact CB-CG 4.27Å; L46-L80 HydrophobicContact CD2-CG 4.46Å; L46-L80 CarbonylContact O-C 3.56Å; L46-L80 WeakPolarHBondContact O-CA 3.33Å; Y64-L80 HydrophobicContact CD1-CB 4.44Å; Y64-L80 HydrophobicContact CD1-CD2 4.12Å; Y64-L80 HydrophobicContact CD2-CD2 3.82Å; Y64-L80 HydrophobicContact CE1-CB 3.79Å; Y64-L80 HydrophobicContact CE1-CD2 4.02Å; Y64-L80 HydrophobicContact CE1-CG 4.04Å; Y64-L80 HydrophobicContact CE2-CD2 3.69Å; Y64-L80 HydrophobicContact CE2-CG 3.97Å; Y64-L80 HydrophobicContact CG-CD2 4.04Å; Y64-L80 WeakPolarHBondContact O-CD2 3.45Å; A67-L80 HydrophobicContact CB-CD2 3.81Å; A68-L80 HydrophobicContact CB-CB 3.89Å; A68-L80 HydrophobicContact CB-CD2 3.93Å; A68-L80 HydrophobicContact CB-CG 4.43Å; L71-L80 HydrophobicContact CD1-CD1 3.39Å; I78-L80 HydrophobicContact CG2-CD1 4.46Å; L80-I123 HydrophobicContact CD2-CG2 4.37Å; L80-L127 HydrophobicContact CD1-CD1 3.77Å |
| 81 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 160.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.1 | L28 L30 I45 L46 V47 E48 Y64 | L28-A81 HydrophobicContact CB-CB 3.9Å; L28-A81 CarbonylContact O-C 3.57Å; L28-A81 WeakPolarHBondContact O-CA 3.34Å; L30-A81 HydrophobicContact CD1-CB 3.62Å; L30-A81 HydrophobicContact CG-CB 3.91Å; I45-A81 HydrophobicContact CD1-CB 3.88Å; I45-A81 HydrophobicContact CG1-CB 4.01Å; L46-A81 PolarHBondContact O-N 3.18Å; V47-A81 CarbonylContact C-O 3.43Å; V47-A81 WeakPolarHBondContact CA-O 3.4Å; V47-A81 HydrophobicContact CG2-CB 4.18Å; E48-A81 PolarHBondContact N-O 3.12Å; Y64-A81 WeakPolarHBondContact CE1-O 3.4Å; Y64-A81 PolarHBondContact OH-O 2.84Å |
| 82 | K | 98.5 | Very high | 95.7 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.6 | 176.9 | 66.8 | -177.6 | 179 | 179.1 | 0 | 111.7 | E24 V27 L28 L30 E48 Y50 | E24-K82 WeakPolarHBondContact OE2-CE 3.31Å; E24-K82 IonicContact OE2-NZ 2.77Å; E24-K82 PolarHBondContact OE2-NZ 3.22Å; V27-K82 HydrophobicContact CG1-CB 4.04Å; V27-K82 HydrophobicContact CG1-CD 4.14Å; V27-K82 HydrophobicContact CG1-CG 3.92Å; L28-K82 PolarHBondContact O-N 2.93Å; L30-K82 PolarHBondContact N-O 3.48Å; E48-K82 HydrophobicContact CB-CB 4.43Å; E48-K82 CarbonylContact O-C 3.54Å; E48-K82 VanDerWaalsContact O-CA 3.27Å; E48-K82 WeakPolarHBondContact O-CA 3.23Å; Y50-K82 HydrophobicContact CD1-CB 4.03Å; Y50-K82 HydrophobicContact CE1-CB 3.89Å; Y50-K82 HydrophobicContact CE1-CD 4.03Å; Y50-K82 HydrophobicContact CE1-CG 4.01Å |
| 83 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125.6 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | L30 F35 V47 E48 F49 Y50 A85 E88 L91 | L30-V83 HydrophobicContact CB-CG2 3.71Å; F35-V83 HydrophobicContact CD2-CG2 3.9Å; F35-V83 HydrophobicContact CE2-CG2 3.86Å; V47-V83 HydrophobicContact CG1-CG2 3.79Å; E48-V83 PolarHBondContact O-N 2.84Å; F49-V83 WeakPolarHBondContact CA-O 3.21Å; F49-V83 HydrophobicContact CD1-CB 3.84Å; F49-V83 HydrophobicContact CD1-CG1 3.9Å; F49-V83 HydrophobicContact CD1-CG2 4.46Å; F49-V83 HydrophobicContact CE1-CB 3.98Å; F49-V83 HydrophobicContact CE1-CG1 3.95Å; F49-V83 HydrophobicContact CE1-CG2 4.15Å; Y50-V83 WeakPolarHBondContact CD1-O 3.43Å; Y50-V83 VanDerWaalsContact CE1-C 3.46Å; Y50-V83 PolarHBondContact N-O 3.33Å; V83-A85 PolarHBondContact O-N 2.92Å; V83-A85 VanDerWaalsContact O-N 3.09Å; V83-E88 HydrophobicContact CG1-CB 3.71Å; V83-E88 HydrophobicContact CG1-CG 3.98Å; V83-L91 HydrophobicContact CG1-CD1 4.15Å |
| 84 | D | 97.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.16 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 97.3 | 168.6 | -171.7 | -24.8 | 0 | 0 | 0 | 109.1 | Y50 P52 T86 V87 E88 | Y50-D84 HydrophobicContact CE1-CB 4.15Å; Y50-D84 HydrophobicContact CE2-CB 4.37Å; P52-D84 WeakPolarHBondContact CD-OD1 3.32Å; P52-D84 WeakPolarHBondContact CD-OD2 3.44Å; P52-D84 WeakPolarHBondContact CG-OD2 3.37Å; D84-T86 PolarHBondContact O-N 2.88Å; D84-T86 WeakPolarHBondContact OD1-CA 3.38Å; D84-T86 WeakPolarHBondContact OD1-CB 3.4Å; D84-T86 PolarHBondContact OD1-N 3.34Å; D84-T86 PolarHBondContact OD1-OG1 2.89Å; D84-V87 HydrophobicContact CB-CB 4.42Å; D84-V87 HydrophobicContact CB-CG2 4.43Å; D84-V87 PolarHBondContact O-N 3.24Å; D84-V87 VanDerWaalsContact O-N 3.13Å; D84-V87 PolarHBondContact OD1-N 3.32Å; D84-E88 WeakPolarHBondContact O-CB 3.48Å; D84-E88 PolarHBondContact O-N 3.05Å |
| 85 | A | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F49 Y50 V83 V87 A92 Y100 | F49-A85 HydrophobicContact CB-CB 4.27Å; F49-A85 HydrophobicContact CD1-CB 4.4Å; Y50-A85 PolarHBondContact O-N 2.87Å; V83-A85 PolarHBondContact O-N 2.92Å; V83-A85 VanDerWaalsContact O-N 3.09Å; A85-V87 VanDerWaalsContact C-N 3.35Å; A85-A92 HydrophobicContact CB-CB 3.87Å; A85-Y100 HydrophobicContact CB-CD1 4.33Å; A85-Y100 HydrophobicContact CB-CE1 3.39Å |
| 86 | T | 93.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -20.5 | 173.3 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | A51 D84 | A51-T86 HydrophobicContact CB-CG2 3.44Å; A51-T86 VanDerWaalsContact CB-CG2 3.44Å; D84-T86 PolarHBondContact O-N 2.88Å; D84-T86 WeakPolarHBondContact OD1-CA 3.38Å; D84-T86 WeakPolarHBondContact OD1-CB 3.4Å; D84-T86 PolarHBondContact OD1-N 3.34Å; D84-T86 PolarHBondContact OD1-OG1 2.89Å |
| 87 | V | 95.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 58% | 0.582 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -45.4 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | D84 A85 T89 | D84-V87 HydrophobicContact CB-CB 4.42Å; D84-V87 HydrophobicContact CB-CG2 4.43Å; D84-V87 PolarHBondContact O-N 3.24Å; D84-V87 VanDerWaalsContact O-N 3.13Å; D84-V87 PolarHBondContact OD1-N 3.32Å; A85-V87 VanDerWaalsContact C-N 3.35Å; V87-T89 VanDerWaalsContact C-N 3.31Å; V87-T89 PolarHBondContact O-N 3.27Å |
| 88 | E | 96.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | trans | -92.2 | 54.8 | -175.6 | -57.2 | -63.6 | 148.8 | 0 | 0 | 111.6 | N31 T32 V83 D84 T90 L91 A92 | N31-E88 HydrophobicContact CB-CG 4.22Å; N31-E88 WeakPolarHBondContact CB-OE1 3.24Å; T32-E88 VanDerWaalsContact CB-OE2 3.29Å; T32-E88 WeakPolarHBondContact CB-OE2 3.41Å; T32-E88 PolarHBondContact N-OE2 3.26Å; T32-E88 PolarHBondContact OG1-OE2 3.21Å; V83-E88 HydrophobicContact CG1-CB 3.71Å; V83-E88 HydrophobicContact CG1-CG 3.98Å; D84-E88 WeakPolarHBondContact O-CB 3.48Å; D84-E88 PolarHBondContact O-N 3.05Å; E88-T90 VanDerWaalsContact C-N 3.28Å; E88-T90 PolarHBondContact O-N 3.37Å; E88-L91 HydrophobicContact CB-CB 4.34Å; E88-L91 HydrophobicContact CB-CD1 4.17Å; E88-L91 PolarHBondContact O-N 3.5Å; E88-A92 PolarHBondContact O-N 3.43Å; E88-A92 VanDerWaalsContact O-N 3.09Å | ||
| 89 | T | 93.8 | Very high | 95 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 53% | 0.534 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -35.1 | -172.1 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | V87 L91 A92 E93 | V87-T89 VanDerWaalsContact C-N 3.31Å; V87-T89 PolarHBondContact O-N 3.27Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.29Å; T89-A92 WeakPolarHBondContact O-CB 3.4Å; T89-A92 PolarHBondContact O-N 2.88Å; T89-E93 PolarHBondContact O-N 3.34Å |
| 90 | T | 93.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 176.1 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | E88 K94 | E88-T90 VanDerWaalsContact C-N 3.28Å; E88-T90 PolarHBondContact O-N 3.37Å; T90-K94 VanDerWaalsContact O-CB 3.29Å; T90-K94 WeakPolarHBondContact O-CB 3.5Å; T90-K94 PolarHBondContact O-N 3.33Å |
| 91 | L | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.2 | -41 | 174 | -74.1 | 177.3 | 0 | 0 | 0 | 110.8 | F35 F49 V83 E88 T89 E93 K94 Y95 | F35-L91 HydrophobicContact CB-CD1 4Å; F35-L91 HydrophobicContact CB-CD2 4.12Å; F35-L91 HydrophobicContact CD1-CD2 4.3Å; F35-L91 HydrophobicContact CD2-CD1 3.74Å; F35-L91 HydrophobicContact CD2-CD2 4.22Å; F35-L91 HydrophobicContact CG-CD1 4.06Å; F35-L91 HydrophobicContact CG-CD2 3.95Å; F49-L91 HydrophobicContact CE1-CB 4.19Å; V83-L91 HydrophobicContact CG1-CD1 4.15Å; E88-L91 HydrophobicContact CB-CB 4.34Å; E88-L91 HydrophobicContact CB-CD1 4.17Å; E88-L91 PolarHBondContact O-N 3.5Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.29Å; L91-E93 VanDerWaalsContact C-N 3.31Å; L91-E93 PolarHBondContact O-N 3.1Å; L91-K94 PolarHBondContact O-N 3.16Å; L91-Y95 HydrophobicContact CD2-CE2 4.08Å; L91-Y95 VanDerWaalsContact O-CD2 3.3Å; L91-Y95 WeakPolarHBondContact O-CD2 3.35Å; L91-Y95 PolarHBondContact O-N 3.01Å |
| 92 | A | 94.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A85 E88 T89 E96 V97 | A85-A92 HydrophobicContact CB-CB 3.87Å; E88-A92 PolarHBondContact O-N 3.43Å; E88-A92 VanDerWaalsContact O-N 3.09Å; T89-A92 WeakPolarHBondContact O-CB 3.4Å; T89-A92 PolarHBondContact O-N 2.88Å; A92-E96 PolarHBondContact O-N 2.87Å; A92-E96 VanDerWaalsContact O-N 3.15Å; A92-V97 HydrophobicContact CB-CB 4.14Å; A92-V97 HydrophobicContact CB-CG2 4.47Å; A92-V97 WeakPolarHBondContact O-CB 3.39Å; A92-V97 PolarHBondContact O-N 2.81Å |
| 93 | E | 92.9 | Very high | 94.6 | Very high | 157 Ų | 157 | 58.3 Ų | 58.3 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.4 | -48.7 | 174.8 | -172.8 | 175.4 | -171.5 | 0 | 0 | 112 | T89 L91 Y95 E96 | T89-E93 PolarHBondContact O-N 3.34Å; L91-E93 VanDerWaalsContact C-N 3.31Å; L91-E93 PolarHBondContact O-N 3.1Å; E93-Y95 PolarHBondContact O-N 3.46Å; E93-Y95 VanDerWaalsContact O-N 3.14Å; E93-E96 PolarHBondContact O-N 2.89Å |
| 94 | K | 93.7 | Very high | 94.4 | Very high | 113 Ų | 113 | 59 Ų | 59 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.1 | -37.6 | 177.6 | 177.6 | -179.6 | 175.6 | -177.6 | 0 | 112.5 | D36 T90 L91 | D36-K94 IonicContact OD1-NZ 3.94Å; D36-K94 PolarHBondContact OD1-NZ 3.23Å; D36-K94 IonicContact OD2-NZ 3.03Å; T90-K94 VanDerWaalsContact O-CB 3.29Å; T90-K94 WeakPolarHBondContact O-CB 3.5Å; T90-K94 PolarHBondContact O-N 3.33Å; L91-K94 PolarHBondContact O-N 3.16Å |
| 95 | Y | 93.2 | Very high | 94.3 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 16.9 | -178.7 | -63.8 | -65.4 | 0 | 0 | 0 | 113.8 | F35 F49 L91 E93 V97 K104 F106 M111 | F35-Y95 HydrophobicContact CD1-CE2 4.08Å; F35-Y95 HydrophobicContact CE1-CD2 4.5Å; F35-Y95 AromaticContact CE1-CE2 3.4Å; F35-Y95 HydrophobicContact CE1-CE2 3.4Å; F35-Y95 VanDerWaalsContact CE1-CE2 3.4Å; F35-Y95 AromaticContact CE1-CZ 3.5Å; F35-Y95 WeakPolarHBondContact CE1-OH 3.47Å; F35-Y95 HydrophobicContact CE2-CE2 4.27Å; F35-Y95 HydrophobicContact CZ-CD2 4.22Å; F35-Y95 AromaticContact CZ-CE2 3.51Å; F35-Y95 HydrophobicContact CZ-CE2 3.51Å; F35-Y95 AromaticContact CZ-CZ 3.93Å; F49-Y95 HydrophobicContact CE1-CD2 4.19Å; F49-Y95 HydrophobicContact CE2-CD2 4.46Å; F49-Y95 AromaticContact CZ-CD2 3.58Å; F49-Y95 HydrophobicContact CZ-CD2 3.58Å; F49-Y95 HydrophobicContact CZ-CE2 4.31Å; F49-Y95 HydrophobicContact CZ-CG 4.12Å; L91-Y95 HydrophobicContact CD2-CE2 4.08Å; L91-Y95 VanDerWaalsContact O-CD2 3.3Å; L91-Y95 WeakPolarHBondContact O-CD2 3.35Å; L91-Y95 PolarHBondContact O-N 3.01Å; E93-Y95 PolarHBondContact O-N 3.46Å; E93-Y95 VanDerWaalsContact O-N 3.14Å; Y95-V97 VanDerWaalsContact C-N 3.3Å; Y95-V97 PolarHBondContact O-N 3.26Å; Y95-K104 WeakPolarHBondContact O-CE 3.35Å; Y95-F106 HydrophobicContact CD1-CE1 4.48Å; Y95-F106 HydrophobicContact CD1-CZ 4.18Å; Y95-F106 AromaticContact CE1-CE1 3.74Å; Y95-F106 HydrophobicContact CE1-CE1 3.74Å; Y95-F106 AromaticContact CE1-CZ 3.76Å; Y95-F106 HydrophobicContact CE1-CZ 3.76Å; Y95-F106 HydrophobicContact CE2-CZ 4.44Å; Y95-F106 AromaticContact CZ-CE1 3.99Å; Y95-F106 AromaticContact CZ-CZ 3.9Å; Y95-M111 HydrophobicContact CD1-CE 3.97Å |
| 96 | E | 92 | Very high | 94.2 | Very high | 139 Ų | 139 | 57.6 Ų | 57.6 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 43.9 | 174.5 | -55.2 | -172.1 | 160.7 | 0 | 0 | 113.9 | A92 E93 R98 | A92-E96 PolarHBondContact O-N 2.87Å; A92-E96 VanDerWaalsContact O-N 3.15Å; E93-E96 PolarHBondContact O-N 2.89Å; E96-R98 PolarHBondContact O-N 3.1Å; E96-R98 VanDerWaalsContact O-N 3.15Å |
| 97 | V | 91.5 | Very high | 94 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | trans | -74.1 | 105.9 | 179.5 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | F49 A92 Y95 Y100 T102 | F49-V97 HydrophobicContact CB-CG1 4.03Å; F49-V97 HydrophobicContact CB-CG2 3.86Å; F49-V97 HydrophobicContact CD1-CG2 3.9Å; F49-V97 HydrophobicContact CD2-CG2 4.02Å; F49-V97 HydrophobicContact CE1-CG2 4.46Å; F49-V97 HydrophobicContact CG-CG2 3.65Å; A92-V97 HydrophobicContact CB-CB 4.14Å; A92-V97 HydrophobicContact CB-CG2 4.47Å; A92-V97 WeakPolarHBondContact O-CB 3.39Å; A92-V97 PolarHBondContact O-N 2.81Å; Y95-V97 VanDerWaalsContact C-N 3.3Å; Y95-V97 PolarHBondContact O-N 3.26Å; V97-Y100 HydrophobicContact CG1-CD1 4.03Å; V97-Y100 HydrophobicContact CG1-CE1 3.59Å; V97-T102 HydrophobicContact CG2-CG2 4.32Å | ||
| 98 | R | 90.2 | Very high | 93.5 | Very high | 225 Ų | 225 | 56.6 Ų | 56.6 | 85% | 0.849 | 28% | 0.275 | S | S | * | . | trans | -99.7 | -4.3 | -178.3 | -58.8 | -175 | -172.2 | -162.6 | 1.2 | 114.5 | E96 | E96-R98 PolarHBondContact O-N 3.1Å; E96-R98 VanDerWaalsContact O-N 3.15Å | ||
| 99 | G | 91.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 56.7 Ų | 56.7 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -171.1 | 172.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | T102 | G99-T102 PolarHBondContact O-OG1 2.78Š|
| 100 | Y | 94 | Very high | 92.4 | Very high | 63 Ų | 63 | 56 Ų | 56 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -130.2 | 140.6 | -171.2 | -52.3 | -61.4 | 0 | 0 | 0 | 113 | A51 W53 C54 A85 V97 | A51-Y100 HydrophobicContact CB-CD1 4.44Å; A51-Y100 HydrophobicContact CB-CD2 3.48Å; A51-Y100 VanDerWaalsContact CB-CD2 3.48Å; A51-Y100 HydrophobicContact CB-CE2 3.79Å; A51-Y100 HydrophobicContact CB-CG 3.84Å; W53-Y100 HydrophobicContact CH2-CD2 4.25Å; W53-Y100 HydrophobicContact CH2-CE2 4.44Å; W53-Y100 HydrophobicContact CZ2-CD2 4.46Å; W53-Y100 HydrophobicContact CZ2-CE2 4.32Å; C54-Y100 PolarHBondContact SG-O 3.01Å; A85-Y100 HydrophobicContact CB-CD1 4.33Å; A85-Y100 HydrophobicContact CB-CE1 3.39Å; V97-Y100 HydrophobicContact CG1-CD1 4.03Å; V97-Y100 HydrophobicContact CG1-CE1 3.59Å |
| 101 | P | 95.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | S | Bend | cis | -74.2 | 143.8 | -11 | 30.9 | -33.7 | 0 | 0 | 0 | 111 | E48 F49 L60 L103 | E48-P101 HydrophobicContact CG-CB 4.04Å; F49-P101 WeakPolarHBondContact O-CA 3.19Å; L60-P101 HydrophobicContact CD2-CB 3.94Å; L60-P101 HydrophobicContact CD2-CG 3.77Å; P101-L103 HydrophobicContact CB-CD1 3.93Å; P101-L103 HydrophobicContact CG-CD1 4.26Å |
| 102 | T | 96.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.4 | 166.3 | -69.4 | 0 | 0 | 0 | 0 | 108.4 | F49 V97 G99 K104 | F49-T102 PolarHBondContact N-O 2.97Å; F49-T102 PolarHBondContact O-N 2.79Å; V97-T102 HydrophobicContact CG2-CG2 4.32Å; G99-T102 PolarHBondContact O-OG1 2.78Å; T102-K104 HydrophobicContact CG2-CD 4.05Å; T102-K104 HydrophobicContact CG2-CG 4.35Å |
| 103 | L | 97.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.4 | -178.4 | -74.9 | 81.9 | 0 | 0 | 0 | 109.5 | L46 V47 E48 L60 Y64 P101 Y114 | L46-L103 HydrophobicContact CD1-CB 4.26Å; L46-L103 HydrophobicContact CD1-CD2 4.48Å; L46-L103 HydrophobicContact CD2-CD2 4.08Å; L46-L103 HydrophobicContact CG-CD2 4.37Å; V47-L103 CarbonylContact O-C 3.6Å; V47-L103 VanDerWaalsContact O-CA 3.32Å; V47-L103 WeakPolarHBondContact O-CA 3.32Å; E48-L103 HydrophobicContact CB-CG 4.39Å; E48-L103 HydrophobicContact CG-CD1 4.39Å; E48-L103 HydrophobicContact CG-CG 4.42Å; L60-L103 HydrophobicContact CD2-CD1 3.79Å; L60-L103 HydrophobicContact CD2-CD2 4.32Å; Y64-L103 HydrophobicContact CD2-CD2 4.4Å; Y64-L103 HydrophobicContact CE2-CD2 3.81Å; P101-L103 HydrophobicContact CB-CD1 3.93Å; P101-L103 HydrophobicContact CG-CD1 4.26Å; L103-Y114 HydrophobicContact CB-CD1 3.95Å; L103-Y114 HydrophobicContact CB-CG 4.01Å; L103-Y114 HydrophobicContact CD2-CD1 3.91Å; L103-Y114 HydrophobicContact CD2-CE1 4.28Å; L103-Y114 HydrophobicContact CD2-CG 4.32Å; L103-Y114 HydrophobicContact CG-CD1 4.47Å; L103-Y114 WeakPolarHBondContact O-CB 3.44Å; L103-Y114 PolarHBondContact O-N 2.9Å |
| 104 | K | 96.2 | Very high | 91.2 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.9 | 177.6 | -56.1 | -59.3 | -166.1 | -176.7 | 0 | 108.6 | V47 F49 Y95 T102 F106 M111 E113 | V47-K104 PolarHBondContact N-O 2.85Å; V47-K104 PolarHBondContact O-N 2.92Å; F49-K104 HydrophobicContact CD2-CG 4.1Å; F49-K104 HydrophobicContact CE2-CB 4.18Å; F49-K104 HydrophobicContact CE2-CG 3.84Å; Y95-K104 WeakPolarHBondContact O-CE 3.35Å; T102-K104 HydrophobicContact CG2-CD 4.05Å; T102-K104 HydrophobicContact CG2-CG 4.35Å; K104-F106 HydrophobicContact CB-CE2 3.83Å; K104-F106 HydrophobicContact CB-CZ 4.26Å; K104-M111 HydrophobicContact CB-CG 4.07Å; K104-M111 HydrophobicContact CB-SD 4.36Å; K104-M111 HydrophobicContact CD-SD 3.83Å; K104-M111 HydrophobicContact CG-SD 4.34Å; K104-E113 IonicContact NZ-OE1 3.2Å; K104-E113 PolarHBondContact NZ-OE1 2.87Å; K104-E113 IonicContact NZ-OE2 2.73Å |
| 105 | F | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.1 | 176.7 | -180 | -125.1 | 0 | 0 | 0 | 109.9 | F44 I45 L46 K107 M111 I112 W126 L127 K130 T131 | F44-F105 HydrophobicContact CB-CE2 4.04Å; F44-F105 HydrophobicContact CB-CZ 3.99Å; F44-F105 HydrophobicContact CD1-CZ 4.16Å; F44-F105 HydrophobicContact CG-CZ 4.42Å; I45-F105 WeakPolarHBondContact O-CD2 3.47Å; L46-F105 HydrophobicContact CB-CD2 4.14Å; L46-F105 HydrophobicContact CD1-CB 3.78Å; L46-F105 HydrophobicContact CD1-CD2 4.38Å; F105-K107 HydrophobicContact CD1-CB 4.34Å; F105-K107 HydrophobicContact CE1-CB 3.75Å; F105-K107 HydrophobicContact CE1-CG 4.25Å; F105-K107 HydrophobicContact CZ-CB 4.2Å; F105-M111 CarbonylContact O-C 3.58Å; F105-I112 HydrophobicContact CD1-CD1 4.26Å; F105-I112 PolarHBondContact N-O 3.23Å; F105-I112 PolarHBondContact O-N 3.37Å; F105-W126 HydrophobicContact CB-CH2 4.05Å; F105-W126 HydrophobicContact CB-CZ3 3.85Å; F105-W126 HydrophobicContact CD1-CH2 4.09Å; F105-W126 AromaticContact CD1-CZ3 3.7Å; F105-W126 HydrophobicContact CD1-CZ3 3.7Å; F105-W126 HydrophobicContact CE1-CZ3 4.47Å; F105-W126 HydrophobicContact CG-CH2 4.34Å; F105-W126 AromaticContact CG-CZ3 3.82Å; F105-W126 HydrophobicContact CG-CZ3 3.82Å; F105-L127 HydrophobicContact CD2-CD2 3.43Å; F105-L127 VanDerWaalsContact CD2-CD2 3.43Å; F105-L127 HydrophobicContact CE2-CD2 3.49Å; F105-L127 VanDerWaalsContact CE2-CD2 3.49Å; F105-L127 HydrophobicContact CG-CD2 4.03Å; F105-L127 HydrophobicContact CZ-CD2 4.11Å; F105-K130 HydrophobicContact CD1-CB 4.38Å; F105-K130 HydrophobicContact CE1-CB 3.88Å; F105-T131 HydrophobicContact CE1-CG2 4.31Å; F105-T131 HydrophobicContact CE2-CG2 4.5Å; F105-T131 HydrophobicContact CZ-CG2 3.59Å |
| 106 | F | 93.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.7 | 175.7 | -59.9 | -101.8 | 0 | 0 | 0 | 108.8 | F35 I39 F44 I45 V47 Y95 K104 N110 M111 | F35-F106 HydrophobicContact CE1-CE1 4.33Å; F35-F106 HydrophobicContact CE1-CE2 4.46Å; F35-F106 AromaticContact CE1-CZ 3.95Å; F35-F106 HydrophobicContact CE1-CZ 3.95Å; F35-F106 HydrophobicContact CZ-CE1 4.48Å; F35-F106 AromaticContact CZ-CE2 3.89Å; F35-F106 HydrophobicContact CZ-CE2 3.89Å; F35-F106 AromaticContact CZ-CZ 3.68Å; F35-F106 HydrophobicContact CZ-CZ 3.68Å; I39-F106 HydrophobicContact CD1-CB 4.11Å; I39-F106 HydrophobicContact CD1-CD1 4.06Å; I39-F106 HydrophobicContact CD1-CD2 3.64Å; I39-F106 HydrophobicContact CD1-CE1 4.39Å; I39-F106 HydrophobicContact CD1-CE2 4.03Å; I39-F106 HydrophobicContact CD1-CG 3.67Å; I39-F106 HydrophobicContact CD1-CZ 4.4Å; I39-F106 HydrophobicContact CG1-CD1 4.27Å; I39-F106 HydrophobicContact CG1-CE1 4.47Å; I39-F106 HydrophobicContact CG1-CG 4.36Å; I39-F106 HydrophobicContact CG2-CB 4.08Å; I39-F106 HydrophobicContact CG2-CD1 3.92Å; I39-F106 HydrophobicContact CG2-CG 4.18Å; F44-F106 WeakPolarHBondContact CA-O 3.29Å; I45-F106 HydrophobicContact CG2-CB 3.72Å; I45-F106 HydrophobicContact CG2-CD2 4.38Å; I45-F106 HydrophobicContact CG2-CG 4.38Å; I45-F106 PolarHBondContact N-O 2.79Å; I45-F106 PolarHBondContact O-N 2.92Å; V47-F106 HydrophobicContact CB-CE2 4.11Å; V47-F106 HydrophobicContact CG2-CD2 3.79Å; V47-F106 HydrophobicContact CG2-CE2 3.62Å; Y95-F106 HydrophobicContact CD1-CE1 4.48Å; Y95-F106 HydrophobicContact CD1-CZ 4.18Å; Y95-F106 AromaticContact CE1-CE1 3.74Å; Y95-F106 HydrophobicContact CE1-CE1 3.74Å; Y95-F106 AromaticContact CE1-CZ 3.76Å; Y95-F106 HydrophobicContact CE1-CZ 3.76Å; Y95-F106 HydrophobicContact CE2-CZ 4.44Å; Y95-F106 AromaticContact CZ-CE1 3.99Å; Y95-F106 AromaticContact CZ-CZ 3.9Å; K104-F106 HydrophobicContact CB-CE2 3.83Å; K104-F106 HydrophobicContact CB-CZ 4.26Å; F106-N110 CarbonylContact C-O 3.58Å; F106-N110 VanDerWaalsContact CA-O 3.32Å; F106-N110 WeakPolarHBondContact CA-O 3.35Å; F106-M111 HydrophobicContact CD1-CB 3.86Å; F106-M111 HydrophobicContact CD1-CG 4.17Å; F106-M111 HydrophobicContact CE1-CB 3.68Å; F106-M111 HydrophobicContact CE1-CG 3.68Å; F106-M111 HydrophobicContact CE2-CG 4.38Å; F106-M111 HydrophobicContact CZ-CB 4.31Å; F106-M111 HydrophobicContact CZ-CG 3.79Å |
| 107 | K | 88.9 | Confident | 90 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.7 | 178.5 | -172.9 | -173.2 | 176 | 173.6 | 0 | 108.6 | F44 F105 G109 N110 I112 K130 | F44-K107 HydrophobicContact CD1-CB 4.4Å; F44-K107 HydrophobicContact CD1-CG 3.72Å; F44-K107 HydrophobicContact CE1-CD 4.39Å; F44-K107 HydrophobicContact CE1-CG 3.6Å; F105-K107 HydrophobicContact CD1-CB 4.34Å; F105-K107 HydrophobicContact CE1-CB 3.75Å; F105-K107 HydrophobicContact CE1-CG 4.25Å; F105-K107 HydrophobicContact CZ-CB 4.2Å; K107-G109 PolarHBondContact O-N 2.96Å; K107-N110 PolarHBondContact N-O 2.75Å; K107-N110 WeakPolarHBondContact O-CB 3.33Å; K107-N110 PolarHBondContact O-N 3.45Å; K107-N110 PolarHBondContact O-ND2 3.02Å; K107-I112 HydrophobicContact CB-CD1 4.28Å; K107-K130 WeakPolarHBondContact CE-O 3.21Å; K107-K130 PolarHBondContact NZ-O 2.98Å |
| 108 | E | 84.8 | Confident | 90 | Very high | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 45.3 | -176.2 | -61.2 | 175.1 | 160.4 | 0 | 0 | 110.9 | K43 F44 N110 | K43-E108 WeakPolarHBondContact CE-OE1 3.17Å; K43-E108 HydrophobicContact CG-CG 3.8Å; K43-E108 IonicContact NZ-OE1 2.6Å; K43-E108 PolarHBondContact NZ-OE1 2.9Å; K43-E108 VanDerWaalsContact NZ-OE1 3.16Å; K43-E108 PolarHBondContact O-N 2.75Å; F44-E108 HydrophobicContact CE1-CG 4.49Å; E108-N110 VanDerWaalsContact C-N 3.26Å; E108-N110 PolarHBondContact O-N 3.42Å; E108-N110 PolarHBondContact O-ND2 3.01Å |
| 109 | G | 84.2 | Confident | 90.2 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -17.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K107 | K107-G109 PolarHBondContact O-N 2.96Š|
| 110 | N | 83.8 | Confident | 90.4 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.1 | 179.6 | -61.6 | -74.2 | 0 | 0 | 0 | 111.3 | F106 K107 E108 L175 | F106-N110 CarbonylContact C-O 3.58Å; F106-N110 VanDerWaalsContact CA-O 3.32Å; F106-N110 WeakPolarHBondContact CA-O 3.35Å; K107-N110 PolarHBondContact N-O 2.75Å; K107-N110 WeakPolarHBondContact O-CB 3.33Å; K107-N110 PolarHBondContact O-N 3.45Å; K107-N110 PolarHBondContact O-ND2 3.02Å; E108-N110 VanDerWaalsContact C-N 3.26Å; E108-N110 PolarHBondContact O-N 3.42Å; E108-N110 PolarHBondContact O-ND2 3.01Å; N110-L175 WeakPolarHBondContact ND2-CD2 2.89Å |
| 111 | M | 88.1 | Confident | 90.3 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 39% | 0.394 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.9 | -177.3 | -173.4 | -95 | -76.5 | 0 | 0 | 111.8 | Y95 K104 F105 F106 | Y95-M111 HydrophobicContact CD1-CE 3.97Å; K104-M111 HydrophobicContact CB-CG 4.07Å; K104-M111 HydrophobicContact CB-SD 4.36Å; K104-M111 HydrophobicContact CD-SD 3.83Å; K104-M111 HydrophobicContact CG-SD 4.34Å; F105-M111 CarbonylContact O-C 3.58Å; F106-M111 HydrophobicContact CD1-CB 3.86Å; F106-M111 HydrophobicContact CD1-CG 4.17Å; F106-M111 HydrophobicContact CE1-CB 3.68Å; F106-M111 HydrophobicContact CE1-CG 3.68Å; F106-M111 HydrophobicContact CE2-CG 4.38Å; F106-M111 HydrophobicContact CZ-CB 4.31Å; F106-M111 HydrophobicContact CZ-CG 3.79Å |
| 112 | I | 86 | Confident | 89.9 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130 | 179.6 | -54.2 | 169.4 | 0 | 0 | 0 | 107.4 | F105 K107 Y114 W126 D177 | F105-I112 HydrophobicContact CD1-CD1 4.26Å; F105-I112 PolarHBondContact N-O 3.23Å; F105-I112 PolarHBondContact O-N 3.37Å; K107-I112 HydrophobicContact CB-CD1 4.28Å; I112-Y114 PolarHBondContact O-N 2.59Å; I112-W126 HydrophobicContact CG2-CH2 4.32Å; I112-D177 WeakPolarHBondContact CD1-OD1 3.4Å; I112-D177 WeakPolarHBondContact CG1-OD1 3.47Å |
| 113 | E | 87.2 | Confident | 89.9 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.5 | 172.6 | -174.4 | 150.6 | -123.8 | 0 | 0 | 111.2 | K104 A115 | K104-E113 IonicContact NZ-OE1 3.2Å; K104-E113 PolarHBondContact NZ-OE1 2.87Å; K104-E113 IonicContact NZ-OE2 2.73Å; E113-A115 PolarHBondContact O-N 3.1Å |
| 114 | Y | 89.8 | Confident | 89.7 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | trans | -79.7 | 121 | 177.6 | 176.6 | -89 | 0 | 0 | 0 | 110.2 | L46 L103 I112 G116 G117 I123 W126 | L46-Y114 HydrophobicContact CD1-CD2 3.9Å; L46-Y114 HydrophobicContact CD1-CG 4.07Å; L46-Y114 HydrophobicContact CD2-CD2 4.2Å; L46-Y114 HydrophobicContact CD2-CE2 4.38Å; L103-Y114 HydrophobicContact CB-CD1 3.95Å; L103-Y114 HydrophobicContact CB-CG 4.01Å; L103-Y114 HydrophobicContact CD2-CD1 3.91Å; L103-Y114 HydrophobicContact CD2-CE1 4.28Å; L103-Y114 HydrophobicContact CD2-CG 4.32Å; L103-Y114 HydrophobicContact CG-CD1 4.47Å; L103-Y114 WeakPolarHBondContact O-CB 3.44Å; L103-Y114 PolarHBondContact O-N 2.9Å; I112-Y114 PolarHBondContact O-N 2.59Å; Y114-G116 VanDerWaalsContact CE1-C 3.45Å; Y114-G116 VanDerWaalsContact CE1-N 3.35Å; Y114-G116 VanDerWaalsContact CE1-O 3.27Å; Y114-G116 WeakPolarHBondContact CE1-O 3.35Å; Y114-G116 VanDerWaalsContact CZ-CA 3.41Å; Y114-G116 VanDerWaalsContact OH-C 3.29Å; Y114-G116 WeakPolarHBondContact OH-CA 3.3Å; Y114-G117 WeakPolarHBondContact CE1-O 3.31Å; Y114-G117 PolarHBondContact OH-N 2.97Å; Y114-G117 PolarHBondContact OH-O 3.37Å; Y114-I123 VanDerWaalsContact OH-CA 3.31Å; Y114-I123 WeakPolarHBondContact OH-CA 3.5Å; Y114-I123 WeakPolarHBondContact OH-CG1 3.27Å; Y114-W126 AromaticContact CD2-CD2 3.62Å; Y114-W126 HydrophobicContact CD2-CD2 3.62Å; Y114-W126 AromaticContact CD2-CE2 3.99Å; Y114-W126 AromaticContact CD2-CE3 3.39Å; Y114-W126 HydrophobicContact CD2-CE3 3.39Å; Y114-W126 HydrophobicContact CD2-CG 4.26Å; Y114-W126 AromaticContact CD2-CH2 3.99Å; Y114-W126 HydrophobicContact CD2-CH2 3.99Å; Y114-W126 HydrophobicContact CD2-CZ2 4.18Å; Y114-W126 AromaticContact CD2-CZ3 3.6Å; Y114-W126 HydrophobicContact CD2-CZ3 3.6Å; Y114-W126 HydrophobicContact CE2-CB 3.86Å; Y114-W126 AromaticContact CE2-CD2 3.49Å; Y114-W126 HydrophobicContact CE2-CD2 3.49Å; Y114-W126 VanDerWaalsContact CE2-CD2 3.49Å; Y114-W126 AromaticContact CE2-CE3 3.51Å; Y114-W126 HydrophobicContact CE2-CE3 3.51Å; Y114-W126 AromaticContact CE2-CG 3.66Å; Y114-W126 HydrophobicContact CE2-CG 3.66Å; Y114-W126 HydrophobicContact CE2-CZ3 4.2Å | ||
| 115 | A | 83.5 | Confident | 89.1 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 76% | 0.76 | 29% | 0.285 | S | S | * | . | trans | -119.5 | 19.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | E113 | E113-A115 PolarHBondContact O-N 3.1Š| ||
| 116 | G | 84.8 | Confident | 88.9 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -85.8 | -177.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y114 | Y114-G116 VanDerWaalsContact CE1-C 3.45Å; Y114-G116 VanDerWaalsContact CE1-N 3.35Å; Y114-G116 VanDerWaalsContact CE1-O 3.27Å; Y114-G116 WeakPolarHBondContact CE1-O 3.35Å; Y114-G116 VanDerWaalsContact CZ-CA 3.41Å; Y114-G116 VanDerWaalsContact OH-C 3.29Å; Y114-G116 WeakPolarHBondContact OH-CA 3.3Å |
| 117 | G | 86 | Confident | 88.8 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | trans | -65.9 | 164.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y114 I123 | Y114-G117 WeakPolarHBondContact CE1-O 3.31Å; Y114-G117 PolarHBondContact OH-N 2.97Å; Y114-G117 PolarHBondContact OH-O 3.37Å; G117-I123 WeakPolarHBondContact O-CG1 3.32Å | ||
| 118 | R | 92.5 | Very high | 88.8 | Confident | 119 Ų | 119 | 54.3 Ų | 54.3 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -103.6 | -2.4 | -175.9 | -73.4 | -175.8 | 178.5 | 175.2 | -2.6 | 114.1 | L60 E63 | L60-R118 HydrophobicContact CD1-CB 4.02Å; L60-R118 HydrophobicContact CD1-CG 4.37Å; L60-R118 VanDerWaalsContact CD1-O 3.24Å; L60-R118 WeakPolarHBondContact CD1-O 3.47Å; E63-R118 WeakPolarHBondContact CB-O 3.45Å |
| 119 | D | 94.3 | Very high | 88.6 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -82 | 158 | 168.4 | 64.5 | 95.2 | 0 | 0 | 0 | 111.2 | D121 S122 I123 | D119-D121 PolarHBondContact O-N 3.06Å; D119-D121 PolarHBondContact OD1-N 3.26Å; D119-S122 VanDerWaalsContact CG-OG 3.24Å; D119-S122 PolarHBondContact O-N 3.37Å; D119-S122 WeakPolarHBondContact OD1-CB 3.5Å; D119-S122 PolarHBondContact OD1-N 2.71Å; D119-S122 PolarHBondContact OD1-OG 2.94Å; D119-S122 VanDerWaalsContact OD1-OG 3.1Å; D119-S122 WeakPolarHBondContact OD2-CB 3.47Å; D119-S122 PolarHBondContact OD2-OG 2.77Å; D119-I123 WeakPolarHBondContact O-CG1 3.44Å; D119-I123 PolarHBondContact O-N 2.84Å |
| 120 | A | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E63 K66 A67 M70 I123 V124 | E63-A120 WeakPolarHBondContact O-CB 3.44Å; E63-A120 WeakPolarHBondContact OE2-CB 3.2Å; E63-A120 PolarHBondContact OE2-N 3.31Å; K66-A120 HydrophobicContact CB-CB 3.93Å; K66-A120 HydrophobicContact CD-CB 3.7Å; K66-A120 HydrophobicContact CG-CB 3.71Å; A67-A120 HydrophobicContact CB-CB 4.07Å; M70-A120 HydrophobicContact SD-CB 4.01Å; A120-I123 PolarHBondContact O-N 3.1Å; A120-V124 VanDerWaalsContact O-CG2 3.32Å; A120-V124 WeakPolarHBondContact O-CG2 3.36Å; A120-V124 PolarHBondContact O-N 3.41Å |
| 121 | D | 90.7 | Very high | 88.7 | Confident | 85 Ų | 85 | 56 Ų | 56 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | -178.3 | -69.8 | -59.9 | 0 | 0 | 0 | 110.8 | M70 D119 I123 V124 Q125 | M70-D121 VanDerWaalsContact CE-OD1 3.3Å; M70-D121 WeakPolarHBondContact CE-OD1 3.42Å; D119-D121 PolarHBondContact O-N 3.06Å; D119-D121 PolarHBondContact OD1-N 3.26Å; D121-I123 VanDerWaalsContact C-N 3.34Å; D121-I123 PolarHBondContact O-N 3.12Å; D121-V124 PolarHBondContact O-N 3.49Å; D121-Q125 WeakPolarHBondContact O-CB 3.4Å; D121-Q125 VanDerWaalsContact O-CG 3.24Å; D121-Q125 WeakPolarHBondContact O-CG 3.44Å; D121-Q125 PolarHBondContact O-N 3.2Å |
| 122 | S | 88.8 | Confident | 88.3 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.1 | -69 | 0 | 0 | 0 | 0 | 112.8 | D119 W126 | D119-S122 VanDerWaalsContact CG-OG 3.24Å; D119-S122 PolarHBondContact O-N 3.37Å; D119-S122 WeakPolarHBondContact OD1-CB 3.5Å; D119-S122 PolarHBondContact OD1-N 2.71Å; D119-S122 PolarHBondContact OD1-OG 2.94Å; D119-S122 VanDerWaalsContact OD1-OG 3.1Å; D119-S122 WeakPolarHBondContact OD2-CB 3.47Å; D119-S122 PolarHBondContact OD2-OG 2.77Å; S122-W126 VanDerWaalsContact O-CB 3.29Å; S122-W126 WeakPolarHBondContact O-CB 3.45Å; S122-W126 PolarHBondContact O-N 3.17Å |
| 123 | I | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 177.1 | -68.4 | 162.2 | 0 | 0 | 0 | 110.5 | L46 L60 Y64 A67 L80 Y114 G117 D119 A120 D121 Q125 W126 L127 | L46-I123 HydrophobicContact CD2-CG2 3.81Å; L60-I123 HydrophobicContact CD1-CD1 4.07Å; Y64-I123 HydrophobicContact CD2-CD1 4.01Å; A67-I123 HydrophobicContact CB-CB 4.12Å; A67-I123 HydrophobicContact CB-CD1 4.44Å; A67-I123 HydrophobicContact CB-CG2 3.96Å; L80-I123 HydrophobicContact CD2-CG2 4.37Å; Y114-I123 VanDerWaalsContact OH-CA 3.31Å; Y114-I123 WeakPolarHBondContact OH-CA 3.5Å; Y114-I123 WeakPolarHBondContact OH-CG1 3.27Å; G117-I123 WeakPolarHBondContact O-CG1 3.32Å; D119-I123 WeakPolarHBondContact O-CG1 3.44Å; D119-I123 PolarHBondContact O-N 2.84Å; A120-I123 PolarHBondContact O-N 3.1Å; D121-I123 VanDerWaalsContact C-N 3.34Å; D121-I123 PolarHBondContact O-N 3.12Å; I123-Q125 PolarHBondContact O-N 2.82Å; I123-W126 PolarHBondContact O-N 3.04Å; I123-L127 HydrophobicContact CG2-CD1 3.62Å; I123-L127 HydrophobicContact CG2-CG 4.36Å; I123-L127 WeakPolarHBondContact O-CB 3.26Å; I123-L127 VanDerWaalsContact O-CG 3.28Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.25Å |
| 124 | V | 93.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -179.4 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | A67 M70 L71 A120 D121 L127 K128 | A67-V124 HydrophobicContact CB-CG2 4.01Å; M70-V124 HydrophobicContact CB-CG2 4.15Å; M70-V124 HydrophobicContact CE-CG2 4.15Å; M70-V124 HydrophobicContact SD-CG2 4.36Å; L71-V124 HydrophobicContact CD1-CG2 4.45Å; L71-V124 HydrophobicContact CD2-CG1 4.05Å; L71-V124 HydrophobicContact CD2-CG2 4.36Å; L71-V124 HydrophobicContact CG-CG2 4.05Å; A120-V124 VanDerWaalsContact O-CG2 3.32Å; A120-V124 WeakPolarHBondContact O-CG2 3.36Å; A120-V124 PolarHBondContact O-N 3.41Å; D121-V124 PolarHBondContact O-N 3.49Å; V124-L127 PolarHBondContact O-N 3.26Å; V124-K128 HydrophobicContact CG1-CD 3.86Å; V124-K128 HydrophobicContact CG1-CG 4.31Å; V124-K128 WeakPolarHBondContact O-CB 3.34Å; V124-K128 VanDerWaalsContact O-CG 3.3Å; V124-K128 WeakPolarHBondContact O-CG 3.44Å; V124-K128 PolarHBondContact O-N 3.09Å |
| 125 | Q | 84.2 | Confident | 88.3 | Confident | 122 Ų | 122 | 55 Ų | 55 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 178.9 | -70.1 | -59.5 | -31.1 | 0 | 0 | 112.3 | D121 I123 K129 | D121-Q125 WeakPolarHBondContact O-CB 3.4Å; D121-Q125 VanDerWaalsContact O-CG 3.24Å; D121-Q125 WeakPolarHBondContact O-CG 3.44Å; D121-Q125 PolarHBondContact O-N 3.2Å; I123-Q125 PolarHBondContact O-N 2.82Å; Q125-K129 VanDerWaalsContact O-CB 3.25Å; Q125-K129 WeakPolarHBondContact O-CB 3.36Å; Q125-K129 PolarHBondContact O-N 2.76Å |
| 126 | W | 90.2 | Very high | 88.8 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.5 | -170.8 | 101.9 | 0 | 0 | 0 | 111.1 | F105 I112 Y114 S122 I123 K129 K130 | F105-W126 HydrophobicContact CB-CH2 4.05Å; F105-W126 HydrophobicContact CB-CZ3 3.85Å; F105-W126 HydrophobicContact CD1-CH2 4.09Å; F105-W126 AromaticContact CD1-CZ3 3.7Å; F105-W126 HydrophobicContact CD1-CZ3 3.7Å; F105-W126 HydrophobicContact CE1-CZ3 4.47Å; F105-W126 HydrophobicContact CG-CH2 4.34Å; F105-W126 AromaticContact CG-CZ3 3.82Å; F105-W126 HydrophobicContact CG-CZ3 3.82Å; I112-W126 HydrophobicContact CG2-CH2 4.32Å; Y114-W126 AromaticContact CD2-CD2 3.62Å; Y114-W126 HydrophobicContact CD2-CD2 3.62Å; Y114-W126 AromaticContact CD2-CE2 3.99Å; Y114-W126 AromaticContact CD2-CE3 3.39Å; Y114-W126 HydrophobicContact CD2-CE3 3.39Å; Y114-W126 HydrophobicContact CD2-CG 4.26Å; Y114-W126 AromaticContact CD2-CH2 3.99Å; Y114-W126 HydrophobicContact CD2-CH2 3.99Å; Y114-W126 HydrophobicContact CD2-CZ2 4.18Å; Y114-W126 AromaticContact CD2-CZ3 3.6Å; Y114-W126 HydrophobicContact CD2-CZ3 3.6Å; Y114-W126 HydrophobicContact CE2-CB 3.86Å; Y114-W126 AromaticContact CE2-CD2 3.49Å; Y114-W126 HydrophobicContact CE2-CD2 3.49Å; Y114-W126 VanDerWaalsContact CE2-CD2 3.49Å; Y114-W126 AromaticContact CE2-CE3 3.51Å; Y114-W126 HydrophobicContact CE2-CE3 3.51Å; Y114-W126 AromaticContact CE2-CG 3.66Å; Y114-W126 HydrophobicContact CE2-CG 3.66Å; Y114-W126 HydrophobicContact CE2-CZ3 4.2Å; S122-W126 VanDerWaalsContact O-CB 3.29Å; S122-W126 WeakPolarHBondContact O-CB 3.45Å; S122-W126 PolarHBondContact O-N 3.17Å; I123-W126 PolarHBondContact O-N 3.04Å; W126-K129 WeakPolarHBondContact O-CB 3.39Å; W126-K129 PolarHBondContact O-N 3.39Å; W126-K130 HydrophobicContact CD2-CG 3.95Å; W126-K130 HydrophobicContact CE3-CB 4.37Å; W126-K130 HydrophobicContact CE3-CG 3.71Å; W126-K130 HydrophobicContact CH2-CD 4.28Å; W126-K130 HydrophobicContact CH2-CG 3.77Å; W126-K130 HydrophobicContact CZ2-CD 4.3Å; W126-K130 VanDerWaalsContact CZ2-CE 3.5Å; W126-K130 HydrophobicContact CZ2-CG 4Å; W126-K130 HydrophobicContact CZ3-CB 4.2Å; W126-K130 HydrophobicContact CZ3-CG 3.62Å; W126-K130 VanDerWaalsContact O-CG 3.32Å; W126-K130 WeakPolarHBondContact O-CG 3.19Å; W126-K130 PolarHBondContact O-N 3.06Å |
| 127 | L | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 178.9 | -71.1 | 168.2 | 0 | 0 | 0 | 111.5 | L46 L71 I78 L80 F105 I123 V124 K129 K130 T131 | L46-L127 HydrophobicContact CB-CD1 4.36Å; L46-L127 HydrophobicContact CB-CD2 4.03Å; L46-L127 HydrophobicContact CD1-CD2 4.48Å; L46-L127 HydrophobicContact CD2-CD1 3.89Å; L46-L127 HydrophobicContact CD2-CD2 4.15Å; L46-L127 HydrophobicContact CD2-CG 4.32Å; L46-L127 HydrophobicContact CG-CD2 4.46Å; L71-L127 HydrophobicContact CD1-CD1 3.93Å; I78-L127 HydrophobicContact CD1-CB 3.93Å; I78-L127 HydrophobicContact CG2-CB 4.2Å; I78-L127 HydrophobicContact CG2-CD1 3.88Å; I78-L127 HydrophobicContact CG2-CD2 4.23Å; I78-L127 HydrophobicContact CG2-CG 4.33Å; L80-L127 HydrophobicContact CD1-CD1 3.77Å; F105-L127 HydrophobicContact CD2-CD2 3.43Å; F105-L127 VanDerWaalsContact CD2-CD2 3.43Å; F105-L127 HydrophobicContact CE2-CD2 3.49Å; F105-L127 VanDerWaalsContact CE2-CD2 3.49Å; F105-L127 HydrophobicContact CG-CD2 4.03Å; F105-L127 HydrophobicContact CZ-CD2 4.11Å; I123-L127 HydrophobicContact CG2-CD1 3.62Å; I123-L127 HydrophobicContact CG2-CG 4.36Å; I123-L127 WeakPolarHBondContact O-CB 3.26Å; I123-L127 VanDerWaalsContact O-CG 3.28Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.25Å; V124-L127 PolarHBondContact O-N 3.26Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 2.84Å; L127-K130 CarbonylContact O-C 3.54Å; L127-K130 WeakPolarHBondContact O-CA 3.01Å; L127-K130 PolarHBondContact O-N 3.2Å; L127-T131 WeakPolarHBondContact O-CG2 3.26Å; L127-T131 PolarHBondContact O-N 3.1Å; L127-T131 PolarHBondContact O-OG1 3.31Å |
| 128 | K | 87.5 | Confident | 89.9 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57 | -39.5 | 175.3 | -75.3 | 177.7 | 177.2 | 174.6 | 0 | 112.2 | E74 V124 K130 T131 G132 | E74-K128 IonicContact OE1-NZ 3.4Å; E74-K128 PolarHBondContact OE1-NZ 3.31Å; E74-K128 WeakPolarHBondContact OE2-CE 3.42Å; E74-K128 IonicContact OE2-NZ 2.68Å; E74-K128 PolarHBondContact OE2-NZ 2.85Å; V124-K128 HydrophobicContact CG1-CD 3.86Å; V124-K128 HydrophobicContact CG1-CG 4.31Å; V124-K128 WeakPolarHBondContact O-CB 3.34Å; V124-K128 VanDerWaalsContact O-CG 3.3Å; V124-K128 WeakPolarHBondContact O-CG 3.44Å; V124-K128 PolarHBondContact O-N 3.09Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.4Å; K128-T131 PolarHBondContact O-N 3.5Å; K128-G132 PolarHBondContact O-N 2.79Å |
| 129 | K | 81.4 | Confident | 90.1 | Very high | 172 Ų | 172 | 54.6 Ų | 54.6 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.1 | -35.2 | 175.1 | -176.2 | 177 | 178.3 | 179.8 | 0 | 112 | Q125 W126 L127 | Q125-K129 VanDerWaalsContact O-CB 3.25Å; Q125-K129 WeakPolarHBondContact O-CB 3.36Å; Q125-K129 PolarHBondContact O-N 2.76Å; W126-K129 WeakPolarHBondContact O-CB 3.39Å; W126-K129 PolarHBondContact O-N 3.39Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 2.84Å |
| 130 | K | 84 | Confident | 90.3 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -83 | -24.5 | 179.8 | -69.8 | -69.3 | -169.7 | 170.6 | 0 | 114.1 | F105 K107 W126 L127 K128 | F105-K130 HydrophobicContact CD1-CB 4.38Å; F105-K130 HydrophobicContact CE1-CB 3.88Å; K107-K130 WeakPolarHBondContact CE-O 3.21Å; K107-K130 PolarHBondContact NZ-O 2.98Å; W126-K130 HydrophobicContact CD2-CG 3.95Å; W126-K130 HydrophobicContact CE3-CB 4.37Å; W126-K130 HydrophobicContact CE3-CG 3.71Å; W126-K130 HydrophobicContact CH2-CD 4.28Å; W126-K130 HydrophobicContact CH2-CG 3.77Å; W126-K130 HydrophobicContact CZ2-CD 4.3Å; W126-K130 VanDerWaalsContact CZ2-CE 3.5Å; W126-K130 HydrophobicContact CZ2-CG 4Å; W126-K130 HydrophobicContact CZ3-CB 4.2Å; W126-K130 HydrophobicContact CZ3-CG 3.62Å; W126-K130 VanDerWaalsContact O-CG 3.32Å; W126-K130 WeakPolarHBondContact O-CG 3.19Å; W126-K130 PolarHBondContact O-N 3.06Å; L127-K130 CarbonylContact O-C 3.54Å; L127-K130 WeakPolarHBondContact O-CA 3.01Å; L127-K130 PolarHBondContact O-N 3.2Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.4Å |
| 131 | T | 85.5 | Confident | 90.3 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -100.6 | -5.1 | 178.8 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | F44 I78 F105 L127 K128 | F44-T131 HydrophobicContact CB-CG2 3.83Å; F44-T131 HydrophobicContact CD1-CG2 3.5Å; F44-T131 VanDerWaalsContact CD1-CG2 3.5Å; F44-T131 HydrophobicContact CD2-CG2 3.65Å; F44-T131 HydrophobicContact CE1-CG2 3.9Å; F44-T131 HydrophobicContact CE2-CG2 4.02Å; F44-T131 HydrophobicContact CG-CG2 3.36Å; F44-T131 HydrophobicContact CZ-CG2 4.12Å; I78-T131 HydrophobicContact CD1-CG2 3.77Å; I78-T131 WeakPolarHBondContact CD1-OG1 3.46Å; I78-T131 HydrophobicContact CG1-CG2 3.94Å; F105-T131 HydrophobicContact CE1-CG2 4.31Å; F105-T131 HydrophobicContact CE2-CG2 4.5Å; F105-T131 HydrophobicContact CZ-CG2 3.59Å; L127-T131 WeakPolarHBondContact O-CG2 3.26Å; L127-T131 PolarHBondContact O-N 3.1Å; L127-T131 PolarHBondContact O-OG1 3.31Å; K128-T131 PolarHBondContact O-N 3.5Å |
| 132 | G | 81.5 | Confident | 90.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -61.7 | -179.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K128 V134 | K128-G132 PolarHBondContact O-N 2.79Å; G132-V134 PolarHBondContact O-N 2.68Å |
| 133 | P | 82.7 | Confident | 91 | Very high | 119 Ų | 119 | 56 Ų | 56 | 77% | 0.773 | 30% | 0.303 | S | S | * | . | trans | -51 | 134 | 178.7 | -25.4 | 33.7 | 0 | 0 | 0 | 111.7 | A135 | P133-A135 PolarHBondContact O-N 2.73Å; P133-A135 VanDerWaalsContact O-N 3.12Å | ||
| 134 | V | 86.5 | Confident | 91.1 | Very high | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -57.7 | -28.6 | -178.4 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | G132 L170 A173 | G132-V134 PolarHBondContact O-N 2.68Å; V134-L170 HydrophobicContact CG2-CB 4.09Å; V134-L170 HydrophobicContact CG2-CD2 3.67Å; V134-L170 HydrophobicContact CG2-CG 4.47Å; V134-A173 HydrophobicContact CB-CB 4.46Å |
| 135 | A | 92.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -134.5 | 137.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | P133 E137 F169 L170 F181 I183 | P133-A135 PolarHBondContact O-N 2.73Å; P133-A135 VanDerWaalsContact O-N 3.12Å; A135-E137 PolarHBondContact O-N 3.25Å; A135-F169 HydrophobicContact CB-CE1 4.38Å; A135-L170 HydrophobicContact CB-CD2 3.79Å; A135-F181 CarbonylContact C-O 3.59Å; A135-F181 VanDerWaalsContact CA-O 3.26Å; A135-F181 WeakPolarHBondContact CA-O 3.36Å; A135-F181 HydrophobicContact CB-CB 3.81Å; A135-I183 HydrophobicContact CB-CB 4.1Å; A135-I183 HydrophobicContact CB-CG2 4.03Å |
| 136 | K | 93.6 | Very high | 91.8 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 45% | 0.452 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125.9 | 173.3 | -177.9 | -179.2 | 177.7 | -175.9 | 0 | 109.5 | L138 F147 F181 G182 I183 | K136-L138 HydrophobicContact CD-CD2 4.06Å; K136-L138 HydrophobicContact CG-CD2 4.21Å; K136-L138 PolarHBondContact O-N 3.24Å; K136-F147 HydrophobicContact CB-CE2 3.99Å; K136-F147 HydrophobicContact CB-CZ 4.32Å; K136-F147 HydrophobicContact CD-CD2 3.92Å; K136-F147 HydrophobicContact CD-CE2 3.9Å; K136-F181 PolarHBondContact N-O 3.04Å; K136-G182 CarbonylContact O-C 3.5Å; K136-G182 VanDerWaalsContact O-CA 3.23Å; K136-G182 WeakPolarHBondContact O-CA 3.38Å; K136-I183 PolarHBondContact O-N 2.74Å |
| 137 | E | 95.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.7 | 171.5 | -168.6 | 170.2 | 179.8 | 0 | 0 | 110.2 | A135 T139 K161 I183 | A135-E137 PolarHBondContact O-N 3.25Å; E137-T139 HydrophobicContact CG-CG2 3.98Å; E137-K161 IonicContact OE1-NZ 3.02Å; E137-K161 PolarHBondContact OE1-NZ 2.97Å; E137-I183 WeakPolarHBondContact CA-O 3.35Å |
| 138 | L | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -103 | 108.5 | 179.1 | -56.2 | 174.5 | 0 | 0 | 0 | 108.6 | K136 A144 F147 I155 I183 T184 | K136-L138 HydrophobicContact CD-CD2 4.06Å; K136-L138 HydrophobicContact CG-CD2 4.21Å; K136-L138 PolarHBondContact O-N 3.24Å; L138-A144 HydrophobicContact CD1-CB 4.33Å; L138-F147 HydrophobicContact CD1-CB 4.46Å; L138-F147 HydrophobicContact CD1-CD1 3.82Å; L138-F147 HydrophobicContact CD1-CE1 4.3Å; L138-F147 HydrophobicContact CD1-CG 4.26Å; L138-F147 HydrophobicContact CD2-CB 3.94Å; L138-F147 HydrophobicContact CD2-CD1 4.2Å; L138-F147 HydrophobicContact CD2-CD2 4.13Å; L138-F147 HydrophobicContact CD2-CG 3.84Å; L138-I155 HydrophobicContact CD1-CD1 3.64Å; L138-I155 HydrophobicContact CD1-CG1 4.07Å; L138-I155 HydrophobicContact CD1-CG2 4.15Å; L138-I183 PolarHBondContact N-O 3.07Å; L138-T184 WeakPolarHBondContact O-CB 3.5Å; L138-T184 PolarHBondContact O-OG1 2.86Å | ||
| 139 | T | 97.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 36% | 0.356 | 34% | 0.337 | S | S | . | . | trans | -103.7 | -17.2 | -171.6 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | E137 E143 | E137-T139 HydrophobicContact CG-CG2 3.98Å; T139-E143 PolarHBondContact N-OE2 3.33Å; T139-E143 PolarHBondContact OG1-OE2 3.49Å | ||
| 140 | T | 98.1 | Very high | 92.6 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -132.4 | 153.8 | 178.7 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | A142 E143 A144 | T140-A142 PolarHBondContact O-N 3.26Å; T140-E143 PolarHBondContact N-OE2 3.49Å; T140-E143 PolarHBondContact O-N 3.09Å; T140-E143 WeakPolarHBondContact OG1-CB 3.36Å; T140-E143 VanDerWaalsContact OG1-CG 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.44Å; T140-E143 PolarHBondContact OG1-N 3.29Å; T140-A144 PolarHBondContact O-N 3.01Å |
| 141 | A | 97.4 | Very high | 92.8 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.4 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A144 K145 E192 | A141-A144 PolarHBondContact O-N 2.95Å; A141-K145 WeakPolarHBondContact O-CG 3.39Å; A141-K145 PolarHBondContact O-N 3.43Å; A141-E192 HydrophobicContact CB-CB 3.78Å; A141-E192 HydrophobicContact CB-CG 3.83Å |
| 142 | A | 97.5 | Very high | 93.2 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 60% | 0.595 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T140 A144 K145 A146 | T140-A142 PolarHBondContact O-N 3.26Å; A142-A144 VanDerWaalsContact C-N 3.31Å; A142-A144 PolarHBondContact O-N 2.89Å; A142-K145 PolarHBondContact O-N 2.73Å; A142-A146 WeakPolarHBondContact O-CB 3.48Å; A142-A146 PolarHBondContact O-N 3.17Å; A142-A146 VanDerWaalsContact O-N 3.09Å |
| 143 | E | 96.8 | Very high | 93.9 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 173.6 | -74.9 | 170.7 | 173.3 | 0 | 0 | 111.5 | T139 T140 A146 F147 | T139-E143 PolarHBondContact N-OE2 3.33Å; T139-E143 PolarHBondContact OG1-OE2 3.49Å; T140-E143 PolarHBondContact N-OE2 3.49Å; T140-E143 PolarHBondContact O-N 3.09Å; T140-E143 WeakPolarHBondContact OG1-CB 3.36Å; T140-E143 VanDerWaalsContact OG1-CG 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.44Å; T140-E143 PolarHBondContact OG1-N 3.29Å; E143-A146 PolarHBondContact O-N 2.93Å; E143-F147 VanDerWaalsContact O-CB 3.28Å; E143-F147 WeakPolarHBondContact O-CB 3.45Å; E143-F147 PolarHBondContact O-N 3.34Å |
| 144 | A | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L138 T140 A141 A142 F147 I148 V189 L193 | L138-A144 HydrophobicContact CD1-CB 4.33Å; T140-A144 PolarHBondContact O-N 3.01Å; A141-A144 PolarHBondContact O-N 2.95Å; A142-A144 VanDerWaalsContact C-N 3.31Å; A142-A144 PolarHBondContact O-N 2.89Å; A144-F147 WeakPolarHBondContact O-CB 3.46Å; A144-F147 PolarHBondContact O-N 3.13Å; A144-I148 PolarHBondContact O-N 2.91Å; A144-V189 HydrophobicContact CB-CB 4.43Å; A144-V189 HydrophobicContact CB-CG1 3.56Å; A144-V189 HydrophobicContact CB-CG2 4.16Å; A144-L193 HydrophobicContact CB-CD1 3.96Å; A144-L193 HydrophobicContact CB-CG 4.23Å |
| 145 | K | 96.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 173.8 | -72.8 | -170 | -152 | -120.7 | 0 | 112 | A141 A142 F147 I148 A149 E192 | A141-K145 WeakPolarHBondContact O-CG 3.39Å; A141-K145 PolarHBondContact O-N 3.43Å; A142-K145 PolarHBondContact O-N 2.73Å; K145-F147 PolarHBondContact O-N 3.12Å; K145-I148 WeakPolarHBondContact O-CG1 3.42Å; K145-I148 PolarHBondContact O-N 2.97Å; K145-A149 PolarHBondContact O-N 3.14Å; K145-E192 WeakPolarHBondContact CE-OE1 3.31Å; K145-E192 VanDerWaalsContact CE-OE2 3.26Å; K145-E192 WeakPolarHBondContact CE-OE2 3.41Å; K145-E192 HydrophobicContact CG-CG 3.92Å; K145-E192 IonicContact NZ-OE1 2.61Å; K145-E192 PolarHBondContact NZ-OE1 3.25Å; K145-E192 IonicContact NZ-OE2 2.87Å; K145-E192 PolarHBondContact NZ-OE2 3.04Å |
| 146 | A | 95.7 | Very high | 95.5 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -33.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A142 E143 | A142-A146 WeakPolarHBondContact O-CB 3.48Å; A142-A146 PolarHBondContact O-N 3.17Å; A142-A146 VanDerWaalsContact O-N 3.09Å; E143-A146 PolarHBondContact O-N 2.93Å |
| 147 | F | 95.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | -180 | -168.3 | -109 | 0 | 0 | 0 | 113.3 | K136 L138 E143 A144 K145 Q151 V153 I155 I180 F181 | K136-F147 HydrophobicContact CB-CE2 3.99Å; K136-F147 HydrophobicContact CB-CZ 4.32Å; K136-F147 HydrophobicContact CD-CD2 3.92Å; K136-F147 HydrophobicContact CD-CE2 3.9Å; L138-F147 HydrophobicContact CD1-CB 4.46Å; L138-F147 HydrophobicContact CD1-CD1 3.82Å; L138-F147 HydrophobicContact CD1-CE1 4.3Å; L138-F147 HydrophobicContact CD1-CG 4.26Å; L138-F147 HydrophobicContact CD2-CB 3.94Å; L138-F147 HydrophobicContact CD2-CD1 4.2Å; L138-F147 HydrophobicContact CD2-CD2 4.13Å; L138-F147 HydrophobicContact CD2-CG 3.84Å; E143-F147 VanDerWaalsContact O-CB 3.28Å; E143-F147 WeakPolarHBondContact O-CB 3.45Å; E143-F147 PolarHBondContact O-N 3.34Å; A144-F147 WeakPolarHBondContact O-CB 3.46Å; A144-F147 PolarHBondContact O-N 3.13Å; K145-F147 PolarHBondContact O-N 3.12Å; F147-Q151 PolarHBondContact O-NE2 3.14Å; F147-V153 HydrophobicContact CD1-CB 4.07Å; F147-V153 HydrophobicContact CD1-CG1 4.17Å; F147-V153 HydrophobicContact CD1-CG2 3.85Å; F147-V153 HydrophobicContact CE1-CB 3.69Å; F147-V153 HydrophobicContact CE1-CG1 3.94Å; F147-V153 HydrophobicContact CE1-CG2 3.93Å; F147-V153 HydrophobicContact CZ-CB 4.34Å; F147-V153 HydrophobicContact CZ-CG1 4.24Å; F147-V153 WeakPolarHBondContact O-CG1 3.44Å; F147-I155 HydrophobicContact CD1-CD1 3.96Å; F147-I155 HydrophobicContact CD1-CG1 4.08Å; F147-I155 HydrophobicContact CE1-CD1 4.38Å; F147-I155 HydrophobicContact CE1-CG1 3.98Å; F147-I180 HydrophobicContact CE2-CG2 3.63Å; F147-I180 HydrophobicContact CZ-CG2 3.5Å; F147-F181 WeakPolarHBondContact CZ-O 3.42Å |
| 148 | I | 95.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -92.2 | -2.2 | -177.1 | 67.8 | 156.6 | 0 | 0 | 0 | 114.9 | A144 K145 V153 I155 L193 F203 | A144-I148 PolarHBondContact O-N 2.91Å; K145-I148 WeakPolarHBondContact O-CG1 3.42Å; K145-I148 PolarHBondContact O-N 2.97Å; I148-V153 HydrophobicContact CB-CG2 4.25Å; I148-V153 HydrophobicContact CG2-CG2 3.73Å; I148-I155 HydrophobicContact CG2-CD1 3.62Å; I148-L193 HydrophobicContact CD1-CD2 3.6Å; I148-L193 HydrophobicContact CG1-CD2 4.3Å; I148-L193 HydrophobicContact CG2-CD1 4.28Å; I148-F203 HydrophobicContact CB-CB 3.81Å; I148-F203 HydrophobicContact CB-CD1 4.36Å; I148-F203 HydrophobicContact CB-CG 4.02Å; I148-F203 HydrophobicContact CD1-CD1 3.85Å; I148-F203 HydrophobicContact CD1-CE1 4.26Å; I148-F203 HydrophobicContact CD1-CG 4.37Å; I148-F203 HydrophobicContact CG2-CB 3.74Å; I148-F203 HydrophobicContact CG2-CD1 4.13Å; I148-F203 HydrophobicContact CG2-CD2 3.68Å; I148-F203 HydrophobicContact CG2-CE2 4.33Å; I148-F203 HydrophobicContact CG2-CG 3.57Å |
| 149 | A | 90.7 | Very high | 95.9 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -64.4 | -55.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K145 | K145-A149 PolarHBondContact O-N 3.14Š|
| 150 | D | 85.3 | Confident | 95.8 | Very high | 147 Ų | 147 | 47.5 Ų | 47.5 | 79% | 0.786 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -127.5 | 13.2 | -164.4 | -61.2 | -44.8 | 0 | 0 | 0 | 114.2 | ||
| 151 | Q | 88.7 | Confident | 95.3 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -147.7 | 160.2 | -176.1 | 74.3 | -159.5 | -36.1 | 0 | 0 | 111.6 | F147 V153 I180 | F147-Q151 PolarHBondContact O-NE2 3.14Å; Q151-V153 HydrophobicContact CG-CG1 3.44Å; Q151-V153 VanDerWaalsContact CG-CG1 3.44Å; Q151-V153 PolarHBondContact O-N 3Å; Q151-I180 HydrophobicContact CG-CD1 4.42Å |
| 152 | V | 93.3 | Very high | 95 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | trans | -73.9 | 119.7 | 171.5 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | L202 F203 K204 F206 | V152-L202 HydrophobicContact CG1-CD1 4.08Å; V152-L202 HydrophobicContact CG1-CD2 4.14Å; V152-L202 HydrophobicContact CG1-CG 4.1Å; V152-F203 WeakPolarHBondContact CA-O 3.12Å; V152-K204 HydrophobicContact CG2-CB 4.01Å; V152-F206 HydrophobicContact CG2-CE1 3.91Å; V152-F206 HydrophobicContact CG2-CZ 3.9Å | ||
| 153 | V | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.3 | 176 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | F147 I148 Q151 I155 I180 L202 F203 | F147-V153 HydrophobicContact CD1-CB 4.07Å; F147-V153 HydrophobicContact CD1-CG1 4.17Å; F147-V153 HydrophobicContact CD1-CG2 3.85Å; F147-V153 HydrophobicContact CE1-CB 3.69Å; F147-V153 HydrophobicContact CE1-CG1 3.94Å; F147-V153 HydrophobicContact CE1-CG2 3.93Å; F147-V153 HydrophobicContact CZ-CB 4.34Å; F147-V153 HydrophobicContact CZ-CG1 4.24Å; F147-V153 WeakPolarHBondContact O-CG1 3.44Å; I148-V153 HydrophobicContact CB-CG2 4.25Å; I148-V153 HydrophobicContact CG2-CG2 3.73Å; Q151-V153 HydrophobicContact CG-CG1 3.44Å; Q151-V153 VanDerWaalsContact CG-CG1 3.44Å; Q151-V153 PolarHBondContact O-N 3Å; V153-I155 HydrophobicContact CG2-CG1 4.44Å; V153-I180 CarbonylContact C-O 3.56Å; V153-I180 VanDerWaalsContact CA-O 3.27Å; V153-I180 WeakPolarHBondContact CA-O 3.4Å; V153-I180 WeakPolarHBondContact CB-O 3.42Å; V153-I180 HydrophobicContact CG1-CB 4.09Å; V153-I180 HydrophobicContact CG1-CG2 4.11Å; V153-L202 CarbonylContact O-C 3.54Å; V153-L202 WeakPolarHBondContact O-CA 3.3Å; V153-F203 HydrophobicContact CG2-CB 3.97Å; V153-F203 HydrophobicContact CG2-CD2 4.49Å; V153-F203 PolarHBondContact N-O 3.2Å; V153-F203 PolarHBondContact O-N 2.84Å |
| 154 | V | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.1 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | F169 T179 I180 F181 G182 I200 L202 I226 | V154-F169 HydrophobicContact CG1-CE2 3.99Å; V154-T179 HydrophobicContact CB-CG2 4.35Å; V154-T179 HydrophobicContact CG2-CG2 3.63Å; V154-I180 PolarHBondContact N-O 3.41Å; V154-F181 HydrophobicContact CB-CD1 3.66Å; V154-F181 HydrophobicContact CB-CE1 3.69Å; V154-F181 HydrophobicContact CG1-CD1 3.98Å; V154-F181 HydrophobicContact CG1-CE1 3.87Å; V154-F181 HydrophobicContact CG2-CE1 4.17Å; V154-F181 CarbonylContact O-C 3.51Å; V154-F181 VanDerWaalsContact O-CA 3.24Å; V154-F181 WeakPolarHBondContact O-CA 3.21Å; V154-G182 PolarHBondContact O-N 3.49Å; V154-I200 HydrophobicContact CG1-CG2 3.43Å; V154-I200 VanDerWaalsContact CG1-CG2 3.43Å; V154-L202 HydrophobicContact CG2-CB 4.2Å; V154-L202 HydrophobicContact CG2-CD1 3.99Å; V154-L202 HydrophobicContact CG2-CG 4.12Å; V154-I226 HydrophobicContact CG1-CD1 4.43Å; V154-I226 HydrophobicContact CG2-CD1 3.86Å; V154-I226 HydrophobicContact CG2-CG1 3.85Å; V154-I226 HydrophobicContact CG2-CG2 4.44Å |
| 155 | I | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.7 | -178.2 | -57.7 | 175.2 | 0 | 0 | 0 | 109.7 | L138 F147 I148 V153 F157 G182 T184 L193 I200 I201 F203 | L138-I155 HydrophobicContact CD1-CD1 3.64Å; L138-I155 HydrophobicContact CD1-CG1 4.07Å; L138-I155 HydrophobicContact CD1-CG2 4.15Å; F147-I155 HydrophobicContact CD1-CD1 3.96Å; F147-I155 HydrophobicContact CD1-CG1 4.08Å; F147-I155 HydrophobicContact CE1-CD1 4.38Å; F147-I155 HydrophobicContact CE1-CG1 3.98Å; I148-I155 HydrophobicContact CG2-CD1 3.62Å; V153-I155 HydrophobicContact CG2-CG1 4.44Å; I155-F157 HydrophobicContact CB-CD2 4.4Å; I155-F157 HydrophobicContact CB-CE2 3.72Å; I155-F157 HydrophobicContact CB-CZ 4.21Å; I155-F157 HydrophobicContact CG2-CD2 3.94Å; I155-F157 HydrophobicContact CG2-CE1 4.33Å; I155-F157 HydrophobicContact CG2-CE2 3.49Å; I155-F157 VanDerWaalsContact CG2-CE2 3.49Å; I155-F157 HydrophobicContact CG2-CZ 3.72Å; I155-G182 WeakPolarHBondContact CA-O 3.47Å; I155-T184 HydrophobicContact CG2-CG2 4.3Å; I155-L193 HydrophobicContact CD1-CD1 3.51Å; I155-I200 WeakPolarHBondContact O-CA 3.45Å; I155-I201 PolarHBondContact N-O 3.44Å; I155-I201 PolarHBondContact O-N 2.91Å; I155-F203 HydrophobicContact CB-CE2 4.3Å; I155-F203 HydrophobicContact CD1-CD2 3.85Å; I155-F203 HydrophobicContact CD1-CE2 3.78Å; I155-F203 HydrophobicContact CG1-CD2 4.21Å; I155-F203 HydrophobicContact CG1-CE2 4.26Å |
| 156 | G | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | F169 G182 I183 T184 | G156-F169 VanDerWaalsContact N-CZ 3.28Å; G156-G182 PolarHBondContact N-O 3.19Å; G156-I183 CarbonylContact O-C 3.58Å; G156-I183 VanDerWaalsContact O-CA 3.32Å; G156-I183 WeakPolarHBondContact O-CA 3.41Å; G156-T184 PolarHBondContact O-N 3.4Å |
| 157 | F | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.8 | 172.5 | -65.5 | -97 | 0 | 0 | 0 | 107.2 | I155 T184 V189 Y190 L193 A195 D198 G199 I201 F203 | I155-F157 HydrophobicContact CB-CD2 4.4Å; I155-F157 HydrophobicContact CB-CE2 3.72Å; I155-F157 HydrophobicContact CB-CZ 4.21Å; I155-F157 HydrophobicContact CG2-CD2 3.94Å; I155-F157 HydrophobicContact CG2-CE1 4.33Å; I155-F157 HydrophobicContact CG2-CE2 3.49Å; I155-F157 VanDerWaalsContact CG2-CE2 3.49Å; I155-F157 HydrophobicContact CG2-CZ 3.72Å; F157-T184 HydrophobicContact CD1-CG2 3.5Å; F157-T184 VanDerWaalsContact CD1-CG2 3.5Å; F157-T184 HydrophobicContact CE1-CG2 3.78Å; F157-T184 HydrophobicContact CG-CG2 4.17Å; F157-V189 HydrophobicContact CE1-CG1 4.15Å; F157-Y190 HydrophobicContact CB-CE1 3.93Å; F157-Y190 HydrophobicContact CB-CE2 4.18Å; F157-Y190 HydrophobicContact CD1-CD1 4.28Å; F157-Y190 AromaticContact CD1-CD2 3.81Å; F157-Y190 HydrophobicContact CD1-CD2 3.81Å; F157-Y190 HydrophobicContact CD1-CE1 4.34Å; F157-Y190 AromaticContact CD1-CE2 3.88Å; F157-Y190 HydrophobicContact CD1-CE2 3.88Å; F157-Y190 HydrophobicContact CD1-CG 4.04Å; F157-L193 HydrophobicContact CE1-CB 4.19Å; F157-L193 HydrophobicContact CE1-CD1 4.36Å; F157-L193 HydrophobicContact CZ-CB 3.88Å; F157-L193 HydrophobicContact CZ-CD1 3.8Å; F157-L193 HydrophobicContact CZ-CG 4.47Å; F157-A195 HydrophobicContact CB-CB 4.44Å; F157-A195 HydrophobicContact CD1-CB 3.41Å; F157-A195 VanDerWaalsContact CD1-CB 3.41Å; F157-A195 HydrophobicContact CD2-CB 4.1Å; F157-A195 HydrophobicContact CE1-CB 3.51Å; F157-A195 HydrophobicContact CE2-CB 4.2Å; F157-A195 HydrophobicContact CG-CB 3.72Å; F157-A195 HydrophobicContact CZ-CB 3.92Å; F157-D198 CarbonylContact O-C 3.5Å; F157-D198 WeakPolarHBondContact O-CA 3.36Å; F157-G199 PolarHBondContact N-O 3.45Å; F157-G199 PolarHBondContact O-N 3Å; F157-I201 HydrophobicContact CD2-CD1 4.01Å; F157-I201 HydrophobicContact CD2-CG1 4.05Å; F157-I201 HydrophobicContact CE2-CB 3.97Å; F157-I201 HydrophobicContact CE2-CD1 3.66Å; F157-I201 HydrophobicContact CE2-CG1 3.86Å; F157-I201 HydrophobicContact CZ-CD1 4.27Å; F157-F203 HydrophobicContact CE2-CE2 4.25Å; F157-F203 HydrophobicContact CZ-CE2 4.32Å; F157-F203 HydrophobicContact CZ-CZ 4.43Å |
| 158 | F | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -138.5 | 119.5 | 175.5 | -54.5 | -72.2 | 0 | 0 | 0 | 111.3 | K160 K165 A166 F169 I183 T184 S185 Y190 D198 I200 Y217 | F158-K160 PolarHBondContact O-N 3.11Å; F158-K165 HydrophobicContact CD1-CB 4.09Å; F158-K165 HydrophobicContact CE1-CB 3.73Å; F158-A166 HydrophobicContact CB-CB 3.92Å; F158-A166 HydrophobicContact CD1-CB 4.3Å; F158-A166 HydrophobicContact CD2-CB 3.68Å; F158-A166 HydrophobicContact CE2-CB 4.32Å; F158-A166 HydrophobicContact CG-CB 3.68Å; F158-F169 HydrophobicContact CE2-CB 3.73Å; F158-F169 AromaticContact CE2-CD1 3.7Å; F158-F169 HydrophobicContact CE2-CD1 3.7Å; F158-F169 HydrophobicContact CE2-CE1 4.47Å; F158-F169 AromaticContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CZ-CB 3.85Å; F158-F169 HydrophobicContact CZ-CG 4.15Å; F158-I183 HydrophobicContact CD2-CD1 4.05Å; F158-I183 HydrophobicContact CD2-CG1 4.23Å; F158-T184 PolarHBondContact N-O 2.81Å; F158-S185 WeakPolarHBondContact O-CA 3.39Å; F158-S185 VanDerWaalsContact O-CB 3.3Å; F158-S185 WeakPolarHBondContact O-CB 3.36Å; F158-S185 PolarHBondContact O-OG 3.44Å; F158-Y190 VanDerWaalsContact CA-OH 3.28Å; F158-Y190 WeakPolarHBondContact CA-OH 3.45Å; F158-Y190 PolarHBondContact N-OH 2.91Å; F158-D198 WeakPolarHBondContact CA-OD1 3.25Å; F158-D198 HydrophobicContact CD1-CB 4.24Å; F158-I200 HydrophobicContact CZ-CG1 4Å; F158-Y217 AromaticContact CE1-CE1 3.73Å; F158-Y217 HydrophobicContact CE1-CE1 3.73Å; F158-Y217 AromaticContact CZ-CE1 3.71Å; F158-Y217 HydrophobicContact CZ-CE1 3.71Å | ||
| 159 | K | 97.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 58.3 Ų | 58.3 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -63 | -31.8 | 175.6 | -69 | -65.8 | 167.5 | -158.6 | 0 | 112.3 | S185 D187 Y190 D198 | K159-S185 PolarHBondContact NZ-O 3Å; K159-D187 WeakPolarHBondContact CE-OD1 3.24Å; K159-D187 IonicContact NZ-OD1 2.98Å; K159-D187 PolarHBondContact NZ-OD1 3.28Å; K159-Y190 HydrophobicContact CD-CE1 4.46Å; K159-Y190 VanDerWaalsContact CE-CZ 3.49Å; K159-Y190 PolarHBondContact N-OH 2.79Å; K159-Y190 VanDerWaalsContact N-OH 3.11Å; K159-D198 PolarHBondContact N-OD1 3.11Å |
| 160 | K | 96 | Very high | 95 | Very high | 146 Ų | 146 | 58.3 Ų | 58.3 | 64% | 0.635 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -110.3 | 109.6 | 173.2 | -67.1 | -175.2 | -179.5 | -177.1 | 0 | 110.3 | F158 D162 S163 | F158-K160 PolarHBondContact O-N 3.11Å; K160-D162 PolarHBondContact O-N 2.96Å; K160-S163 WeakPolarHBondContact O-CB 3.46Å; K160-S163 PolarHBondContact O-N 2.79Å; K160-S163 PolarHBondContact O-OG 3.5Å |
| 161 | K | 87.5 | Confident | 95.3 | Very high | 97 Ų | 97 | 57 Ų | 57 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.6 | -177.9 | -62.7 | -178.1 | -176.1 | 172.4 | 0 | 113.7 | E137 A166 S185 | E137-K161 IonicContact OE1-NZ 3.02Å; E137-K161 PolarHBondContact OE1-NZ 2.97Å; K161-A166 WeakPolarHBondContact O-CB 3.34Å; K161-S185 VanDerWaalsContact CE-OG 3.25Å; K161-S185 WeakPolarHBondContact CE-OG 3.48Å; K161-S185 WeakPolarHBondContact CG-OG 3.38Å |
| 162 | D | 90.3 | Very high | 95.4 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 6.4 | -179.6 | 67.6 | -28.7 | 0 | 0 | 0 | 113.6 | K160 K167 | K160-D162 PolarHBondContact O-N 2.96Å; D162-K167 WeakPolarHBondContact O-CE 3.46Å; D162-K167 PolarHBondContact O-NZ 2.99Å |
| 163 | S | 96.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -61 | 152.8 | 174.1 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | K160 K165 A166 K167 | K160-S163 WeakPolarHBondContact O-CB 3.46Å; K160-S163 PolarHBondContact O-N 2.79Å; K160-S163 PolarHBondContact O-OG 3.5Å; S163-K165 PolarHBondContact O-N 3.16Å; S163-A166 PolarHBondContact O-N 3.27Å; S163-A166 VanDerWaalsContact OG-CB 3.31Å; S163-A166 WeakPolarHBondContact OG-CB 3.39Å; S163-A166 PolarHBondContact OG-N 2.84Å; S163-K167 PolarHBondContact O-N 3.23Å |
| 164 | D | 95.6 | Very high | 94.8 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.2 | -35.2 | 178.6 | -63.2 | -20.8 | 0 | 0 | 0 | 112.1 | K168 | D164-K168 WeakPolarHBondContact O-CB 3.41Å; D164-K168 VanDerWaalsContact O-CG 3.26Å; D164-K168 WeakPolarHBondContact O-CG 3.32Å; D164-K168 PolarHBondContact O-N 3.45Å |
| 165 | K | 96.2 | Very high | 94.1 | Very high | 105 Ų | 105 | 56 Ų | 56 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 174.4 | -73.7 | -173.4 | 177.7 | -176.1 | 0 | 112.1 | F158 S163 K168 F169 Y217 | F158-K165 HydrophobicContact CD1-CB 4.09Å; F158-K165 HydrophobicContact CE1-CB 3.73Å; S163-K165 PolarHBondContact O-N 3.16Å; K165-K168 PolarHBondContact O-N 3.07Å; K165-F169 WeakPolarHBondContact O-CB 3.02Å; K165-F169 PolarHBondContact O-N 3.2Å; K165-Y217 HydrophobicContact CB-CD1 3.88Å; K165-Y217 HydrophobicContact CB-CE1 3.59Å; K165-Y217 HydrophobicContact CD-CE1 4.2Å; K165-Y217 HydrophobicContact CD-CE2 4.29Å; K165-Y217 HydrophobicContact CG-CD1 4.1Å; K165-Y217 HydrophobicContact CG-CE1 3.94Å; K165-Y217 HydrophobicContact CG-CG 4.43Å; K165-Y217 WeakPolarHBondContact O-CD1 3.47Å |
| 166 | A | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F158 K161 S163 F169 L170 | F158-A166 HydrophobicContact CB-CB 3.92Å; F158-A166 HydrophobicContact CD1-CB 4.3Å; F158-A166 HydrophobicContact CD2-CB 3.68Å; F158-A166 HydrophobicContact CE2-CB 4.32Å; F158-A166 HydrophobicContact CG-CB 3.68Å; K161-A166 WeakPolarHBondContact O-CB 3.34Å; S163-A166 PolarHBondContact O-N 3.27Å; S163-A166 VanDerWaalsContact OG-CB 3.31Å; S163-A166 WeakPolarHBondContact OG-CB 3.39Å; S163-A166 PolarHBondContact OG-N 2.84Å; A166-F169 PolarHBondContact O-N 2.77Å; A166-L170 WeakPolarHBondContact O-CB 3.32Å; A166-L170 VanDerWaalsContact O-CG 3.28Å; A166-L170 WeakPolarHBondContact O-CG 3.49Å; A166-L170 PolarHBondContact O-N 3.06Å |
| 167 | K | 95.5 | Very high | 92.4 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 176.6 | -72.3 | 172.4 | 179.2 | 155.2 | 0 | 111.9 | D162 S163 F169 L170 E171 | D162-K167 WeakPolarHBondContact O-CE 3.46Å; D162-K167 PolarHBondContact O-NZ 2.99Å; S163-K167 PolarHBondContact O-N 3.23Å; K167-F169 VanDerWaalsContact C-N 3.34Å; K167-F169 PolarHBondContact O-N 2.99Å; K167-L170 PolarHBondContact O-N 3.3Å; K167-E171 WeakPolarHBondContact O-CB 3.33Å; K167-E171 PolarHBondContact O-N 3.49Å |
| 168 | K | 96.1 | Very high | 91.3 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.7 | -72.7 | 173.8 | 172 | -163.3 | 0 | 112.3 | D164 K165 E171 S172 Y217 | D164-K168 WeakPolarHBondContact O-CB 3.41Å; D164-K168 VanDerWaalsContact O-CG 3.26Å; D164-K168 WeakPolarHBondContact O-CG 3.32Å; D164-K168 PolarHBondContact O-N 3.45Å; K165-K168 PolarHBondContact O-N 3.07Å; K168-E171 PolarHBondContact O-N 2.95Å; K168-S172 PolarHBondContact O-N 2.92Å; K168-S172 PolarHBondContact O-OG 2.97Å; K168-S172 VanDerWaalsContact O-OG 3.06Å; K168-Y217 HydrophobicContact CB-CD1 4.47Å; K168-Y217 WeakPolarHBondContact CD-O 3.31Å |
| 169 | F | 96.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 174.2 | 168.7 | -103.4 | 0 | 0 | 0 | 112 | A135 V154 G156 F158 K165 A166 K167 S172 A173 F181 G182 I183 I200 | A135-F169 HydrophobicContact CB-CE1 4.38Å; V154-F169 HydrophobicContact CG1-CE2 3.99Å; G156-F169 VanDerWaalsContact N-CZ 3.28Å; F158-F169 HydrophobicContact CE2-CB 3.73Å; F158-F169 AromaticContact CE2-CD1 3.7Å; F158-F169 HydrophobicContact CE2-CD1 3.7Å; F158-F169 HydrophobicContact CE2-CE1 4.47Å; F158-F169 AromaticContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CZ-CB 3.85Å; F158-F169 HydrophobicContact CZ-CG 4.15Å; K165-F169 WeakPolarHBondContact O-CB 3.02Å; K165-F169 PolarHBondContact O-N 3.2Å; A166-F169 PolarHBondContact O-N 2.77Å; K167-F169 VanDerWaalsContact C-N 3.34Å; K167-F169 PolarHBondContact O-N 2.99Å; F169-S172 PolarHBondContact O-N 2.73Å; F169-A173 VanDerWaalsContact O-CB 3.32Å; F169-A173 WeakPolarHBondContact O-CB 3.49Å; F169-A173 PolarHBondContact O-N 2.91Å; F169-F181 AromaticContact CE2-CD1 3.78Å; F169-F181 HydrophobicContact CE2-CD1 3.78Å; F169-F181 HydrophobicContact CE2-CE1 4.19Å; F169-F181 HydrophobicContact CZ-CB 4.4Å; F169-F181 AromaticContact CZ-CD1 3.72Å; F169-F181 HydrophobicContact CZ-CD1 3.72Å; F169-G182 WeakPolarHBondContact CE1-O 3.36Å; F169-G182 WeakPolarHBondContact CZ-O 3.39Å; F169-I183 HydrophobicContact CD1-CD1 4.36Å; F169-I183 HydrophobicContact CE1-CB 4.34Å; F169-I200 HydrophobicContact CB-CD1 4.29Å; F169-I200 HydrophobicContact CD2-CD1 3.59Å; F169-I200 HydrophobicContact CD2-CG1 3.72Å; F169-I200 HydrophobicContact CD2-CG2 4.35Å; F169-I200 HydrophobicContact CE2-CD1 4.38Å; F169-I200 HydrophobicContact CE2-CG1 4.19Å; F169-I200 HydrophobicContact CE2-CG2 4.08Å; F169-I200 HydrophobicContact CG-CD1 4.32Å; F169-I200 HydrophobicContact CG-CG1 4.41Å |
| 170 | L | 93.9 | Very high | 90.4 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 179.4 | -70.2 | 170.3 | 0 | 0 | 0 | 112.2 | V134 A135 A166 K167 A173 G174 I183 | V134-L170 HydrophobicContact CG2-CB 4.09Å; V134-L170 HydrophobicContact CG2-CD2 3.67Å; V134-L170 HydrophobicContact CG2-CG 4.47Å; A135-L170 HydrophobicContact CB-CD2 3.79Å; A166-L170 WeakPolarHBondContact O-CB 3.32Å; A166-L170 VanDerWaalsContact O-CG 3.28Å; A166-L170 WeakPolarHBondContact O-CG 3.49Å; A166-L170 PolarHBondContact O-N 3.06Å; K167-L170 PolarHBondContact O-N 3.3Å; L170-A173 PolarHBondContact O-N 3.45Å; L170-G174 PolarHBondContact O-N 2.76Å; L170-I183 HydrophobicContact CD1-CD1 4.06Å; L170-I183 HydrophobicContact CD2-CD1 3.88Å; L170-I183 HydrophobicContact CG-CD1 4.03Å |
| 171 | E | 90.8 | Very high | 90.5 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.3 | -51.9 | 171.6 | -178 | -176.1 | 175.9 | 0 | 0 | 110.7 | K167 K168 A173 G174 L175 | K167-E171 WeakPolarHBondContact O-CB 3.33Å; K167-E171 PolarHBondContact O-N 3.49Å; K168-E171 PolarHBondContact O-N 2.95Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 2.66Å; E171-G174 PolarHBondContact O-N 3.08Å; E171-G174 VanDerWaalsContact O-N 3.12Å; E171-L175 HydrophobicContact CG-CD1 4.44Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.38Å |
| 172 | S | 92.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | K168 F169 G174 L175 I176 T219 | K168-S172 PolarHBondContact O-N 2.92Å; K168-S172 PolarHBondContact O-OG 2.97Å; K168-S172 VanDerWaalsContact O-OG 3.06Å; F169-S172 PolarHBondContact O-N 2.73Å; S172-G174 PolarHBondContact O-N 3.34Å; S172-L175 PolarHBondContact O-N 2.82Å; S172-L175 VanDerWaalsContact O-N 3.07Å; S172-I176 WeakPolarHBondContact O-CB 3.29Å; S172-I176 VanDerWaalsContact O-CG1 3.24Å; S172-I176 WeakPolarHBondContact O-CG1 3.27Å; S172-I176 PolarHBondContact O-N 3.4Å; S172-T219 VanDerWaalsContact OG-CA 3.26Å; S172-T219 WeakPolarHBondContact OG-CA 3.2Å; S172-T219 PolarHBondContact OG-OG1 3.41Å |
| 173 | A | 91.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -32 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V134 F169 L170 E171 L175 F181 | V134-A173 HydrophobicContact CB-CB 4.46Å; F169-A173 VanDerWaalsContact O-CB 3.32Å; F169-A173 WeakPolarHBondContact O-CB 3.49Å; F169-A173 PolarHBondContact O-N 2.91Å; L170-A173 PolarHBondContact O-N 3.45Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 2.66Å; A173-L175 VanDerWaalsContact C-N 3.32Å; A173-F181 HydrophobicContact CB-CB 3.88Å; A173-F181 HydrophobicContact CB-CD1 3.64Å; A173-F181 HydrophobicContact CB-CD2 3.69Å; A173-F181 HydrophobicContact CB-CE1 4.03Å; A173-F181 HydrophobicContact CB-CE2 4.08Å; A173-F181 HydrophobicContact CB-CG 3.45Å; A173-F181 VanDerWaalsContact CB-CG 3.45Å; A173-F181 HydrophobicContact CB-CZ 4.25Å |
| 174 | G | 84.6 | Confident | 91.4 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -26.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L170 E171 S172 | L170-G174 PolarHBondContact O-N 2.76Å; E171-G174 PolarHBondContact O-N 3.08Å; E171-G174 VanDerWaalsContact O-N 3.12Å; S172-G174 PolarHBondContact O-N 3.34Å |
| 175 | L | 83.9 | Confident | 91.5 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -101.8 | -16.7 | -174.8 | -63.5 | 172 | 0 | 0 | 0 | 113.9 | N110 E171 S172 A173 T219 | N110-L175 WeakPolarHBondContact ND2-CD2 2.89Å; E171-L175 HydrophobicContact CG-CD1 4.44Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.38Å; S172-L175 PolarHBondContact O-N 2.82Å; S172-L175 VanDerWaalsContact O-N 3.07Å; A173-L175 VanDerWaalsContact C-N 3.32Å; L175-T219 HydrophobicContact CB-CG2 3.95Å; L175-T219 HydrophobicContact CD1-CG2 3.93Å |
| 176 | I | 85.8 | Confident | 91.6 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | trans | -95.6 | 106.2 | -178 | -63.7 | 170.1 | 0 | 0 | 0 | 110 | S172 F181 T219 L222 K223 I226 | S172-I176 WeakPolarHBondContact O-CB 3.29Å; S172-I176 VanDerWaalsContact O-CG1 3.24Å; S172-I176 WeakPolarHBondContact O-CG1 3.27Å; S172-I176 PolarHBondContact O-N 3.4Å; I176-F181 HydrophobicContact CB-CE2 4.05Å; I176-F181 HydrophobicContact CB-CZ 3.85Å; I176-F181 HydrophobicContact CD1-CZ 4.28Å; I176-F181 HydrophobicContact CG2-CE2 4.23Å; I176-F181 HydrophobicContact CG2-CZ 3.95Å; I176-T219 HydrophobicContact CG1-CG2 4.34Å; I176-L222 HydrophobicContact CD1-CB 4.07Å; I176-K223 HydrophobicContact CD1-CB 4.03Å; I176-K223 HydrophobicContact CG1-CB 4.12Å; I176-K223 HydrophobicContact CG1-CG 4.41Å; I176-I226 HydrophobicContact CD1-CD1 3.83Å; I176-I226 HydrophobicContact CG2-CD1 4.32Å | ||
| 177 | D | 76.4 | Confident | 91.7 | Very high | 64 Ų | 64 | 49.6 Ų | 49.6 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 166.5 | 177.4 | -70.1 | -52.4 | 0 | 0 | 0 | 114.2 | I112 T179 | I112-D177 WeakPolarHBondContact CD1-OD1 3.4Å; I112-D177 WeakPolarHBondContact CG1-OD1 3.47Å; D177-T179 PolarHBondContact O-N 2.82Å; D177-T179 PolarHBondContact O-OG1 3.27Å |
| 178 | N | 76.3 | Confident | 91.8 | Very high | 152 Ų | 152 | 46.7 Ų | 46.7 | 81% | 0.813 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 15.3 | 176.4 | -63.4 | -30 | 0 | 0 | 0 | 115.3 | ||
| 179 | T | 86.7 | Confident | 91.9 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | trans | -121.3 | 137.1 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 108.5 | V154 D177 F181 I226 | V154-T179 HydrophobicContact CB-CG2 4.35Å; V154-T179 HydrophobicContact CG2-CG2 3.63Å; D177-T179 PolarHBondContact O-N 2.82Å; D177-T179 PolarHBondContact O-OG1 3.27Å; T179-F181 HydrophobicContact CG2-CD2 4.22Å; T179-F181 HydrophobicContact CG2-CE1 4.17Å; T179-F181 HydrophobicContact CG2-CE2 3.64Å; T179-F181 HydrophobicContact CG2-CZ 3.61Å; T179-I226 HydrophobicContact CG2-CD1 4.45Å; T179-I226 HydrophobicContact CG2-CG2 3.92Å | ||
| 180 | I | 90.6 | Very high | 92 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.6 | 179.6 | -64.6 | 167.9 | 0 | 0 | 0 | 107.8 | F147 Q151 V153 V154 | F147-I180 HydrophobicContact CE2-CG2 3.63Å; F147-I180 HydrophobicContact CZ-CG2 3.5Å; Q151-I180 HydrophobicContact CG-CD1 4.42Å; V153-I180 CarbonylContact C-O 3.56Å; V153-I180 VanDerWaalsContact CA-O 3.27Å; V153-I180 WeakPolarHBondContact CA-O 3.4Å; V153-I180 WeakPolarHBondContact CB-O 3.42Å; V153-I180 HydrophobicContact CG1-CB 4.09Å; V153-I180 HydrophobicContact CG1-CG2 4.11Å; V154-I180 PolarHBondContact N-O 3.41Å |
| 181 | F | 96.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.7 | -176.4 | -66.7 | -91.9 | 0 | 0 | 0 | 112.1 | A135 K136 F147 V154 F169 A173 I176 T179 I226 | A135-F181 CarbonylContact C-O 3.59Å; A135-F181 VanDerWaalsContact CA-O 3.26Å; A135-F181 WeakPolarHBondContact CA-O 3.36Å; A135-F181 HydrophobicContact CB-CB 3.81Å; K136-F181 PolarHBondContact N-O 3.04Å; F147-F181 WeakPolarHBondContact CZ-O 3.42Å; V154-F181 HydrophobicContact CB-CD1 3.66Å; V154-F181 HydrophobicContact CB-CE1 3.69Å; V154-F181 HydrophobicContact CG1-CD1 3.98Å; V154-F181 HydrophobicContact CG1-CE1 3.87Å; V154-F181 HydrophobicContact CG2-CE1 4.17Å; V154-F181 CarbonylContact O-C 3.51Å; V154-F181 VanDerWaalsContact O-CA 3.24Å; V154-F181 WeakPolarHBondContact O-CA 3.21Å; F169-F181 AromaticContact CE2-CD1 3.78Å; F169-F181 HydrophobicContact CE2-CD1 3.78Å; F169-F181 HydrophobicContact CE2-CE1 4.19Å; F169-F181 HydrophobicContact CZ-CB 4.4Å; F169-F181 AromaticContact CZ-CD1 3.72Å; F169-F181 HydrophobicContact CZ-CD1 3.72Å; A173-F181 HydrophobicContact CB-CB 3.88Å; A173-F181 HydrophobicContact CB-CD1 3.64Å; A173-F181 HydrophobicContact CB-CD2 3.69Å; A173-F181 HydrophobicContact CB-CE1 4.03Å; A173-F181 HydrophobicContact CB-CE2 4.08Å; A173-F181 HydrophobicContact CB-CG 3.45Å; A173-F181 VanDerWaalsContact CB-CG 3.45Å; A173-F181 HydrophobicContact CB-CZ 4.25Å; I176-F181 HydrophobicContact CB-CE2 4.05Å; I176-F181 HydrophobicContact CB-CZ 3.85Å; I176-F181 HydrophobicContact CD1-CZ 4.28Å; I176-F181 HydrophobicContact CG2-CE2 4.23Å; I176-F181 HydrophobicContact CG2-CZ 3.95Å; T179-F181 HydrophobicContact CG2-CD2 4.22Å; T179-F181 HydrophobicContact CG2-CE1 4.17Å; T179-F181 HydrophobicContact CG2-CE2 3.64Å; T179-F181 HydrophobicContact CG2-CZ 3.61Å; F181-I226 HydrophobicContact CE1-CD1 3.77Å; F181-I226 HydrophobicContact CZ-CD1 3.71Å |
| 182 | G | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 157.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K136 V154 I155 G156 F169 | K136-G182 CarbonylContact O-C 3.5Å; K136-G182 VanDerWaalsContact O-CA 3.23Å; K136-G182 WeakPolarHBondContact O-CA 3.38Å; V154-G182 PolarHBondContact O-N 3.49Å; I155-G182 WeakPolarHBondContact CA-O 3.47Å; G156-G182 PolarHBondContact N-O 3.19Å; F169-G182 WeakPolarHBondContact CE1-O 3.36Å; F169-G182 WeakPolarHBondContact CZ-O 3.39Å |
| 183 | I | 98.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.8 | 171.8 | -169.3 | 167.2 | 0 | 0 | 0 | 110.1 | A135 K136 E137 L138 G156 F158 F169 L170 | A135-I183 HydrophobicContact CB-CB 4.1Å; A135-I183 HydrophobicContact CB-CG2 4.03Å; K136-I183 PolarHBondContact O-N 2.74Å; E137-I183 WeakPolarHBondContact CA-O 3.35Å; L138-I183 PolarHBondContact N-O 3.07Å; G156-I183 CarbonylContact O-C 3.58Å; G156-I183 VanDerWaalsContact O-CA 3.32Å; G156-I183 WeakPolarHBondContact O-CA 3.41Å; F158-I183 HydrophobicContact CD2-CD1 4.05Å; F158-I183 HydrophobicContact CD2-CG1 4.23Å; F169-I183 HydrophobicContact CD1-CD1 4.36Å; F169-I183 HydrophobicContact CE1-CB 4.34Å; L170-I183 HydrophobicContact CD1-CD1 4.06Å; L170-I183 HydrophobicContact CD2-CD1 3.88Å; L170-I183 HydrophobicContact CG-CD1 4.03Å |
| 184 | T | 98.5 | Very high | 93 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 147.7 | 178.9 | -168.8 | 0 | 0 | 0 | 0 | 113 | L138 I155 G156 F157 F158 E186 V189 Y190 | L138-T184 WeakPolarHBondContact O-CB 3.5Å; L138-T184 PolarHBondContact O-OG1 2.86Å; I155-T184 HydrophobicContact CG2-CG2 4.3Å; G156-T184 PolarHBondContact O-N 3.4Å; F157-T184 HydrophobicContact CD1-CG2 3.5Å; F157-T184 VanDerWaalsContact CD1-CG2 3.5Å; F157-T184 HydrophobicContact CE1-CG2 3.78Å; F157-T184 HydrophobicContact CG-CG2 4.17Å; F158-T184 PolarHBondContact N-O 2.81Å; T184-E186 PolarHBondContact OG1-N 2.81Å; T184-V189 HydrophobicContact CG2-CB 4.1Å; T184-V189 HydrophobicContact CG2-CG1 3.71Å; T184-Y190 HydrophobicContact CG2-CD2 4.29Å; T184-Y190 HydrophobicContact CG2-CE2 4.02Å |
| 185 | S | 98.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | trans | -115.6 | -5.3 | 168.2 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | F158 K159 K161 | F158-S185 WeakPolarHBondContact O-CA 3.39Å; F158-S185 VanDerWaalsContact O-CB 3.3Å; F158-S185 WeakPolarHBondContact O-CB 3.36Å; F158-S185 PolarHBondContact O-OG 3.44Å; K159-S185 PolarHBondContact NZ-O 3Å; K161-S185 VanDerWaalsContact CE-OG 3.25Å; K161-S185 WeakPolarHBondContact CE-OG 3.48Å; K161-S185 WeakPolarHBondContact CG-OG 3.38Å | ||
| 186 | E | 98.2 | Very high | 94 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | -81 | 123.7 | -165.9 | -62.1 | -54.5 | 134.1 | 0 | 0 | 112.7 | T184 S188 V189 Y190 | T184-E186 PolarHBondContact OG1-N 2.81Å; E186-S188 PolarHBondContact O-N 2.95Å; E186-S188 VanDerWaalsContact O-N 3.08Å; E186-V189 HydrophobicContact CB-CB 4.44Å; E186-V189 HydrophobicContact CB-CG2 4.06Å; E186-V189 PolarHBondContact O-N 3.18Å; E186-Y190 WeakPolarHBondContact O-CD2 3.35Å; E186-Y190 PolarHBondContact O-N 3.29Å; E186-Y190 VanDerWaalsContact O-N 3.14Å | ||
| 187 | D | 97.7 | Very high | 94.5 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -53.2 | -34.4 | 178.1 | -71.6 | -27.3 | 0 | 0 | 0 | 113 | K159 V189 Y190 K191 | K159-D187 WeakPolarHBondContact CE-OD1 3.24Å; K159-D187 IonicContact NZ-OD1 2.98Å; K159-D187 PolarHBondContact NZ-OD1 3.28Å; D187-V189 VanDerWaalsContact C-N 3.32Å; D187-V189 PolarHBondContact O-N 3.27Å; D187-Y190 PolarHBondContact O-N 2.93Å; D187-K191 WeakPolarHBondContact O-CB 3.35Å; D187-K191 PolarHBondContact O-N 2.84Å |
| 188 | S | 97.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.8 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | E186 E192 | E186-S188 PolarHBondContact O-N 2.95Å; E186-S188 VanDerWaalsContact O-N 3.08Å; S188-E192 VanDerWaalsContact O-CB 3.3Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 2.96Å |
| 189 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.7 | -39.3 | 178.3 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | A144 F157 T184 E186 D187 K191 E192 L193 | A144-V189 HydrophobicContact CB-CB 4.43Å; A144-V189 HydrophobicContact CB-CG1 3.56Å; A144-V189 HydrophobicContact CB-CG2 4.16Å; F157-V189 HydrophobicContact CE1-CG1 4.15Å; T184-V189 HydrophobicContact CG2-CB 4.1Å; T184-V189 HydrophobicContact CG2-CG1 3.71Å; E186-V189 HydrophobicContact CB-CB 4.44Å; E186-V189 HydrophobicContact CB-CG2 4.06Å; E186-V189 PolarHBondContact O-N 3.18Å; D187-V189 VanDerWaalsContact C-N 3.32Å; D187-V189 PolarHBondContact O-N 3.27Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.39Å; V189-E192 PolarHBondContact O-N 2.96Å; V189-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 HydrophobicContact CG1-CG 4.34Å; V189-L193 WeakPolarHBondContact O-CB 3.28Å; V189-L193 PolarHBondContact O-N 3.13Å |
| 190 | Y | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 174.6 | -79.9 | -120.5 | 0 | 0 | 0 | 110.9 | F157 F158 K159 T184 E186 D187 K194 A195 G197 D198 | F157-Y190 HydrophobicContact CB-CE1 3.93Å; F157-Y190 HydrophobicContact CB-CE2 4.18Å; F157-Y190 HydrophobicContact CD1-CD1 4.28Å; F157-Y190 AromaticContact CD1-CD2 3.81Å; F157-Y190 HydrophobicContact CD1-CD2 3.81Å; F157-Y190 HydrophobicContact CD1-CE1 4.34Å; F157-Y190 AromaticContact CD1-CE2 3.88Å; F157-Y190 HydrophobicContact CD1-CE2 3.88Å; F157-Y190 HydrophobicContact CD1-CG 4.04Å; F158-Y190 VanDerWaalsContact CA-OH 3.28Å; F158-Y190 WeakPolarHBondContact CA-OH 3.45Å; F158-Y190 PolarHBondContact N-OH 2.91Å; K159-Y190 HydrophobicContact CD-CE1 4.46Å; K159-Y190 VanDerWaalsContact CE-CZ 3.49Å; K159-Y190 PolarHBondContact N-OH 2.79Å; K159-Y190 VanDerWaalsContact N-OH 3.11Å; T184-Y190 HydrophobicContact CG2-CD2 4.29Å; T184-Y190 HydrophobicContact CG2-CE2 4.02Å; E186-Y190 WeakPolarHBondContact O-CD2 3.35Å; E186-Y190 PolarHBondContact O-N 3.29Å; E186-Y190 VanDerWaalsContact O-N 3.14Å; D187-Y190 PolarHBondContact O-N 2.93Å; Y190-K194 WeakPolarHBondContact O-CA 3.47Å; Y190-K194 PolarHBondContact O-N 3.12Å; Y190-A195 HydrophobicContact CD1-CB 4.17Å; Y190-A195 HydrophobicContact CG-CB 4.44Å; Y190-A195 PolarHBondContact O-N 3.41Å; Y190-G197 WeakPolarHBondContact CE1-O 3.39Å; Y190-D198 PolarHBondContact OH-OD1 3.3Å |
| 191 | K | 97.8 | Very high | 97.4 | Very high | 177 Ų | 177 | 48.7 Ų | 48.7 | 77% | 0.77 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.8 | -44.9 | 178.7 | -175.9 | 178.2 | 178.6 | -179.9 | 0 | 112.1 | D187 V189 K194 | D187-K191 WeakPolarHBondContact O-CB 3.35Å; D187-K191 PolarHBondContact O-N 2.84Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.39Å; K191-K194 PolarHBondContact O-N 3.37Å |
| 192 | E | 97.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | -179.1 | -176.9 | 58.9 | -127.5 | 0 | 0 | 111.7 | A141 K145 S188 V189 K194 | A141-E192 HydrophobicContact CB-CB 3.78Å; A141-E192 HydrophobicContact CB-CG 3.83Å; K145-E192 WeakPolarHBondContact CE-OE1 3.31Å; K145-E192 VanDerWaalsContact CE-OE2 3.26Å; K145-E192 WeakPolarHBondContact CE-OE2 3.41Å; K145-E192 HydrophobicContact CG-CG 3.92Å; K145-E192 IonicContact NZ-OE1 2.61Å; K145-E192 PolarHBondContact NZ-OE1 3.25Å; K145-E192 IonicContact NZ-OE2 2.87Å; K145-E192 PolarHBondContact NZ-OE2 3.04Å; S188-E192 VanDerWaalsContact O-CB 3.3Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 2.96Å; V189-E192 PolarHBondContact O-N 2.96Å; E192-K194 VanDerWaalsContact C-N 3.33Å |
| 193 | L | 97.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -90.2 | 4.9 | -177.7 | -61.7 | -169.7 | 0 | 0 | 0 | 113.9 | A144 I148 I155 F157 V189 A195 F203 | A144-L193 HydrophobicContact CB-CD1 3.96Å; A144-L193 HydrophobicContact CB-CG 4.23Å; I148-L193 HydrophobicContact CD1-CD2 3.6Å; I148-L193 HydrophobicContact CG1-CD2 4.3Å; I148-L193 HydrophobicContact CG2-CD1 4.28Å; I155-L193 HydrophobicContact CD1-CD1 3.51Å; F157-L193 HydrophobicContact CE1-CB 4.19Å; F157-L193 HydrophobicContact CE1-CD1 4.36Å; F157-L193 HydrophobicContact CZ-CB 3.88Å; F157-L193 HydrophobicContact CZ-CD1 3.8Å; F157-L193 HydrophobicContact CZ-CG 4.47Å; V189-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 HydrophobicContact CG1-CG 4.34Å; V189-L193 WeakPolarHBondContact O-CB 3.28Å; V189-L193 PolarHBondContact O-N 3.13Å; L193-A195 PolarHBondContact O-N 3.17Å; L193-F203 HydrophobicContact CB-CE1 4.45Å; L193-F203 HydrophobicContact CB-CZ 3.92Å; L193-F203 HydrophobicContact CD1-CE2 4.07Å; L193-F203 HydrophobicContact CD1-CZ 3.97Å; L193-F203 HydrophobicContact CD2-CE1 4.48Å; L193-F203 HydrophobicContact CG-CZ 4.37Å |
| 194 | K | 96.5 | Very high | 97.5 | Very high | 146 Ų | 146 | 48.2 Ų | 48.2 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 52.7 | 178.8 | -54.2 | 177.7 | -175.8 | 176.4 | 0 | 112 | Y190 K191 E192 R210 | Y190-K194 WeakPolarHBondContact O-CA 3.47Å; Y190-K194 PolarHBondContact O-N 3.12Å; K191-K194 PolarHBondContact O-N 3.37Å; E192-K194 VanDerWaalsContact C-N 3.33Å; K194-R210 PolarHBondContact O-NH2 3.28Å; K194-R210 VanDerWaalsContact O-NH2 3.09Å |
| 195 | A | 97 | Very high | 97.2 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -93 | 122 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F157 Y190 L193 G197 I201 | F157-A195 HydrophobicContact CB-CB 4.44Å; F157-A195 HydrophobicContact CD1-CB 3.41Å; F157-A195 VanDerWaalsContact CD1-CB 3.41Å; F157-A195 HydrophobicContact CD2-CB 4.1Å; F157-A195 HydrophobicContact CE1-CB 3.51Å; F157-A195 HydrophobicContact CE2-CB 4.2Å; F157-A195 HydrophobicContact CG-CB 3.72Å; F157-A195 HydrophobicContact CZ-CB 3.92Å; Y190-A195 HydrophobicContact CD1-CB 4.17Å; Y190-A195 HydrophobicContact CG-CB 4.44Å; Y190-A195 PolarHBondContact O-N 3.41Å; L193-A195 PolarHBondContact O-N 3.17Å; A195-G197 PolarHBondContact O-N 3.15Å; A195-I201 HydrophobicContact CB-CD1 3.86Å | ||
| 196 | D | 92.8 | Very high | 96.9 | Very high | 170 Ų | 170 | 53.2 Ų | 53.2 | 91% | 0.909 | 28% | 0.281 | S | S | * | . | trans | -84.1 | 6.2 | -173.4 | -61.1 | -43.6 | 0 | 0 | 0 | 113.7 | ||||
| 197 | G | 95.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 156.5 | -162.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y190 A195 G199 | Y190-G197 WeakPolarHBondContact CE1-O 3.39Å; A195-G197 PolarHBondContact O-N 3.15Å; G197-G199 PolarHBondContact O-N 3.24Å |
| 198 | D | 97.5 | Very high | 96.3 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -66.5 | 130.3 | 177.7 | -77 | 10.4 | 0 | 0 | 0 | 110.9 | F157 F158 K159 Y190 | F157-D198 CarbonylContact O-C 3.5Å; F157-D198 WeakPolarHBondContact O-CA 3.36Å; F158-D198 WeakPolarHBondContact CA-OD1 3.25Å; F158-D198 HydrophobicContact CD1-CB 4.24Å; K159-D198 PolarHBondContact N-OD1 3.11Å; Y190-D198 PolarHBondContact OH-OD1 3.3Å |
| 199 | G | 98 | Very high | 96.1 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -178 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F157 G197 Y217 | F157-G199 PolarHBondContact N-O 3.45Å; F157-G199 PolarHBondContact O-N 3Å; G197-G199 PolarHBondContact O-N 3.24Å; G199-Y217 WeakPolarHBondContact CA-OH 3.44Å |
| 200 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.8 | 175.5 | -60.4 | 164.8 | 0 | 0 | 0 | 107.6 | V154 I155 F158 F169 Y213 Y217 L222 W225 | V154-I200 HydrophobicContact CG1-CG2 3.43Å; V154-I200 VanDerWaalsContact CG1-CG2 3.43Å; I155-I200 WeakPolarHBondContact O-CA 3.45Å; F158-I200 HydrophobicContact CZ-CG1 4Å; F169-I200 HydrophobicContact CB-CD1 4.29Å; F169-I200 HydrophobicContact CD2-CD1 3.59Å; F169-I200 HydrophobicContact CD2-CG1 3.72Å; F169-I200 HydrophobicContact CD2-CG2 4.35Å; F169-I200 HydrophobicContact CE2-CD1 4.38Å; F169-I200 HydrophobicContact CE2-CG1 4.19Å; F169-I200 HydrophobicContact CE2-CG2 4.08Å; F169-I200 HydrophobicContact CG-CD1 4.32Å; F169-I200 HydrophobicContact CG-CG1 4.41Å; I200-Y213 HydrophobicContact CB-CD1 4.48Å; I200-Y213 HydrophobicContact CD1-CD1 4.13Å; I200-Y213 WeakPolarHBondContact O-CB 3.36Å; I200-Y213 PolarHBondContact O-N 3.08Å; I200-Y217 HydrophobicContact CD1-CD1 4.07Å; I200-Y217 HydrophobicContact CD1-CE1 3.6Å; I200-Y217 HydrophobicContact CG1-CE1 4.1Å; I200-L222 HydrophobicContact CD1-CD1 3.98Å; I200-L222 HydrophobicContact CD1-CD2 3.73Å; I200-L222 HydrophobicContact CG2-CD2 4.49Å; I200-W225 HydrophobicContact CG2-CZ3 4.24Å |
| 201 | I | 98.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.4 | 178.2 | -50.4 | 178.6 | 0 | 0 | 0 | 108.7 | I155 F157 A195 F203 E211 | I155-I201 PolarHBondContact N-O 3.44Å; I155-I201 PolarHBondContact O-N 2.91Å; F157-I201 HydrophobicContact CD2-CD1 4.01Å; F157-I201 HydrophobicContact CD2-CG1 4.05Å; F157-I201 HydrophobicContact CE2-CB 3.97Å; F157-I201 HydrophobicContact CE2-CD1 3.66Å; F157-I201 HydrophobicContact CE2-CG1 3.86Å; F157-I201 HydrophobicContact CZ-CD1 4.27Å; A195-I201 HydrophobicContact CB-CD1 3.86Å; I201-F203 HydrophobicContact CB-CE2 3.76Å; I201-F203 HydrophobicContact CB-CZ 4.08Å; I201-F203 HydrophobicContact CG2-CD2 4.17Å; I201-F203 HydrophobicContact CG2-CE1 4.16Å; I201-F203 HydrophobicContact CG2-CE2 3.56Å; I201-F203 HydrophobicContact CG2-CZ 3.55Å; I201-E211 WeakPolarHBondContact CA-O 3.27Å; I201-E211 WeakPolarHBondContact CG2-O 3.37Å |
| 202 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.9 | 170.3 | 179.7 | 155 | 0 | 0 | 0 | 108.6 | V152 V153 V154 K204 R210 E211 W225 I226 N229 | V152-L202 HydrophobicContact CG1-CD1 4.08Å; V152-L202 HydrophobicContact CG1-CD2 4.14Å; V152-L202 HydrophobicContact CG1-CG 4.1Å; V153-L202 CarbonylContact O-C 3.54Å; V153-L202 WeakPolarHBondContact O-CA 3.3Å; V154-L202 HydrophobicContact CG2-CB 4.2Å; V154-L202 HydrophobicContact CG2-CD1 3.99Å; V154-L202 HydrophobicContact CG2-CG 4.12Å; L202-K204 HydrophobicContact CD2-CB 4.08Å; L202-K204 HydrophobicContact CD2-CD 3.74Å; L202-K204 HydrophobicContact CD2-CG 4.2Å; L202-R210 CarbonylContact O-C 3.57Å; L202-R210 VanDerWaalsContact O-CA 3.31Å; L202-R210 WeakPolarHBondContact O-CA 3.28Å; L202-E211 HydrophobicContact CB-CB 4.45Å; L202-E211 PolarHBondContact N-O 3.1Å; L202-E211 PolarHBondContact O-N 2.96Å; L202-W225 HydrophobicContact CB-CH2 3.42Å; L202-W225 VanDerWaalsContact CB-CH2 3.42Å; L202-W225 HydrophobicContact CB-CZ2 4.27Å; L202-W225 HydrophobicContact CB-CZ3 3.78Å; L202-W225 HydrophobicContact CD1-CZ3 4.41Å; L202-I226 HydrophobicContact CD1-CG1 4.47Å; L202-I226 HydrophobicContact CD1-CG2 4.4Å; L202-N229 HydrophobicContact CD1-CB 3.87Å; L202-N229 HydrophobicContact CD2-CB 4.27Å |
| 203 | F | 98.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.1 | 173.3 | -63.2 | -90.9 | 0 | 0 | 0 | 109.8 | I148 V152 V153 I155 F157 L193 I201 A209 R210 | I148-F203 HydrophobicContact CB-CB 3.81Å; I148-F203 HydrophobicContact CB-CD1 4.36Å; I148-F203 HydrophobicContact CB-CG 4.02Å; I148-F203 HydrophobicContact CD1-CD1 3.85Å; I148-F203 HydrophobicContact CD1-CE1 4.26Å; I148-F203 HydrophobicContact CD1-CG 4.37Å; I148-F203 HydrophobicContact CG2-CB 3.74Å; I148-F203 HydrophobicContact CG2-CD1 4.13Å; I148-F203 HydrophobicContact CG2-CD2 3.68Å; I148-F203 HydrophobicContact CG2-CE2 4.33Å; I148-F203 HydrophobicContact CG2-CG 3.57Å; V152-F203 WeakPolarHBondContact CA-O 3.12Å; V153-F203 HydrophobicContact CG2-CB 3.97Å; V153-F203 HydrophobicContact CG2-CD2 4.49Å; V153-F203 PolarHBondContact N-O 3.2Å; V153-F203 PolarHBondContact O-N 2.84Å; I155-F203 HydrophobicContact CB-CE2 4.3Å; I155-F203 HydrophobicContact CD1-CD2 3.85Å; I155-F203 HydrophobicContact CD1-CE2 3.78Å; I155-F203 HydrophobicContact CG1-CD2 4.21Å; I155-F203 HydrophobicContact CG1-CE2 4.26Å; F157-F203 HydrophobicContact CE2-CE2 4.25Å; F157-F203 HydrophobicContact CZ-CE2 4.32Å; F157-F203 HydrophobicContact CZ-CZ 4.43Å; L193-F203 HydrophobicContact CB-CE1 4.45Å; L193-F203 HydrophobicContact CB-CZ 3.92Å; L193-F203 HydrophobicContact CD1-CE2 4.07Å; L193-F203 HydrophobicContact CD1-CZ 3.97Å; L193-F203 HydrophobicContact CD2-CE1 4.48Å; L193-F203 HydrophobicContact CG-CZ 4.37Å; I201-F203 HydrophobicContact CB-CE2 3.76Å; I201-F203 HydrophobicContact CB-CZ 4.08Å; I201-F203 HydrophobicContact CG2-CD2 4.17Å; I201-F203 HydrophobicContact CG2-CE1 4.16Å; I201-F203 HydrophobicContact CG2-CE2 3.56Å; I201-F203 HydrophobicContact CG2-CZ 3.55Å; F203-A209 WeakPolarHBondContact CA-O 3.43Å; F203-R210 HydrophobicContact CD1-CB 4.37Å; F203-R210 HydrophobicContact CE1-CB 4.4Å |
| 204 | K | 95.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | trans | -151.8 | 151.4 | -176.5 | 63.4 | -161.6 | -173 | -177.9 | 0 | 111 | V152 L202 F206 A209 E211 N229 | V152-K204 HydrophobicContact CG2-CB 4.01Å; L202-K204 HydrophobicContact CD2-CB 4.08Å; L202-K204 HydrophobicContact CD2-CD 3.74Å; L202-K204 HydrophobicContact CD2-CG 4.2Å; K204-F206 HydrophobicContact CB-CD2 4.43Å; K204-F206 HydrophobicContact CB-CE1 4.11Å; K204-F206 HydrophobicContact CB-CE2 4.05Å; K204-F206 HydrophobicContact CB-CZ 3.85Å; K204-F206 HydrophobicContact CD-CD2 3.97Å; K204-F206 HydrophobicContact CD-CE2 3.5Å; K204-F206 HydrophobicContact CD-CZ 4.06Å; K204-F206 HydrophobicContact CG-CD2 4.07Å; K204-F206 HydrophobicContact CG-CE2 3.91Å; K204-F206 HydrophobicContact CG-CZ 4.25Å; K204-F206 WeakPolarHBondContact CG-O 3.48Å; K204-F206 PolarHBondContact O-N 3.35Å; K204-A209 PolarHBondContact N-O 3.33Å; K204-A209 WeakPolarHBondContact O-CA 3.37Å; K204-A209 WeakPolarHBondContact O-CB 3.39Å; K204-E211 IonicContact NZ-OE1 2.63Å; K204-E211 PolarHBondContact NZ-OE1 3.35Å; K204-N229 WeakPolarHBondContact CD-O 3.47Å; K204-N229 PolarHBondContact NZ-O 3.01Å | ||
| 205 | P | 93 | Very high | 95.6 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -83.2 | 13.4 | -176.3 | 33.1 | -35.6 | 0 | 0 | 0 | 114.2 | ||
| 206 | F | 91.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -140.9 | 169.7 | -174.5 | 50.7 | -102.2 | 0 | 0 | 0 | 111.6 | V152 K204 D208 A209 S230 M231 P232 | V152-F206 HydrophobicContact CG2-CE1 3.91Å; V152-F206 HydrophobicContact CG2-CZ 3.9Å; K204-F206 HydrophobicContact CB-CD2 4.43Å; K204-F206 HydrophobicContact CB-CE1 4.11Å; K204-F206 HydrophobicContact CB-CE2 4.05Å; K204-F206 HydrophobicContact CB-CZ 3.85Å; K204-F206 HydrophobicContact CD-CD2 3.97Å; K204-F206 HydrophobicContact CD-CE2 3.5Å; K204-F206 HydrophobicContact CD-CZ 4.06Å; K204-F206 HydrophobicContact CG-CD2 4.07Å; K204-F206 HydrophobicContact CG-CE2 3.91Å; K204-F206 HydrophobicContact CG-CZ 4.25Å; K204-F206 WeakPolarHBondContact CG-O 3.48Å; K204-F206 PolarHBondContact O-N 3.35Å; F206-D208 PolarHBondContact O-N 3.46Å; F206-A209 WeakPolarHBondContact O-CA 3.29Å; F206-A209 PolarHBondContact O-N 3.1Å; F206-A209 VanDerWaalsContact O-N 3.09Å; F206-S230 WeakPolarHBondContact CZ-O 3.2Å; F206-M231 VanDerWaalsContact CE2-C 3.44Å; F206-P232 HydrophobicContact CD1-CG 4.03Å; F206-P232 HydrophobicContact CD2-CB 4.02Å; F206-P232 HydrophobicContact CD2-CG 3.86Å; F206-P232 HydrophobicContact CE1-CG 4.07Å; F206-P232 HydrophobicContact CE2-CB 4.23Å; F206-P232 HydrophobicContact CE2-CG 3.87Å; F206-P232 VanDerWaalsContact CE2-N 3.28Å; F206-P232 HydrophobicContact CG-CB 4.4Å; F206-P232 HydrophobicContact CG-CG 3.94Å; F206-P232 HydrophobicContact CZ-CG 4Å |
| 207 | D | 91.9 | Very high | 95.5 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | -133.7 | -176.6 | -54.7 | -37.7 | 0 | 0 | 0 | 112.3 | A209 P232 I233 | D207-A209 PolarHBondContact O-N 3.31Å; D207-A209 VanDerWaalsContact O-N 3.12Å; D207-P232 WeakPolarHBondContact OD2-CA 3.42Å; D207-I233 HydrophobicContact CB-CD1 3.95Å; D207-I233 HydrophobicContact CB-CG1 4.48Å; D207-I233 WeakPolarHBondContact OD2-CG1 3.37Å; D207-I233 PolarHBondContact OD2-N 2.72Å |
| 208 | D | 90.5 | Very high | 95.4 | Very high | 99 Ų | 99 | 53.2 Ų | 53.2 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 4.6 | -177.7 | -59.3 | -41.7 | 0 | 0 | 0 | 113.4 | F206 R210 K277 | F206-D208 PolarHBondContact O-N 3.46Å; D208-R210 PolarHBondContact O-N 3.05Å; D208-K277 IonicContact OD1-NZ 3.78Å; D208-K277 IonicContact OD2-NZ 2.67Å |
| 209 | A | 94.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 57.3 | -15.7 | 178 | 0 | 0 | 0 | 0 | 0 | 117.7 | F203 K204 F206 D207 | F203-A209 WeakPolarHBondContact CA-O 3.43Å; K204-A209 PolarHBondContact N-O 3.33Å; K204-A209 WeakPolarHBondContact O-CA 3.37Å; K204-A209 WeakPolarHBondContact O-CB 3.39Å; F206-A209 WeakPolarHBondContact O-CA 3.29Å; F206-A209 PolarHBondContact O-N 3.1Å; F206-A209 VanDerWaalsContact O-N 3.09Å; D207-A209 PolarHBondContact O-N 3.31Å; D207-A209 VanDerWaalsContact O-N 3.12Å |
| 210 | R | 96.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.2 | 179 | 68.5 | 177.2 | -65 | 175.5 | 5.2 | 111.4 | K194 L202 F203 D208 | K194-R210 PolarHBondContact O-NH2 3.28Å; K194-R210 VanDerWaalsContact O-NH2 3.09Å; L202-R210 CarbonylContact O-C 3.57Å; L202-R210 VanDerWaalsContact O-CA 3.31Å; L202-R210 WeakPolarHBondContact O-CA 3.28Å; F203-R210 HydrophobicContact CD1-CB 4.37Å; F203-R210 HydrophobicContact CE1-CB 4.4Å; D208-R210 PolarHBondContact O-N 3.05Å |
| 211 | E | 95.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 123.6 | 171.9 | -65.7 | -78.4 | -168.3 | 0 | 0 | 107.9 | I201 L202 K204 W225 N229 K280 | I201-E211 WeakPolarHBondContact CA-O 3.27Å; I201-E211 WeakPolarHBondContact CG2-O 3.37Å; L202-E211 HydrophobicContact CB-CB 4.45Å; L202-E211 PolarHBondContact N-O 3.1Å; L202-E211 PolarHBondContact O-N 2.96Å; K204-E211 IonicContact NZ-OE1 2.63Å; K204-E211 PolarHBondContact NZ-OE1 3.35Å; E211-W225 HydrophobicContact CB-CH2 4.48Å; E211-W225 HydrophobicContact CB-CZ2 3.83Å; E211-W225 WeakPolarHBondContact O-CH2 3.43Å; E211-W225 WeakPolarHBondContact O-CZ2 3.39Å; E211-N229 HydrophobicContact CB-CB 4.35Å; E211-N229 VanDerWaalsContact CD-OD1 3.29Å; E211-N229 HydrophobicContact CG-CB 4.1Å; E211-N229 WeakPolarHBondContact CG-OD1 3.48Å; E211-N229 PolarHBondContact OE1-OD1 2.66Å; E211-K280 IonicContact OE1-NZ 3.91Å; E211-K280 PolarHBondContact OE1-NZ 3.29Å |
| 212 | T | 97.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133 | 177 | -59.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 213 | Y | 97.7 | Very high | 94 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 7% | 0.071 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128 | 175.9 | -173.3 | -117.9 | 0 | 0 | 0 | 111.2 | I200 G215 E216 E221 L222 W225 | I200-Y213 HydrophobicContact CB-CD1 4.48Å; I200-Y213 HydrophobicContact CD1-CD1 4.13Å; I200-Y213 WeakPolarHBondContact O-CB 3.36Å; I200-Y213 PolarHBondContact O-N 3.08Å; Y213-G215 VanDerWaalsContact CE1-O 3.29Å; Y213-G215 WeakPolarHBondContact CE1-O 3.34Å; Y213-G215 VanDerWaalsContact CZ-C 3.48Å; Y213-G215 VanDerWaalsContact CZ-CA 3.45Å; Y213-E216 VanDerWaalsContact CE1-O 3.29Å; Y213-E216 WeakPolarHBondContact CE1-O 3.34Å; Y213-E216 PolarHBondContact OH-N 3.49Å; Y213-E216 PolarHBondContact OH-O 3.41Å; Y213-E221 WeakPolarHBondContact OH-CB 3.26Å; Y213-L222 HydrophobicContact CD1-CD2 3.58Å; Y213-L222 HydrophobicContact CD2-CD2 4.16Å; Y213-L222 HydrophobicContact CE1-CD2 3.44Å; Y213-L222 VanDerWaalsContact CE1-CD2 3.44Å; Y213-L222 HydrophobicContact CE1-CG 4.06Å; Y213-L222 HydrophobicContact CE2-CD2 4.05Å; Y213-L222 HydrophobicContact CG-CD2 3.92Å; Y213-W225 HydrophobicContact CD2-CB 4.02Å; Y213-W225 AromaticContact CD2-CD1 3.69Å; Y213-W225 AromaticContact CD2-CD2 3.4Å; Y213-W225 HydrophobicContact CD2-CD2 3.4Å; Y213-W225 AromaticContact CD2-CE2 3.69Å; Y213-W225 AromaticContact CD2-CE3 3.84Å; Y213-W225 HydrophobicContact CD2-CE3 3.84Å; Y213-W225 AromaticContact CD2-CG 3.45Å; Y213-W225 HydrophobicContact CD2-CG 3.45Å; Y213-W225 VanDerWaalsContact CD2-CG 3.45Å; Y213-W225 HydrophobicContact CD2-CZ2 4.37Å; Y213-W225 HydrophobicContact CD2-CZ3 4.48Å; Y213-W225 AromaticContact CD2-NE1 3.81Å; Y213-W225 HydrophobicContact CE2-CB 3.79Å; Y213-W225 HydrophobicContact CE2-CD2 4.12Å; Y213-W225 AromaticContact CE2-CG 3.74Å; Y213-W225 HydrophobicContact CE2-CG 3.74Å; Y213-W225 HydrophobicContact CG-CD2 4.18Å; Y213-W225 HydrophobicContact CG-CE3 4.26Å |
| 214 | D | 95 | Very high | 93.6 | Very high | 155 Ų | 155 | 68.3 Ų | 68.3 | 83% | 0.829 | 35% | 0.35 | S | S | * | . | trans | -118.6 | 3.9 | 178.7 | 62.5 | -12.3 | 0 | 0 | 0 | 113.3 | ||||
| 215 | G | 94.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 69.7 Ų | 69.7 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -86.9 | -171.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y213 | Y213-G215 VanDerWaalsContact CE1-O 3.29Å; Y213-G215 WeakPolarHBondContact CE1-O 3.34Å; Y213-G215 VanDerWaalsContact CZ-C 3.48Å; Y213-G215 VanDerWaalsContact CZ-CA 3.45Å |
| 216 | E | 94 | Very high | 93.5 | Very high | 124 Ų | 124 | 66.4 Ų | 66.4 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | trans | -76.1 | 148 | 179.6 | -62.8 | -167.7 | 177.1 | 0 | 0 | 112.7 | Y213 Q218 | Y213-E216 VanDerWaalsContact CE1-O 3.29Å; Y213-E216 WeakPolarHBondContact CE1-O 3.34Å; Y213-E216 PolarHBondContact OH-N 3.49Å; Y213-E216 PolarHBondContact OH-O 3.41Å; E216-Q218 HydrophobicContact CB-CG 4.16Å; E216-Q218 PolarHBondContact O-N 2.81Å; E216-Q218 PolarHBondContact OE2-NE2 2.69Å | ||
| 217 | Y | 93.5 | Very high | 93.2 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 14% | 0.137 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -81.5 | 69 | 179 | -76.6 | -122.2 | 0 | 0 | 0 | 109.7 | F158 K165 K168 G199 I200 | F158-Y217 AromaticContact CE1-CE1 3.73Å; F158-Y217 HydrophobicContact CE1-CE1 3.73Å; F158-Y217 AromaticContact CZ-CE1 3.71Å; F158-Y217 HydrophobicContact CZ-CE1 3.71Å; K165-Y217 HydrophobicContact CB-CD1 3.88Å; K165-Y217 HydrophobicContact CB-CE1 3.59Å; K165-Y217 HydrophobicContact CD-CE1 4.2Å; K165-Y217 HydrophobicContact CD-CE2 4.29Å; K165-Y217 HydrophobicContact CG-CD1 4.1Å; K165-Y217 HydrophobicContact CG-CE1 3.94Å; K165-Y217 HydrophobicContact CG-CG 4.43Å; K165-Y217 WeakPolarHBondContact O-CD1 3.47Å; K168-Y217 HydrophobicContact CB-CD1 4.47Å; K168-Y217 WeakPolarHBondContact CD-O 3.31Å; G199-Y217 WeakPolarHBondContact CA-OH 3.44Å; I200-Y217 HydrophobicContact CD1-CD1 4.07Å; I200-Y217 HydrophobicContact CD1-CE1 3.6Å; I200-Y217 HydrophobicContact CG1-CE1 4.1Å |
| 218 | Q | 93.4 | Very high | 93 | Very high | 99 Ų | 99 | 66 Ų | 66 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | trans | -125.4 | 140.3 | 175.4 | -57.7 | -170.2 | 9.4 | 0 | 0 | 109.1 | E216 E220 E221 L222 | E216-Q218 HydrophobicContact CB-CG 4.16Å; E216-Q218 PolarHBondContact O-N 2.81Å; E216-Q218 PolarHBondContact OE2-NE2 2.69Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 3.39Å; Q218-E221 HydrophobicContact CB-CB 4.44Å; Q218-E221 HydrophobicContact CB-CG 4.33Å; Q218-E221 PolarHBondContact O-N 2.94Å; Q218-L222 PolarHBondContact O-N 3.32Å | ||
| 219 | T | 90.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -43.3 | -175.2 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | S172 L175 I176 E221 L222 K223 | S172-T219 VanDerWaalsContact OG-CA 3.26Å; S172-T219 WeakPolarHBondContact OG-CA 3.2Å; S172-T219 PolarHBondContact OG-OG1 3.41Å; L175-T219 HydrophobicContact CB-CG2 3.95Å; L175-T219 HydrophobicContact CD1-CG2 3.93Å; I176-T219 HydrophobicContact CG1-CG2 4.34Å; T219-E221 PolarHBondContact O-N 2.77Å; T219-L222 PolarHBondContact O-N 2.85Å; T219-K223 VanDerWaalsContact O-CB 3.22Å; T219-K223 WeakPolarHBondContact O-CB 3.34Å; T219-K223 PolarHBondContact O-N 3.18Å |
| 220 | E | 91.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 61 Ų | 61 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | -179.5 | -68.3 | -54.1 | 125.5 | 0 | 0 | 112.9 | Q218 K223 K224 | Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 3.39Å; E220-K223 PolarHBondContact O-N 3.07Å; E220-K224 VanDerWaalsContact O-CG 3.25Å; E220-K224 WeakPolarHBondContact O-CG 3.38Å; E220-K224 PolarHBondContact O-N 3.06Å |
| 221 | E | 93.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 177 | -64.1 | -54.2 | 119.4 | 0 | 0 | 111.2 | Y213 Q218 T219 K224 W225 | Y213-E221 WeakPolarHBondContact OH-CB 3.26Å; Q218-E221 HydrophobicContact CB-CB 4.44Å; Q218-E221 HydrophobicContact CB-CG 4.33Å; Q218-E221 PolarHBondContact O-N 2.94Å; T219-E221 PolarHBondContact O-N 2.77Å; E221-K224 PolarHBondContact O-N 3.3Å; E221-K224 IonicContact OE1-NZ 2.76Å; E221-K224 PolarHBondContact OE1-NZ 2.84Å; E221-W225 VanDerWaalsContact O-CB 3.28Å; E221-W225 WeakPolarHBondContact O-CB 3.46Å; E221-W225 PolarHBondContact O-N 3.42Å |
| 222 | L | 95.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 172.3 | -77.9 | 173.8 | 0 | 0 | 0 | 112 | I176 I200 Y213 Q218 T219 W225 I226 | I176-L222 HydrophobicContact CD1-CB 4.07Å; I200-L222 HydrophobicContact CD1-CD1 3.98Å; I200-L222 HydrophobicContact CD1-CD2 3.73Å; I200-L222 HydrophobicContact CG2-CD2 4.49Å; Y213-L222 HydrophobicContact CD1-CD2 3.58Å; Y213-L222 HydrophobicContact CD2-CD2 4.16Å; Y213-L222 HydrophobicContact CE1-CD2 3.44Å; Y213-L222 VanDerWaalsContact CE1-CD2 3.44Å; Y213-L222 HydrophobicContact CE1-CG 4.06Å; Y213-L222 HydrophobicContact CE2-CD2 4.05Å; Y213-L222 HydrophobicContact CG-CD2 3.92Å; Q218-L222 PolarHBondContact O-N 3.32Å; T219-L222 PolarHBondContact O-N 2.85Å; L222-W225 HydrophobicContact CD2-CE3 4.48Å; L222-W225 PolarHBondContact O-N 2.98Å; L222-I226 VanDerWaalsContact O-CB 3.29Å; L222-I226 WeakPolarHBondContact O-CB 3.39Å; L222-I226 WeakPolarHBondContact O-CG1 3.42Å; L222-I226 PolarHBondContact O-N 2.76Å |
| 223 | K | 90.3 | Very high | 92.2 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 178.2 | -174.4 | 176.5 | 179.3 | 178.2 | 0 | 111.5 | I176 T219 E220 F227 | I176-K223 HydrophobicContact CD1-CB 4.03Å; I176-K223 HydrophobicContact CG1-CB 4.12Å; I176-K223 HydrophobicContact CG1-CG 4.41Å; T219-K223 VanDerWaalsContact O-CB 3.22Å; T219-K223 WeakPolarHBondContact O-CB 3.34Å; T219-K223 PolarHBondContact O-N 3.18Å; E220-K223 PolarHBondContact O-N 3.07Å; K223-F227 VanDerWaalsContact O-CB 3.28Å; K223-F227 WeakPolarHBondContact O-CB 3.48Å; K223-F227 PolarHBondContact O-N 3.23Å |
| 224 | K | 88.8 | Confident | 92.1 | Very high | 113 Ų | 113 | 55.1 Ų | 55.1 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 174.7 | -70.4 | 169.3 | -165.1 | 164.6 | 0 | 111.3 | E220 E221 F227 V228 | E220-K224 VanDerWaalsContact O-CG 3.25Å; E220-K224 WeakPolarHBondContact O-CG 3.38Å; E220-K224 PolarHBondContact O-N 3.06Å; E221-K224 PolarHBondContact O-N 3.3Å; E221-K224 IonicContact OE1-NZ 2.76Å; E221-K224 PolarHBondContact OE1-NZ 2.84Å; K224-F227 PolarHBondContact O-N 2.83Å; K224-V228 VanDerWaalsContact O-CG2 3.32Å; K224-V228 WeakPolarHBondContact O-CG2 3.18Å; K224-V228 PolarHBondContact O-N 2.97Å |
| 225 | W | 93.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | -179.2 | 178.4 | 85.1 | 0 | 0 | 0 | 112.1 | I200 L202 E211 Y213 E221 L222 V228 N229 | I200-W225 HydrophobicContact CG2-CZ3 4.24Å; L202-W225 HydrophobicContact CB-CH2 3.42Å; L202-W225 VanDerWaalsContact CB-CH2 3.42Å; L202-W225 HydrophobicContact CB-CZ2 4.27Å; L202-W225 HydrophobicContact CB-CZ3 3.78Å; L202-W225 HydrophobicContact CD1-CZ3 4.41Å; E211-W225 HydrophobicContact CB-CH2 4.48Å; E211-W225 HydrophobicContact CB-CZ2 3.83Å; E211-W225 WeakPolarHBondContact O-CH2 3.43Å; E211-W225 WeakPolarHBondContact O-CZ2 3.39Å; Y213-W225 HydrophobicContact CD2-CB 4.02Å; Y213-W225 AromaticContact CD2-CD1 3.69Å; Y213-W225 AromaticContact CD2-CD2 3.4Å; Y213-W225 HydrophobicContact CD2-CD2 3.4Å; Y213-W225 AromaticContact CD2-CE2 3.69Å; Y213-W225 AromaticContact CD2-CE3 3.84Å; Y213-W225 HydrophobicContact CD2-CE3 3.84Å; Y213-W225 AromaticContact CD2-CG 3.45Å; Y213-W225 HydrophobicContact CD2-CG 3.45Å; Y213-W225 VanDerWaalsContact CD2-CG 3.45Å; Y213-W225 HydrophobicContact CD2-CZ2 4.37Å; Y213-W225 HydrophobicContact CD2-CZ3 4.48Å; Y213-W225 AromaticContact CD2-NE1 3.81Å; Y213-W225 HydrophobicContact CE2-CB 3.79Å; Y213-W225 HydrophobicContact CE2-CD2 4.12Å; Y213-W225 AromaticContact CE2-CG 3.74Å; Y213-W225 HydrophobicContact CE2-CG 3.74Å; Y213-W225 HydrophobicContact CG-CD2 4.18Å; Y213-W225 HydrophobicContact CG-CE3 4.26Å; E221-W225 VanDerWaalsContact O-CB 3.28Å; E221-W225 WeakPolarHBondContact O-CB 3.46Å; E221-W225 PolarHBondContact O-N 3.42Å; L222-W225 HydrophobicContact CD2-CE3 4.48Å; L222-W225 PolarHBondContact O-N 2.98Å; W225-V228 PolarHBondContact O-N 2.93Å; W225-N229 PolarHBondContact NE1-ND2 2.79Å; W225-N229 VanDerWaalsContact NE1-ND2 3.15Å; W225-N229 WeakPolarHBondContact O-CB 3.49Å; W225-N229 PolarHBondContact O-N 3.26Å; W225-N229 PolarHBondContact O-ND2 2.82Å |
| 226 | I | 92.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 174.8 | -70.4 | 167.8 | 0 | 0 | 0 | 110 | V154 I176 T179 F181 L202 L222 V228 N229 S230 | V154-I226 HydrophobicContact CG1-CD1 4.43Å; V154-I226 HydrophobicContact CG2-CD1 3.86Å; V154-I226 HydrophobicContact CG2-CG1 3.85Å; V154-I226 HydrophobicContact CG2-CG2 4.44Å; I176-I226 HydrophobicContact CD1-CD1 3.83Å; I176-I226 HydrophobicContact CG2-CD1 4.32Å; T179-I226 HydrophobicContact CG2-CD1 4.45Å; T179-I226 HydrophobicContact CG2-CG2 3.92Å; F181-I226 HydrophobicContact CE1-CD1 3.77Å; F181-I226 HydrophobicContact CZ-CD1 3.71Å; L202-I226 HydrophobicContact CD1-CG1 4.47Å; L202-I226 HydrophobicContact CD1-CG2 4.4Å; L222-I226 VanDerWaalsContact O-CB 3.29Å; L222-I226 WeakPolarHBondContact O-CB 3.39Å; L222-I226 WeakPolarHBondContact O-CG1 3.42Å; L222-I226 PolarHBondContact O-N 2.76Å; I226-V228 VanDerWaalsContact C-N 3.35Å; I226-V228 PolarHBondContact O-N 3.3Å; I226-N229 PolarHBondContact O-N 3.41Å; I226-S230 WeakPolarHBondContact O-CA 3.3Å; I226-S230 WeakPolarHBondContact O-CB 3.31Å; I226-S230 PolarHBondContact O-N 3.15Å; I226-S230 PolarHBondContact O-OG 2.83Å |
| 227 | F | 86.5 | Confident | 92.1 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 26% | 0.263 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.5 | -50.6 | 179 | 178.1 | -98.5 | 0 | 0 | 0 | 111.3 | K223 K224 N229 S230 M231 | K223-F227 VanDerWaalsContact O-CB 3.28Å; K223-F227 WeakPolarHBondContact O-CB 3.48Å; K223-F227 PolarHBondContact O-N 3.23Å; K224-F227 PolarHBondContact O-N 2.83Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 2.87Å; F227-S230 PolarHBondContact O-OG 3.48Å; F227-M231 HydrophobicContact CD1-CE 4.04Å; F227-M231 HydrophobicContact CE1-CE 3.5Å; F227-M231 VanDerWaalsContact CE1-CE 3.5Å; F227-M231 HydrophobicContact CE2-CE 4.26Å; F227-M231 HydrophobicContact CE2-SD 4.44Å; F227-M231 HydrophobicContact CZ-CE 3.61Å; F227-M231 HydrophobicContact CZ-SD 4.14Å |
| 228 | V | 87.2 | Confident | 92 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -35.4 | -179.9 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | K224 W225 I226 K280 | K224-V228 VanDerWaalsContact O-CG2 3.32Å; K224-V228 WeakPolarHBondContact O-CG2 3.18Å; K224-V228 PolarHBondContact O-N 2.97Å; W225-V228 PolarHBondContact O-N 2.93Å; I226-V228 VanDerWaalsContact C-N 3.35Å; I226-V228 PolarHBondContact O-N 3.3Å; V228-K280 HydrophobicContact CG1-CD 4.33Å; V228-K280 HydrophobicContact CG1-CG 3.88Å |
| 229 | N | 91.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.9 | -12.6 | -175.1 | -71.8 | -67 | 0 | 0 | 0 | 114.7 | L202 K204 E211 W225 I226 F227 M231 K280 | L202-N229 HydrophobicContact CD1-CB 3.87Å; L202-N229 HydrophobicContact CD2-CB 4.27Å; K204-N229 WeakPolarHBondContact CD-O 3.47Å; K204-N229 PolarHBondContact NZ-O 3.01Å; E211-N229 HydrophobicContact CB-CB 4.35Å; E211-N229 VanDerWaalsContact CD-OD1 3.29Å; E211-N229 HydrophobicContact CG-CB 4.1Å; E211-N229 WeakPolarHBondContact CG-OD1 3.48Å; E211-N229 PolarHBondContact OE1-OD1 2.66Å; W225-N229 PolarHBondContact NE1-ND2 2.79Å; W225-N229 VanDerWaalsContact NE1-ND2 3.15Å; W225-N229 WeakPolarHBondContact O-CB 3.49Å; W225-N229 PolarHBondContact O-N 3.26Å; W225-N229 PolarHBondContact O-ND2 2.82Å; I226-N229 PolarHBondContact O-N 3.41Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 2.87Å; N229-M231 VanDerWaalsContact C-N 3.32Å; N229-K280 WeakPolarHBondContact OD1-CE 3.36Å; N229-K280 PolarHBondContact OD1-NZ 3.41Å |
| 230 | S | 89.7 | Confident | 90.9 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -83.7 | -6 | 176.4 | 67.6 | 0 | 0 | 0 | 0 | 114 | F206 I226 F227 | F206-S230 WeakPolarHBondContact CZ-O 3.2Å; I226-S230 WeakPolarHBondContact O-CA 3.3Å; I226-S230 WeakPolarHBondContact O-CB 3.31Å; I226-S230 PolarHBondContact O-N 3.15Å; I226-S230 PolarHBondContact O-OG 2.83Å; F227-S230 PolarHBondContact O-OG 3.48Å |
| 231 | M | 88.2 | Confident | 90.7 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -104.8 | 141.2 | 174.4 | -65.9 | -172.3 | -66.7 | 0 | 0 | 110.2 | F206 F227 N229 L284 | F206-M231 VanDerWaalsContact CE2-C 3.44Å; F227-M231 HydrophobicContact CD1-CE 4.04Å; F227-M231 HydrophobicContact CE1-CE 3.5Å; F227-M231 VanDerWaalsContact CE1-CE 3.5Å; F227-M231 HydrophobicContact CE2-CE 4.26Å; F227-M231 HydrophobicContact CE2-SD 4.44Å; F227-M231 HydrophobicContact CZ-CE 3.61Å; F227-M231 HydrophobicContact CZ-SD 4.14Å; N229-M231 VanDerWaalsContact C-N 3.32Å; M231-L284 HydrophobicContact CE-CD1 4.06Å; M231-L284 HydrophobicContact SD-CD1 4.16Å |
| 232 | P | 92.8 | Very high | 90.3 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | trans | -54 | 151.9 | 166.4 | -27.3 | 34.6 | 0 | 0 | 0 | 112.2 | F206 D207 V234 N235 | F206-P232 HydrophobicContact CD1-CG 4.03Å; F206-P232 HydrophobicContact CD2-CB 4.02Å; F206-P232 HydrophobicContact CD2-CG 3.86Å; F206-P232 HydrophobicContact CE1-CG 4.07Å; F206-P232 HydrophobicContact CE2-CB 4.23Å; F206-P232 HydrophobicContact CE2-CG 3.87Å; F206-P232 VanDerWaalsContact CE2-N 3.28Å; F206-P232 HydrophobicContact CG-CB 4.4Å; F206-P232 HydrophobicContact CG-CG 3.94Å; F206-P232 HydrophobicContact CZ-CG 4Å; D207-P232 WeakPolarHBondContact OD2-CA 3.42Å; P232-V234 VanDerWaalsContact CB-O 3.31Å; P232-V234 WeakPolarHBondContact CB-O 3.38Å; P232-V234 PolarHBondContact O-N 3.26Å; P232-N235 WeakPolarHBondContact CD-OD1 3.39Å; P232-N235 PolarHBondContact O-ND2 2.98Å | ||
| 233 | I | 95.1 | Very high | 89.6 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -58.8 | -39.9 | 172 | -71.3 | 161.1 | 0 | 0 | 0 | 110.7 | D207 T273 A276 K277 | D207-I233 HydrophobicContact CB-CD1 3.95Å; D207-I233 HydrophobicContact CB-CG1 4.48Å; D207-I233 WeakPolarHBondContact OD2-CG1 3.37Å; D207-I233 PolarHBondContact OD2-N 2.72Å; I233-T273 HydrophobicContact CB-CG2 4.36Å; I233-T273 HydrophobicContact CD1-CG2 4.49Å; I233-T273 HydrophobicContact CG2-CG2 3.84Å; I233-A276 HydrophobicContact CG2-CB 3.44Å; I233-A276 VanDerWaalsContact CG2-CB 3.44Å; I233-K277 HydrophobicContact CD1-CD 4.21Å; I233-K277 VanDerWaalsContact CD1-CE 3.42Å; I233-K277 HydrophobicContact CD1-CG 3.78Å; I233-K277 HydrophobicContact CG1-CG 4.45Å; I233-K277 HydrophobicContact CG2-CG 4.15Å |
| 234 | V | 96.5 | Very high | 89.1 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.1 | 171.5 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | P232 Y272 T273 A276 F285 | P232-V234 VanDerWaalsContact CB-O 3.31Å; P232-V234 WeakPolarHBondContact CB-O 3.38Å; P232-V234 PolarHBondContact O-N 3.26Å; V234-Y272 HydrophobicContact CB-CD1 4.39Å; V234-Y272 HydrophobicContact CG1-CD1 3.77Å; V234-Y272 HydrophobicContact CG1-CE1 3.91Å; V234-Y272 HydrophobicContact CG2-CD1 3.66Å; V234-Y272 HydrophobicContact CG2-CE1 4.26Å; V234-T273 WeakPolarHBondContact CG2-OG1 3.34Å; V234-A276 HydrophobicContact CG2-CB 4.41Å; V234-F285 WeakPolarHBondContact CA-O 3.48Å |
| 235 | N | 94.2 | Very high | 89 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.1 | -177.8 | -65.6 | -93.8 | 0 | 0 | 0 | 108.9 | P232 F237 I245 L284 F285 V286 S287 | P232-N235 WeakPolarHBondContact CD-OD1 3.39Å; P232-N235 PolarHBondContact O-ND2 2.98Å; N235-F237 PolarHBondContact O-N 3.15Å; N235-I245 HydrophobicContact CB-CD1 4.18Å; N235-I245 HydrophobicContact CB-CG1 4.18Å; N235-L284 VanDerWaalsContact ND2-CD1 3.33Å; N235-L284 WeakPolarHBondContact ND2-CD1 3.28Å; N235-F285 PolarHBondContact N-O 2.76Å; N235-V286 CarbonylContact O-C 3.54Å; N235-V286 WeakPolarHBondContact O-CA 3.29Å; N235-V286 WeakPolarHBondContact O-CG1 3.39Å; N235-S287 PolarHBondContact O-N 3.41Å |
| 236 | E | 94.8 | Very high | 88.5 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 132.7 | 171.8 | -176.2 | -179.2 | 152.7 | 0 | 0 | 110 | T241 K260 S287 | E236-T241 WeakPolarHBondContact O-CB 3.44Å; E236-T241 WeakPolarHBondContact O-CG2 3.26Å; E236-T241 PolarHBondContact O-OG1 3.24Å; E236-K260 IonicContact OE1-NZ 2.73Å; E236-K260 PolarHBondContact OE1-NZ 3.34Å; E236-K260 IonicContact OE2-NZ 2.79Å; E236-K260 PolarHBondContact OE2-NZ 2.97Å; E236-S287 WeakPolarHBondContact CA-OG 3.42Å |
| 237 | F | 94.6 | Very high | 87.7 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 11% | 0.114 | 29% | 0.29 | C | S | . | . | trans | -82.7 | 118.3 | 173.5 | -173.9 | -96.4 | 0 | 0 | 0 | 111.1 | N235 A242 I245 F246 V286 S287 V288 N295 V298 | N235-F237 PolarHBondContact O-N 3.15Å; F237-A242 HydrophobicContact CD2-CB 4.4Å; F237-A242 HydrophobicContact CE2-CB 3.61Å; F237-A242 HydrophobicContact CZ-CB 3.95Å; F237-I245 HydrophobicContact CB-CD1 4.39Å; F237-I245 HydrophobicContact CD2-CD1 3.9Å; F237-F246 HydrophobicContact CD2-CE2 4.44Å; F237-F246 HydrophobicContact CE2-CD2 4.42Å; F237-F246 AromaticContact CE2-CE2 3.45Å; F237-F246 HydrophobicContact CE2-CE2 3.45Å; F237-F246 VanDerWaalsContact CE2-CE2 3.45Å; F237-F246 AromaticContact CE2-CZ 3.85Å; F237-F246 HydrophobicContact CE2-CZ 3.85Å; F237-F246 HydrophobicContact CZ-CE2 4.09Å; F237-V286 HydrophobicContact CB-CG1 3.71Å; F237-S287 WeakPolarHBondContact CB-O 3.49Å; F237-S287 PolarHBondContact N-O 2.75Å; F237-V288 HydrophobicContact CB-CG2 3.99Å; F237-N295 WeakPolarHBondContact CD1-OD1 3.29Å; F237-N295 PolarHBondContact O-ND2 2.94Å; F237-V298 HydrophobicContact CD1-CG2 4.01Å; F237-V298 HydrophobicContact CE1-CG2 3.47Å; F237-V298 VanDerWaalsContact CE1-CG2 3.47Å; F237-V298 HydrophobicContact CZ-CG2 4.09Å | ||
| 238 | N | 91.3 | Very high | 87 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -157.8 | 179.1 | 171.7 | 59 | 57.1 | 0 | 0 | 0 | 109.5 | S240 T241 A242 | N238-S240 PolarHBondContact O-N 3.14Å; N238-S240 VanDerWaalsContact O-N 3.14Å; N238-S240 WeakPolarHBondContact OD1-CA 3.42Å; N238-S240 WeakPolarHBondContact OD1-CB 3.32Å; N238-S240 PolarHBondContact OD1-N 3.21Å; N238-S240 PolarHBondContact OD1-OG 3.46Å; N238-T241 PolarHBondContact N-OG1 3.36Å; N238-T241 PolarHBondContact O-N 2.88Å; N238-T241 VanDerWaalsContact O-N 3.17Å; N238-T241 PolarHBondContact O-OG1 3.17Å; N238-T241 PolarHBondContact OD1-N 3.06Å; N238-T241 VanDerWaalsContact OD1-N 3.13Å; N238-T241 PolarHBondContact OD1-OG1 2.73Å; N238-A242 VanDerWaalsContact O-CB 3.32Å; N238-A242 WeakPolarHBondContact O-CB 3.28Å; N238-A242 PolarHBondContact O-N 3.44Å |
| 239 | Q | 81.3 | Confident | 86.6 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -54.7 | -34.7 | -179.1 | -62.4 | -170.1 | 8 | 0 | 0 | 113.7 | D294 | Q239-D294 PolarHBondContact NE2-OD2 3.29Å |
| 240 | S | 78.9 | Confident | 86.3 | Confident | 92 Ų | 92 | 58 Ų | 58 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -80 | -26.3 | -177.2 | 77.1 | 0 | 0 | 0 | 0 | 113.9 | N238 | N238-S240 PolarHBondContact O-N 3.14Å; N238-S240 VanDerWaalsContact O-N 3.14Å; N238-S240 WeakPolarHBondContact OD1-CA 3.42Å; N238-S240 WeakPolarHBondContact OD1-CB 3.32Å; N238-S240 PolarHBondContact OD1-N 3.21Å; N238-S240 PolarHBondContact OD1-OG 3.46Å |
| 241 | T | 88.1 | Confident | 86.3 | Confident | 29 Ų | 29 | 61 Ų | 61 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -102.4 | -21.6 | -176.5 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | E236 N238 H243 K244 I245 | E236-T241 WeakPolarHBondContact O-CB 3.44Å; E236-T241 WeakPolarHBondContact O-CG2 3.26Å; E236-T241 PolarHBondContact O-OG1 3.24Å; N238-T241 PolarHBondContact N-OG1 3.36Å; N238-T241 PolarHBondContact O-N 2.88Å; N238-T241 VanDerWaalsContact O-N 3.17Å; N238-T241 PolarHBondContact O-OG1 3.17Å; N238-T241 PolarHBondContact OD1-N 3.06Å; N238-T241 VanDerWaalsContact OD1-N 3.13Å; N238-T241 PolarHBondContact OD1-OG1 2.73Å; T241-H243 VanDerWaalsContact C-N 3.32Å; T241-H243 PolarHBondContact O-N 2.81Å; T241-K244 WeakPolarHBondContact O-CA 3.5Å; T241-K244 WeakPolarHBondContact O-CB 3.43Å; T241-K244 PolarHBondContact O-N 3.38Å; T241-I245 WeakPolarHBondContact O-CG1 3.42Å; T241-I245 PolarHBondContact O-N 3.03Å |
| 242 | A | 85.9 | Confident | 86.6 | Confident | 20 Ų | 20 | 61 Ų | 61 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.9 | -46.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F237 N238 K244 I245 F246 | F237-A242 HydrophobicContact CD2-CB 4.4Å; F237-A242 HydrophobicContact CE2-CB 3.61Å; F237-A242 HydrophobicContact CZ-CB 3.95Å; N238-A242 VanDerWaalsContact O-CB 3.32Å; N238-A242 WeakPolarHBondContact O-CB 3.28Å; N238-A242 PolarHBondContact O-N 3.44Å; A242-K244 VanDerWaalsContact C-N 3.33Å; A242-K244 PolarHBondContact O-N 2.67Å; A242-I245 PolarHBondContact O-N 2.74Å; A242-F246 HydrophobicContact CB-CD2 4.48Å; A242-F246 WeakPolarHBondContact O-CD2 3.21Å; A242-F246 PolarHBondContact O-N 3.29Å |
| 243 | H | 80.2 | Confident | 86.8 | Confident | 149 Ų | 149 | 59.2 Ų | 59.2 | 69% | 0.69 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.3 | -42.8 | 176.7 | -178.8 | -90.2 | 0 | 0 | 0 | 111.7 | T241 F246 A247 | T241-H243 VanDerWaalsContact C-N 3.32Å; T241-H243 PolarHBondContact O-N 2.81Å; H243-F246 PolarHBondContact O-N 3.24Å; H243-A247 WeakPolarHBondContact O-CA 3.33Å; H243-A247 WeakPolarHBondContact O-CB 3.4Å; H243-A247 PolarHBondContact O-N 2.64Å |
| 244 | K | 79.5 | Confident | 87 | Confident | 141 Ų | 141 | 58 Ų | 58 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 178.9 | -64.4 | -178.6 | -180 | 178.6 | 0 | 111.9 | T241 A242 | T241-K244 WeakPolarHBondContact O-CA 3.5Å; T241-K244 WeakPolarHBondContact O-CB 3.43Å; T241-K244 PolarHBondContact O-N 3.38Å; A242-K244 VanDerWaalsContact C-N 3.33Å; A242-K244 PolarHBondContact O-N 2.67Å |
| 245 | I | 86.8 | Confident | 87 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 177.7 | -71.3 | 166.4 | 0 | 0 | 0 | 110.1 | N235 F237 T241 A242 H253 L284 V286 | N235-I245 HydrophobicContact CB-CD1 4.18Å; N235-I245 HydrophobicContact CB-CG1 4.18Å; F237-I245 HydrophobicContact CB-CD1 4.39Å; F237-I245 HydrophobicContact CD2-CD1 3.9Å; T241-I245 WeakPolarHBondContact O-CG1 3.42Å; T241-I245 PolarHBondContact O-N 3.03Å; A242-I245 PolarHBondContact O-N 2.74Å; I245-H253 VanDerWaalsContact CG2-CE1 3.48Å; I245-H253 WeakPolarHBondContact CG2-CE1 3.48Å; I245-H253 PolarHBondContact O-CE1 3.14Å; I245-H253 PolarHBondContact O-NE2 3.19Å; I245-L284 HydrophobicContact CB-CD2 4.16Å; I245-L284 HydrophobicContact CG1-CD2 4.06Å; I245-L284 HydrophobicContact CG2-CD2 3.97Å; I245-V286 HydrophobicContact CD1-CG1 3.99Å; I245-V286 HydrophobicContact CD1-CG2 4.2Å; I245-V286 HydrophobicContact CG1-CG2 4.36Å; I245-V286 HydrophobicContact CG2-CG2 4.02Å |
| 246 | F | 82 | Confident | 87.2 | Confident | 98 Ų | 98 | 57 Ų | 57 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -89.4 | -25.9 | -172.8 | -62.8 | -56.3 | 0 | 0 | 0 | 115.3 | F237 A242 H243 G248 H253 I317 | F237-F246 HydrophobicContact CD2-CE2 4.44Å; F237-F246 HydrophobicContact CE2-CD2 4.42Å; F237-F246 AromaticContact CE2-CE2 3.45Å; F237-F246 HydrophobicContact CE2-CE2 3.45Å; F237-F246 VanDerWaalsContact CE2-CE2 3.45Å; F237-F246 AromaticContact CE2-CZ 3.85Å; F237-F246 HydrophobicContact CE2-CZ 3.85Å; F237-F246 HydrophobicContact CZ-CE2 4.09Å; A242-F246 HydrophobicContact CB-CD2 4.48Å; A242-F246 WeakPolarHBondContact O-CD2 3.21Å; A242-F246 PolarHBondContact O-N 3.29Å; H243-F246 PolarHBondContact O-N 3.24Å; F246-G248 PolarHBondContact O-N 2.53Å; F246-H253 AromaticContact CD1-CE1 3.85Å; F246-I317 HydrophobicContact CD1-CD1 3.67Å; F246-I317 HydrophobicContact CE1-CD1 3.88Å |
| 247 | A | 75.9 | Confident | 87.4 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.8 | -8.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H243 | H243-A247 WeakPolarHBondContact O-CA 3.33Å; H243-A247 WeakPolarHBondContact O-CB 3.4Å; H243-A247 PolarHBondContact O-N 2.64Å |
| 248 | G | 73 | Confident | 87.5 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -66 | 160.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F246 I250 K251 | F246-G248 PolarHBondContact O-N 2.53Å; G248-I250 VanDerWaalsContact C-N 3.31Å; G248-K251 PolarHBondContact O-NZ 3.13Å |
| 249 | H | 77 | Confident | 87.7 | Confident | 155 Ų | 155 | 51.8 Ų | 51.8 | 72% | 0.718 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -74.3 | -22.9 | 171.8 | -62.3 | -70.6 | 0 | 0 | 0 | 112.8 | K251 | H249-K251 PolarHBondContact O-N 2.92Å; H249-K251 VanDerWaalsContact O-N 3.17Å |
| 250 | I | 87.3 | Confident | 88.2 | Confident | 26 Ų | 26 | 49 Ų | 49 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | trans | -76.4 | 106.4 | 176.8 | -58.4 | 176.4 | 0 | 0 | 0 | 107.5 | G248 T252 H253 L284 | G248-I250 VanDerWaalsContact C-N 3.31Å; I250-T252 WeakPolarHBondContact CG2-O 2.99Å; I250-H253 PolarHBondContact O-NE2 3.01Å; I250-L284 HydrophobicContact CG2-CB 4.19Å | ||
| 251 | K | 89.6 | Confident | 88.8 | Confident | 97 Ų | 97 | 48.2 Ų | 48.2 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | trans | -87.6 | -6.2 | -178.1 | -65.7 | -44.8 | -175.3 | -167.7 | 0 | 114.2 | G248 H249 I317 | G248-K251 PolarHBondContact O-NZ 3.13Å; H249-K251 PolarHBondContact O-N 2.92Å; H249-K251 VanDerWaalsContact O-N 3.17Å; K251-I317 HydrophobicContact CB-CB 4.5Å; K251-I317 VanDerWaalsContact CB-O 3.25Å; K251-I317 WeakPolarHBondContact CB-O 3.15Å; K251-I317 WeakPolarHBondContact CD-O 3.48Å; K251-I317 WeakPolarHBondContact CG-O 3.21Å; K251-I317 WeakPolarHBondContact O-CB 3.44Å; K251-I317 PolarHBondContact O-N 3.17Å | ||
| 252 | T | 94.6 | Very high | 89.2 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.6 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | I250 M283 L284 I314 I315 F343 | I250-T252 WeakPolarHBondContact CG2-O 2.99Å; T252-M283 HydrophobicContact CG2-CB 4.38Å; T252-M283 HydrophobicContact CG2-CG 3.8Å; T252-M283 HydrophobicContact CG2-SD 3.62Å; T252-M283 WeakPolarHBondContact O-CA 3.48Å; T252-M283 WeakPolarHBondContact O-CG 3.46Å; T252-L284 PolarHBondContact O-N 2.81Å; T252-I314 HydrophobicContact CG2-CG2 3.93Å; T252-I315 WeakPolarHBondContact CA-O 3.29Å; T252-F343 HydrophobicContact CG2-CD1 3.67Å; T252-F343 HydrophobicContact CG2-CE1 3.12Å; T252-F343 HydrophobicContact CG2-CZ 3.67Å |
| 253 | H | 96.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.8 | 175.3 | -52.1 | 161.1 | 0 | 0 | 0 | 110.8 | I245 F246 I250 L255 L284 V286 I314 I315 I317 | I245-H253 VanDerWaalsContact CG2-CE1 3.48Å; I245-H253 WeakPolarHBondContact CG2-CE1 3.48Å; I245-H253 PolarHBondContact O-CE1 3.14Å; I245-H253 PolarHBondContact O-NE2 3.19Å; F246-H253 AromaticContact CD1-CE1 3.85Å; I250-H253 PolarHBondContact O-NE2 3.01Å; H253-L255 HydrophobicContact CB-CD1 3.89Å; H253-L284 CarbonylContact C-O 3.5Å; H253-L284 VanDerWaalsContact CA-O 3.26Å; H253-L284 WeakPolarHBondContact CA-O 3.46Å; H253-L284 VanDerWaalsContact CD2-CB 3.43Å; H253-L284 WeakPolarHBondContact CD2-CB 3.47Å; H253-V286 HydrophobicContact CB-CG2 4.39Å; H253-I314 CarbonylContact O-C 3.56Å; H253-I314 WeakPolarHBondContact O-CA 3.33Å; H253-I315 HydrophobicContact CB-CG2 3.77Å; H253-I315 PolarHBondContact N-O 3.29Å; H253-I315 PolarHBondContact O-N 2.9Å; H253-I317 WeakPolarHBondContact CE1-CD1 3.46Å; H253-I317 WeakPolarHBondContact ND1-CD1 3.27Å |
| 254 | M | 98.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.2 | 160.2 | -172.2 | 174.2 | -78.4 | 0 | 0 | 107.8 | Y272 M283 L284 F285 V286 R313 I314 L336 F339 A340 | M254-Y272 HydrophobicContact CG-CE2 3.91Å; M254-Y272 WeakPolarHBondContact CG-OH 3.29Å; M254-Y272 PolarHBondContact O-OH 2.85Å; M254-Y272 HydrophobicContact SD-CE2 3.69Å; M254-M283 HydrophobicContact CB-CE 3.91Å; M254-M283 HydrophobicContact CB-CG 4.42Å; M254-M283 HydrophobicContact CB-SD 3.95Å; M254-M283 HydrophobicContact CE-CE 3.62Å; M254-M283 HydrophobicContact CE-SD 4.45Å; M254-M283 HydrophobicContact SD-CE 4.33Å; M254-L284 PolarHBondContact N-O 3.34Å; M254-F285 HydrophobicContact CB-CD1 4.32Å; M254-F285 HydrophobicContact CB-CE1 4.35Å; M254-F285 HydrophobicContact CB-CG 4.49Å; M254-F285 HydrophobicContact CG-CE1 4.45Å; M254-F285 HydrophobicContact SD-CD1 4.09Å; M254-F285 HydrophobicContact SD-CE1 3.5Å; M254-F285 WeakPolarHBondContact SD-CE1 3.43Å; M254-F285 HydrophobicContact SD-CZ 4.02Å; M254-V286 PolarHBondContact O-N 2.82Å; M254-R313 CarbonylContact C-O 3.42Å; M254-R313 WeakPolarHBondContact CA-O 3.49Å; M254-I314 HydrophobicContact CB-CG1 4.18Å; M254-I314 HydrophobicContact CE-CD1 3.62Å; M254-I314 HydrophobicContact CE-CG1 3.72Å; M254-I314 HydrophobicContact CG-CG1 4.15Å; M254-L336 HydrophobicContact SD-CD2 3.95Å; M254-F339 HydrophobicContact CE-CD1 3.59Å; M254-F339 HydrophobicContact CE-CE1 4.21Å; M254-F339 HydrophobicContact CE-CG 4.33Å; M254-A340 HydrophobicContact CE-CB 3.83Å |
| 255 | L | 98.2 | Very high | 91 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.8 | 177.4 | -69.3 | 82.7 | 0 | 0 | 0 | 108.8 | H253 F257 V286 V288 V298 F302 C312 R313 I315 | H253-L255 HydrophobicContact CB-CD1 3.89Å; L255-F257 HydrophobicContact CB-CD2 4.32Å; L255-F257 HydrophobicContact CB-CE2 3.61Å; L255-F257 HydrophobicContact CB-CZ 4.12Å; L255-F257 HydrophobicContact CD2-CE2 4.29Å; L255-F257 HydrophobicContact CD2-CZ 3.94Å; L255-V286 CarbonylContact C-O 3.58Å; L255-V286 WeakPolarHBondContact CA-O 3.43Å; L255-V286 HydrophobicContact CG-CB 4.26Å; L255-V286 HydrophobicContact CG-CG1 4.48Å; L255-V288 HydrophobicContact CB-CG2 4.47Å; L255-V288 HydrophobicContact CD2-CG2 3.93Å; L255-V298 HydrophobicContact CD2-CG1 4.24Å; L255-F302 HydrophobicContact CD1-CZ 4.02Å; L255-F302 HydrophobicContact CD2-CE2 3.65Å; L255-F302 HydrophobicContact CD2-CZ 3.91Å; L255-C312 CarbonylContact O-C 3.6Å; L255-C312 VanDerWaalsContact O-CA 3.24Å; L255-C312 WeakPolarHBondContact O-CA 3.05Å; L255-R313 PolarHBondContact N-O 2.98Å; L255-R313 PolarHBondContact O-N 2.85Å; L255-I315 HydrophobicContact CD1-CB 4.38Å; L255-I315 HydrophobicContact CD1-CG2 3.49Å; L255-I315 VanDerWaalsContact CD1-CG2 3.49Å |
| 256 | L | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.3 | 169.4 | 170.9 | 63.1 | 0 | 0 | 0 | 108.4 | I258 I269 Y272 V286 S287 V288 C312 I331 | L256-I258 HydrophobicContact CD1-CG2 4.03Å; L256-I258 HydrophobicContact CD2-CG2 4.2Å; L256-I258 HydrophobicContact CG-CG2 3.86Å; L256-I269 HydrophobicContact CD2-CD1 4.17Å; L256-Y272 HydrophobicContact CB-CD1 4.1Å; L256-Y272 HydrophobicContact CB-CD2 4.04Å; L256-Y272 HydrophobicContact CB-CE1 3.74Å; L256-Y272 HydrophobicContact CB-CE2 3.71Å; L256-Y272 HydrophobicContact CB-CG 4.24Å; L256-Y272 HydrophobicContact CD2-CD1 3.83Å; L256-Y272 HydrophobicContact CD2-CD2 3.91Å; L256-Y272 HydrophobicContact CD2-CE1 4.34Å; L256-Y272 HydrophobicContact CD2-CE2 4.45Å; L256-Y272 HydrophobicContact CD2-CG 3.58Å; L256-Y272 PolarHBondContact N-OH 3.13Å; L256-V286 PolarHBondContact N-O 2.76Å; L256-S287 CarbonylContact O-C 3.6Å; L256-S287 WeakPolarHBondContact O-CA 3.4Å; L256-V288 PolarHBondContact O-N 3.37Å; L256-C312 VanDerWaalsContact CD1-SG 3.56Å; L256-I331 HydrophobicContact CD1-CD1 3.92Å; L256-I331 HydrophobicContact CD1-CG2 4.45Å |
| 257 | F | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.1 | 173.9 | -62.4 | -98.5 | 0 | 0 | 0 | 108.4 | L255 V288 I290 V298 L299 F302 M304 V309 P310 A311 R313 | L255-F257 HydrophobicContact CB-CD2 4.32Å; L255-F257 HydrophobicContact CB-CE2 3.61Å; L255-F257 HydrophobicContact CB-CZ 4.12Å; L255-F257 HydrophobicContact CD2-CE2 4.29Å; L255-F257 HydrophobicContact CD2-CZ 3.94Å; F257-V288 WeakPolarHBondContact CA-O 3.35Å; F257-V288 HydrophobicContact CD1-CB 3.79Å; F257-V288 HydrophobicContact CD1-CG1 3.9Å; F257-V288 HydrophobicContact CD1-CG2 4.32Å; F257-V288 HydrophobicContact CE1-CB 3.99Å; F257-V288 HydrophobicContact CE1-CG1 3.93Å; F257-V288 HydrophobicContact CE1-CG2 4.07Å; F257-V288 HydrophobicContact CG-CB 4.35Å; F257-V288 HydrophobicContact CZ-CG2 4.34Å; F257-I290 HydrophobicContact CB-CG2 4.39Å; F257-I290 HydrophobicContact CD1-CG2 4.26Å; F257-V298 HydrophobicContact CE1-CB 4.47Å; F257-V298 HydrophobicContact CE1-CG1 3.9Å; F257-V298 HydrophobicContact CZ-CG1 4.09Å; F257-L299 HydrophobicContact CD1-CD1 3.65Å; F257-L299 HydrophobicContact CE1-CD1 4.13Å; F257-L299 HydrophobicContact CG-CD1 4.21Å; F257-F302 HydrophobicContact CE1-CD2 4.39Å; F257-F302 HydrophobicContact CE2-CD2 4.24Å; F257-F302 AromaticContact CZ-CD2 3.5Å; F257-F302 HydrophobicContact CZ-CD2 3.5Å; F257-F302 VanDerWaalsContact CZ-CD2 3.5Å; F257-F302 AromaticContact CZ-CE2 3.87Å; F257-F302 HydrophobicContact CZ-CE2 3.87Å; F257-F302 HydrophobicContact CZ-CG 4.12Å; F257-M304 HydrophobicContact CD1-CE 3.91Å; F257-M304 HydrophobicContact CD2-CE 3.33Å; F257-M304 HydrophobicContact CE1-CE 3.82Å; F257-M304 HydrophobicContact CE2-CE 3.25Å; F257-M304 HydrophobicContact CG-CE 3.69Å; F257-M304 HydrophobicContact CZ-CE 3.5Å; F257-V309 HydrophobicContact CB-CG1 4.5Å; F257-V309 HydrophobicContact CB-CG2 3.98Å; F257-P310 VanDerWaalsContact O-CA 3.27Å; F257-P310 WeakPolarHBondContact O-CA 3.27Å; F257-A311 PolarHBondContact N-O 2.89Å; F257-A311 PolarHBondContact O-N 3.36Å; F257-A311 VanDerWaalsContact O-N 3.11Å; F257-R313 HydrophobicContact CE2-CB 4.38Å; F257-R313 HydrophobicContact CE2-CG 4.31Å |
| 258 | I | 97.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 159.2 | -178.4 | 47.7 | 161.1 | 0 | 0 | 0 | 109.8 | L256 T265 L268 I269 V288 D289 I290 P310 | L256-I258 HydrophobicContact CD1-CG2 4.03Å; L256-I258 HydrophobicContact CD2-CG2 4.2Å; L256-I258 HydrophobicContact CG-CG2 3.86Å; I258-T265 HydrophobicContact CD1-CG2 3.63Å; I258-L268 HydrophobicContact CG2-CD1 4.09Å; I258-I269 HydrophobicContact CD1-CD1 3.86Å; I258-I269 HydrophobicContact CD1-CG1 4.14Å; I258-V288 PolarHBondContact N-O 2.97Å; I258-D289 WeakPolarHBondContact O-CA 3.32Å; I258-I290 WeakPolarHBondContact O-CG1 3.31Å; I258-I290 PolarHBondContact O-N 3.02Å; I258-P310 HydrophobicContact CG2-CB 4.25Å |
| 259 | S | 95.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | trans | -96.8 | 123.2 | 158.8 | 142.2 | 0 | 0 | 0 | 0 | 107.1 | A261 A262 T265 E291 | S259-A261 PolarHBondContact O-N 3.38Å; S259-A262 VanDerWaalsContact O-CB 3.3Å; S259-A262 WeakPolarHBondContact O-CB 3.4Å; S259-A262 PolarHBondContact O-N 3.34Å; S259-A262 PolarHBondContact OG-N 2.9Å; S259-T265 PolarHBondContact O-OG1 3.47Å; S259-E291 PolarHBondContact OG-OE1 2.91Å | ||
| 260 | K | 92.1 | Very high | 95.3 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30.1 | -179.2 | -85.5 | -174.2 | 178.5 | 177.6 | 0 | 113.1 | E236 A262 D289 E291 | E236-K260 IonicContact OE1-NZ 2.73Å; E236-K260 PolarHBondContact OE1-NZ 3.34Å; E236-K260 IonicContact OE2-NZ 2.79Å; E236-K260 PolarHBondContact OE2-NZ 2.97Å; K260-A262 VanDerWaalsContact C-N 3.27Å; K260-A262 PolarHBondContact O-N 3.47Å; K260-D289 HydrophobicContact CD-CB 4.09Å; K260-D289 WeakPolarHBondContact CD-OD2 3.16Å; K260-D289 HydrophobicContact CG-CB 3.96Å; K260-D289 PolarHBondContact N-OD1 2.95Å; K260-D289 VanDerWaalsContact N-OD1 3.1Å; K260-E291 PolarHBondContact N-OE2 2.91Å |
| 261 | A | 91.6 | Very high | 95.8 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S259 E291 | S259-A261 PolarHBondContact O-N 3.38Å; A261-E291 VanDerWaalsContact CB-OE1 3.28Å; A261-E291 WeakPolarHBondContact CB-OE1 3.38Å; A261-E291 WeakPolarHBondContact CB-OE2 3.36Å; A261-E291 PolarHBondContact N-OE2 3.47Å |
| 262 | A | 95 | Very high | 96.2 | Very high | 23 Ų | 23 | 41 Ų | 41 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -67.8 | 134.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S259 K260 E264 T265 | S259-A262 VanDerWaalsContact O-CB 3.3Å; S259-A262 WeakPolarHBondContact O-CB 3.4Å; S259-A262 PolarHBondContact O-N 3.34Å; S259-A262 PolarHBondContact OG-N 2.9Å; K260-A262 VanDerWaalsContact C-N 3.27Å; K260-A262 PolarHBondContact O-N 3.47Å; A262-E264 PolarHBondContact O-N 3Å; A262-E264 VanDerWaalsContact O-N 3.15Å; A262-T265 VanDerWaalsContact O-CB 3.3Å; A262-T265 WeakPolarHBondContact O-CB 3.39Å; A262-T265 PolarHBondContact O-N 3.23Å; A262-T265 VanDerWaalsContact O-N 3.11Å; A262-T265 PolarHBondContact O-OG1 3.45Å |
| 263 | P | 94.6 | Very high | 96.4 | Very high | 124 Ų | 124 | 41.5 Ų | 41.5 | 81% | 0.805 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.7 | -176 | -25.7 | 34.1 | 0 | 0 | 0 | 115.3 | T265 | P263-T265 VanDerWaalsContact C-N 3.33Š|
| 264 | E | 93.9 | Very high | 96.4 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.8 | -178.7 | 63.1 | -91.6 | -145.6 | 0 | 0 | 114.1 | A262 D266 N267 L268 | A262-E264 PolarHBondContact O-N 3Å; A262-E264 VanDerWaalsContact O-N 3.15Å; E264-D266 PolarHBondContact O-N 2.77Å; E264-N267 WeakPolarHBondContact O-CB 3.42Å; E264-N267 PolarHBondContact O-N 2.64Å; E264-N267 VanDerWaalsContact O-N 3.1Å; E264-L268 HydrophobicContact CB-CD1 4.43Å; E264-L268 HydrophobicContact CG-CD1 3.74Å; E264-L268 HydrophobicContact CG-CG 4.4Å; E264-L268 WeakPolarHBondContact O-CG 3.46Å; E264-L268 PolarHBondContact O-N 2.99Å |
| 265 | T | 96.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.6 | -44.2 | -170.3 | -75 | 0 | 0 | 0 | 0 | 113.4 | I258 S259 A262 P263 N267 L268 I269 | I258-T265 HydrophobicContact CD1-CG2 3.63Å; S259-T265 PolarHBondContact O-OG1 3.47Å; A262-T265 VanDerWaalsContact O-CB 3.3Å; A262-T265 WeakPolarHBondContact O-CB 3.39Å; A262-T265 PolarHBondContact O-N 3.23Å; A262-T265 VanDerWaalsContact O-N 3.11Å; A262-T265 PolarHBondContact O-OG1 3.45Å; P263-T265 VanDerWaalsContact C-N 3.33Å; T265-N267 VanDerWaalsContact C-N 3.3Å; T265-N267 PolarHBondContact O-N 3.49Å; T265-L268 PolarHBondContact O-N 3.07Å; T265-I269 HydrophobicContact CG2-CG1 4.18Å; T265-I269 WeakPolarHBondContact O-CB 3.4Å; T265-I269 WeakPolarHBondContact O-CG1 3.2Å; T265-I269 PolarHBondContact O-N 3.09Å |
| 266 | D | 95.5 | Very high | 96.4 | Very high | 134 Ų | 134 | 46.9 Ų | 46.9 | 72% | 0.717 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 179.2 | -73.6 | -15.7 | 0 | 0 | 0 | 112 | E264 A270 | E264-D266 PolarHBondContact O-N 2.77Å; D266-A270 VanDerWaalsContact O-CB 3.31Å; D266-A270 WeakPolarHBondContact O-CB 3.32Å; D266-A270 PolarHBondContact O-N 3.09Å |
| 267 | N | 96.9 | Very high | 96.2 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68.4 | -40.6 | 177.8 | -71.6 | -35 | 0 | 0 | 0 | 111.4 | E264 T265 A270 A271 | E264-N267 WeakPolarHBondContact O-CB 3.42Å; E264-N267 PolarHBondContact O-N 2.64Å; E264-N267 VanDerWaalsContact O-N 3.1Å; T265-N267 VanDerWaalsContact C-N 3.3Å; T265-N267 PolarHBondContact O-N 3.49Å; N267-A270 PolarHBondContact O-N 2.95Å; N267-A271 WeakPolarHBondContact O-CB 3.45Å; N267-A271 PolarHBondContact O-N 2.92Å |
| 268 | L | 97.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.7 | -69.2 | 173.1 | 0 | 0 | 0 | 111.1 | I258 E264 T265 A270 A271 Y272 P310 I331 | I258-L268 HydrophobicContact CG2-CD1 4.09Å; E264-L268 HydrophobicContact CB-CD1 4.43Å; E264-L268 HydrophobicContact CG-CD1 3.74Å; E264-L268 HydrophobicContact CG-CG 4.4Å; E264-L268 WeakPolarHBondContact O-CG 3.46Å; E264-L268 PolarHBondContact O-N 2.99Å; T265-L268 PolarHBondContact O-N 3.07Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 2.58Å; L268-A271 PolarHBondContact O-N 3.22Å; L268-Y272 WeakPolarHBondContact O-CB 3.49Å; L268-Y272 PolarHBondContact O-N 3.02Å; L268-P310 HydrophobicContact CD1-CB 3.67Å; L268-P310 HydrophobicContact CD1-CG 3.83Å; L268-I331 HydrophobicContact CD2-CB 3.78Å; L268-I331 HydrophobicContact CD2-CG2 3.82Å |
| 269 | I | 97.3 | Very high | 96 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 177.5 | -69.2 | -66 | 0 | 0 | 0 | 111.1 | L256 I258 T265 Y272 T273 | L256-I269 HydrophobicContact CD2-CD1 4.17Å; I258-I269 HydrophobicContact CD1-CD1 3.86Å; I258-I269 HydrophobicContact CD1-CG1 4.14Å; T265-I269 HydrophobicContact CG2-CG1 4.18Å; T265-I269 WeakPolarHBondContact O-CB 3.4Å; T265-I269 WeakPolarHBondContact O-CG1 3.2Å; T265-I269 PolarHBondContact O-N 3.09Å; I269-Y272 PolarHBondContact O-N 2.59Å; I269-T273 VanDerWaalsContact O-CB 3.28Å; I269-T273 WeakPolarHBondContact O-CB 3.28Å; I269-T273 PolarHBondContact O-N 3.27Å; I269-T273 PolarHBondContact O-OG1 3.34Å |
| 270 | A | 96.7 | Very high | 95.7 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D266 N267 L268 Y272 T273 K274 | D266-A270 VanDerWaalsContact O-CB 3.31Å; D266-A270 WeakPolarHBondContact O-CB 3.32Å; D266-A270 PolarHBondContact O-N 3.09Å; N267-A270 PolarHBondContact O-N 2.95Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 2.58Å; A270-Y272 VanDerWaalsContact C-N 3.32Å; A270-Y272 PolarHBondContact O-N 2.83Å; A270-T273 PolarHBondContact O-N 3.28Å; A270-K274 WeakPolarHBondContact O-CG 3.25Å; A270-K274 PolarHBondContact O-N 3.42Å; A270-K274 VanDerWaalsContact O-N 3.08Å |
| 271 | A | 97.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N267 L268 K274 A275 | N267-A271 WeakPolarHBondContact O-CB 3.45Å; N267-A271 PolarHBondContact O-N 2.92Å; L268-A271 PolarHBondContact O-N 3.22Å; A271-K274 PolarHBondContact O-N 3.45Å; A271-A275 PolarHBondContact O-N 3.5Å |
| 272 | Y | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.4 | -163.7 | -121.1 | 0 | 0 | 0 | 112.2 | V234 M254 L256 L268 I269 A270 K274 A275 A276 F285 V286 L336 | V234-Y272 HydrophobicContact CB-CD1 4.39Å; V234-Y272 HydrophobicContact CG1-CD1 3.77Å; V234-Y272 HydrophobicContact CG1-CE1 3.91Å; V234-Y272 HydrophobicContact CG2-CD1 3.66Å; V234-Y272 HydrophobicContact CG2-CE1 4.26Å; M254-Y272 HydrophobicContact CG-CE2 3.91Å; M254-Y272 WeakPolarHBondContact CG-OH 3.29Å; M254-Y272 PolarHBondContact O-OH 2.85Å; M254-Y272 HydrophobicContact SD-CE2 3.69Å; L256-Y272 HydrophobicContact CB-CD1 4.1Å; L256-Y272 HydrophobicContact CB-CD2 4.04Å; L256-Y272 HydrophobicContact CB-CE1 3.74Å; L256-Y272 HydrophobicContact CB-CE2 3.71Å; L256-Y272 HydrophobicContact CB-CG 4.24Å; L256-Y272 HydrophobicContact CD2-CD1 3.83Å; L256-Y272 HydrophobicContact CD2-CD2 3.91Å; L256-Y272 HydrophobicContact CD2-CE1 4.34Å; L256-Y272 HydrophobicContact CD2-CE2 4.45Å; L256-Y272 HydrophobicContact CD2-CG 3.58Å; L256-Y272 PolarHBondContact N-OH 3.13Å; L268-Y272 WeakPolarHBondContact O-CB 3.49Å; L268-Y272 PolarHBondContact O-N 3.02Å; I269-Y272 PolarHBondContact O-N 2.59Å; A270-Y272 VanDerWaalsContact C-N 3.32Å; A270-Y272 PolarHBondContact O-N 2.83Å; Y272-K274 PolarHBondContact O-N 3.38Å; Y272-A275 PolarHBondContact O-N 3.46Å; Y272-A276 VanDerWaalsContact O-CB 3.26Å; Y272-A276 WeakPolarHBondContact O-CB 3.37Å; Y272-A276 PolarHBondContact O-N 3.31Å; Y272-F285 HydrophobicContact CD1-CB 4.49Å; Y272-F285 HydrophobicContact CD1-CD1 4.25Å; Y272-F285 AromaticContact CD2-CD1 3.97Å; Y272-F285 HydrophobicContact CD2-CD1 3.97Å; Y272-F285 HydrophobicContact CD2-CE1 4.37Å; Y272-F285 HydrophobicContact CE1-CB 3.77Å; Y272-F285 AromaticContact CE1-CD1 3.83Å; Y272-F285 HydrophobicContact CE1-CD1 3.83Å; Y272-F285 HydrophobicContact CE1-CG 4.3Å; Y272-F285 AromaticContact CE2-CD1 3.49Å; Y272-F285 HydrophobicContact CE2-CD1 3.49Å; Y272-F285 VanDerWaalsContact CE2-CD1 3.49Å; Y272-F285 AromaticContact CE2-CE1 3.98Å; Y272-F285 HydrophobicContact CE2-CE1 3.98Å; Y272-F285 HydrophobicContact CG-CD1 4.31Å; Y272-F285 AromaticContact CZ-CD1 3.42Å; Y272-F285 VanDerWaalsContact CZ-CD1 3.42Å; Y272-V286 WeakPolarHBondContact CE1-O 3.32Å; Y272-V286 PolarHBondContact OH-N 2.94Å; Y272-V286 PolarHBondContact OH-O 2.95Å; Y272-V286 VanDerWaalsContact OH-O 3.07Å; Y272-L336 HydrophobicContact CD2-CD1 3.71Å; Y272-L336 HydrophobicContact CD2-CD2 3.81Å; Y272-L336 HydrophobicContact CD2-CG 4.36Å; Y272-L336 HydrophobicContact CE2-CD2 3.99Å; Y272-L336 HydrophobicContact CG-CD1 4.49Å |
| 273 | T | 97.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | I233 V234 I269 A270 A276 K277 | I233-T273 HydrophobicContact CB-CG2 4.36Å; I233-T273 HydrophobicContact CD1-CG2 4.49Å; I233-T273 HydrophobicContact CG2-CG2 3.84Å; V234-T273 WeakPolarHBondContact CG2-OG1 3.34Å; I269-T273 VanDerWaalsContact O-CB 3.28Å; I269-T273 WeakPolarHBondContact O-CB 3.28Å; I269-T273 PolarHBondContact O-N 3.27Å; I269-T273 PolarHBondContact O-OG1 3.34Å; A270-T273 PolarHBondContact O-N 3.28Å; T273-A276 PolarHBondContact O-N 3.4Å; T273-K277 WeakPolarHBondContact O-CG 3.41Å; T273-K277 PolarHBondContact O-N 3.25Å |
| 274 | K | 97.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.8 | -71.1 | 179.3 | -173.2 | 177.3 | 0 | 112.2 | A270 A271 Y272 E333 | A270-K274 WeakPolarHBondContact O-CG 3.25Å; A270-K274 PolarHBondContact O-N 3.42Å; A270-K274 VanDerWaalsContact O-N 3.08Å; A271-K274 PolarHBondContact O-N 3.45Å; Y272-K274 PolarHBondContact O-N 3.38Å; K274-E333 HydrophobicContact CB-CG 3.81Å; K274-E333 WeakPolarHBondContact CD-OE2 3.38Å |
| 275 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | A271 Y272 K277 R278 F279 F285 E333 L336 | A271-A275 PolarHBondContact O-N 3.5Å; Y272-A275 PolarHBondContact O-N 3.46Å; A275-K277 VanDerWaalsContact C-N 3.31Å; A275-K277 PolarHBondContact O-N 3.12Å; A275-R278 WeakPolarHBondContact O-CB 3.14Å; A275-R278 PolarHBondContact O-N 3.09Å; A275-F279 VanDerWaalsContact O-CD2 3.27Å; A275-F279 WeakPolarHBondContact O-CD2 3.3Å; A275-F285 HydrophobicContact CB-CE1 4.31Å; A275-E333 HydrophobicContact CB-CG 4.48Å; A275-L336 HydrophobicContact CB-CB 3.68Å; A275-L336 HydrophobicContact CB-CD1 4.22Å |
| 276 | A | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.6 | -42.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I233 V234 Y272 T273 R278 F279 K280 F285 | I233-A276 HydrophobicContact CG2-CB 3.44Å; I233-A276 VanDerWaalsContact CG2-CB 3.44Å; V234-A276 HydrophobicContact CG2-CB 4.41Å; Y272-A276 VanDerWaalsContact O-CB 3.26Å; Y272-A276 WeakPolarHBondContact O-CB 3.37Å; Y272-A276 PolarHBondContact O-N 3.31Å; T273-A276 PolarHBondContact O-N 3.4Å; A276-R278 PolarHBondContact O-N 3.15Å; A276-R278 VanDerWaalsContact O-N 3.07Å; A276-F279 PolarHBondContact O-N 2.8Å; A276-K280 PolarHBondContact O-N 2.85Å; A276-F285 HydrophobicContact CB-CB 3.69Å; A276-F285 HydrophobicContact CB-CD1 3.43Å; A276-F285 VanDerWaalsContact CB-CD1 3.43Å; A276-F285 HydrophobicContact CB-CD2 3.72Å; A276-F285 HydrophobicContact CB-CE1 3.94Å; A276-F285 HydrophobicContact CB-CE2 4.21Å; A276-F285 HydrophobicContact CB-CG 3.32Å; A276-F285 HydrophobicContact CB-CZ 4.3Å |
| 277 | K | 94.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 45% | 0.452 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -52.8 | -33.2 | 177.7 | -75.7 | -173.3 | -179.7 | -159.4 | 0 | 112.8 | D208 I233 T273 A275 F279 | D208-K277 IonicContact OD1-NZ 3.78Å; D208-K277 IonicContact OD2-NZ 2.67Å; I233-K277 HydrophobicContact CD1-CD 4.21Å; I233-K277 VanDerWaalsContact CD1-CE 3.42Å; I233-K277 HydrophobicContact CD1-CG 3.78Å; I233-K277 HydrophobicContact CG1-CG 4.45Å; I233-K277 HydrophobicContact CG2-CG 4.15Å; T273-K277 WeakPolarHBondContact O-CG 3.41Å; T273-K277 PolarHBondContact O-N 3.25Å; A275-K277 VanDerWaalsContact C-N 3.31Å; A275-K277 PolarHBondContact O-N 3.12Å; K277-F279 VanDerWaalsContact C-N 3.27Å; K277-F279 PolarHBondContact O-N 2.77Å |
| 278 | R | 95.8 | Very high | 95.7 | Very high | 155 Ų | 155 | 40.8 Ų | 40.8 | 59% | 0.585 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.4 | -179.1 | -59.2 | 176.4 | 63.1 | -176.1 | -0.2 | 113.8 | A275 A276 S337 | A275-R278 WeakPolarHBondContact O-CB 3.14Å; A275-R278 PolarHBondContact O-N 3.09Å; A276-R278 PolarHBondContact O-N 3.15Å; A276-R278 VanDerWaalsContact O-N 3.07Å; R278-S337 PolarHBondContact NH1-OG 2.8Å; R278-S337 VanDerWaalsContact NH1-OG 3.08Å |
| 279 | F | 95.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 14.1 | -174 | -58.8 | -82.1 | 0 | 0 | 0 | 112.7 | A275 A276 K277 G281 K282 M283 F285 S337 A340 Q341 L344 | A275-F279 VanDerWaalsContact O-CD2 3.27Å; A275-F279 WeakPolarHBondContact O-CD2 3.3Å; A276-F279 PolarHBondContact O-N 2.8Å; K277-F279 VanDerWaalsContact C-N 3.27Å; K277-F279 PolarHBondContact O-N 2.77Å; F279-G281 PolarHBondContact O-N 2.97Å; F279-K282 PolarHBondContact O-N 2.79Å; F279-M283 HydrophobicContact CB-CB 4.38Å; F279-M283 PolarHBondContact O-N 2.58Å; F279-M283 VanDerWaalsContact O-N 3.12Å; F279-F285 HydrophobicContact CB-CE2 3.77Å; F279-F285 HydrophobicContact CB-CZ 4.3Å; F279-F285 HydrophobicContact CD2-CE2 4.18Å; F279-F285 AromaticContact CD2-CZ 3.82Å; F279-F285 HydrophobicContact CD2-CZ 3.82Å; F279-F285 HydrophobicContact CG-CE2 4.3Å; F279-F285 HydrophobicContact CG-CZ 4.35Å; F279-S337 WeakPolarHBondContact CZ-O 3.26Å; F279-A340 HydrophobicContact CD1-CB 4.09Å; F279-A340 HydrophobicContact CD2-CB 3.87Å; F279-A340 HydrophobicContact CE1-CB 3.69Å; F279-A340 HydrophobicContact CE2-CB 3.49Å; F279-A340 VanDerWaalsContact CE2-CB 3.49Å; F279-A340 HydrophobicContact CG-CB 4.18Å; F279-A340 HydrophobicContact CZ-CB 3.39Å; F279-Q341 HydrophobicContact CE1-CB 4.48Å; F279-Q341 HydrophobicContact CZ-CB 4.44Å; F279-L344 HydrophobicContact CD1-CD1 3.61Å; F279-L344 HydrophobicContact CE1-CD1 3.89Å |
| 280 | K | 89.2 | Confident | 95.5 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 127.8 | 175.6 | -172.1 | 175.2 | 178.7 | -178.2 | 0 | 110.2 | E211 V228 N229 A276 K282 | E211-K280 IonicContact OE1-NZ 3.91Å; E211-K280 PolarHBondContact OE1-NZ 3.29Å; V228-K280 HydrophobicContact CG1-CD 4.33Å; V228-K280 HydrophobicContact CG1-CG 3.88Å; N229-K280 WeakPolarHBondContact OD1-CE 3.36Å; N229-K280 PolarHBondContact OD1-NZ 3.41Å; A276-K280 PolarHBondContact O-N 2.85Å; K280-K282 VanDerWaalsContact C-N 3.27Å; K280-K282 PolarHBondContact O-N 2.99Å |
| 281 | G | 86.3 | Confident | 95.3 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -10.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F279 | F279-G281 PolarHBondContact O-N 2.97Š|
| 282 | K | 90.7 | Very high | 95 | Very high | 134 Ų | 134 | 42.6 Ų | 42.6 | 58% | 0.583 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -37.2 | 177.5 | -61.5 | -178.2 | 180 | 179.8 | 0 | 112.9 | F279 K280 L344 | F279-K282 PolarHBondContact O-N 2.79Å; K280-K282 VanDerWaalsContact C-N 3.27Å; K280-K282 PolarHBondContact O-N 2.99Å; K282-L344 HydrophobicContact CB-CD1 4.44Å; K282-L344 HydrophobicContact CD-CD1 4.3Å |
| 283 | M | 93.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | trans | -143.3 | 140.2 | -178.4 | -178.9 | 162.5 | 69.6 | 0 | 0 | 109.7 | T252 M254 F279 F285 I314 A340 | T252-M283 HydrophobicContact CG2-CB 4.38Å; T252-M283 HydrophobicContact CG2-CG 3.8Å; T252-M283 HydrophobicContact CG2-SD 3.62Å; T252-M283 WeakPolarHBondContact O-CA 3.48Å; T252-M283 WeakPolarHBondContact O-CG 3.46Å; M254-M283 HydrophobicContact CB-CE 3.91Å; M254-M283 HydrophobicContact CB-CG 4.42Å; M254-M283 HydrophobicContact CB-SD 3.95Å; M254-M283 HydrophobicContact CE-CE 3.62Å; M254-M283 HydrophobicContact CE-SD 4.45Å; M254-M283 HydrophobicContact SD-CE 4.33Å; F279-M283 HydrophobicContact CB-CB 4.38Å; F279-M283 PolarHBondContact O-N 2.58Å; F279-M283 VanDerWaalsContact O-N 3.12Å; M283-F285 HydrophobicContact CB-CE2 4.16Å; M283-F285 HydrophobicContact CE-CD2 4.28Å; M283-F285 HydrophobicContact CE-CE1 4.31Å; M283-F285 HydrophobicContact CE-CE2 3.28Å; M283-F285 HydrophobicContact CE-CZ 3.31Å; M283-F285 HydrophobicContact CG-CD2 4.38Å; M283-F285 HydrophobicContact CG-CE2 4.07Å; M283-I314 HydrophobicContact SD-CD1 4.31Å; M283-I314 HydrophobicContact SD-CG1 4.32Å; M283-A340 HydrophobicContact CE-CB 3.36Å | ||
| 284 | L | 94.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.2 | 175.3 | -163.9 | 66 | 0 | 0 | 0 | 109.1 | M231 N235 I245 I250 T252 H253 M254 V286 | M231-L284 HydrophobicContact CE-CD1 4.06Å; M231-L284 HydrophobicContact SD-CD1 4.16Å; N235-L284 VanDerWaalsContact ND2-CD1 3.33Å; N235-L284 WeakPolarHBondContact ND2-CD1 3.28Å; I245-L284 HydrophobicContact CB-CD2 4.16Å; I245-L284 HydrophobicContact CG1-CD2 4.06Å; I245-L284 HydrophobicContact CG2-CD2 3.97Å; I250-L284 HydrophobicContact CG2-CB 4.19Å; T252-L284 PolarHBondContact O-N 2.81Å; H253-L284 CarbonylContact C-O 3.5Å; H253-L284 VanDerWaalsContact CA-O 3.26Å; H253-L284 WeakPolarHBondContact CA-O 3.46Å; H253-L284 VanDerWaalsContact CD2-CB 3.43Å; H253-L284 WeakPolarHBondContact CD2-CB 3.47Å; M254-L284 PolarHBondContact N-O 3.34Å; L284-V286 HydrophobicContact CD2-CG2 4.12Å; L284-V286 HydrophobicContact CG-CG2 4.15Å |
| 285 | F | 97.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.1 | 175.8 | -78.4 | -117.2 | 0 | 0 | 0 | 107.9 | V234 N235 M254 Y272 A275 A276 F279 M283 | V234-F285 WeakPolarHBondContact CA-O 3.48Å; N235-F285 PolarHBondContact N-O 2.76Å; M254-F285 HydrophobicContact CB-CD1 4.32Å; M254-F285 HydrophobicContact CB-CE1 4.35Å; M254-F285 HydrophobicContact CB-CG 4.49Å; M254-F285 HydrophobicContact CG-CE1 4.45Å; M254-F285 HydrophobicContact SD-CD1 4.09Å; M254-F285 HydrophobicContact SD-CE1 3.5Å; M254-F285 WeakPolarHBondContact SD-CE1 3.43Å; M254-F285 HydrophobicContact SD-CZ 4.02Å; Y272-F285 HydrophobicContact CD1-CB 4.49Å; Y272-F285 HydrophobicContact CD1-CD1 4.25Å; Y272-F285 AromaticContact CD2-CD1 3.97Å; Y272-F285 HydrophobicContact CD2-CD1 3.97Å; Y272-F285 HydrophobicContact CD2-CE1 4.37Å; Y272-F285 HydrophobicContact CE1-CB 3.77Å; Y272-F285 AromaticContact CE1-CD1 3.83Å; Y272-F285 HydrophobicContact CE1-CD1 3.83Å; Y272-F285 HydrophobicContact CE1-CG 4.3Å; Y272-F285 AromaticContact CE2-CD1 3.49Å; Y272-F285 HydrophobicContact CE2-CD1 3.49Å; Y272-F285 VanDerWaalsContact CE2-CD1 3.49Å; Y272-F285 AromaticContact CE2-CE1 3.98Å; Y272-F285 HydrophobicContact CE2-CE1 3.98Å; Y272-F285 HydrophobicContact CG-CD1 4.31Å; Y272-F285 AromaticContact CZ-CD1 3.42Å; Y272-F285 VanDerWaalsContact CZ-CD1 3.42Å; A275-F285 HydrophobicContact CB-CE1 4.31Å; A276-F285 HydrophobicContact CB-CB 3.69Å; A276-F285 HydrophobicContact CB-CD1 3.43Å; A276-F285 VanDerWaalsContact CB-CD1 3.43Å; A276-F285 HydrophobicContact CB-CD2 3.72Å; A276-F285 HydrophobicContact CB-CE1 3.94Å; A276-F285 HydrophobicContact CB-CE2 4.21Å; A276-F285 HydrophobicContact CB-CG 3.32Å; A276-F285 HydrophobicContact CB-CZ 4.3Å; F279-F285 HydrophobicContact CB-CE2 3.77Å; F279-F285 HydrophobicContact CB-CZ 4.3Å; F279-F285 HydrophobicContact CD2-CE2 4.18Å; F279-F285 AromaticContact CD2-CZ 3.82Å; F279-F285 HydrophobicContact CD2-CZ 3.82Å; F279-F285 HydrophobicContact CG-CE2 4.3Å; F279-F285 HydrophobicContact CG-CZ 4.35Å; M283-F285 HydrophobicContact CB-CE2 4.16Å; M283-F285 HydrophobicContact CE-CD2 4.28Å; M283-F285 HydrophobicContact CE-CE1 4.31Å; M283-F285 HydrophobicContact CE-CE2 3.28Å; M283-F285 HydrophobicContact CE-CZ 3.31Å; M283-F285 HydrophobicContact CG-CD2 4.38Å; M283-F285 HydrophobicContact CG-CE2 4.07Å |
| 286 | V | 97.6 | Very high | 93 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.5 | -175.3 | -180 | 0 | 0 | 0 | 0 | 108.9 | N235 F237 I245 H253 M254 L255 L256 Y272 L284 V288 | N235-V286 CarbonylContact O-C 3.54Å; N235-V286 WeakPolarHBondContact O-CA 3.29Å; N235-V286 WeakPolarHBondContact O-CG1 3.39Å; F237-V286 HydrophobicContact CB-CG1 3.71Å; I245-V286 HydrophobicContact CD1-CG1 3.99Å; I245-V286 HydrophobicContact CD1-CG2 4.2Å; I245-V286 HydrophobicContact CG1-CG2 4.36Å; I245-V286 HydrophobicContact CG2-CG2 4.02Å; H253-V286 HydrophobicContact CB-CG2 4.39Å; M254-V286 PolarHBondContact O-N 2.82Å; L255-V286 CarbonylContact C-O 3.58Å; L255-V286 WeakPolarHBondContact CA-O 3.43Å; L255-V286 HydrophobicContact CG-CB 4.26Å; L255-V286 HydrophobicContact CG-CG1 4.48Å; L256-V286 PolarHBondContact N-O 2.76Å; Y272-V286 WeakPolarHBondContact CE1-O 3.32Å; Y272-V286 PolarHBondContact OH-N 2.94Å; Y272-V286 PolarHBondContact OH-O 2.95Å; Y272-V286 VanDerWaalsContact OH-O 3.07Å; L284-V286 HydrophobicContact CD2-CG2 4.12Å; L284-V286 HydrophobicContact CG-CG2 4.15Å; V286-V288 HydrophobicContact CG1-CG2 4.36Å |
| 287 | S | 97.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.6 | 167.8 | 56.4 | 0 | 0 | 0 | 0 | 110 | N235 E236 F237 L256 | N235-S287 PolarHBondContact O-N 3.41Å; E236-S287 WeakPolarHBondContact CA-OG 3.42Å; F237-S287 WeakPolarHBondContact CB-O 3.49Å; F237-S287 PolarHBondContact N-O 2.75Å; L256-S287 CarbonylContact O-C 3.6Å; L256-S287 WeakPolarHBondContact O-CA 3.4Å |
| 288 | V | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.3 | 179.1 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | F237 L255 L256 F257 I258 V286 N295 V298 | F237-V288 HydrophobicContact CB-CG2 3.99Å; L255-V288 HydrophobicContact CB-CG2 4.47Å; L255-V288 HydrophobicContact CD2-CG2 3.93Å; L256-V288 PolarHBondContact O-N 3.37Å; F257-V288 WeakPolarHBondContact CA-O 3.35Å; F257-V288 HydrophobicContact CD1-CB 3.79Å; F257-V288 HydrophobicContact CD1-CG1 3.9Å; F257-V288 HydrophobicContact CD1-CG2 4.32Å; F257-V288 HydrophobicContact CE1-CB 3.99Å; F257-V288 HydrophobicContact CE1-CG1 3.93Å; F257-V288 HydrophobicContact CE1-CG2 4.07Å; F257-V288 HydrophobicContact CG-CB 4.35Å; F257-V288 HydrophobicContact CZ-CG2 4.34Å; I258-V288 PolarHBondContact N-O 2.97Å; V286-V288 HydrophobicContact CG1-CG2 4.36Å; V288-N295 HydrophobicContact CG1-CB 3.8Å; V288-V298 HydrophobicContact CG1-CB 4.42Å; V288-V298 HydrophobicContact CG1-CG1 4.45Å; V288-V298 HydrophobicContact CG2-CG1 4.49Å |
| 289 | D | 96.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.7 | 173.8 | 179.7 | 20.2 | 0 | 0 | 0 | 110.1 | I258 K260 E291 S292 N295 | I258-D289 WeakPolarHBondContact O-CA 3.32Å; K260-D289 HydrophobicContact CD-CB 4.09Å; K260-D289 WeakPolarHBondContact CD-OD2 3.16Å; K260-D289 HydrophobicContact CG-CB 3.96Å; K260-D289 PolarHBondContact N-OD1 2.95Å; K260-D289 VanDerWaalsContact N-OD1 3.1Å; D289-E291 PolarHBondContact O-N 3.01Å; D289-E291 PolarHBondContact OD1-N 3.39Å; D289-S292 PolarHBondContact O-N 2.8Å; D289-N295 WeakPolarHBondContact O-CB 3.33Å; D289-N295 PolarHBondContact O-ND2 2.96Å |
| 290 | I | 94.8 | Very high | 91.8 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.5 | -177.8 | 61.6 | 151.7 | 0 | 0 | 0 | 113.7 | F257 I258 S292 L299 E306 V309 | F257-I290 HydrophobicContact CB-CG2 4.39Å; F257-I290 HydrophobicContact CD1-CG2 4.26Å; I258-I290 WeakPolarHBondContact O-CG1 3.31Å; I258-I290 PolarHBondContact O-N 3.02Å; I290-S292 PolarHBondContact O-N 3.4Å; I290-L299 HydrophobicContact CG2-CD1 4.06Å; I290-L299 HydrophobicContact CG2-CD2 4.29Å; I290-E306 HydrophobicContact CD1-CB 4.11Å; I290-E306 HydrophobicContact CD1-CG 4.13Å; I290-V309 HydrophobicContact CD1-CB 3.92Å; I290-V309 HydrophobicContact CD1-CG1 3.87Å; I290-V309 HydrophobicContact CD1-CG2 3.94Å; I290-V309 HydrophobicContact CG1-CG1 4.13Å; I290-V309 HydrophobicContact CG2-CG2 4.01Å |
| 291 | E | 92.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 53.2 Ų | 53.2 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.4 | 175.3 | -59.3 | -176 | 143.3 | 0 | 0 | 111.7 | S259 K260 A261 D289 | S259-E291 PolarHBondContact OG-OE1 2.91Å; K260-E291 PolarHBondContact N-OE2 2.91Å; A261-E291 VanDerWaalsContact CB-OE1 3.28Å; A261-E291 WeakPolarHBondContact CB-OE1 3.38Å; A261-E291 WeakPolarHBondContact CB-OE2 3.36Å; A261-E291 PolarHBondContact N-OE2 3.47Å; D289-E291 PolarHBondContact O-N 3.01Å; D289-E291 PolarHBondContact OD1-N 3.39Å |
| 292 | S | 90.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -77.5 | 121.7 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | D289 I290 D294 N295 | D289-S292 PolarHBondContact O-N 2.8Å; I290-S292 PolarHBondContact O-N 3.4Å; S292-D294 PolarHBondContact O-N 3.03Å; S292-N295 WeakPolarHBondContact O-CB 3.07Å; S292-N295 PolarHBondContact O-N 3.11Å |
| 293 | E | 87.6 | Confident | 92.2 | Very high | 132 Ų | 132 | 47.1 Ų | 47.1 | 62% | 0.617 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -55.4 | -36.5 | 175.7 | -69.9 | -63.4 | 150.4 | 0 | 0 | 112.7 | N295 K296 | E293-N295 PolarHBondContact O-N 3.09Å; E293-K296 PolarHBondContact O-N 3.23Å; E293-K296 WeakPolarHBondContact OE1-CE 3.29Å; E293-K296 IonicContact OE1-NZ 2.68Å; E293-K296 PolarHBondContact OE1-NZ 2.97Å; E293-K296 WeakPolarHBondContact OE2-CD 3.16Å; E293-K296 VanDerWaalsContact OE2-CE 3.28Å; E293-K296 WeakPolarHBondContact OE2-CE 3.22Å; E293-K296 IonicContact OE2-NZ 2.66Å; E293-K296 PolarHBondContact OE2-NZ 3.05Å |
| 294 | D | 84.1 | Confident | 92.1 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 49% | 0.492 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -25.8 | 177.8 | -70.3 | -22.9 | 0 | 0 | 0 | 112.4 | Q239 S292 | Q239-D294 PolarHBondContact NE2-OD2 3.29Å; S292-D294 PolarHBondContact O-N 3.03Å |
| 295 | N | 90.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -92.1 | -12 | -175.4 | -69.1 | -12.4 | 0 | 0 | 0 | 113.5 | F237 V288 D289 S292 E293 R297 V298 L299 | F237-N295 WeakPolarHBondContact CD1-OD1 3.29Å; F237-N295 PolarHBondContact O-ND2 2.94Å; V288-N295 HydrophobicContact CG1-CB 3.8Å; D289-N295 WeakPolarHBondContact O-CB 3.33Å; D289-N295 PolarHBondContact O-ND2 2.96Å; S292-N295 WeakPolarHBondContact O-CB 3.07Å; S292-N295 PolarHBondContact O-N 3.11Å; E293-N295 PolarHBondContact O-N 3.09Å; N295-R297 PolarHBondContact O-N 2.99Å; N295-V298 WeakPolarHBondContact O-CA 3.5Å; N295-V298 VanDerWaalsContact O-CB 3.31Å; N295-V298 WeakPolarHBondContact O-CB 3.29Å; N295-V298 PolarHBondContact O-N 2.81Å; N295-L299 PolarHBondContact O-N 3.38Å |
| 296 | K | 87.8 | Confident | 91.7 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 177.1 | -72.2 | -173.2 | 178.4 | 166.1 | 0 | 112.3 | E293 V298 L299 E300 | E293-K296 PolarHBondContact O-N 3.23Å; E293-K296 WeakPolarHBondContact OE1-CE 3.29Å; E293-K296 IonicContact OE1-NZ 2.68Å; E293-K296 PolarHBondContact OE1-NZ 2.97Å; E293-K296 WeakPolarHBondContact OE2-CD 3.16Å; E293-K296 VanDerWaalsContact OE2-CE 3.28Å; E293-K296 WeakPolarHBondContact OE2-CE 3.22Å; E293-K296 IonicContact OE2-NZ 2.66Å; E293-K296 PolarHBondContact OE2-NZ 3.05Å; K296-V298 PolarHBondContact O-N 3.41Å; K296-L299 WeakPolarHBondContact O-CB 3.24Å; K296-L299 PolarHBondContact O-N 2.94Å; K296-L299 VanDerWaalsContact O-N 3.07Å; K296-E300 WeakPolarHBondContact O-CG 3.28Å; K296-E300 PolarHBondContact O-N 3.48Å |
| 297 | R | 86.8 | Confident | 91.4 | Very high | 195 Ų | 195 | 64.2 Ų | 64.2 | 74% | 0.736 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.3 | -31.6 | 175.2 | -174.4 | 176.8 | 176.8 | -174.9 | -0.4 | 112.6 | N295 F301 | N295-R297 PolarHBondContact O-N 2.99Å; R297-F301 VanDerWaalsContact O-CB 3.28Å; R297-F301 WeakPolarHBondContact O-CB 3.26Å; R297-F301 PolarHBondContact O-N 3.46Å |
| 298 | V | 91.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 175.5 | -172 | 0 | 0 | 0 | 0 | 109.6 | F237 L255 F257 V288 N295 K296 E300 F301 F302 | F237-V298 HydrophobicContact CD1-CG2 4.01Å; F237-V298 HydrophobicContact CE1-CG2 3.47Å; F237-V298 VanDerWaalsContact CE1-CG2 3.47Å; F237-V298 HydrophobicContact CZ-CG2 4.09Å; L255-V298 HydrophobicContact CD2-CG1 4.24Å; F257-V298 HydrophobicContact CE1-CB 4.47Å; F257-V298 HydrophobicContact CE1-CG1 3.9Å; F257-V298 HydrophobicContact CZ-CG1 4.09Å; V288-V298 HydrophobicContact CG1-CB 4.42Å; V288-V298 HydrophobicContact CG1-CG1 4.45Å; V288-V298 HydrophobicContact CG2-CG1 4.49Å; N295-V298 WeakPolarHBondContact O-CA 3.5Å; N295-V298 VanDerWaalsContact O-CB 3.31Å; N295-V298 WeakPolarHBondContact O-CB 3.29Å; N295-V298 PolarHBondContact O-N 2.81Å; K296-V298 PolarHBondContact O-N 3.41Å; V298-E300 PolarHBondContact O-N 3.09Å; V298-F301 WeakPolarHBondContact O-CB 3.41Å; V298-F301 PolarHBondContact O-N 2.85Å; V298-F302 HydrophobicContact CG1-CD2 4.25Å; V298-F302 HydrophobicContact CG1-CE2 4.11Å; V298-F302 VanDerWaalsContact O-CD2 3.31Å; V298-F302 WeakPolarHBondContact O-CD2 3.32Å; V298-F302 PolarHBondContact O-N 3.28Å |
| 299 | L | 91.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.9 | -166.7 | 71.4 | 0 | 0 | 0 | 111.6 | F257 I290 N295 K296 F301 F302 G303 M304 E306 V309 | F257-L299 HydrophobicContact CD1-CD1 3.65Å; F257-L299 HydrophobicContact CE1-CD1 4.13Å; F257-L299 HydrophobicContact CG-CD1 4.21Å; I290-L299 HydrophobicContact CG2-CD1 4.06Å; I290-L299 HydrophobicContact CG2-CD2 4.29Å; N295-L299 PolarHBondContact O-N 3.38Å; K296-L299 WeakPolarHBondContact O-CB 3.24Å; K296-L299 PolarHBondContact O-N 2.94Å; K296-L299 VanDerWaalsContact O-N 3.07Å; L299-F301 VanDerWaalsContact C-N 3.32Å; L299-F301 PolarHBondContact O-N 2.82Å; L299-F302 CarbonylContact O-C 3.51Å; L299-F302 PolarHBondContact O-N 3.1Å; L299-F302 VanDerWaalsContact O-N 3.16Å; L299-G303 PolarHBondContact O-N 2.94Å; L299-M304 HydrophobicContact CD1-CB 3.66Å; L299-M304 HydrophobicContact CD1-CE 3.81Å; L299-M304 HydrophobicContact CG-CB 3.98Å; L299-M304 WeakPolarHBondContact CG-O 3.49Å; L299-M304 PolarHBondContact O-N 3.18Å; L299-M304 VanDerWaalsContact O-N 3.09Å; L299-E306 HydrophobicContact CD2-CG 3.89Å; L299-V309 HydrophobicContact CD1-CG2 3.96Å |
| 300 | E | 89 | Confident | 91.1 | Very high | 138 Ų | 138 | 70.3 Ų | 70.3 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.2 | -40.6 | 174.5 | -69.5 | 171.7 | 175.3 | 0 | 0 | 112.1 | K296 V298 F302 G303 | K296-E300 WeakPolarHBondContact O-CG 3.28Å; K296-E300 PolarHBondContact O-N 3.48Å; V298-E300 PolarHBondContact O-N 3.09Å; E300-F302 PolarHBondContact O-N 3.02Å; E300-G303 WeakPolarHBondContact O-CA 3.44Å; E300-G303 PolarHBondContact O-N 3.31Å |
| 301 | F | 89.9 | Confident | 91.2 | Very high | 83 Ų | 83 | 70 Ų | 70 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.7 | -31.8 | 177.4 | 176 | -100.1 | 0 | 0 | 0 | 112.5 | R297 V298 L299 G303 I315 M321 K323 | R297-F301 VanDerWaalsContact O-CB 3.28Å; R297-F301 WeakPolarHBondContact O-CB 3.26Å; R297-F301 PolarHBondContact O-N 3.46Å; V298-F301 WeakPolarHBondContact O-CB 3.41Å; V298-F301 PolarHBondContact O-N 2.85Å; L299-F301 VanDerWaalsContact C-N 3.32Å; L299-F301 PolarHBondContact O-N 2.82Å; F301-G303 VanDerWaalsContact C-N 3.32Å; F301-I315 HydrophobicContact CE1-CD1 3.82Å; F301-I315 HydrophobicContact CZ-CD1 4.43Å; F301-M321 HydrophobicContact CE1-SD 4.08Å; F301-M321 HydrophobicContact CE2-SD 4.24Å; F301-M321 HydrophobicContact CZ-SD 3.36Å; F301-M321 WeakPolarHBondContact CZ-SD 3.42Å; F301-K323 HydrophobicContact CE1-CD 4.45Å; F301-K323 VanDerWaalsContact O-CE 3.32Å; F301-K323 WeakPolarHBondContact O-CE 3.41Å; F301-K323 PolarHBondContact O-NZ 2.82Å |
| 302 | F | 93.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 8.7 | 172.9 | -75.1 | -85.1 | 0 | 0 | 0 | 113.7 | L255 F257 V298 L299 E300 M304 R313 I315 K323 | L255-F302 HydrophobicContact CD1-CZ 4.02Å; L255-F302 HydrophobicContact CD2-CE2 3.65Å; L255-F302 HydrophobicContact CD2-CZ 3.91Å; F257-F302 HydrophobicContact CE1-CD2 4.39Å; F257-F302 HydrophobicContact CE2-CD2 4.24Å; F257-F302 AromaticContact CZ-CD2 3.5Å; F257-F302 HydrophobicContact CZ-CD2 3.5Å; F257-F302 VanDerWaalsContact CZ-CD2 3.5Å; F257-F302 AromaticContact CZ-CE2 3.87Å; F257-F302 HydrophobicContact CZ-CE2 3.87Å; F257-F302 HydrophobicContact CZ-CG 4.12Å; V298-F302 HydrophobicContact CG1-CD2 4.25Å; V298-F302 HydrophobicContact CG1-CE2 4.11Å; V298-F302 VanDerWaalsContact O-CD2 3.31Å; V298-F302 WeakPolarHBondContact O-CD2 3.32Å; V298-F302 PolarHBondContact O-N 3.28Å; L299-F302 CarbonylContact O-C 3.51Å; L299-F302 PolarHBondContact O-N 3.1Å; L299-F302 VanDerWaalsContact O-N 3.16Å; E300-F302 PolarHBondContact O-N 3.02Å; F302-M304 HydrophobicContact CB-CE 3.58Å; F302-M304 HydrophobicContact CB-CG 4.27Å; F302-M304 HydrophobicContact CG-CE 4.26Å; F302-M304 PolarHBondContact O-N 2.96Å; F302-R313 HydrophobicContact CB-CG 4.39Å; F302-R313 HydrophobicContact CD1-CB 3.68Å; F302-R313 HydrophobicContact CD1-CG 3.67Å; F302-R313 HydrophobicContact CE1-CB 3.69Å; F302-R313 HydrophobicContact CE1-CG 4.23Å; F302-R313 HydrophobicContact CG-CB 4.46Å; F302-R313 HydrophobicContact CG-CG 4.18Å; F302-R313 HydrophobicContact CZ-CB 4.5Å; F302-I315 HydrophobicContact CE1-CB 4.15Å; F302-I315 HydrophobicContact CZ-CB 3.97Å; F302-I315 HydrophobicContact CZ-CD1 4.03Å; F302-I315 HydrophobicContact CZ-CG1 4.49Å; F302-I315 HydrophobicContact CZ-CG2 4.31Å; F302-K323 HydrophobicContact CD1-CB 4.41Å; F302-K323 HydrophobicContact CD1-CD 4.18Å; F302-K323 HydrophobicContact CD1-CG 4.09Å; F302-K323 HydrophobicContact CE1-CB 4.4Å; F302-K323 HydrophobicContact CE1-CD 4.5Å; F302-K323 HydrophobicContact CE1-CG 3.98Å |
| 303 | G | 90.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 29 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L299 E300 F301 | L299-G303 PolarHBondContact O-N 2.94Å; E300-G303 WeakPolarHBondContact O-CA 3.44Å; E300-G303 PolarHBondContact O-N 3.31Å; F301-G303 VanDerWaalsContact C-N 3.32Å |
| 304 | M | 92 | Very high | 92.3 | Very high | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | trans | -101.3 | 154.2 | -178.9 | -66.9 | -173.5 | -65.3 | 0 | 0 | 111.5 | F257 L299 F302 E308 A311 R313 | F257-M304 HydrophobicContact CD1-CE 3.91Å; F257-M304 HydrophobicContact CD2-CE 3.33Å; F257-M304 HydrophobicContact CE1-CE 3.82Å; F257-M304 HydrophobicContact CE2-CE 3.25Å; F257-M304 HydrophobicContact CG-CE 3.69Å; F257-M304 HydrophobicContact CZ-CE 3.5Å; L299-M304 HydrophobicContact CD1-CB 3.66Å; L299-M304 HydrophobicContact CD1-CE 3.81Å; L299-M304 HydrophobicContact CG-CB 3.98Å; L299-M304 WeakPolarHBondContact CG-O 3.49Å; L299-M304 PolarHBondContact O-N 3.18Å; L299-M304 VanDerWaalsContact O-N 3.09Å; F302-M304 HydrophobicContact CB-CE 3.58Å; F302-M304 HydrophobicContact CB-CG 4.27Å; F302-M304 HydrophobicContact CG-CE 4.26Å; F302-M304 PolarHBondContact O-N 2.96Å; M304-E308 WeakPolarHBondContact CA-OE2 3.1Å; M304-A311 HydrophobicContact SD-CB 3.81Å; M304-R313 HydrophobicContact CE-CG 3.98Å; M304-R313 HydrophobicContact SD-CG 4.04Å; M304-R313 PolarHBondContact SD-NH2 2.83Å | ||
| 305 | K | 91 | Very high | 92.9 | Very high | 137 Ų | 137 | 54 Ų | 54 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | trans | -103.5 | 157.4 | 170.1 | -61.7 | 176.6 | -175.9 | 174.3 | 0 | 110.5 | T307 E308 | K305-T307 PolarHBondContact O-N 3.2Å; K305-T307 VanDerWaalsContact O-N 3.17Å; K305-E308 PolarHBondContact N-OE2 2.88Å; K305-E308 WeakPolarHBondContact O-CB 2.91Å; K305-E308 PolarHBondContact O-N 2.75Å | ||
| 306 | E | 92.4 | Very high | 93 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -57.1 | -32.7 | 176.4 | -66 | 179 | -172.2 | 0 | 0 | 112 | I290 L299 E308 V309 | I290-E306 HydrophobicContact CD1-CB 4.11Å; I290-E306 HydrophobicContact CD1-CG 4.13Å; L299-E306 HydrophobicContact CD2-CG 3.89Å; E306-E308 PolarHBondContact O-N 3.23Å; E306-V309 WeakPolarHBondContact O-CB 3.5Å; E306-V309 PolarHBondContact O-N 2.94Å; E306-V309 VanDerWaalsContact O-N 3.12Å |
| 307 | T | 93.2 | Very high | 93 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 79% | 0.791 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -67.3 | -11.6 | 176.7 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | K305 | K305-T307 PolarHBondContact O-N 3.2Å; K305-T307 VanDerWaalsContact O-N 3.17Å |
| 308 | E | 93 | Very high | 92.5 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -92.9 | -5.5 | 175.9 | -64.9 | 177.3 | 83.7 | 0 | 0 | 112.7 | M304 K305 E306 P310 A311 | M304-E308 WeakPolarHBondContact CA-OE2 3.1Å; K305-E308 PolarHBondContact N-OE2 2.88Å; K305-E308 WeakPolarHBondContact O-CB 2.91Å; K305-E308 PolarHBondContact O-N 2.75Å; E306-E308 PolarHBondContact O-N 3.23Å; E308-P310 CarbonylContact O-C 3.49Å; E308-A311 WeakPolarHBondContact O-CB 3.42Å |
| 309 | V | 95.3 | Very high | 91.4 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | trans | -84 | 137.6 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | F257 I290 L299 E306 | F257-V309 HydrophobicContact CB-CG1 4.5Å; F257-V309 HydrophobicContact CB-CG2 3.98Å; I290-V309 HydrophobicContact CD1-CB 3.92Å; I290-V309 HydrophobicContact CD1-CG1 3.87Å; I290-V309 HydrophobicContact CD1-CG2 3.94Å; I290-V309 HydrophobicContact CG1-CG1 4.13Å; I290-V309 HydrophobicContact CG2-CG2 4.01Å; L299-V309 HydrophobicContact CD1-CG2 3.96Å; E306-V309 WeakPolarHBondContact O-CB 3.5Å; E306-V309 PolarHBondContact O-N 2.94Å; E306-V309 VanDerWaalsContact O-N 3.12Å | ||
| 310 | P | 96.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | S | Bend | cis | -77.6 | 139.2 | 7.6 | 33 | -37.1 | 0 | 0 | 0 | 114.1 | F257 I258 L268 E308 I331 | F257-P310 VanDerWaalsContact O-CA 3.27Å; F257-P310 WeakPolarHBondContact O-CA 3.27Å; I258-P310 HydrophobicContact CG2-CB 4.25Å; L268-P310 HydrophobicContact CD1-CB 3.67Å; L268-P310 HydrophobicContact CD1-CG 3.83Å; E308-P310 CarbonylContact O-C 3.49Å; P310-I331 HydrophobicContact CB-CD1 3.94Å; P310-I331 HydrophobicContact CG-CD1 4.33Å |
| 311 | A | 96.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F257 M304 E308 | F257-A311 PolarHBondContact N-O 2.89Å; F257-A311 PolarHBondContact O-N 3.36Å; F257-A311 VanDerWaalsContact O-N 3.11Å; M304-A311 HydrophobicContact SD-CB 3.81Å; E308-A311 WeakPolarHBondContact O-CB 3.42Å |
| 312 | C | 97.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.5 | 170.8 | -72 | 0 | 0 | 0 | 0 | 112.2 | L255 L256 P326 F328 L336 | L255-C312 CarbonylContact O-C 3.6Å; L255-C312 VanDerWaalsContact O-CA 3.24Å; L255-C312 WeakPolarHBondContact O-CA 3.05Å; L256-C312 VanDerWaalsContact CD1-SG 3.56Å; C312-P326 HydrophobicContact CB-CG 4.37Å; C312-P326 WeakPolarHBondContact O-CD 3.5Å; C312-P326 WeakPolarHBondContact O-CG 3.44Å; C312-F328 HydrophobicContact CB-CZ 4.17Å; C312-L336 HydrophobicContact CB-CD2 4.42Å; C312-L336 WeakPolarHBondContact SG-CD2 3.48Å |
| 313 | R | 97.8 | Very high | 90.7 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 5% | 0.045 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.6 | 168 | -65.2 | -65.2 | -176.9 | -84.8 | -2.3 | 109.4 | M254 L255 F257 F302 M304 F324 | M254-R313 CarbonylContact C-O 3.42Å; M254-R313 WeakPolarHBondContact CA-O 3.49Å; L255-R313 PolarHBondContact N-O 2.98Å; L255-R313 PolarHBondContact O-N 2.85Å; F257-R313 HydrophobicContact CE2-CB 4.38Å; F257-R313 HydrophobicContact CE2-CG 4.31Å; F302-R313 HydrophobicContact CB-CG 4.39Å; F302-R313 HydrophobicContact CD1-CB 3.68Å; F302-R313 HydrophobicContact CD1-CG 3.67Å; F302-R313 HydrophobicContact CE1-CB 3.69Å; F302-R313 HydrophobicContact CE1-CG 4.23Å; F302-R313 HydrophobicContact CG-CB 4.46Å; F302-R313 HydrophobicContact CG-CG 4.18Å; F302-R313 HydrophobicContact CZ-CB 4.5Å; M304-R313 HydrophobicContact CE-CG 3.98Å; M304-R313 HydrophobicContact SD-CG 4.04Å; M304-R313 PolarHBondContact SD-NH2 2.83Å; R313-F324 WeakPolarHBondContact CA-O 3.34Å; R313-F324 WeakPolarHBondContact CD-O 3.37Å |
| 314 | I | 98.4 | Very high | 91 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141.2 | 162.5 | -69.8 | 165.8 | 0 | 0 | 0 | 107.7 | T252 H253 M254 M283 K323 F324 F339 F343 | T252-I314 HydrophobicContact CG2-CG2 3.93Å; H253-I314 CarbonylContact O-C 3.56Å; H253-I314 WeakPolarHBondContact O-CA 3.33Å; M254-I314 HydrophobicContact CB-CG1 4.18Å; M254-I314 HydrophobicContact CE-CD1 3.62Å; M254-I314 HydrophobicContact CE-CG1 3.72Å; M254-I314 HydrophobicContact CG-CG1 4.15Å; M283-I314 HydrophobicContact SD-CD1 4.31Å; M283-I314 HydrophobicContact SD-CG1 4.32Å; I314-K323 CarbonylContact O-C 3.58Å; I314-K323 WeakPolarHBondContact O-CA 3.31Å; I314-F324 HydrophobicContact CB-CB 4.14Å; I314-F324 HydrophobicContact CG2-CD2 4.26Å; I314-F324 PolarHBondContact N-O 3.44Å; I314-F324 PolarHBondContact O-N 3.06Å; I314-F339 HydrophobicContact CB-CE1 4.28Å; I314-F339 HydrophobicContact CB-CZ 4.16Å; I314-F339 HydrophobicContact CD1-CD1 3.78Å; I314-F339 HydrophobicContact CD1-CD2 4.23Å; I314-F339 HydrophobicContact CD1-CE1 3.62Å; I314-F339 HydrophobicContact CD1-CE2 4.11Å; I314-F339 HydrophobicContact CD1-CG 4.07Å; I314-F339 HydrophobicContact CD1-CZ 3.77Å; I314-F339 HydrophobicContact CG1-CD1 4.09Å; I314-F339 HydrophobicContact CG1-CE1 3.53Å; I314-F339 HydrophobicContact CG1-CZ 3.84Å; I314-F343 HydrophobicContact CB-CD2 4.49Å; I314-F343 HydrophobicContact CD1-CB 3.59Å; I314-F343 HydrophobicContact CD1-CD2 4.37Å; I314-F343 HydrophobicContact CD1-CG 3.94Å; I314-F343 HydrophobicContact CG2-CD1 4.27Å; I314-F343 HydrophobicContact CG2-CD2 3.65Å; I314-F343 HydrophobicContact CG2-CE1 4.41Å; I314-F343 HydrophobicContact CG2-CE2 3.76Å; I314-F343 HydrophobicContact CG2-CG 3.92Å; I314-F343 HydrophobicContact CG2-CZ 4.15Å |
| 315 | I | 95.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.5 | 168.7 | -169.7 | 174.9 | 0 | 0 | 0 | 109.5 | T252 H253 L255 F301 F302 I317 M321 Q322 | T252-I315 WeakPolarHBondContact CA-O 3.29Å; H253-I315 HydrophobicContact CB-CG2 3.77Å; H253-I315 PolarHBondContact N-O 3.29Å; H253-I315 PolarHBondContact O-N 2.9Å; L255-I315 HydrophobicContact CD1-CB 4.38Å; L255-I315 HydrophobicContact CD1-CG2 3.49Å; L255-I315 VanDerWaalsContact CD1-CG2 3.49Å; F301-I315 HydrophobicContact CE1-CD1 3.82Å; F301-I315 HydrophobicContact CZ-CD1 4.43Å; F302-I315 HydrophobicContact CE1-CB 4.15Å; F302-I315 HydrophobicContact CZ-CB 3.97Å; F302-I315 HydrophobicContact CZ-CD1 4.03Å; F302-I315 HydrophobicContact CZ-CG1 4.49Å; F302-I315 HydrophobicContact CZ-CG2 4.31Å; I315-I317 HydrophobicContact CD1-CG1 4.34Å; I315-I317 HydrophobicContact CG1-CG1 4.19Å; I315-I317 HydrophobicContact CG2-CD1 4.45Å; I315-I317 HydrophobicContact CG2-CG1 4.29Å; I315-M321 HydrophobicContact CD1-CG 3.84Å; I315-M321 HydrophobicContact CD1-SD 3.81Å; I315-M321 HydrophobicContact CG1-CG 4.06Å; I315-Q322 CarbonylContact C-O 3.54Å; I315-Q322 WeakPolarHBondContact CA-O 3.2Å |
| 316 | S | 93.7 | Very high | 91.5 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.9 | 169.2 | -166.9 | 0 | 0 | 0 | 0 | 108.5 | M321 Q322 | S316-M321 WeakPolarHBondContact O-CA 3.48Å; S316-Q322 PolarHBondContact N-O 3.42Å; S316-Q322 PolarHBondContact O-N 2.88Å; S316-Q322 VanDerWaalsContact O-N 3.09Å |
| 317 | I | 86.5 | Confident | 91.5 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 78.5 | -174.8 | -51.7 | 177.7 | 0 | 0 | 0 | 108.2 | F246 K251 H253 I315 | F246-I317 HydrophobicContact CD1-CD1 3.67Å; F246-I317 HydrophobicContact CE1-CD1 3.88Å; K251-I317 HydrophobicContact CB-CB 4.5Å; K251-I317 VanDerWaalsContact CB-O 3.25Å; K251-I317 WeakPolarHBondContact CB-O 3.15Å; K251-I317 WeakPolarHBondContact CD-O 3.48Å; K251-I317 WeakPolarHBondContact CG-O 3.21Å; K251-I317 WeakPolarHBondContact O-CB 3.44Å; K251-I317 PolarHBondContact O-N 3.17Å; H253-I317 WeakPolarHBondContact CE1-CD1 3.46Å; H253-I317 WeakPolarHBondContact ND1-CD1 3.27Å; I315-I317 HydrophobicContact CD1-CG1 4.34Å; I315-I317 HydrophobicContact CG1-CG1 4.19Å; I315-I317 HydrophobicContact CG2-CD1 4.45Å; I315-I317 HydrophobicContact CG2-CG1 4.29Å |
| 318 | G | 76 | Confident | 91.5 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 55% | 0.546 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -114.3 | -154.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D320 | G318-D320 VanDerWaalsContact C-N 3.25Š|
| 319 | E | 68.9 | Low | 91.3 | Very high | 199 Ų | 199 | 59.6 Ų | 59.6 | 93% | 0.93 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -57.7 | -43.6 | 166.6 | -68.5 | -179.9 | 172.2 | 0 | 0 | 110.5 | ||
| 320 | D | 75.8 | Confident | 91.3 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -102 | 117.1 | 169.1 | -72.5 | -39.4 | 0 | 0 | 0 | 110.8 | G318 Q322 | G318-D320 VanDerWaalsContact C-N 3.25Å; D320-Q322 PolarHBondContact O-N 3.4Å |
| 321 | M | 86.1 | Confident | 91.3 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.6 | 174.2 | -169.9 | 176.6 | -64.1 | 0 | 0 | 109.9 | F301 I315 S316 | F301-M321 HydrophobicContact CE1-SD 4.08Å; F301-M321 HydrophobicContact CE2-SD 4.24Å; F301-M321 HydrophobicContact CZ-SD 3.36Å; F301-M321 WeakPolarHBondContact CZ-SD 3.42Å; I315-M321 HydrophobicContact CD1-CG 3.84Å; I315-M321 HydrophobicContact CD1-SD 3.81Å; I315-M321 HydrophobicContact CG1-CG 4.06Å; S316-M321 WeakPolarHBondContact O-CA 3.48Å |
| 322 | Q | 92.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 66.5 Ų | 66.5 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.6 | -177.8 | -65.6 | 180 | -47 | 0 | 0 | 111.3 | I315 S316 D320 F324 P350 | I315-Q322 CarbonylContact C-O 3.54Å; I315-Q322 WeakPolarHBondContact CA-O 3.2Å; S316-Q322 PolarHBondContact N-O 3.42Å; S316-Q322 PolarHBondContact O-N 2.88Å; S316-Q322 VanDerWaalsContact O-N 3.09Å; D320-Q322 PolarHBondContact O-N 3.4Å; Q322-F324 HydrophobicContact CB-CE2 3.56Å; Q322-F324 HydrophobicContact CB-CZ 3.96Å; Q322-P350 HydrophobicContact CG-CG 4.5Å |
| 323 | K | 95.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 70.1 Ų | 70.1 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144 | 176.5 | -60.7 | 164.5 | -171 | 165.1 | 0 | 109 | F301 F302 I314 P350 H351 E428 | F301-K323 HydrophobicContact CE1-CD 4.45Å; F301-K323 VanDerWaalsContact O-CE 3.32Å; F301-K323 WeakPolarHBondContact O-CE 3.41Å; F301-K323 PolarHBondContact O-NZ 2.82Å; F302-K323 HydrophobicContact CD1-CB 4.41Å; F302-K323 HydrophobicContact CD1-CD 4.18Å; F302-K323 HydrophobicContact CD1-CG 4.09Å; F302-K323 HydrophobicContact CE1-CB 4.4Å; F302-K323 HydrophobicContact CE1-CD 4.5Å; F302-K323 HydrophobicContact CE1-CG 3.98Å; I314-K323 CarbonylContact O-C 3.58Å; I314-K323 WeakPolarHBondContact O-CA 3.31Å; K323-P350 CarbonylContact O-C 3.54Å; K323-P350 WeakPolarHBondContact O-CA 3.45Å; K323-H351 PolarHBondContact O-N 3.38Å; K323-E428 WeakPolarHBondContact CE-OE1 3.4Å; K323-E428 IonicContact NZ-OE1 2.75Å; K323-E428 PolarHBondContact NZ-OE1 3.46Å |
| 324 | F | 97.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.6 | 178.7 | -60.6 | -98.1 | 0 | 0 | 0 | 109.6 | R313 I314 Q322 F339 F343 L348 K349 P350 | R313-F324 WeakPolarHBondContact CA-O 3.34Å; R313-F324 WeakPolarHBondContact CD-O 3.37Å; I314-F324 HydrophobicContact CB-CB 4.14Å; I314-F324 HydrophobicContact CG2-CD2 4.26Å; I314-F324 PolarHBondContact N-O 3.44Å; I314-F324 PolarHBondContact O-N 3.06Å; Q322-F324 HydrophobicContact CB-CE2 3.56Å; Q322-F324 HydrophobicContact CB-CZ 3.96Å; F324-F339 HydrophobicContact CB-CE2 4.4Å; F324-F339 HydrophobicContact CB-CZ 4.22Å; F324-F343 HydrophobicContact CD1-CD2 4.39Å; F324-F343 AromaticContact CD2-CD2 3.98Å; F324-F343 HydrophobicContact CD2-CD2 3.98Å; F324-F343 AromaticContact CD2-CE2 3.75Å; F324-F343 HydrophobicContact CD2-CE2 3.75Å; F324-F343 HydrophobicContact CE1-CD2 4.42Å; F324-F343 HydrophobicContact CE1-CE2 4.42Å; F324-F343 HydrophobicContact CE2-CD2 4.06Å; F324-F343 AromaticContact CE2-CE2 3.46Å; F324-F343 HydrophobicContact CE2-CE2 3.46Å; F324-F343 VanDerWaalsContact CE2-CE2 3.46Å; F324-F343 HydrophobicContact CG-CD2 4.17Å; F324-F343 HydrophobicContact CG-CE2 4.38Å; F324-F343 HydrophobicContact CZ-CD2 4.27Å; F324-F343 AromaticContact CZ-CE2 3.82Å; F324-F343 HydrophobicContact CZ-CE2 3.82Å; F324-L348 HydrophobicContact CB-CD1 4.42Å; F324-L348 HydrophobicContact CD1-CB 3.63Å; F324-L348 HydrophobicContact CD1-CD1 4.36Å; F324-L348 HydrophobicContact CE1-CB 4.07Å; F324-K349 WeakPolarHBondContact CD1-O 3.43Å; F324-P350 HydrophobicContact CE1-CB 4.47Å; F324-P350 HydrophobicContact CE1-CG 4.08Å; F324-P350 HydrophobicContact CZ-CG 4.15Å |
| 325 | K | 96.5 | Very high | 91.4 | Very high | 91 Ų | 91 | 77.9 Ų | 77.9 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | trans | -109.4 | 132.2 | 179.5 | 180 | 172.9 | -178.6 | 171.5 | 0 | 109.3 | H351 | K325-H351 HydrophobicContact CB-CB 3.73Š| ||
| 326 | P | 96.5 | Very high | 91.5 | Very high | 17 Ų | 17 | 77.5 Ų | 77.5 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | trans | -72 | 153.9 | 176.2 | 29.4 | -34.4 | 0 | 0 | 0 | 111.8 | C312 F328 F339 | C312-P326 HydrophobicContact CB-CG 4.37Å; C312-P326 WeakPolarHBondContact O-CD 3.5Å; C312-P326 WeakPolarHBondContact O-CG 3.44Å; P326-F328 HydrophobicContact CB-CD1 3.54Å; P326-F328 HydrophobicContact CB-CD2 4.25Å; P326-F328 HydrophobicContact CB-CE1 3.26Å; P326-F328 HydrophobicContact CB-CE2 3.97Å; P326-F328 HydrophobicContact CB-CG 4.04Å; P326-F328 HydrophobicContact CB-CZ 3.48Å; P326-F328 VanDerWaalsContact CB-CZ 3.48Å; P326-F328 HydrophobicContact CG-CE1 4.06Å; P326-F328 HydrophobicContact CG-CE2 3.97Å; P326-F328 HydrophobicContact CG-CZ 3.73Å; P326-F339 HydrophobicContact CB-CD1 3.98Å; P326-F339 HydrophobicContact CB-CD2 4.02Å; P326-F339 HydrophobicContact CB-CE1 3.97Å; P326-F339 HydrophobicContact CB-CE2 3.98Å; P326-F339 HydrophobicContact CB-CG 4.03Å; P326-F339 HydrophobicContact CB-CZ 3.99Å; P326-F339 HydrophobicContact CG-CE1 4.19Å; P326-F339 HydrophobicContact CG-CZ 4.34Å | ||
| 327 | E | 92.3 | Very high | 91.7 | Very high | 196 Ų | 196 | 76.4 Ų | 76.4 | 92% | 0.916 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -89 | -16.4 | 172.9 | -61.9 | -170.5 | 162.1 | 0 | 0 | 113.2 | ||
| 328 | F | 93.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 79.8 Ų | 79.8 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | trans | -71.8 | 150.9 | -179.5 | 61.2 | -110.8 | 0 | 0 | 0 | 111.9 | C312 P326 E330 I331 S335 L336 F339 | C312-F328 HydrophobicContact CB-CZ 4.17Å; P326-F328 HydrophobicContact CB-CD1 3.54Å; P326-F328 HydrophobicContact CB-CD2 4.25Å; P326-F328 HydrophobicContact CB-CE1 3.26Å; P326-F328 HydrophobicContact CB-CE2 3.97Å; P326-F328 HydrophobicContact CB-CG 4.04Å; P326-F328 HydrophobicContact CB-CZ 3.48Å; P326-F328 VanDerWaalsContact CB-CZ 3.48Å; P326-F328 HydrophobicContact CG-CE1 4.06Å; P326-F328 HydrophobicContact CG-CE2 3.97Å; P326-F328 HydrophobicContact CG-CZ 3.73Å; F328-E330 VanDerWaalsContact CD2-O 3.29Å; F328-E330 WeakPolarHBondContact CD2-O 3.34Å; F328-I331 HydrophobicContact CE2-CG1 3.95Å; F328-S335 WeakPolarHBondContact CE1-O 3.5Å; F328-L336 HydrophobicContact CZ-CD2 4.34Å; F328-F339 HydrophobicContact CD1-CB 4.3Å; F328-F339 HydrophobicContact CE1-CB 3.65Å; F328-F339 HydrophobicContact CE1-CD1 4.04Å; F328-F339 AromaticContact CE1-CG 3.99Å; F328-F339 HydrophobicContact CE1-CG 3.99Å; F328-F339 HydrophobicContact CZ-CD1 4.41Å | ||
| 329 | K | 89.1 | Confident | 93.3 | Very high | 209 Ų | 209 | 77.4 Ų | 77.4 | 91% | 0.909 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -95.3 | -29.8 | 175.8 | -63.5 | -175.9 | -180 | -178 | 0 | 113.5 | ||
| 330 | E | 93.7 | Very high | 94.7 | Very high | 150 Ų | 150 | 67.9 Ų | 67.9 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -109.5 | 132.2 | -177.9 | -67.8 | -179.4 | -174.6 | 0 | 0 | 110.8 | F328 T332 S335 | F328-E330 VanDerWaalsContact CD2-O 3.29Å; F328-E330 WeakPolarHBondContact CD2-O 3.34Å; E330-T332 HydrophobicContact CB-CG2 4.37Å; E330-T332 PolarHBondContact O-N 3.32Å; E330-S335 PolarHBondContact O-OG 2.94Å |
| 331 | I | 97.2 | Very high | 95.8 | Very high | 27 Ų | 27 | 68 Ų | 68 | 14% | 0.138 | 32% | 0.319 | C | S | . | . | trans | -85.8 | 108.1 | 176.2 | -61.7 | 170 | 0 | 0 | 0 | 108.2 | L256 L268 P310 F328 L336 | L256-I331 HydrophobicContact CD1-CD1 3.92Å; L256-I331 HydrophobicContact CD1-CG2 4.45Å; L268-I331 HydrophobicContact CD2-CB 3.78Å; L268-I331 HydrophobicContact CD2-CG2 3.82Å; P310-I331 HydrophobicContact CB-CD1 3.94Å; P310-I331 HydrophobicContact CG-CD1 4.33Å; F328-I331 HydrophobicContact CE2-CG1 3.95Å; I331-L336 HydrophobicContact CG2-CD1 3.88Å; I331-L336 HydrophobicContact CG2-CD2 4.1Å; I331-L336 HydrophobicContact CG2-CG 4.07Å | ||
| 332 | T | 97.6 | Very high | 96.4 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | trans | -136.1 | 161.1 | 178.2 | 67 | 0 | 0 | 0 | 0 | 109.1 | E330 K334 S335 L336 | E330-T332 HydrophobicContact CB-CG2 4.37Å; E330-T332 PolarHBondContact O-N 3.32Å; T332-K334 PolarHBondContact O-N 2.96Å; T332-K334 VanDerWaalsContact O-N 3.14Å; T332-S335 PolarHBondContact N-OG 3.12Å; T332-S335 PolarHBondContact O-N 3.31Å; T332-S335 PolarHBondContact O-OG 2.85Å; T332-S335 PolarHBondContact OG1-N 2.98Å; T332-S335 VanDerWaalsContact OG1-N 3.13Å; T332-S335 PolarHBondContact OG1-OG 2.96Å; T332-L336 WeakPolarHBondContact O-CB 3.35Å; T332-L336 WeakPolarHBondContact O-CD1 3.37Å; T332-L336 WeakPolarHBondContact O-CG 3.27Å; T332-L336 PolarHBondContact O-N 2.96Å | ||
| 333 | E | 97.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51.3 | -40.5 | 175 | -179.8 | -171.3 | 154.3 | 0 | 0 | 112 | K274 A275 S337 | K274-E333 HydrophobicContact CB-CG 3.81Å; K274-E333 WeakPolarHBondContact CD-OE2 3.38Å; A275-E333 HydrophobicContact CB-CG 4.48Å; E333-S337 VanDerWaalsContact O-CB 3.29Å; E333-S337 WeakPolarHBondContact O-CB 3.48Å; E333-S337 PolarHBondContact O-N 3.07Å; E333-S337 PolarHBondContact O-OG 3.33Å |
| 334 | K | 98 | Very high | 96.7 | Very high | 161 Ų | 161 | 66.5 Ų | 66.5 | 70% | 0.7 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.5 | -50.4 | 179.9 | -176.2 | -177.3 | 175.6 | -174.1 | 0 | 111.7 | T332 S337 Q338 | T332-K334 PolarHBondContact O-N 2.96Å; T332-K334 VanDerWaalsContact O-N 3.14Å; K334-S337 PolarHBondContact O-N 3.14Å; K334-Q338 WeakPolarHBondContact O-CB 3.4Å; K334-Q338 PolarHBondContact O-N 3.36Å |
| 335 | S | 98.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | -177.6 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | F328 E330 T332 Q338 F339 | F328-S335 WeakPolarHBondContact CE1-O 3.5Å; E330-S335 PolarHBondContact O-OG 2.94Å; T332-S335 PolarHBondContact N-OG 3.12Å; T332-S335 PolarHBondContact O-N 3.31Å; T332-S335 PolarHBondContact O-OG 2.85Å; T332-S335 PolarHBondContact OG1-N 2.98Å; T332-S335 VanDerWaalsContact OG1-N 3.13Å; T332-S335 PolarHBondContact OG1-OG 2.96Å; S335-Q338 PolarHBondContact O-N 3.42Å; S335-F339 WeakPolarHBondContact O-CB 3.5Å; S335-F339 PolarHBondContact O-N 3.43Å |
| 336 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 173 | -69.4 | 165.8 | 0 | 0 | 0 | 112.5 | M254 Y272 A275 C312 F328 I331 T332 Q338 F339 A340 | M254-L336 HydrophobicContact SD-CD2 3.95Å; Y272-L336 HydrophobicContact CD2-CD1 3.71Å; Y272-L336 HydrophobicContact CD2-CD2 3.81Å; Y272-L336 HydrophobicContact CD2-CG 4.36Å; Y272-L336 HydrophobicContact CE2-CD2 3.99Å; Y272-L336 HydrophobicContact CG-CD1 4.49Å; A275-L336 HydrophobicContact CB-CB 3.68Å; A275-L336 HydrophobicContact CB-CD1 4.22Å; C312-L336 HydrophobicContact CB-CD2 4.42Å; C312-L336 WeakPolarHBondContact SG-CD2 3.48Å; F328-L336 HydrophobicContact CZ-CD2 4.34Å; I331-L336 HydrophobicContact CG2-CD1 3.88Å; I331-L336 HydrophobicContact CG2-CD2 4.1Å; I331-L336 HydrophobicContact CG2-CG 4.07Å; T332-L336 WeakPolarHBondContact O-CB 3.35Å; T332-L336 WeakPolarHBondContact O-CD1 3.37Å; T332-L336 WeakPolarHBondContact O-CG 3.27Å; T332-L336 PolarHBondContact O-N 2.96Å; L336-Q338 VanDerWaalsContact C-N 3.31Å; L336-Q338 PolarHBondContact O-N 3.28Å; L336-F339 PolarHBondContact O-N 2.81Å; L336-A340 WeakPolarHBondContact O-CB 3.45Å; L336-A340 PolarHBondContact O-N 3.39Å |
| 337 | S | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.028 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | R278 F279 E333 K334 Q341 | R278-S337 PolarHBondContact NH1-OG 2.8Å; R278-S337 VanDerWaalsContact NH1-OG 3.08Å; F279-S337 WeakPolarHBondContact CZ-O 3.26Å; E333-S337 VanDerWaalsContact O-CB 3.29Å; E333-S337 WeakPolarHBondContact O-CB 3.48Å; E333-S337 PolarHBondContact O-N 3.07Å; E333-S337 PolarHBondContact O-OG 3.33Å; K334-S337 PolarHBondContact O-N 3.14Å; S337-Q341 WeakPolarHBondContact O-CB 3.43Å; S337-Q341 PolarHBondContact O-N 3.26Å |
| 338 | Q | 98.1 | Very high | 96.7 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -48.4 | 176.9 | 179.2 | 175 | -12.4 | 0 | 0 | 110.8 | K334 S335 L336 A340 Q341 E342 | K334-Q338 WeakPolarHBondContact O-CB 3.4Å; K334-Q338 PolarHBondContact O-N 3.36Å; S335-Q338 PolarHBondContact O-N 3.42Å; L336-Q338 VanDerWaalsContact C-N 3.31Å; L336-Q338 PolarHBondContact O-N 3.28Å; Q338-A340 VanDerWaalsContact C-N 3.33Å; Q338-A340 PolarHBondContact O-N 2.95Å; Q338-Q341 PolarHBondContact O-N 2.77Å; Q338-Q341 VanDerWaalsContact O-N 3.1Å; Q338-E342 HydrophobicContact CG-CG 4.28Å; Q338-E342 VanDerWaalsContact CG-OE1 3.26Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.4Å; Q338-E342 PolarHBondContact NE2-OE1 2.81Å; Q338-E342 WeakPolarHBondContact O-CB 3.46Å; Q338-E342 WeakPolarHBondContact O-CG 3.43Å; Q338-E342 PolarHBondContact O-N 2.86Å |
| 339 | F | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 73.2 Ų | 73.2 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.3 | 179.3 | -135.1 | 0 | 0 | 0 | 112.5 | M254 I314 F324 P326 F328 S335 L336 F343 L348 | M254-F339 HydrophobicContact CE-CD1 3.59Å; M254-F339 HydrophobicContact CE-CE1 4.21Å; M254-F339 HydrophobicContact CE-CG 4.33Å; I314-F339 HydrophobicContact CB-CE1 4.28Å; I314-F339 HydrophobicContact CB-CZ 4.16Å; I314-F339 HydrophobicContact CD1-CD1 3.78Å; I314-F339 HydrophobicContact CD1-CD2 4.23Å; I314-F339 HydrophobicContact CD1-CE1 3.62Å; I314-F339 HydrophobicContact CD1-CE2 4.11Å; I314-F339 HydrophobicContact CD1-CG 4.07Å; I314-F339 HydrophobicContact CD1-CZ 3.77Å; I314-F339 HydrophobicContact CG1-CD1 4.09Å; I314-F339 HydrophobicContact CG1-CE1 3.53Å; I314-F339 HydrophobicContact CG1-CZ 3.84Å; F324-F339 HydrophobicContact CB-CE2 4.4Å; F324-F339 HydrophobicContact CB-CZ 4.22Å; P326-F339 HydrophobicContact CB-CD1 3.98Å; P326-F339 HydrophobicContact CB-CD2 4.02Å; P326-F339 HydrophobicContact CB-CE1 3.97Å; P326-F339 HydrophobicContact CB-CE2 3.98Å; P326-F339 HydrophobicContact CB-CG 4.03Å; P326-F339 HydrophobicContact CB-CZ 3.99Å; P326-F339 HydrophobicContact CG-CE1 4.19Å; P326-F339 HydrophobicContact CG-CZ 4.34Å; F328-F339 HydrophobicContact CD1-CB 4.3Å; F328-F339 HydrophobicContact CE1-CB 3.65Å; F328-F339 HydrophobicContact CE1-CD1 4.04Å; F328-F339 AromaticContact CE1-CG 3.99Å; F328-F339 HydrophobicContact CE1-CG 3.99Å; F328-F339 HydrophobicContact CZ-CD1 4.41Å; S335-F339 WeakPolarHBondContact O-CB 3.5Å; S335-F339 PolarHBondContact O-N 3.43Å; L336-F339 PolarHBondContact O-N 2.81Å; F339-F343 WeakPolarHBondContact O-CB 3.1Å; F339-F343 PolarHBondContact O-N 3.02Å; F339-L348 HydrophobicContact CD2-CD1 3.56Å; F339-L348 HydrophobicContact CD2-CD2 4.35Å; F339-L348 HydrophobicContact CE2-CD1 3.4Å; F339-L348 VanDerWaalsContact CE2-CD1 3.4Å; F339-L348 HydrophobicContact CE2-CD2 4.49Å; F339-L348 HydrophobicContact CZ-CD1 4.43Å |
| 340 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M254 F279 M283 L336 Q338 F343 L344 | M254-A340 HydrophobicContact CE-CB 3.83Å; F279-A340 HydrophobicContact CD1-CB 4.09Å; F279-A340 HydrophobicContact CD2-CB 3.87Å; F279-A340 HydrophobicContact CE1-CB 3.69Å; F279-A340 HydrophobicContact CE2-CB 3.49Å; F279-A340 VanDerWaalsContact CE2-CB 3.49Å; F279-A340 HydrophobicContact CG-CB 4.18Å; F279-A340 HydrophobicContact CZ-CB 3.39Å; M283-A340 HydrophobicContact CE-CB 3.36Å; L336-A340 WeakPolarHBondContact O-CB 3.45Å; L336-A340 PolarHBondContact O-N 3.39Å; Q338-A340 VanDerWaalsContact C-N 3.33Å; Q338-A340 PolarHBondContact O-N 2.95Å; A340-F343 PolarHBondContact O-N 2.86Å; A340-L344 WeakPolarHBondContact O-CG 3.24Å; A340-L344 PolarHBondContact O-N 3.47Å; A340-L344 VanDerWaalsContact O-N 3.1Å |
| 341 | Q | 98.2 | Very high | 97 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -41.9 | -178.9 | -170 | 62.6 | 58 | 0 | 0 | 112 | F279 S337 Q338 F343 L344 D345 | F279-Q341 HydrophobicContact CE1-CB 4.48Å; F279-Q341 HydrophobicContact CZ-CB 4.44Å; S337-Q341 WeakPolarHBondContact O-CB 3.43Å; S337-Q341 PolarHBondContact O-N 3.26Å; Q338-Q341 PolarHBondContact O-N 2.77Å; Q338-Q341 VanDerWaalsContact O-N 3.1Å; Q341-F343 VanDerWaalsContact C-N 3.28Å; Q341-F343 PolarHBondContact O-N 2.84Å; Q341-L344 PolarHBondContact O-N 2.9Å; Q341-D345 PolarHBondContact NE2-OD1 3.49Å; Q341-D345 VanDerWaalsContact O-CB 3.32Å; Q341-D345 WeakPolarHBondContact O-CB 3.32Å; Q341-D345 PolarHBondContact O-N 2.75Å |
| 342 | E | 98.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 176.7 | -73.9 | 170.3 | 176.8 | 0 | 0 | 111.8 | Q338 G346 K347 L348 | Q338-E342 HydrophobicContact CG-CG 4.28Å; Q338-E342 VanDerWaalsContact CG-OE1 3.26Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.4Å; Q338-E342 PolarHBondContact NE2-OE1 2.81Å; Q338-E342 WeakPolarHBondContact O-CB 3.46Å; Q338-E342 WeakPolarHBondContact O-CG 3.43Å; Q338-E342 PolarHBondContact O-N 2.86Å; E342-G346 PolarHBondContact O-N 2.81Å; E342-K347 HydrophobicContact CB-CB 4.36Å; E342-K347 WeakPolarHBondContact O-CB 3.44Å; E342-K347 PolarHBondContact O-N 2.79Å; E342-L348 HydrophobicContact CB-CD1 4.48Å; E342-L348 HydrophobicContact CB-CD2 3.79Å; E342-L348 HydrophobicContact CB-CG 3.95Å |
| 343 | F | 97.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -53.1 | 170.8 | 176.7 | -94.1 | 0 | 0 | 0 | 111.5 | T252 I314 F324 F339 A340 Q341 D345 G346 L348 | T252-F343 HydrophobicContact CG2-CD1 3.67Å; T252-F343 HydrophobicContact CG2-CE1 3.12Å; T252-F343 HydrophobicContact CG2-CZ 3.67Å; I314-F343 HydrophobicContact CB-CD2 4.49Å; I314-F343 HydrophobicContact CD1-CB 3.59Å; I314-F343 HydrophobicContact CD1-CD2 4.37Å; I314-F343 HydrophobicContact CD1-CG 3.94Å; I314-F343 HydrophobicContact CG2-CD1 4.27Å; I314-F343 HydrophobicContact CG2-CD2 3.65Å; I314-F343 HydrophobicContact CG2-CE1 4.41Å; I314-F343 HydrophobicContact CG2-CE2 3.76Å; I314-F343 HydrophobicContact CG2-CG 3.92Å; I314-F343 HydrophobicContact CG2-CZ 4.15Å; F324-F343 HydrophobicContact CD1-CD2 4.39Å; F324-F343 AromaticContact CD2-CD2 3.98Å; F324-F343 HydrophobicContact CD2-CD2 3.98Å; F324-F343 AromaticContact CD2-CE2 3.75Å; F324-F343 HydrophobicContact CD2-CE2 3.75Å; F324-F343 HydrophobicContact CE1-CD2 4.42Å; F324-F343 HydrophobicContact CE1-CE2 4.42Å; F324-F343 HydrophobicContact CE2-CD2 4.06Å; F324-F343 AromaticContact CE2-CE2 3.46Å; F324-F343 HydrophobicContact CE2-CE2 3.46Å; F324-F343 VanDerWaalsContact CE2-CE2 3.46Å; F324-F343 HydrophobicContact CG-CD2 4.17Å; F324-F343 HydrophobicContact CG-CE2 4.38Å; F324-F343 HydrophobicContact CZ-CD2 4.27Å; F324-F343 AromaticContact CZ-CE2 3.82Å; F324-F343 HydrophobicContact CZ-CE2 3.82Å; F339-F343 WeakPolarHBondContact O-CB 3.1Å; F339-F343 PolarHBondContact O-N 3.02Å; A340-F343 PolarHBondContact O-N 2.86Å; Q341-F343 VanDerWaalsContact C-N 3.28Å; Q341-F343 PolarHBondContact O-N 2.84Å; F343-D345 PolarHBondContact O-N 3.31Å; F343-G346 PolarHBondContact O-N 3.47Å; F343-L348 HydrophobicContact CB-CD1 3.68Å; F343-L348 HydrophobicContact CD2-CD1 4.39Å |
| 344 | L | 96 | Very high | 96.5 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -26.7 | -178.6 | -68.5 | 175.4 | 0 | 0 | 0 | 113 | F279 K282 A340 Q341 G346 | F279-L344 HydrophobicContact CD1-CD1 3.61Å; F279-L344 HydrophobicContact CE1-CD1 3.89Å; K282-L344 HydrophobicContact CB-CD1 4.44Å; K282-L344 HydrophobicContact CD-CD1 4.3Å; A340-L344 WeakPolarHBondContact O-CG 3.24Å; A340-L344 PolarHBondContact O-N 3.47Å; A340-L344 VanDerWaalsContact O-N 3.1Å; Q341-L344 PolarHBondContact O-N 2.9Å; L344-G346 VanDerWaalsContact C-N 3.28Å |
| 345 | D | 97 | Very high | 96.3 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.9 | 174.3 | -69.2 | -3.7 | 0 | 0 | 0 | 113.1 | Q341 F343 K347 | Q341-D345 PolarHBondContact NE2-OD1 3.49Å; Q341-D345 VanDerWaalsContact O-CB 3.32Å; Q341-D345 WeakPolarHBondContact O-CB 3.32Å; Q341-D345 PolarHBondContact O-N 2.75Å; F343-D345 PolarHBondContact O-N 3.31Å; D345-K347 VanDerWaalsContact C-N 3.32Å; D345-K347 HydrophobicContact CB-CD 3.84Å; D345-K347 HydrophobicContact CB-CG 3.95Å; D345-K347 PolarHBondContact O-N 3.36Å; D345-K347 IonicContact OD2-NZ 3.58Å; D345-K347 PolarHBondContact OD2-NZ 2.96Å |
| 346 | G | 94.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 68% | 0.68 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 24 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E342 F343 L344 | E342-G346 PolarHBondContact O-N 2.81Å; F343-G346 PolarHBondContact O-N 3.47Å; L344-G346 VanDerWaalsContact C-N 3.28Å |
| 347 | K | 96.9 | Very high | 95.9 | Very high | 143 Ų | 143 | 63.3 Ų | 63.3 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | trans | -89.5 | -16.6 | -175.5 | -68.6 | 171.1 | -179.4 | 156.5 | 0 | 113.9 | E342 D345 | E342-K347 HydrophobicContact CB-CB 4.36Å; E342-K347 WeakPolarHBondContact O-CB 3.44Å; E342-K347 PolarHBondContact O-N 2.79Å; D345-K347 VanDerWaalsContact C-N 3.32Å; D345-K347 HydrophobicContact CB-CD 3.84Å; D345-K347 HydrophobicContact CB-CG 3.95Å; D345-K347 PolarHBondContact O-N 3.36Å; D345-K347 IonicContact OD2-NZ 3.58Å; D345-K347 PolarHBondContact OD2-NZ 2.96Å | ||
| 348 | L | 95.9 | Very high | 95.7 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 144.4 | -177.7 | -58.6 | 179.6 | 0 | 0 | 0 | 111.4 | F324 F339 E342 F343 | F324-L348 HydrophobicContact CB-CD1 4.42Å; F324-L348 HydrophobicContact CD1-CB 3.63Å; F324-L348 HydrophobicContact CD1-CD1 4.36Å; F324-L348 HydrophobicContact CE1-CB 4.07Å; F339-L348 HydrophobicContact CD2-CD1 3.56Å; F339-L348 HydrophobicContact CD2-CD2 4.35Å; F339-L348 HydrophobicContact CE2-CD1 3.4Å; F339-L348 VanDerWaalsContact CE2-CD1 3.4Å; F339-L348 HydrophobicContact CE2-CD2 4.49Å; F339-L348 HydrophobicContact CZ-CD1 4.43Å; E342-L348 HydrophobicContact CB-CD1 4.48Å; E342-L348 HydrophobicContact CB-CD2 3.79Å; E342-L348 HydrophobicContact CB-CG 3.95Å; F343-L348 HydrophobicContact CB-CD1 3.68Å; F343-L348 HydrophobicContact CD2-CD1 4.39Å |
| 349 | K | 92.7 | Very high | 95.6 | Very high | 185 Ų | 185 | 67.2 Ų | 67.2 | 80% | 0.804 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -91.5 | 143.1 | 168.3 | -66.1 | -173.8 | 178.6 | -175.2 | 0 | 110.3 | F324 H351 | F324-K349 WeakPolarHBondContact CD1-O 3.43Å; K349-H351 PolarHBondContact O-N 2.92Å |
| 350 | P | 93.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 71.8 Ų | 71.8 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 136.4 | 170.3 | -25.5 | 35.2 | 0 | 0 | 0 | 111.1 | Q322 K323 F324 | Q322-P350 HydrophobicContact CG-CG 4.5Å; K323-P350 CarbonylContact O-C 3.54Å; K323-P350 WeakPolarHBondContact O-CA 3.45Å; F324-P350 HydrophobicContact CE1-CB 4.47Å; F324-P350 HydrophobicContact CE1-CG 4.08Å; F324-P350 HydrophobicContact CZ-CG 4.15Å |
| 351 | H | 94.7 | Very high | 95.3 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | trans | -88.7 | 112.2 | 168.8 | 178.5 | 56.8 | 0 | 0 | 0 | 108.4 | K323 K325 K349 | K323-H351 PolarHBondContact O-N 3.38Å; K325-H351 HydrophobicContact CB-CB 3.73Å; K349-H351 PolarHBondContact O-N 2.92Å | ||
| 352 | L | 94 | Very high | 95.1 | Very high | 59 Ų | 59 | 74 Ų | 74 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | trans | -92.7 | 133.5 | 176.4 | -58.5 | 174.7 | 0 | 0 | 0 | 110 | E428 E430 | L352-E428 HydrophobicContact CB-CB 4.09Å; L352-E428 HydrophobicContact CD2-CB 3.92Å; L352-E430 HydrophobicContact CD1-CB 3.92Å | ||
| 353 | L | 94 | Very high | 94.8 | Very high | 12 Ų | 12 | 78.7 Ų | 78.7 | 6% | 0.063 | 41% | 0.411 | C | S | . | . | trans | -68.9 | 143 | 174 | -61.8 | -176.6 | 0 | 0 | 0 | 111.6 | A371 N427 E428 | L353-A371 VanDerWaalsContact O-CB 3.31Å; L353-A371 WeakPolarHBondContact O-CB 3.48Å; L353-N427 CarbonylContact O-C 3.57Å; L353-N427 WeakPolarHBondContact O-CA 3.32Å; L353-E428 HydrophobicContact CB-CG 4.19Å; L353-E428 WeakPolarHBondContact CG-OE2 3.09Å; L353-E428 PolarHBondContact N-OE2 3.39Å; L353-E428 PolarHBondContact O-N 2.79Å | ||
| 354 | S | 95.2 | Very high | 94.5 | Very high | 50 Ų | 50 | 79 Ų | 79 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | trans | -143.7 | 128.8 | 164.7 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | S372 A426 | S354-S372 WeakPolarHBondContact OG-CB 3.12Å; S354-S372 PolarHBondContact OG-N 2.68Å; S354-S372 PolarHBondContact OG-OG 2.95Å; S354-S372 VanDerWaalsContact OG-OG 3.1Å; S354-A426 CarbonylContact C-O 3.56Å | ||
| 355 | Q | 93.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 76.8 Ų | 76.8 | 28% | 0.276 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -73 | 167.2 | 165.7 | 71.2 | -176.3 | 76.4 | 0 | 0 | 110.8 | V370 A426 N427 | Q355-V370 HydrophobicContact CG-CB 4.14Å; Q355-V370 HydrophobicContact CG-CG1 3.47Å; Q355-V370 VanDerWaalsContact CG-CG1 3.47Å; Q355-A426 HydrophobicContact CB-CB 4.24Å; Q355-A426 PolarHBondContact N-O 2.83Å; Q355-A426 VanDerWaalsContact N-O 3.16Å; Q355-N427 PolarHBondContact N-OD1 3.35Å; Q355-N427 PolarHBondContact OE1-ND2 2.91Å |
| 356 | D | 93.6 | Very high | 94.5 | Very high | 139 Ų | 139 | 73.9 Ų | 73.9 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 141.9 | 170.1 | -64.6 | -39 | 0 | 0 | 0 | 110.7 | P358 | D356-P358 VanDerWaalsContact O-CD 3.31Å; D356-P358 WeakPolarHBondContact O-CD 3.31Å |
| 357 | L | 95.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 73 Ų | 73 | 38% | 0.382 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 121.6 | 175.4 | -176.7 | 68 | 0 | 0 | 0 | 109.7 | W361 V370 M373 | L357-W361 HydrophobicContact CD1-CB 3.68Å; L357-W361 HydrophobicContact CD1-CD2 3.97Å; L357-W361 HydrophobicContact CD1-CE3 4.47Å; L357-W361 HydrophobicContact CD1-CG 3.59Å; L357-W361 HydrophobicContact CD2-CD2 4.39Å; L357-W361 HydrophobicContact CD2-CG 4.14Å; L357-W361 HydrophobicContact CG-CB 4.18Å; L357-W361 HydrophobicContact CG-CD2 4.49Å; L357-W361 HydrophobicContact CG-CG 3.87Å; L357-V370 HydrophobicContact CB-CG2 4.12Å; L357-V370 HydrophobicContact CD1-CG1 4.32Å; L357-V370 HydrophobicContact CD1-CG2 3.86Å; L357-M373 HydrophobicContact CD1-CG 4.2Å; L357-M373 HydrophobicContact CD1-SD 4.38Å |
| 358 | P | 94.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 67.5 Ų | 67.5 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.1 | 177.3 | -22.9 | 34.7 | 0 | 0 | 0 | 112.7 | D356 D360 W361 V368 | D356-P358 VanDerWaalsContact O-CD 3.31Å; D356-P358 WeakPolarHBondContact O-CD 3.31Å; P358-D360 WeakPolarHBondContact CB-OD1 3.33Å; P358-D360 PolarHBondContact O-N 3.38Å; P358-D360 VanDerWaalsContact O-N 3.12Å; P358-W361 HydrophobicContact CB-CB 4.46Å; P358-W361 VanDerWaalsContact O-CB 3.25Å; P358-W361 WeakPolarHBondContact O-CB 3.37Å; P358-W361 PolarHBondContact O-N 3.43Å; P358-W361 VanDerWaalsContact O-N 3.12Å; P358-V368 HydrophobicContact CG-CG1 4.19Å |
| 359 | D | 95.6 | Very high | 94.7 | Very high | 152 Ų | 152 | 65.6 Ų | 65.6 | 81% | 0.813 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.2 | 178.2 | -74.2 | -27.2 | 0 | 0 | 0 | 114.1 | K363 | D359-K363 WeakPolarHBondContact O-CE 3.15Å; D359-K363 PolarHBondContact O-NZ 2.82Å |
| 360 | D | 94.1 | Very high | 95 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 13.8 | -179.5 | 66.5 | -22.7 | 0 | 0 | 0 | 113.5 | P358 D362 K363 | P358-D360 WeakPolarHBondContact CB-OD1 3.33Å; P358-D360 PolarHBondContact O-N 3.38Å; P358-D360 VanDerWaalsContact O-N 3.12Å; D360-D362 PolarHBondContact O-N 3.26Å; D360-K363 HydrophobicContact CB-CB 4.35Å; D360-K363 HydrophobicContact CB-CD 3.76Å; D360-K363 HydrophobicContact CB-CG 4.23Å; D360-K363 PolarHBondContact O-N 3.09Å |
| 361 | W | 96.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -32 | -174.6 | 76.4 | -85 | 0 | 0 | 0 | 114.2 | L357 P358 K367 V368 L369 M373 Y377 | L357-W361 HydrophobicContact CD1-CB 3.68Å; L357-W361 HydrophobicContact CD1-CD2 3.97Å; L357-W361 HydrophobicContact CD1-CE3 4.47Å; L357-W361 HydrophobicContact CD1-CG 3.59Å; L357-W361 HydrophobicContact CD2-CD2 4.39Å; L357-W361 HydrophobicContact CD2-CG 4.14Å; L357-W361 HydrophobicContact CG-CB 4.18Å; L357-W361 HydrophobicContact CG-CD2 4.49Å; L357-W361 HydrophobicContact CG-CG 3.87Å; P358-W361 HydrophobicContact CB-CB 4.46Å; P358-W361 VanDerWaalsContact O-CB 3.25Å; P358-W361 WeakPolarHBondContact O-CB 3.37Å; P358-W361 PolarHBondContact O-N 3.43Å; P358-W361 VanDerWaalsContact O-N 3.12Å; W361-K367 CarbonylContact O-C 3.51Å; W361-K367 WeakPolarHBondContact O-CA 3.26Å; W361-V368 HydrophobicContact CB-CB 4.38Å; W361-V368 WeakPolarHBondContact CB-O 3.41Å; W361-V368 PolarHBondContact O-N 3.34Å; W361-L369 HydrophobicContact CE3-CD2 4.4Å; W361-L369 HydrophobicContact CZ3-CD2 4.35Å; W361-M373 HydrophobicContact CE3-SD 4.49Å; W361-M373 HydrophobicContact CZ3-SD 4.36Å; W361-Y377 HydrophobicContact CH2-CD2 4.15Å; W361-Y377 AromaticContact CH2-CE2 3.75Å; W361-Y377 HydrophobicContact CH2-CE2 3.75Å; W361-Y377 HydrophobicContact CZ3-CD2 4.09Å; W361-Y377 AromaticContact CZ3-CE2 3.65Å; W361-Y377 HydrophobicContact CZ3-CE2 3.65Å |
| 362 | D | 94.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 4.2 | -179 | 68.4 | -15.4 | 0 | 0 | 0 | 115.2 | D360 K367 | D360-D362 PolarHBondContact O-N 3.26Å; D362-K367 HydrophobicContact CB-CD 4.06Å; D362-K367 PolarHBondContact O-NZ 2.96Å |
| 363 | K | 91.8 | Very high | 95.1 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -31.2 | -177.4 | -66.8 | -178.7 | -169.8 | 154.2 | 0 | 112.7 | D359 D360 | D359-K363 WeakPolarHBondContact O-CE 3.15Å; D359-K363 PolarHBondContact O-NZ 2.82Å; D360-K363 HydrophobicContact CB-CB 4.35Å; D360-K363 HydrophobicContact CB-CD 3.76Å; D360-K363 HydrophobicContact CB-CG 4.23Å; D360-K363 PolarHBondContact O-N 3.09Å |
| 364 | G | 91.2 | Very high | 95.2 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -80.8 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | K367 | G364-K367 PolarHBondContact O-NZ 3.37Š|
| 365 | A | 95 | Very high | 95.2 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -67.5 | -29.3 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | G408 E409 K412 | A365-G408 VanDerWaalsContact CB-C 3.47Å; A365-E409 HydrophobicContact CB-CG 4.29Å; A365-E409 VanDerWaalsContact CB-OE1 3.25Å; A365-E409 WeakPolarHBondContact CB-OE1 3.38Å; A365-K412 HydrophobicContact CB-CB 3.99Å; A365-K412 HydrophobicContact CB-CD 3.9Å; A365-K412 HydrophobicContact CB-CG 3.88Å |
| 366 | V | 97.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.3 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 109 | I419 K421 | V366-I419 WeakPolarHBondContact CA-O 3.28Å; V366-I419 HydrophobicContact CG1-CG2 4.39Å; V366-I419 HydrophobicContact CG2-CG2 4.03Å; V366-K421 HydrophobicContact CG1-CB 4.24Å; V366-K421 HydrophobicContact CG1-CD 4.03Å; V366-K421 HydrophobicContact CG1-CG 3.89Å |
| 367 | K | 96.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 138.6 | 175.6 | -51 | -59 | 174.9 | -160.9 | 0 | 110.8 | W361 D362 G364 L369 I418 I419 A420 K421 | W361-K367 CarbonylContact O-C 3.51Å; W361-K367 WeakPolarHBondContact O-CA 3.26Å; D362-K367 HydrophobicContact CB-CD 4.06Å; D362-K367 PolarHBondContact O-NZ 2.96Å; G364-K367 PolarHBondContact O-NZ 3.37Å; K367-L369 HydrophobicContact CB-CD2 3.96Å; K367-I418 HydrophobicContact CG-CG2 3.82Å; K367-I419 PolarHBondContact N-O 2.94Å; K367-A420 HydrophobicContact CB-CB 4.08Å; K367-A420 CarbonylContact O-C 3.58Å; K367-A420 WeakPolarHBondContact O-CA 3.45Å; K367-K421 PolarHBondContact O-N 3.35Å |
| 368 | V | 98.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.3 | 173 | -175 | 0 | 0 | 0 | 0 | 108.1 | P358 W361 K421 | P358-V368 HydrophobicContact CG-CG1 4.19Å; W361-V368 HydrophobicContact CB-CB 4.38Å; W361-V368 WeakPolarHBondContact CB-O 3.41Å; W361-V368 PolarHBondContact O-N 3.34Å; V368-K421 WeakPolarHBondContact CA-O 3.33Å; V368-K421 HydrophobicContact CG2-CG 4.41Å |
| 369 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -98 | 156.4 | 179.7 | -51.4 | -168.8 | 0 | 0 | 0 | 110 | W361 K367 M373 F374 Y377 V387 A420 K421 M422 | W361-L369 HydrophobicContact CE3-CD2 4.4Å; W361-L369 HydrophobicContact CZ3-CD2 4.35Å; K367-L369 HydrophobicContact CB-CD2 3.96Å; L369-M373 HydrophobicContact CB-CE 3.74Å; L369-M373 HydrophobicContact CB-SD 4.49Å; L369-M373 HydrophobicContact CD1-CE 3.96Å; L369-M373 HydrophobicContact CD2-CE 3.61Å; L369-M373 HydrophobicContact CD2-SD 4.02Å; L369-M373 HydrophobicContact CG-CE 3.91Å; L369-F374 HydrophobicContact CB-CD2 4.26Å; L369-F374 HydrophobicContact CD1-CD2 3.81Å; L369-F374 HydrophobicContact CD1-CE2 3.92Å; L369-Y377 HydrophobicContact CD1-CD1 4.09Å; L369-Y377 HydrophobicContact CD1-CE1 4.44Å; L369-Y377 HydrophobicContact CD2-CD1 4.17Å; L369-Y377 HydrophobicContact CD2-CE1 4.16Å; L369-V387 HydrophobicContact CD1-CG2 4.39Å; L369-A420 HydrophobicContact CD1-CB 3.87Å; L369-A420 HydrophobicContact CD2-CB 4.32Å; L369-A420 HydrophobicContact CG-CB 3.9Å; L369-K421 PolarHBondContact N-O 2.8Å; L369-M422 HydrophobicContact CB-CB 4.44Å; L369-M422 WeakPolarHBondContact O-CG 3.49Å | ||
| 370 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -130.2 | 156.2 | 171.5 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | Q355 L357 S372 M373 F374 N427 | Q355-V370 HydrophobicContact CG-CB 4.14Å; Q355-V370 HydrophobicContact CG-CG1 3.47Å; Q355-V370 VanDerWaalsContact CG-CG1 3.47Å; L357-V370 HydrophobicContact CB-CG2 4.12Å; L357-V370 HydrophobicContact CD1-CG1 4.32Å; L357-V370 HydrophobicContact CD1-CG2 3.86Å; V370-S372 VanDerWaalsContact C-N 3.28Å; V370-S372 WeakPolarHBondContact CG2-OG 3.46Å; V370-S372 PolarHBondContact O-N 2.82Å; V370-M373 HydrophobicContact CG2-CG 3.67Å; V370-M373 PolarHBondContact O-N 2.84Å; V370-F374 PolarHBondContact O-N 3.06Å; V370-F374 VanDerWaalsContact O-N 3.12Å; V370-N427 VanDerWaalsContact CA-OD1 3.32Å; V370-N427 WeakPolarHBondContact CA-OD1 3.43Å; V370-N427 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 371 | A | 96.5 | Very high | 95 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57 | -41.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L353 M373 F374 N427 E428 L429 | L353-A371 VanDerWaalsContact O-CB 3.31Å; L353-A371 WeakPolarHBondContact O-CB 3.48Å; A371-M373 PolarHBondContact O-N 2.89Å; A371-M373 VanDerWaalsContact O-N 3.15Å; A371-F374 PolarHBondContact O-N 2.93Å; A371-N427 HydrophobicContact CB-CB 3.81Å; A371-N427 PolarHBondContact N-OD1 2.86Å; A371-E428 VanDerWaalsContact CB-O 3.32Å; A371-E428 WeakPolarHBondContact CB-O 3.27Å; A371-L429 HydrophobicContact CB-CD2 3.93Å |
| 372 | S | 94.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61 | -23.9 | -178.1 | 56.6 | 0 | 0 | 0 | 0 | 115.2 | S354 V370 | S354-S372 WeakPolarHBondContact OG-CB 3.12Å; S354-S372 PolarHBondContact OG-N 2.68Å; S354-S372 PolarHBondContact OG-OG 2.95Å; S354-S372 VanDerWaalsContact OG-OG 3.1Å; V370-S372 VanDerWaalsContact C-N 3.28Å; V370-S372 WeakPolarHBondContact CG2-OG 3.46Å; V370-S372 PolarHBondContact O-N 2.82Å |
| 373 | M | 94.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -107.6 | -15.1 | 177 | 63.7 | 112.2 | -85.5 | 0 | 0 | 113.8 | L357 W361 L369 V370 A371 N375 D376 Y377 | L357-M373 HydrophobicContact CD1-CG 4.2Å; L357-M373 HydrophobicContact CD1-SD 4.38Å; W361-M373 HydrophobicContact CE3-SD 4.49Å; W361-M373 HydrophobicContact CZ3-SD 4.36Å; L369-M373 HydrophobicContact CB-CE 3.74Å; L369-M373 HydrophobicContact CB-SD 4.49Å; L369-M373 HydrophobicContact CD1-CE 3.96Å; L369-M373 HydrophobicContact CD2-CE 3.61Å; L369-M373 HydrophobicContact CD2-SD 4.02Å; L369-M373 HydrophobicContact CG-CE 3.91Å; V370-M373 HydrophobicContact CG2-CG 3.67Å; V370-M373 PolarHBondContact O-N 2.84Å; A371-M373 PolarHBondContact O-N 2.89Å; A371-M373 VanDerWaalsContact O-N 3.15Å; M373-N375 PolarHBondContact O-N 3.22Å; M373-D376 PolarHBondContact O-N 3.47Å; M373-D376 VanDerWaalsContact O-N 3.15Å; M373-Y377 HydrophobicContact CE-CD1 4.23Å; M373-Y377 HydrophobicContact CE-CD2 4.24Å; M373-Y377 HydrophobicContact CE-CG 3.66Å; M373-Y377 WeakPolarHBondContact O-CB 3.34Å; M373-Y377 PolarHBondContact O-N 3.02Å; M373-Y377 HydrophobicContact SD-CD2 4.37Å; M373-Y377 HydrophobicContact SD-CG 4.37Å |
| 374 | F | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.1 | -58.1 | -166.1 | -173.4 | -96.7 | 0 | 0 | 0 | 113.7 | L369 V370 A371 D376 Y377 L378 V387 F389 M422 L429 V432 F443 | L369-F374 HydrophobicContact CB-CD2 4.26Å; L369-F374 HydrophobicContact CD1-CD2 3.81Å; L369-F374 HydrophobicContact CD1-CE2 3.92Å; V370-F374 PolarHBondContact O-N 3.06Å; V370-F374 VanDerWaalsContact O-N 3.12Å; A371-F374 PolarHBondContact O-N 2.93Å; F374-D376 VanDerWaalsContact C-N 3.34Å; F374-D376 PolarHBondContact O-N 3.36Å; F374-Y377 WeakPolarHBondContact O-CB 3.44Å; F374-Y377 PolarHBondContact O-N 2.93Å; F374-L378 HydrophobicContact CD1-CD1 4Å; F374-L378 HydrophobicContact CD1-CG 4.42Å; F374-L378 HydrophobicContact CE1-CD1 3.32Å; F374-L378 HydrophobicContact CE1-CG 4.06Å; F374-L378 HydrophobicContact CZ-CD1 3.66Å; F374-L378 HydrophobicContact CZ-CD2 4.45Å; F374-L378 HydrophobicContact CZ-CG 4.19Å; F374-L378 PolarHBondContact O-N 2.66Å; F374-V387 HydrophobicContact CE2-CG1 4.2Å; F374-V387 HydrophobicContact CE2-CG2 4.04Å; F374-V387 HydrophobicContact CZ-CG2 4.37Å; F374-F389 HydrophobicContact CE2-CE1 4.09Å; F374-F389 AromaticContact CE2-CZ 3.97Å; F374-F389 HydrophobicContact CE2-CZ 3.97Å; F374-F389 HydrophobicContact CZ-CE1 4.25Å; F374-F389 AromaticContact CZ-CZ 3.75Å; F374-F389 HydrophobicContact CZ-CZ 3.75Å; F374-M422 HydrophobicContact CD2-SD 3.99Å; F374-L429 HydrophobicContact CB-CD2 3.74Å; F374-L429 HydrophobicContact CD1-CD1 3.51Å; F374-L429 HydrophobicContact CD1-CD2 3.81Å; F374-L429 HydrophobicContact CD1-CG 4.31Å; F374-L429 HydrophobicContact CD2-CD1 4.18Å; F374-L429 HydrophobicContact CE1-CD1 3.53Å; F374-L429 HydrophobicContact CE2-CD1 4.21Å; F374-L429 HydrophobicContact CG-CD1 3.85Å; F374-L429 HydrophobicContact CG-CD2 3.84Å; F374-L429 HydrophobicContact CZ-CD1 3.91Å; F374-V432 HydrophobicContact CE1-CG2 4.46Å; F374-F443 HydrophobicContact CE1-CE1 4.38Å; F374-F443 HydrophobicContact CE1-CZ 4.21Å; F374-F443 HydrophobicContact CZ-CE1 4.29Å; F374-F443 AromaticContact CZ-CE2 3.87Å; F374-F443 HydrophobicContact CZ-CE2 3.87Å; F374-F443 AromaticContact CZ-CZ 3.74Å; F374-F443 HydrophobicContact CZ-CZ 3.74Å |
| 375 | N | 93.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | -177.5 | -74.3 | -21.1 | 0 | 0 | 0 | 112.8 | M373 Y377 K379 E431 | M373-N375 PolarHBondContact O-N 3.22Å; N375-Y377 VanDerWaalsContact C-N 3.33Å; N375-K379 WeakPolarHBondContact O-CB 3.24Å; N375-K379 VanDerWaalsContact O-CG 3.25Å; N375-K379 WeakPolarHBondContact O-CG 3.38Å; N375-K379 PolarHBondContact O-N 3.1Å; N375-K379 VanDerWaalsContact O-N 3.08Å; N375-E431 VanDerWaalsContact ND2-CD 3.27Å; N375-E431 PolarHBondContact ND2-OE1 3.35Å; N375-E431 VanDerWaalsContact ND2-OE1 3.07Å; N375-E431 PolarHBondContact ND2-OE2 2.92Å |
| 376 | D | 94.3 | Very high | 95.3 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.9 | -38 | 176.4 | -99.2 | 28.5 | 0 | 0 | 0 | 111.8 | M373 F374 K380 | M373-D376 PolarHBondContact O-N 3.47Å; M373-D376 VanDerWaalsContact O-N 3.15Å; F374-D376 VanDerWaalsContact C-N 3.34Å; F374-D376 PolarHBondContact O-N 3.36Å; D376-K380 WeakPolarHBondContact O-CB 3.26Å; D376-K380 WeakPolarHBondContact O-CD 3.32Å; D376-K380 VanDerWaalsContact O-CG 3.26Å; D376-K380 WeakPolarHBondContact O-CG 3.37Å; D376-K380 PolarHBondContact O-N 3.31Å; D376-K380 VanDerWaalsContact O-N 3.07Å; D376-K380 IonicContact OD2-NZ 3.15Å; D376-K380 PolarHBondContact OD2-NZ 3.21Å; D376-K380 VanDerWaalsContact OD2-NZ 3.15Å |
| 377 | Y | 95 | Very high | 95.4 | Very high | 44 Ų | 44 | 45 Ų | 45 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -46.5 | 177 | -172.5 | -96.4 | 0 | 0 | 0 | 111.6 | W361 L369 M373 F374 N375 K379 K380 A381 V385 I418 | W361-Y377 HydrophobicContact CH2-CD2 4.15Å; W361-Y377 AromaticContact CH2-CE2 3.75Å; W361-Y377 HydrophobicContact CH2-CE2 3.75Å; W361-Y377 HydrophobicContact CZ3-CD2 4.09Å; W361-Y377 AromaticContact CZ3-CE2 3.65Å; W361-Y377 HydrophobicContact CZ3-CE2 3.65Å; L369-Y377 HydrophobicContact CD1-CD1 4.09Å; L369-Y377 HydrophobicContact CD1-CE1 4.44Å; L369-Y377 HydrophobicContact CD2-CD1 4.17Å; L369-Y377 HydrophobicContact CD2-CE1 4.16Å; M373-Y377 HydrophobicContact CE-CD1 4.23Å; M373-Y377 HydrophobicContact CE-CD2 4.24Å; M373-Y377 HydrophobicContact CE-CG 3.66Å; M373-Y377 WeakPolarHBondContact O-CB 3.34Å; M373-Y377 PolarHBondContact O-N 3.02Å; M373-Y377 HydrophobicContact SD-CD2 4.37Å; M373-Y377 HydrophobicContact SD-CG 4.37Å; F374-Y377 WeakPolarHBondContact O-CB 3.44Å; F374-Y377 PolarHBondContact O-N 2.93Å; N375-Y377 VanDerWaalsContact C-N 3.33Å; Y377-K379 VanDerWaalsContact C-N 3.32Å; Y377-K379 PolarHBondContact O-N 2.58Å; Y377-K380 PolarHBondContact O-N 3.4Å; Y377-A381 VanDerWaalsContact O-CB 3.27Å; Y377-A381 WeakPolarHBondContact O-CB 3.49Å; Y377-A381 PolarHBondContact O-N 3.01Å; Y377-V385 HydrophobicContact CE1-CG1 4.42Å; Y377-V385 HydrophobicContact CE1-CG2 4.36Å; Y377-I418 HydrophobicContact CE1-CD1 4.45Å; Y377-I418 HydrophobicContact CE1-CG2 4.26Å; Y377-I418 WeakPolarHBondContact OH-CG2 3.47Å |
| 378 | L | 95.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 176.1 | -68.5 | -172.1 | 0 | 0 | 0 | 112.2 | F374 K380 A381 V385 F443 | F374-L378 HydrophobicContact CD1-CD1 4Å; F374-L378 HydrophobicContact CD1-CG 4.42Å; F374-L378 HydrophobicContact CE1-CD1 3.32Å; F374-L378 HydrophobicContact CE1-CG 4.06Å; F374-L378 HydrophobicContact CZ-CD1 3.66Å; F374-L378 HydrophobicContact CZ-CD2 4.45Å; F374-L378 HydrophobicContact CZ-CG 4.19Å; F374-L378 PolarHBondContact O-N 2.66Å; L378-K380 PolarHBondContact O-N 2.92Å; L378-A381 PolarHBondContact O-N 2.87Å; L378-V385 HydrophobicContact CD2-CB 3.75Å; L378-V385 HydrophobicContact CD2-CG1 4.18Å; L378-V385 HydrophobicContact CD2-CG2 3.75Å; L378-F443 HydrophobicContact CD1-CB 4.3Å; L378-F443 HydrophobicContact CD1-CD1 3.5Å; L378-F443 VanDerWaalsContact CD1-CD1 3.5Å; L378-F443 HydrophobicContact CD1-CD2 4.41Å; L378-F443 HydrophobicContact CD1-CE1 3.87Å; L378-F443 HydrophobicContact CD1-CG 3.81Å; L378-F443 HydrophobicContact CD1-CZ 4.48Å; L378-F443 HydrophobicContact CD2-CB 3.96Å; L378-F443 HydrophobicContact CD2-CD2 4.31Å; L378-F443 HydrophobicContact CD2-CG 4.02Å |
| 379 | K | 94 | Very high | 95.5 | Very high | 144 Ų | 144 | 41.7 Ų | 41.7 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.8 | -39.1 | 177.3 | -73.9 | 171.6 | -174.7 | 174.1 | 0 | 112.9 | N375 Y377 | N375-K379 WeakPolarHBondContact O-CB 3.24Å; N375-K379 VanDerWaalsContact O-CG 3.25Å; N375-K379 WeakPolarHBondContact O-CG 3.38Å; N375-K379 PolarHBondContact O-N 3.1Å; N375-K379 VanDerWaalsContact O-N 3.08Å; Y377-K379 VanDerWaalsContact C-N 3.32Å; Y377-K379 PolarHBondContact O-N 2.58Å |
| 380 | K | 93.6 | Very high | 95.5 | Very high | 151 Ų | 151 | 44 Ų | 44 | 66% | 0.657 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -86.2 | -16.5 | -178.1 | -68.7 | 168.4 | -173 | 158.6 | 0 | 112.9 | D376 Y377 L378 E382 | D376-K380 WeakPolarHBondContact O-CB 3.26Å; D376-K380 WeakPolarHBondContact O-CD 3.32Å; D376-K380 VanDerWaalsContact O-CG 3.26Å; D376-K380 WeakPolarHBondContact O-CG 3.37Å; D376-K380 PolarHBondContact O-N 3.31Å; D376-K380 VanDerWaalsContact O-N 3.07Å; D376-K380 IonicContact OD2-NZ 3.15Å; D376-K380 PolarHBondContact OD2-NZ 3.21Å; D376-K380 VanDerWaalsContact OD2-NZ 3.15Å; Y377-K380 PolarHBondContact O-N 3.4Å; L378-K380 PolarHBondContact O-N 2.92Å; K380-E382 PolarHBondContact O-N 2.92Å |
| 381 | A | 92 | Very high | 95.2 | Very high | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | trans | -63 | 120.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y377 L378 K383 V385 I418 | Y377-A381 VanDerWaalsContact O-CB 3.27Å; Y377-A381 WeakPolarHBondContact O-CB 3.49Å; Y377-A381 PolarHBondContact O-N 3.01Å; L378-A381 PolarHBondContact O-N 2.87Å; A381-K383 WeakPolarHBondContact CB-O 3.32Å; A381-K383 PolarHBondContact O-N 3.24Å; A381-V385 HydrophobicContact CB-CG2 3.74Å; A381-I418 HydrophobicContact CB-CD1 4.14Å | ||
| 382 | E | 91.2 | Very high | 95 | Very high | 161 Ų | 161 | 46.1 Ų | 46.1 | 75% | 0.752 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -77 | -3 | 177.9 | -63.4 | -170.3 | 161.9 | 0 | 0 | 113.5 | K380 K445 | K380-E382 PolarHBondContact O-N 2.92Å; E382-K445 VanDerWaalsContact O-CD 3.27Å; E382-K445 WeakPolarHBondContact O-CD 3.34Å; E382-K445 VanDerWaalsContact O-CE 3.28Å; E382-K445 WeakPolarHBondContact O-CE 3.48Å; E382-K445 PolarHBondContact O-NZ 3.4Å |
| 383 | K | 93 | Very high | 94.6 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -133.1 | 158.9 | -177.4 | -59.7 | 176.5 | -174.1 | 174.2 | 0 | 109.4 | A381 G414 K415 I418 | A381-K383 WeakPolarHBondContact CB-O 3.32Å; A381-K383 PolarHBondContact O-N 3.24Å; K383-G414 PolarHBondContact NZ-O 2.65Å; K383-G414 VanDerWaalsContact NZ-O 3.12Å; K383-K415 WeakPolarHBondContact CD-O 3.44Å; K383-K415 WeakPolarHBondContact CE-O 3.46Å; K383-I418 HydrophobicContact CB-CD1 4.35Å; K383-I418 HydrophobicContact CB-CG1 4.25Å; K383-I418 HydrophobicContact CD-CG1 4.3Å |
| 384 | P | 96.2 | Very high | 94.5 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | trans | -54.1 | 152.1 | 164.6 | -22.6 | 32.8 | 0 | 0 | 0 | 112.3 | K416 V417 I418 Y442 F443 | P384-K416 WeakPolarHBondContact CD-O 3.44Å; P384-V417 HydrophobicContact CB-CG2 4.29Å; P384-V417 CarbonylContact O-C 3.56Å; P384-V417 WeakPolarHBondContact O-CA 3.17Å; P384-V417 WeakPolarHBondContact O-CG2 3.45Å; P384-I418 PolarHBondContact O-N 3.46Å; P384-Y442 HydrophobicContact CB-CE1 4Å; P384-Y442 HydrophobicContact CB-CE2 3.9Å; P384-Y442 VanDerWaalsContact CB-CZ 3.43Å; P384-Y442 WeakPolarHBondContact CB-OH 3.32Å; P384-Y442 VanDerWaalsContact CG-OH 3.23Å; P384-Y442 WeakPolarHBondContact CG-OH 3.35Å; P384-F443 CarbonylContact C-O 3.55Å; P384-F443 WeakPolarHBondContact CA-O 3.29Å; P384-F443 WeakPolarHBondContact CB-O 3.35Å | ||
| 385 | V | 97.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.4 | 179.2 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | Y377 L378 A381 V387 I418 A420 F443 | Y377-V385 HydrophobicContact CE1-CG1 4.42Å; Y377-V385 HydrophobicContact CE1-CG2 4.36Å; L378-V385 HydrophobicContact CD2-CB 3.75Å; L378-V385 HydrophobicContact CD2-CG1 4.18Å; L378-V385 HydrophobicContact CD2-CG2 3.75Å; A381-V385 HydrophobicContact CB-CG2 3.74Å; V385-V387 HydrophobicContact CG1-CG2 3.72Å; V385-I418 CarbonylContact C-O 3.56Å; V385-I418 WeakPolarHBondContact CA-O 3.41Å; V385-I418 HydrophobicContact CG1-CB 4.27Å; V385-I418 HydrophobicContact CG1-CG2 4.25Å; V385-I418 HydrophobicContact CG2-CB 4.26Å; V385-I418 HydrophobicContact CG2-CD1 4.33Å; V385-A420 HydrophobicContact CG1-CB 4.05Å; V385-F443 PolarHBondContact N-O 3.35Å; V385-F443 PolarHBondContact O-N 2.85Å |
| 386 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.6 | 170.2 | -174.6 | 77.2 | 0 | 0 | 0 | 108.4 | W404 L407 V417 I418 I419 A420 I440 Y442 F465 V466 | L386-W404 HydrophobicContact CD2-CH2 3.42Å; L386-W404 VanDerWaalsContact CD2-CH2 3.42Å; L386-W404 HydrophobicContact CD2-CZ2 3.95Å; L386-W404 HydrophobicContact CD2-CZ3 4.13Å; L386-W404 HydrophobicContact CG-CH2 3.68Å; L386-W404 HydrophobicContact CG-CZ2 4.02Å; L386-L407 HydrophobicContact CD2-CD2 3.69Å; L386-V417 HydrophobicContact CB-CG2 4.03Å; L386-I418 PolarHBondContact N-O 3.48Å; L386-I419 HydrophobicContact CB-CD1 4Å; L386-I419 HydrophobicContact CD2-CD1 4.01Å; L386-A420 PolarHBondContact O-N 2.88Å; L386-I440 HydrophobicContact CD1-CG2 3.79Å; L386-I440 HydrophobicContact CG-CG2 4.27Å; L386-Y442 HydrophobicContact CD1-CD2 4.08Å; L386-F465 HydrophobicContact CD1-CD1 3.86Å; L386-F465 HydrophobicContact CD1-CE1 3.74Å; L386-V466 HydrophobicContact CD2-CG2 3.76Å |
| 387 | V | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.2 | -174.6 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | L369 F374 V385 F389 A420 M422 I440 M441 F443 | L369-V387 HydrophobicContact CD1-CG2 4.39Å; F374-V387 HydrophobicContact CE2-CG1 4.2Å; F374-V387 HydrophobicContact CE2-CG2 4.04Å; F374-V387 HydrophobicContact CZ-CG2 4.37Å; V385-V387 HydrophobicContact CG1-CG2 3.72Å; V387-F389 HydrophobicContact CB-CE2 4.14Å; V387-F389 HydrophobicContact CB-CZ 4.2Å; V387-F389 HydrophobicContact CG1-CD1 4.3Å; V387-F389 HydrophobicContact CG1-CD2 4.38Å; V387-F389 HydrophobicContact CG1-CE1 3.94Å; V387-F389 HydrophobicContact CG1-CE2 4.05Å; V387-F389 HydrophobicContact CG1-CZ 3.83Å; V387-A420 WeakPolarHBondContact CA-O 3.48Å; V387-A420 HydrophobicContact CG2-CB 4.3Å; V387-M422 HydrophobicContact CG1-CB 4.42Å; V387-I440 WeakPolarHBondContact O-CA 3.28Å; V387-M441 PolarHBondContact N-O 2.84Å; V387-M441 PolarHBondContact O-N 3.45Å; V387-F443 HydrophobicContact CB-CE2 4.11Å; V387-F443 HydrophobicContact CG2-CD2 3.83Å; V387-F443 HydrophobicContact CG2-CE2 3.8Å |
| 388 | E | 98.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.023 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 117.5 | 162.5 | -179.3 | -167.1 | -175.7 | 0 | 0 | 109.6 | L400 W404 A420 K421 M422 P438 | E388-L400 HydrophobicContact CG-CD2 4.12Å; E388-L400 WeakPolarHBondContact OE1-CD2 3.35Å; E388-W404 HydrophobicContact CB-CD2 3.98Å; E388-W404 HydrophobicContact CB-CE3 4.4Å; E388-W404 HydrophobicContact CB-CH2 4Å; E388-W404 HydrophobicContact CB-CZ2 3.56Å; E388-W404 HydrophobicContact CB-CZ3 4.4Å; E388-A420 PolarHBondContact N-O 2.95Å; E388-K421 HydrophobicContact CB-CB 4.26Å; E388-K421 CarbonylContact O-C 3.59Å; E388-K421 VanDerWaalsContact O-CA 3.24Å; E388-K421 WeakPolarHBondContact O-CA 3.28Å; E388-M422 PolarHBondContact O-N 2.86Å; E388-P438 HydrophobicContact CG-CB 4.22Å |
| 389 | F | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 109.5 | 166.6 | -60.6 | -77.8 | 0 | 0 | 0 | 109 | F374 V387 M422 A424 L429 V432 I434 P438 T439 M441 F443 | F374-F389 HydrophobicContact CE2-CE1 4.09Å; F374-F389 AromaticContact CE2-CZ 3.97Å; F374-F389 HydrophobicContact CE2-CZ 3.97Å; F374-F389 HydrophobicContact CZ-CE1 4.25Å; F374-F389 AromaticContact CZ-CZ 3.75Å; F374-F389 HydrophobicContact CZ-CZ 3.75Å; V387-F389 HydrophobicContact CB-CE2 4.14Å; V387-F389 HydrophobicContact CB-CZ 4.2Å; V387-F389 HydrophobicContact CG1-CD1 4.3Å; V387-F389 HydrophobicContact CG1-CD2 4.38Å; V387-F389 HydrophobicContact CG1-CE1 3.94Å; V387-F389 HydrophobicContact CG1-CE2 4.05Å; V387-F389 HydrophobicContact CG1-CZ 3.83Å; F389-M422 WeakPolarHBondContact CA-O 3.3Å; F389-M422 HydrophobicContact CD1-CB 4.06Å; F389-M422 HydrophobicContact CD1-CE 3.54Å; F389-M422 HydrophobicContact CD1-SD 4.38Å; F389-M422 HydrophobicContact CE1-CB 4.27Å; F389-M422 HydrophobicContact CE1-CE 3.43Å; F389-M422 VanDerWaalsContact CE1-CE 3.43Å; F389-M422 HydrophobicContact CE1-SD 4Å; F389-A424 HydrophobicContact CB-CB 4Å; F389-A424 HydrophobicContact CD1-CB 4.38Å; F389-L429 HydrophobicContact CE1-CD1 3.72Å; F389-L429 HydrophobicContact CZ-CD1 4.06Å; F389-V432 HydrophobicContact CE2-CG1 3.98Å; F389-V432 HydrophobicContact CZ-CG1 3.94Å; F389-I434 HydrophobicContact CB-CD1 3.77Å; F389-I434 HydrophobicContact CB-CG1 4.04Å; F389-I434 HydrophobicContact CB-CG2 4.3Å; F389-I434 HydrophobicContact CD1-CD1 4.15Å; F389-I434 HydrophobicContact CD1-CG1 4.26Å; F389-I434 HydrophobicContact CD2-CD1 3.54Å; F389-I434 HydrophobicContact CD2-CG1 4.48Å; F389-I434 HydrophobicContact CE2-CD1 4.11Å; F389-I434 HydrophobicContact CG-CD1 3.54Å; F389-I434 HydrophobicContact CG-CG1 4.01Å; F389-P438 WeakPolarHBondContact O-CA 3.42Å; F389-T439 WeakPolarHBondContact CB-O 3.47Å; F389-T439 HydrophobicContact CD2-CG2 4.31Å; F389-T439 PolarHBondContact N-O 3.42Å; F389-T439 PolarHBondContact O-N 2.93Å; F389-M441 HydrophobicContact CD2-CG 4.37Å; F389-M441 HydrophobicContact CD2-SD 4.37Å; F389-M441 HydrophobicContact CE2-CB 4.05Å; F389-M441 HydrophobicContact CE2-CG 4.03Å; F389-M441 HydrophobicContact CE2-SD 3.83Å; F389-F443 HydrophobicContact CE2-CE2 4.17Å; F389-F443 HydrophobicContact CE2-CZ 4.25Å; F389-F443 HydrophobicContact CZ-CE2 4.21Å; F389-F443 HydrophobicContact CZ-CZ 4.17Å |
| 390 | Y | 97.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 166.8 | -172.2 | 73.2 | -88.2 | 0 | 0 | 0 | 112.5 | P392 K421 M422 D423 A424 | Y390-P392 HydrophobicContact CE2-CG 4.24Å; Y390-K421 HydrophobicContact CD1-CB 4.11Å; Y390-K421 HydrophobicContact CE1-CB 4.01Å; Y390-K421 HydrophobicContact CE1-CD 4.09Å; Y390-K421 HydrophobicContact CE1-CG 4Å; Y390-M422 WeakPolarHBondContact CD1-O 3.38Å; Y390-M422 PolarHBondContact N-O 3.17Å; Y390-D423 HydrophobicContact CE1-CB 4.24Å; Y390-D423 HydrophobicContact CE2-CB 4.05Å; Y390-A424 PolarHBondContact O-N 2.95Å |
| 391 | A | 92.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -122.2 | 132.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W393 C394 T425 F437 | A391-W393 HydrophobicContact CB-CD2 4.19Å; A391-W393 HydrophobicContact CB-CH2 4.35Å; A391-W393 HydrophobicContact CB-CZ2 3.91Å; A391-W393 PolarHBondContact O-N 3.44Å; A391-W393 VanDerWaalsContact O-N 3.1Å; A391-C394 HydrophobicContact CB-CB 4.06Å; A391-C394 WeakPolarHBondContact O-CB 3.28Å; A391-C394 PolarHBondContact O-N 3.06Å; A391-T425 HydrophobicContact CB-CG2 3.44Å; A391-T425 VanDerWaalsContact CB-CG2 3.44Å; A391-F437 HydrophobicContact CB-CB 4.14Å; A391-F437 HydrophobicContact CB-CD1 3.99Å; A391-F437 HydrophobicContact CB-CD2 3.46Å; A391-F437 VanDerWaalsContact CB-CD2 3.46Å; A391-F437 HydrophobicContact CB-CE1 4.26Å; A391-F437 HydrophobicContact CB-CE2 3.76Å; A391-F437 HydrophobicContact CB-CG 3.59Å; A391-F437 HydrophobicContact CB-CZ 4.14Å | ||
| 392 | P | 91.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 53 Ų | 53 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28 | -176.3 | -27.2 | 34.3 | 0 | 0 | 0 | 114.6 | Y390 K398 D423 | Y390-P392 HydrophobicContact CE2-CG 4.24Å; P392-K398 WeakPolarHBondContact O-CE 3.37Å; P392-D423 WeakPolarHBondContact CD-OD1 3.32Å; P392-D423 WeakPolarHBondContact CD-OD2 3.23Å; P392-D423 WeakPolarHBondContact CG-OD2 3.43Å |
| 393 | W | 86 | Confident | 95.2 | Very high | 179 Ų | 179 | 47.5 Ų | 47.5 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.6 | 179.6 | 49.4 | -100.5 | 0 | 0 | 0 | 113.5 | A391 T425 F437 | A391-W393 HydrophobicContact CB-CD2 4.19Å; A391-W393 HydrophobicContact CB-CH2 4.35Å; A391-W393 HydrophobicContact CB-CZ2 3.91Å; A391-W393 PolarHBondContact O-N 3.44Å; A391-W393 VanDerWaalsContact O-N 3.1Å; W393-T425 HydrophobicContact CZ2-CG2 4.3Å; W393-F437 AromaticContact CH2-CD2 3.97Å; W393-F437 HydrophobicContact CH2-CD2 3.97Å; W393-F437 HydrophobicContact CH2-CE2 4.08Å; W393-F437 HydrophobicContact CZ2-CD2 4.28Å; W393-F437 HydrophobicContact CZ2-CE2 4.04Å |
| 394 | C | 92.5 | Very high | 95.4 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | trans | -80.1 | 124.5 | -179.7 | 176.2 | 0 | 0 | 0 | 0 | 112 | A391 H396 C397 K398 F437 | A391-C394 HydrophobicContact CB-CB 4.06Å; A391-C394 WeakPolarHBondContact O-CB 3.28Å; A391-C394 PolarHBondContact O-N 3.06Å; C394-H396 PolarHBondContact O-N 3.33Å; C394-H396 PolarHBondContact SG-N 3.35Å; C394-C397 HydrophobicContact CB-CB 3.91Å; C394-C397 VanDerWaalsContact CB-SG 3.51Å; C394-C397 PolarHBondContact O-N 2.95Å; C394-K398 WeakPolarHBondContact O-CG 3.38Å; C394-K398 PolarHBondContact O-N 3.01Å; C394-K398 VanDerWaalsContact O-N 3.12Å; C394-F437 HydrophobicContact CB-CB 4.06Å; C394-F437 PolarHBondContact SG-O 3.16Å; C394-F437 VanDerWaalsContact SG-O 3.33Å | ||
| 395 | G | 90.2 | Very high | 95.5 | Very high | 43 Ų | 43 | 47 Ų | 47 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K398 Q399 | G395-K398 PolarHBondContact O-N 3.31Å; G395-Q399 WeakPolarHBondContact O-CG 3.31Å; G395-Q399 PolarHBondContact O-N 3.46Å |
| 396 | H | 91.2 | Very high | 95.5 | Very high | 119 Ų | 119 | 53.2 Ų | 53.2 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | 177.5 | -62 | 160.6 | 0 | 0 | 0 | 112 | C394 K398 Q399 L400 | C394-H396 PolarHBondContact O-N 3.33Å; C394-H396 PolarHBondContact SG-N 3.35Å; H396-K398 PolarHBondContact O-N 2.85Å; H396-Q399 PolarHBondContact O-N 2.96Å; H396-L400 WeakPolarHBondContact O-CB 3.4Å; H396-L400 PolarHBondContact O-N 3.14Å |
| 397 | C | 96.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | C394 Q399 L400 A401 | C394-C397 HydrophobicContact CB-CB 3.91Å; C394-C397 VanDerWaalsContact CB-SG 3.51Å; C394-C397 PolarHBondContact O-N 2.95Å; C397-Q399 VanDerWaalsContact C-N 3.3Å; C397-Q399 PolarHBondContact O-N 3.27Å; C397-L400 PolarHBondContact O-N 3.34Å; C397-A401 PolarHBondContact O-N 2.86Å |
| 398 | K | 95.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 53.2 Ų | 53.2 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.9 | -36.6 | 176.8 | -69.7 | 178.3 | -175.2 | -179.5 | 0 | 112.8 | P392 C394 G395 H396 P402 | P392-K398 WeakPolarHBondContact O-CE 3.37Å; C394-K398 WeakPolarHBondContact O-CG 3.38Å; C394-K398 PolarHBondContact O-N 3.01Å; C394-K398 VanDerWaalsContact O-N 3.12Å; G395-K398 PolarHBondContact O-N 3.31Å; H396-K398 PolarHBondContact O-N 2.85Å; K398-P402 WeakPolarHBondContact O-CD 3.32Å |
| 399 | Q | 95.3 | Very high | 95.2 | Very high | 141 Ų | 141 | 58 Ų | 58 | 66% | 0.659 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.4 | -34.7 | 176 | -72.1 | 175.1 | -2.7 | 0 | 0 | 112.5 | G395 H396 C397 P402 | G395-Q399 WeakPolarHBondContact O-CG 3.31Å; G395-Q399 PolarHBondContact O-N 3.46Å; H396-Q399 PolarHBondContact O-N 2.96Å; C397-Q399 VanDerWaalsContact C-N 3.3Å; C397-Q399 PolarHBondContact O-N 3.27Å; Q399-P402 WeakPolarHBondContact O-CD 3.45Å |
| 400 | L | 97.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.6 | -33.3 | 177.2 | 179 | 58.6 | 0 | 0 | 0 | 112.1 | E388 H396 C397 I403 W404 P438 I440 H457 L462 | E388-L400 HydrophobicContact CG-CD2 4.12Å; E388-L400 WeakPolarHBondContact OE1-CD2 3.35Å; H396-L400 WeakPolarHBondContact O-CB 3.4Å; H396-L400 PolarHBondContact O-N 3.14Å; C397-L400 PolarHBondContact O-N 3.34Å; L400-I403 HydrophobicContact CD1-CB 4.25Å; L400-I403 HydrophobicContact CD1-CG2 4.36Å; L400-I403 CarbonylContact O-C 3.55Å; L400-I403 WeakPolarHBondContact O-CA 3.46Å; L400-I403 WeakPolarHBondContact O-CB 2.73Å; L400-I403 PolarHBondContact O-N 2.89Å; L400-W404 HydrophobicContact CD1-CE3 4.1Å; L400-W404 HydrophobicContact CD2-CE3 4.2Å; L400-W404 HydrophobicContact CG-CE3 4.23Å; L400-W404 PolarHBondContact O-N 2.87Å; L400-P438 HydrophobicContact CD2-CB 3.95Å; L400-P438 HydrophobicContact CD2-CG 3.84Å; L400-I440 HydrophobicContact CD2-CD1 3.86Å; L400-I440 HydrophobicContact CD2-CG1 4.41Å; L400-H457 HydrophobicContact CD1-CB 4.13Å; L400-L462 HydrophobicContact CD1-CD1 4.03Å |
| 401 | A | 97.5 | Very high | 94.9 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -49.8 | -47.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C397 I403 W404 D405 | C397-A401 PolarHBondContact O-N 2.86Å; A401-I403 VanDerWaalsContact C-N 3.28Å; A401-I403 PolarHBondContact O-N 3.49Å; A401-W404 WeakPolarHBondContact O-CB 3.41Å; A401-W404 PolarHBondContact O-N 2.85Å; A401-D405 PolarHBondContact O-N 3.32Å |
| 402 | P | 97.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -28 | 176.8 | -20.4 | 33.1 | 0 | 0 | 0 | 114.1 | K398 Q399 K406 | K398-P402 WeakPolarHBondContact O-CD 3.32Å; Q399-P402 WeakPolarHBondContact O-CD 3.45Å; P402-K406 WeakPolarHBondContact O-CG 3.39Å; P402-K406 PolarHBondContact O-N 2.91Å |
| 403 | I | 98.4 | Very high | 94.1 | Very high | 45 Ų | 45 | 71 Ų | 71 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.1 | -40.4 | 176 | -62.5 | 174.1 | 0 | 0 | 0 | 109.3 | L400 A401 K406 L407 H457 L459 L462 | L400-I403 HydrophobicContact CD1-CB 4.25Å; L400-I403 HydrophobicContact CD1-CG2 4.36Å; L400-I403 CarbonylContact O-C 3.55Å; L400-I403 WeakPolarHBondContact O-CA 3.46Å; L400-I403 WeakPolarHBondContact O-CB 2.73Å; L400-I403 PolarHBondContact O-N 2.89Å; A401-I403 VanDerWaalsContact C-N 3.28Å; A401-I403 PolarHBondContact O-N 3.49Å; I403-K406 WeakPolarHBondContact O-CB 3.28Å; I403-K406 PolarHBondContact O-N 3.44Å; I403-L407 PolarHBondContact O-N 2.93Å; I403-H457 WeakPolarHBondContact CD1-O 3.47Å; I403-L459 HydrophobicContact CG2-CB 4.06Å; I403-L462 HydrophobicContact CG2-CD1 3.98Å |
| 404 | W | 98.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 176 | -154 | -106 | 0 | 0 | 0 | 112.1 | L386 E388 L400 A401 K406 L407 G408 I419 A420 I440 L462 | L386-W404 HydrophobicContact CD2-CH2 3.42Å; L386-W404 VanDerWaalsContact CD2-CH2 3.42Å; L386-W404 HydrophobicContact CD2-CZ2 3.95Å; L386-W404 HydrophobicContact CD2-CZ3 4.13Å; L386-W404 HydrophobicContact CG-CH2 3.68Å; L386-W404 HydrophobicContact CG-CZ2 4.02Å; E388-W404 HydrophobicContact CB-CD2 3.98Å; E388-W404 HydrophobicContact CB-CE3 4.4Å; E388-W404 HydrophobicContact CB-CH2 4Å; E388-W404 HydrophobicContact CB-CZ2 3.56Å; E388-W404 HydrophobicContact CB-CZ3 4.4Å; L400-W404 HydrophobicContact CD1-CE3 4.1Å; L400-W404 HydrophobicContact CD2-CE3 4.2Å; L400-W404 HydrophobicContact CG-CE3 4.23Å; L400-W404 PolarHBondContact O-N 2.87Å; A401-W404 WeakPolarHBondContact O-CB 3.41Å; A401-W404 PolarHBondContact O-N 2.85Å; W404-K406 PolarHBondContact O-N 3.17Å; W404-L407 HydrophobicContact CD2-CD2 4.46Å; W404-L407 HydrophobicContact CE3-CD2 4.09Å; W404-L407 HydrophobicContact CH2-CD2 4.36Å; W404-L407 HydrophobicContact CZ3-CD2 4.05Å; W404-L407 WeakPolarHBondContact O-CB 3.13Å; W404-L407 PolarHBondContact O-N 2.93Å; W404-G408 PolarHBondContact O-N 3.35Å; W404-I419 HydrophobicContact CD2-CG2 4.48Å; W404-I419 HydrophobicContact CZ2-CG2 4.16Å; W404-A420 PolarHBondContact NE1-O 2.87Å; W404-I440 HydrophobicContact CH2-CB 4.5Å; W404-I440 HydrophobicContact CH2-CD1 4.37Å; W404-I440 HydrophobicContact CH2-CG1 4.02Å; W404-I440 HydrophobicContact CH2-CG2 3.74Å; W404-I440 HydrophobicContact CZ3-CD1 3.82Å; W404-I440 HydrophobicContact CZ3-CG1 3.94Å; W404-I440 HydrophobicContact CZ3-CG2 4.19Å; W404-L462 HydrophobicContact CE3-CD1 4.02Å; W404-L462 HydrophobicContact CZ3-CD1 4.01Å; W404-L462 HydrophobicContact CZ3-CD2 4.04Å |
| 405 | D | 97.5 | Very high | 92 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.2 | -69.9 | -24.9 | 0 | 0 | 0 | 111.6 | A401 L407 G408 E409 | A401-D405 PolarHBondContact O-N 3.32Å; D405-L407 VanDerWaalsContact C-N 3.35Å; D405-G408 PolarHBondContact O-N 3.43Å; D405-E409 PolarHBondContact O-N 3.46Å |
| 406 | K | 97.3 | Very high | 91.7 | Very high | 132 Ų | 132 | 75.6 Ų | 75.6 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64 | -38.3 | 173.7 | -73.4 | 173.6 | -177.3 | 178.2 | 0 | 112.4 | P402 I403 W404 E409 H410 L459 | P402-K406 WeakPolarHBondContact O-CG 3.39Å; P402-K406 PolarHBondContact O-N 2.91Å; I403-K406 WeakPolarHBondContact O-CB 3.28Å; I403-K406 PolarHBondContact O-N 3.44Å; W404-K406 PolarHBondContact O-N 3.17Å; K406-E409 PolarHBondContact O-N 3.23Å; K406-H410 WeakPolarHBondContact O-CB 3.42Å; K406-H410 PolarHBondContact O-N 3.22Å; K406-L459 HydrophobicContact CB-CD1 4.21Å; K406-L459 HydrophobicContact CB-CD2 4.16Å; K406-L459 HydrophobicContact CD-CD2 4.49Å |
| 407 | L | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.3 | -172.9 | 71.7 | 0 | 0 | 0 | 110.7 | L386 I403 W404 D405 H410 F411 I419 L459 L462 I463 | L386-L407 HydrophobicContact CD2-CD2 3.69Å; I403-L407 PolarHBondContact O-N 2.93Å; W404-L407 HydrophobicContact CD2-CD2 4.46Å; W404-L407 HydrophobicContact CE3-CD2 4.09Å; W404-L407 HydrophobicContact CH2-CD2 4.36Å; W404-L407 HydrophobicContact CZ3-CD2 4.05Å; W404-L407 WeakPolarHBondContact O-CB 3.13Å; W404-L407 PolarHBondContact O-N 2.93Å; D405-L407 VanDerWaalsContact C-N 3.35Å; L407-H410 WeakPolarHBondContact O-CB 3.49Å; L407-H410 PolarHBondContact O-N 3.35Å; L407-F411 HydrophobicContact CD1-CD2 3.95Å; L407-F411 HydrophobicContact CD1-CE2 3.62Å; L407-F411 HydrophobicContact CG-CD2 4.17Å; L407-F411 HydrophobicContact CG-CE2 4.3Å; L407-F411 WeakPolarHBondContact O-CD2 3.45Å; L407-F411 PolarHBondContact O-N 3.09Å; L407-F411 VanDerWaalsContact O-N 3.1Å; L407-I419 HydrophobicContact CD2-CD1 4.05Å; L407-I419 HydrophobicContact CD2-CG2 4.44Å; L407-I419 HydrophobicContact CG-CD1 4.08Å; L407-I419 HydrophobicContact CG-CG1 4.35Å; L407-L459 HydrophobicContact CB-CD1 3.94Å; L407-L459 HydrophobicContact CD1-CD1 3.94Å; L407-L462 HydrophobicContact CD1-CB 3.98Å; L407-L462 HydrophobicContact CD2-CB 3.92Å; L407-L462 HydrophobicContact CD2-CD1 4.18Å; L407-I463 HydrophobicContact CD1-CG1 3.75Å |
| 408 | G | 96.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.2 | -52.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | A365 W404 D405 H410 F411 K412 | A365-G408 VanDerWaalsContact CB-C 3.47Å; W404-G408 PolarHBondContact O-N 3.35Å; D405-G408 PolarHBondContact O-N 3.43Å; G408-H410 VanDerWaalsContact C-N 3.32Å; G408-H410 PolarHBondContact O-N 2.94Å; G408-F411 CarbonylContact O-C 3.6Å; G408-F411 PolarHBondContact O-N 3.43Å; G408-K412 PolarHBondContact O-N 3.49Å |
| 409 | E | 95.6 | Very high | 92 | Very high | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 177.9 | -71.2 | -64.2 | 140.1 | 0 | 0 | 112.4 | A365 D405 K406 F411 K412 | A365-E409 HydrophobicContact CB-CG 4.29Å; A365-E409 VanDerWaalsContact CB-OE1 3.25Å; A365-E409 WeakPolarHBondContact CB-OE1 3.38Å; D405-E409 PolarHBondContact O-N 3.46Å; K406-E409 PolarHBondContact O-N 3.23Å; E409-F411 VanDerWaalsContact C-N 3.3Å; E409-F411 PolarHBondContact O-N 3.35Å; E409-K412 VanDerWaalsContact CD-NZ 3.31Å; E409-K412 WeakPolarHBondContact O-CB 3.44Å; E409-K412 PolarHBondContact O-N 2.95Å; E409-K412 IonicContact OE1-NZ 2.86Å; E409-K412 PolarHBondContact OE1-NZ 3.37Å; E409-K412 VanDerWaalsContact OE2-CD 3.29Å; E409-K412 WeakPolarHBondContact OE2-CD 3.34Å; E409-K412 IonicContact OE2-NZ 2.91Å; E409-K412 PolarHBondContact OE2-NZ 2.83Å |
| 410 | H | 95 | Very high | 92.1 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 175.6 | -175.3 | 85.8 | 0 | 0 | 0 | 112.6 | K406 L407 G408 | K406-H410 WeakPolarHBondContact O-CB 3.42Å; K406-H410 PolarHBondContact O-N 3.22Å; L407-H410 WeakPolarHBondContact O-CB 3.49Å; L407-H410 PolarHBondContact O-N 3.35Å; G408-H410 VanDerWaalsContact C-N 3.32Å; G408-H410 PolarHBondContact O-N 2.94Å |
| 411 | F | 94.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -99.1 | 1.5 | -179 | -71.3 | -67.2 | 0 | 0 | 0 | 114.7 | L407 G408 E409 D413 G414 K416 V417 I419 I463 V466 | L407-F411 HydrophobicContact CD1-CD2 3.95Å; L407-F411 HydrophobicContact CD1-CE2 3.62Å; L407-F411 HydrophobicContact CG-CD2 4.17Å; L407-F411 HydrophobicContact CG-CE2 4.3Å; L407-F411 WeakPolarHBondContact O-CD2 3.45Å; L407-F411 PolarHBondContact O-N 3.09Å; L407-F411 VanDerWaalsContact O-N 3.1Å; G408-F411 CarbonylContact O-C 3.6Å; G408-F411 PolarHBondContact O-N 3.43Å; E409-F411 VanDerWaalsContact C-N 3.3Å; E409-F411 PolarHBondContact O-N 3.35Å; F411-D413 PolarHBondContact O-N 3.11Å; F411-G414 WeakPolarHBondContact O-CA 3.47Å; F411-G414 PolarHBondContact O-N 2.9Å; F411-K416 HydrophobicContact CD1-CB 4.43Å; F411-K416 HydrophobicContact CE1-CB 4.45Å; F411-K416 HydrophobicContact CE1-CD 4.25Å; F411-V417 HydrophobicContact CB-CG1 3.97Å; F411-V417 HydrophobicContact CD1-CG1 3.86Å; F411-V417 HydrophobicContact CD2-CG1 3.89Å; F411-V417 HydrophobicContact CE1-CG1 4.32Å; F411-V417 HydrophobicContact CE2-CG1 4.33Å; F411-V417 HydrophobicContact CG-CG1 3.63Å; F411-I419 HydrophobicContact CB-CG1 4.11Å; F411-I419 HydrophobicContact CD2-CD1 3.97Å; F411-I419 HydrophobicContact CD2-CG1 4.2Å; F411-I463 HydrophobicContact CE2-CG1 4.2Å; F411-I463 HydrophobicContact CZ-CG1 4.44Å; F411-I463 HydrophobicContact CZ-CG2 4.45Å; F411-V466 HydrophobicContact CE1-CG1 3.88Å; F411-V466 HydrophobicContact CE2-CB 4.08Å; F411-V466 HydrophobicContact CE2-CG1 3.9Å; F411-V466 HydrophobicContact CE2-CG2 4.15Å; F411-V466 HydrophobicContact CZ-CB 3.9Å; F411-V466 HydrophobicContact CZ-CG1 3.49Å; F411-V466 VanDerWaalsContact CZ-CG1 3.49Å; F411-V466 HydrophobicContact CZ-CG2 4.47Å |
| 412 | K | 87.5 | Confident | 92.2 | Very high | 110 Ų | 110 | 59.1 Ų | 59.1 | 48% | 0.478 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -54.8 | -47.3 | -174.7 | -173.2 | -179.1 | -167.5 | 159.2 | 0 | 113.8 | A365 G408 E409 | A365-K412 HydrophobicContact CB-CB 3.99Å; A365-K412 HydrophobicContact CB-CD 3.9Å; A365-K412 HydrophobicContact CB-CG 3.88Å; G408-K412 PolarHBondContact O-N 3.49Å; E409-K412 VanDerWaalsContact CD-NZ 3.31Å; E409-K412 WeakPolarHBondContact O-CB 3.44Å; E409-K412 PolarHBondContact O-N 2.95Å; E409-K412 IonicContact OE1-NZ 2.86Å; E409-K412 PolarHBondContact OE1-NZ 3.37Å; E409-K412 VanDerWaalsContact OE2-CD 3.29Å; E409-K412 WeakPolarHBondContact OE2-CD 3.34Å; E409-K412 IonicContact OE2-NZ 2.91Å; E409-K412 PolarHBondContact OE2-NZ 2.83Å |
| 413 | D | 79.5 | Confident | 92.1 | Very high | 155 Ų | 155 | 56.5 Ų | 56.5 | 83% | 0.829 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -90.7 | -9 | 178.2 | -60.6 | -34.7 | 0 | 0 | 0 | 112 | F411 | F411-D413 PolarHBondContact O-N 3.11Š|
| 414 | G | 65.4 | Low | 92 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | trans | -76.1 | 135.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K383 F411 K416 | K383-G414 PolarHBondContact NZ-O 2.65Å; K383-G414 VanDerWaalsContact NZ-O 3.12Å; F411-G414 WeakPolarHBondContact O-CA 3.47Å; F411-G414 PolarHBondContact O-N 2.9Å; G414-K416 PolarHBondContact O-N 3.35Å | ||
| 415 | K | 67.5 | Low | 91.6 | Very high | 186 Ų | 186 | 57.6 Ų | 57.6 | 81% | 0.809 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -79.8 | 4.2 | 172.5 | -67.8 | -171.4 | -178.6 | -177.4 | 0 | 114.3 | K383 | K383-K415 WeakPolarHBondContact CD-O 3.44Å; K383-K415 WeakPolarHBondContact CE-O 3.46Å |
| 416 | K | 85.2 | Confident | 91.4 | Very high | 125 Ų | 125 | 55.3 Ų | 55.3 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -80.4 | -48.5 | -170.2 | -74.2 | -175.4 | 169.7 | -175.9 | 0 | 114.7 | P384 F411 G414 D467 | P384-K416 WeakPolarHBondContact CD-O 3.44Å; F411-K416 HydrophobicContact CD1-CB 4.43Å; F411-K416 HydrophobicContact CE1-CB 4.45Å; F411-K416 HydrophobicContact CE1-CD 4.25Å; G414-K416 PolarHBondContact O-N 3.35Å; K416-D467 IonicContact NZ-OD1 2.67Å; K416-D467 PolarHBondContact NZ-OD1 2.97Å |
| 417 | V | 95.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | trans | -150.7 | 156.3 | -171.4 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | P384 L386 F411 I419 Y442 V466 | P384-V417 HydrophobicContact CB-CG2 4.29Å; P384-V417 CarbonylContact O-C 3.56Å; P384-V417 WeakPolarHBondContact O-CA 3.17Å; P384-V417 WeakPolarHBondContact O-CG2 3.45Å; L386-V417 HydrophobicContact CB-CG2 4.03Å; F411-V417 HydrophobicContact CB-CG1 3.97Å; F411-V417 HydrophobicContact CD1-CG1 3.86Å; F411-V417 HydrophobicContact CD2-CG1 3.89Å; F411-V417 HydrophobicContact CE1-CG1 4.32Å; F411-V417 HydrophobicContact CE2-CG1 4.33Å; F411-V417 HydrophobicContact CG-CG1 3.63Å; V417-I419 HydrophobicContact CG1-CD1 3.61Å; V417-I419 HydrophobicContact CG1-CG1 4.37Å; V417-I419 HydrophobicContact CG2-CD1 4.36Å; V417-Y442 HydrophobicContact CG2-CE2 4.14Å; V417-V466 HydrophobicContact CB-CG1 3.89Å; V417-V466 HydrophobicContact CG1-CG1 3.5Å; V417-V466 HydrophobicContact CG1-CG2 4.36Å; V417-V466 HydrophobicContact CG2-CG1 4.38Å | ||
| 418 | I | 95.8 | Very high | 91.2 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.9 | 166.6 | -63.3 | 168.1 | 0 | 0 | 0 | 107.7 | K367 Y377 A381 K383 P384 V385 L386 | K367-I418 HydrophobicContact CG-CG2 3.82Å; Y377-I418 HydrophobicContact CE1-CD1 4.45Å; Y377-I418 HydrophobicContact CE1-CG2 4.26Å; Y377-I418 WeakPolarHBondContact OH-CG2 3.47Å; A381-I418 HydrophobicContact CB-CD1 4.14Å; K383-I418 HydrophobicContact CB-CD1 4.35Å; K383-I418 HydrophobicContact CB-CG1 4.25Å; K383-I418 HydrophobicContact CD-CG1 4.3Å; P384-I418 PolarHBondContact O-N 3.46Å; V385-I418 CarbonylContact C-O 3.56Å; V385-I418 WeakPolarHBondContact CA-O 3.41Å; V385-I418 HydrophobicContact CG1-CB 4.27Å; V385-I418 HydrophobicContact CG1-CG2 4.25Å; V385-I418 HydrophobicContact CG2-CB 4.26Å; V385-I418 HydrophobicContact CG2-CD1 4.33Å; L386-I418 PolarHBondContact N-O 3.48Å |
| 419 | I | 97.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.2 | 173.8 | -52.8 | -55.6 | 0 | 0 | 0 | 108.8 | V366 K367 L386 W404 L407 F411 V417 | V366-I419 WeakPolarHBondContact CA-O 3.28Å; V366-I419 HydrophobicContact CG1-CG2 4.39Å; V366-I419 HydrophobicContact CG2-CG2 4.03Å; K367-I419 PolarHBondContact N-O 2.94Å; L386-I419 HydrophobicContact CB-CD1 4Å; L386-I419 HydrophobicContact CD2-CD1 4.01Å; W404-I419 HydrophobicContact CD2-CG2 4.48Å; W404-I419 HydrophobicContact CZ2-CG2 4.16Å; L407-I419 HydrophobicContact CD2-CD1 4.05Å; L407-I419 HydrophobicContact CD2-CG2 4.44Å; L407-I419 HydrophobicContact CG-CD1 4.08Å; L407-I419 HydrophobicContact CG-CG1 4.35Å; F411-I419 HydrophobicContact CB-CG1 4.11Å; F411-I419 HydrophobicContact CD2-CD1 3.97Å; F411-I419 HydrophobicContact CD2-CG1 4.2Å; V417-I419 HydrophobicContact CG1-CD1 3.61Å; V417-I419 HydrophobicContact CG1-CG1 4.37Å; V417-I419 HydrophobicContact CG2-CD1 4.36Å |
| 420 | A | 98 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 163.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K367 L369 V385 L386 V387 E388 W404 | K367-A420 HydrophobicContact CB-CB 4.08Å; K367-A420 CarbonylContact O-C 3.58Å; K367-A420 WeakPolarHBondContact O-CA 3.45Å; L369-A420 HydrophobicContact CD1-CB 3.87Å; L369-A420 HydrophobicContact CD2-CB 4.32Å; L369-A420 HydrophobicContact CG-CB 3.9Å; V385-A420 HydrophobicContact CG1-CB 4.05Å; L386-A420 PolarHBondContact O-N 2.88Å; V387-A420 WeakPolarHBondContact CA-O 3.48Å; V387-A420 HydrophobicContact CG2-CB 4.3Å; E388-A420 PolarHBondContact N-O 2.95Å; W404-A420 PolarHBondContact NE1-O 2.87Å |
| 421 | K | 98.4 | Very high | 90.1 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.9 | 173.6 | 66.7 | -176.5 | 177.4 | -172.1 | 0 | 110.9 | V366 K367 V368 L369 E388 Y390 | V366-K421 HydrophobicContact CG1-CB 4.24Å; V366-K421 HydrophobicContact CG1-CD 4.03Å; V366-K421 HydrophobicContact CG1-CG 3.89Å; K367-K421 PolarHBondContact O-N 3.35Å; V368-K421 WeakPolarHBondContact CA-O 3.33Å; V368-K421 HydrophobicContact CG2-CG 4.41Å; L369-K421 PolarHBondContact N-O 2.8Å; E388-K421 HydrophobicContact CB-CB 4.26Å; E388-K421 CarbonylContact O-C 3.59Å; E388-K421 VanDerWaalsContact O-CA 3.24Å; E388-K421 WeakPolarHBondContact O-CA 3.28Å; Y390-K421 HydrophobicContact CD1-CB 4.11Å; Y390-K421 HydrophobicContact CE1-CB 4.01Å; Y390-K421 HydrophobicContact CE1-CD 4.09Å; Y390-K421 HydrophobicContact CE1-CG 4Å |
| 422 | M | 98.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 131 | 177.9 | -172.7 | 176.9 | 96.3 | 0 | 0 | 109.9 | L369 F374 V387 E388 F389 Y390 A424 N427 L429 | L369-M422 HydrophobicContact CB-CB 4.44Å; L369-M422 WeakPolarHBondContact O-CG 3.49Å; F374-M422 HydrophobicContact CD2-SD 3.99Å; V387-M422 HydrophobicContact CG1-CB 4.42Å; E388-M422 PolarHBondContact O-N 2.86Å; F389-M422 WeakPolarHBondContact CA-O 3.3Å; F389-M422 HydrophobicContact CD1-CB 4.06Å; F389-M422 HydrophobicContact CD1-CE 3.54Å; F389-M422 HydrophobicContact CD1-SD 4.38Å; F389-M422 HydrophobicContact CE1-CB 4.27Å; F389-M422 HydrophobicContact CE1-CE 3.43Å; F389-M422 VanDerWaalsContact CE1-CE 3.43Å; F389-M422 HydrophobicContact CE1-SD 4Å; Y390-M422 WeakPolarHBondContact CD1-O 3.38Å; Y390-M422 PolarHBondContact N-O 3.17Å; M422-A424 PolarHBondContact O-N 3.25Å; M422-A424 VanDerWaalsContact O-N 3.1Å; M422-N427 HydrophobicContact CE-CB 3.65Å; M422-N427 HydrophobicContact CG-CB 3.8Å; M422-N427 HydrophobicContact SD-CB 3.82Å; M422-L429 HydrophobicContact CE-CD1 3.64Å; M422-L429 HydrophobicContact CE-CD2 4.32Å; M422-L429 HydrophobicContact CE-CG 3.73Å; M422-L429 HydrophobicContact SD-CD1 4.22Å; M422-L429 HydrophobicContact SD-CG 4.46Å |
| 423 | D | 96.7 | Very high | 89.7 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 100.7 | 171.7 | -175.1 | -22.1 | 0 | 0 | 0 | 108.9 | Y390 P392 T425 A426 N427 | Y390-D423 HydrophobicContact CE1-CB 4.24Å; Y390-D423 HydrophobicContact CE2-CB 4.05Å; P392-D423 WeakPolarHBondContact CD-OD1 3.32Å; P392-D423 WeakPolarHBondContact CD-OD2 3.23Å; P392-D423 WeakPolarHBondContact CG-OD2 3.43Å; D423-T425 PolarHBondContact O-N 3.12Å; D423-T425 WeakPolarHBondContact OD1-CA 3.31Å; D423-T425 WeakPolarHBondContact OD1-CB 3.32Å; D423-T425 PolarHBondContact OD1-N 3.29Å; D423-T425 PolarHBondContact OD1-OG1 3.32Å; D423-A426 HydrophobicContact CB-CB 4.46Å; D423-A426 PolarHBondContact O-N 2.9Å; D423-A426 PolarHBondContact OD1-N 3.35Å; D423-N427 VanDerWaalsContact O-CB 3.3Å; D423-N427 WeakPolarHBondContact O-CB 3.25Å; D423-N427 PolarHBondContact O-N 3.43Å; D423-N427 PolarHBondContact O-ND2 3.32Å |
| 424 | A | 95.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F389 Y390 M422 N427 I434 F437 | F389-A424 HydrophobicContact CB-CB 4Å; F389-A424 HydrophobicContact CD1-CB 4.38Å; Y390-A424 PolarHBondContact O-N 2.95Å; M422-A424 PolarHBondContact O-N 3.25Å; M422-A424 VanDerWaalsContact O-N 3.1Å; A424-N427 WeakPolarHBondContact CA-O 3.24Å; A424-I434 HydrophobicContact CB-CB 4.4Å; A424-I434 HydrophobicContact CB-CG1 4.23Å; A424-I434 HydrophobicContact CB-CG2 4.23Å; A424-F437 HydrophobicContact CB-CE1 3.64Å; A424-F437 HydrophobicContact CB-CZ 4.42Å |
| 425 | T | 90.4 | Very high | 91 | Very high | 54 Ų | 54 | 48 Ų | 48 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -22.6 | 167.9 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | A391 W393 D423 F437 | A391-T425 HydrophobicContact CB-CG2 3.44Å; A391-T425 VanDerWaalsContact CB-CG2 3.44Å; W393-T425 HydrophobicContact CZ2-CG2 4.3Å; D423-T425 PolarHBondContact O-N 3.12Å; D423-T425 WeakPolarHBondContact OD1-CA 3.31Å; D423-T425 WeakPolarHBondContact OD1-CB 3.32Å; D423-T425 PolarHBondContact OD1-N 3.29Å; D423-T425 PolarHBondContact OD1-OG1 3.32Å; T425-F437 HydrophobicContact CG2-CE2 4.32Å; T425-F437 HydrophobicContact CG2-CZ 4.09Å |
| 426 | A | 92.5 | Very high | 92.1 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -4.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S354 Q355 D423 | S354-A426 CarbonylContact C-O 3.56Å; Q355-A426 HydrophobicContact CB-CB 4.24Å; Q355-A426 PolarHBondContact N-O 2.83Å; Q355-A426 VanDerWaalsContact N-O 3.16Å; D423-A426 HydrophobicContact CB-CB 4.46Å; D423-A426 PolarHBondContact O-N 2.9Å; D423-A426 PolarHBondContact OD1-N 3.35Å |
| 427 | N | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | trans | -137 | 121.2 | -178.3 | -60.3 | -83.1 | 0 | 0 | 0 | 110 | L353 Q355 V370 A371 M422 D423 A424 | L353-N427 CarbonylContact O-C 3.57Å; L353-N427 WeakPolarHBondContact O-CA 3.32Å; Q355-N427 PolarHBondContact N-OD1 3.35Å; Q355-N427 PolarHBondContact OE1-ND2 2.91Å; V370-N427 VanDerWaalsContact CA-OD1 3.32Å; V370-N427 WeakPolarHBondContact CA-OD1 3.43Å; V370-N427 WeakPolarHBondContact CB-OD1 3.39Å; A371-N427 HydrophobicContact CB-CB 3.81Å; A371-N427 PolarHBondContact N-OD1 2.86Å; M422-N427 HydrophobicContact CE-CB 3.65Å; M422-N427 HydrophobicContact CG-CB 3.8Å; M422-N427 HydrophobicContact SD-CB 3.82Å; D423-N427 VanDerWaalsContact O-CB 3.3Å; D423-N427 WeakPolarHBondContact O-CB 3.25Å; D423-N427 PolarHBondContact O-N 3.43Å; D423-N427 PolarHBondContact O-ND2 3.32Å; A424-N427 WeakPolarHBondContact CA-O 3.24Å | ||
| 428 | E | 93.9 | Very high | 92.4 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | trans | -113.6 | 140.5 | 178.1 | -65.6 | 171.2 | 154 | 0 | 0 | 109.7 | K323 L352 L353 A371 | K323-E428 WeakPolarHBondContact CE-OE1 3.4Å; K323-E428 IonicContact NZ-OE1 2.75Å; K323-E428 PolarHBondContact NZ-OE1 3.46Å; L352-E428 HydrophobicContact CB-CB 4.09Å; L352-E428 HydrophobicContact CD2-CB 3.92Å; L353-E428 HydrophobicContact CB-CG 4.19Å; L353-E428 WeakPolarHBondContact CG-OE2 3.09Å; L353-E428 PolarHBondContact N-OE2 3.39Å; L353-E428 PolarHBondContact O-N 2.79Å; A371-E428 VanDerWaalsContact CB-O 3.32Å; A371-E428 WeakPolarHBondContact CB-O 3.27Å | ||
| 429 | L | 92.4 | Very high | 92.5 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | trans | -119.2 | 146.1 | -177.9 | -63 | 177.3 | 0 | 0 | 0 | 110.5 | A371 F374 F389 M422 V432 | A371-L429 HydrophobicContact CB-CD2 3.93Å; F374-L429 HydrophobicContact CB-CD2 3.74Å; F374-L429 HydrophobicContact CD1-CD1 3.51Å; F374-L429 HydrophobicContact CD1-CD2 3.81Å; F374-L429 HydrophobicContact CD1-CG 4.31Å; F374-L429 HydrophobicContact CD2-CD1 4.18Å; F374-L429 HydrophobicContact CE1-CD1 3.53Å; F374-L429 HydrophobicContact CE2-CD1 4.21Å; F374-L429 HydrophobicContact CG-CD1 3.85Å; F374-L429 HydrophobicContact CG-CD2 3.84Å; F374-L429 HydrophobicContact CZ-CD1 3.91Å; F389-L429 HydrophobicContact CE1-CD1 3.72Å; F389-L429 HydrophobicContact CZ-CD1 4.06Å; M422-L429 HydrophobicContact CE-CD1 3.64Å; M422-L429 HydrophobicContact CE-CD2 4.32Å; M422-L429 HydrophobicContact CE-CG 3.73Å; M422-L429 HydrophobicContact SD-CD1 4.22Å; M422-L429 HydrophobicContact SD-CG 4.46Å; L429-V432 HydrophobicContact CB-CB 4.03Å; L429-V432 HydrophobicContact CD1-CB 3.88Å; L429-V432 HydrophobicContact CD1-CG1 4.49Å; L429-V432 HydrophobicContact CD1-CG2 4.15Å | ||
| 430 | E | 88 | Confident | 92.5 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -71.7 | -50.6 | 177.6 | -168.6 | 63 | -120.4 | 0 | 0 | 109.8 | L352 K433 | L352-E430 HydrophobicContact CD1-CB 3.92Å; E430-K433 WeakPolarHBondContact O-CE 3.3Å; E430-K433 PolarHBondContact O-NZ 2.99Å; E430-K433 IonicContact OE1-NZ 3.89Å |
| 431 | E | 84.6 | Confident | 92.5 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -82.3 | -15.1 | -171.4 | -58.6 | 88.9 | 167.1 | 0 | 0 | 114 | N375 Q449 | N375-E431 VanDerWaalsContact ND2-CD 3.27Å; N375-E431 PolarHBondContact ND2-OE1 3.35Å; N375-E431 VanDerWaalsContact ND2-OE1 3.07Å; N375-E431 PolarHBondContact ND2-OE2 2.92Å; E431-Q449 PolarHBondContact O-NE2 3Å |
| 432 | V | 87.9 | Confident | 92.4 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -125.2 | 105.4 | -174.8 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | F374 F389 L429 I434 M441 F443 | F374-V432 HydrophobicContact CE1-CG2 4.46Å; F389-V432 HydrophobicContact CE2-CG1 3.98Å; F389-V432 HydrophobicContact CZ-CG1 3.94Å; L429-V432 HydrophobicContact CB-CB 4.03Å; L429-V432 HydrophobicContact CD1-CB 3.88Å; L429-V432 HydrophobicContact CD1-CG1 4.49Å; L429-V432 HydrophobicContact CD1-CG2 4.15Å; V432-I434 HydrophobicContact CG1-CD1 3.54Å; V432-I434 HydrophobicContact CG1-CG1 4.21Å; V432-M441 HydrophobicContact CG1-CE 4.33Å; V432-M441 HydrophobicContact CG1-SD 3.5Å; V432-M441 WeakPolarHBondContact CG1-SD 3.21Å; V432-F443 HydrophobicContact CG2-CE1 4.07Å; V432-F443 HydrophobicContact CG2-CZ 3.95Å | ||
| 433 | K | 85 | Confident | 92.3 | Very high | 69 Ų | 69 | 37 Ų | 37 | 30% | 0.3 | 20% | 0.196 | S | C | . | . | trans | -89.5 | 118.6 | 175.8 | -53.5 | -53.1 | -172.9 | -156.6 | 0 | 110.3 | E430 R452 | E430-K433 WeakPolarHBondContact O-CE 3.3Å; E430-K433 PolarHBondContact O-NZ 2.99Å; E430-K433 IonicContact OE1-NZ 3.89Å; K433-R452 PolarHBondContact O-NH2 2.86Å | ||
| 434 | I | 88.9 | Confident | 92.2 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | trans | -104.4 | 116.4 | 179.4 | -53.4 | -59.9 | 0 | 0 | 0 | 109.4 | F389 A424 V432 S436 F437 T439 | F389-I434 HydrophobicContact CB-CD1 3.77Å; F389-I434 HydrophobicContact CB-CG1 4.04Å; F389-I434 HydrophobicContact CB-CG2 4.3Å; F389-I434 HydrophobicContact CD1-CD1 4.15Å; F389-I434 HydrophobicContact CD1-CG1 4.26Å; F389-I434 HydrophobicContact CD2-CD1 3.54Å; F389-I434 HydrophobicContact CD2-CG1 4.48Å; F389-I434 HydrophobicContact CE2-CD1 4.11Å; F389-I434 HydrophobicContact CG-CD1 3.54Å; F389-I434 HydrophobicContact CG-CG1 4.01Å; A424-I434 HydrophobicContact CB-CB 4.4Å; A424-I434 HydrophobicContact CB-CG1 4.23Å; A424-I434 HydrophobicContact CB-CG2 4.23Å; V432-I434 HydrophobicContact CG1-CD1 3.54Å; V432-I434 HydrophobicContact CG1-CG1 4.21Å; I434-S436 WeakPolarHBondContact CG2-O 3.35Å; I434-F437 HydrophobicContact CG2-CD1 3.96Å; I434-F437 HydrophobicContact CG2-CE1 3.51Å; I434-F437 HydrophobicContact CG2-CZ 4.27Å; I434-T439 HydrophobicContact CD1-CG2 3.76Å | ||
| 435 | Q | 84.4 | Confident | 92.2 | Very high | 154 Ų | 154 | 46.9 Ų | 46.9 | 72% | 0.72 | 24% | 0.235 | S | C | * | . | trans | -107.4 | -21.5 | -177.2 | -67.4 | 177.1 | -23 | 0 | 0 | 113.1 | ||||
| 436 | S | 89.2 | Confident | 92 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -145.2 | 161.7 | -177.8 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | I434 T439 | I434-S436 WeakPolarHBondContact CG2-O 3.35Å; S436-T439 PolarHBondContact O-OG1 2.88Å |
| 437 | F | 92.6 | Very high | 91.9 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -128.7 | 138.2 | -176.5 | -55.1 | -67.7 | 0 | 0 | 0 | 111.9 | A391 W393 C394 A424 T425 I434 | A391-F437 HydrophobicContact CB-CB 4.14Å; A391-F437 HydrophobicContact CB-CD1 3.99Å; A391-F437 HydrophobicContact CB-CD2 3.46Å; A391-F437 VanDerWaalsContact CB-CD2 3.46Å; A391-F437 HydrophobicContact CB-CE1 4.26Å; A391-F437 HydrophobicContact CB-CE2 3.76Å; A391-F437 HydrophobicContact CB-CG 3.59Å; A391-F437 HydrophobicContact CB-CZ 4.14Å; W393-F437 AromaticContact CH2-CD2 3.97Å; W393-F437 HydrophobicContact CH2-CD2 3.97Å; W393-F437 HydrophobicContact CH2-CE2 4.08Å; W393-F437 HydrophobicContact CZ2-CD2 4.28Å; W393-F437 HydrophobicContact CZ2-CE2 4.04Å; C394-F437 HydrophobicContact CB-CB 4.06Å; C394-F437 PolarHBondContact SG-O 3.16Å; C394-F437 VanDerWaalsContact SG-O 3.33Å; A424-F437 HydrophobicContact CB-CE1 3.64Å; A424-F437 HydrophobicContact CB-CZ 4.42Å; T425-F437 HydrophobicContact CG2-CE2 4.32Å; T425-F437 HydrophobicContact CG2-CZ 4.09Å; I434-F437 HydrophobicContact CG2-CD1 3.96Å; I434-F437 HydrophobicContact CG2-CE1 3.51Å; I434-F437 HydrophobicContact CG2-CZ 4.27Å |
| 438 | P | 96 | Very high | 91.4 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | S | Bend | cis | -71.2 | 148.7 | -10.1 | 31.5 | -34.5 | 0 | 0 | 0 | 111 | E388 F389 L400 | E388-P438 HydrophobicContact CG-CB 4.22Å; F389-P438 WeakPolarHBondContact O-CA 3.42Å; L400-P438 HydrophobicContact CD2-CB 3.95Å; L400-P438 HydrophobicContact CD2-CG 3.84Å |
| 439 | T | 96.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.8 | 163.1 | -71 | 0 | 0 | 0 | 0 | 107.7 | F389 I434 S436 M441 | F389-T439 WeakPolarHBondContact CB-O 3.47Å; F389-T439 HydrophobicContact CD2-CG2 4.31Å; F389-T439 PolarHBondContact N-O 3.42Å; F389-T439 PolarHBondContact O-N 2.93Å; I434-T439 HydrophobicContact CD1-CG2 3.76Å; S436-T439 PolarHBondContact O-OG1 2.88Å; T439-M441 HydrophobicContact CG2-CG 4.08Å; T439-M441 HydrophobicContact CG2-SD 4.35Å |
| 440 | I | 98.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.7 | 179.9 | -65.9 | 158.9 | 0 | 0 | 0 | 108.9 | L386 V387 L400 W404 Y453 L462 | L386-I440 HydrophobicContact CD1-CG2 3.79Å; L386-I440 HydrophobicContact CG-CG2 4.27Å; V387-I440 WeakPolarHBondContact O-CA 3.28Å; L400-I440 HydrophobicContact CD2-CD1 3.86Å; L400-I440 HydrophobicContact CD2-CG1 4.41Å; W404-I440 HydrophobicContact CH2-CB 4.5Å; W404-I440 HydrophobicContact CH2-CD1 4.37Å; W404-I440 HydrophobicContact CH2-CG1 4.02Å; W404-I440 HydrophobicContact CH2-CG2 3.74Å; W404-I440 HydrophobicContact CZ3-CD1 3.82Å; W404-I440 HydrophobicContact CZ3-CG1 3.94Å; W404-I440 HydrophobicContact CZ3-CG2 4.19Å; I440-Y453 HydrophobicContact CB-CD1 4.41Å; I440-Y453 HydrophobicContact CD1-CD1 3.98Å; I440-Y453 HydrophobicContact CG2-CD1 4.48Å; I440-Y453 HydrophobicContact CG2-CG 4.39Å; I440-Y453 PolarHBondContact O-N 3Å; I440-L462 HydrophobicContact CD1-CD2 4.05Å |
| 441 | M | 97.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.5 | 179.6 | -63.6 | -177.2 | 71.2 | 0 | 0 | 112.3 | V387 F389 V432 T439 F443 G450 L451 R452 | V387-M441 PolarHBondContact N-O 2.84Å; V387-M441 PolarHBondContact O-N 3.45Å; F389-M441 HydrophobicContact CD2-CG 4.37Å; F389-M441 HydrophobicContact CD2-SD 4.37Å; F389-M441 HydrophobicContact CE2-CB 4.05Å; F389-M441 HydrophobicContact CE2-CG 4.03Å; F389-M441 HydrophobicContact CE2-SD 3.83Å; V432-M441 HydrophobicContact CG1-CE 4.33Å; V432-M441 HydrophobicContact CG1-SD 3.5Å; V432-M441 WeakPolarHBondContact CG1-SD 3.21Å; T439-M441 HydrophobicContact CG2-CG 4.08Å; T439-M441 HydrophobicContact CG2-SD 4.35Å; M441-F443 HydrophobicContact CB-CD2 4.32Å; M441-F443 HydrophobicContact CB-CE2 3.56Å; M441-F443 HydrophobicContact CB-CZ 3.89Å; M441-F443 HydrophobicContact CE-CZ 4.18Å; M441-F443 HydrophobicContact SD-CZ 4.24Å; M441-G450 WeakPolarHBondContact CE-O 3.28Å; M441-L451 CarbonylContact C-O 3.52Å; M441-L451 VanDerWaalsContact CA-O 3.32Å; M441-L451 WeakPolarHBondContact CA-O 3.4Å; M441-R452 HydrophobicContact CE-CG 4.12Å; M441-R452 HydrophobicContact CG-CG 3.93Å; M441-R452 HydrophobicContact SD-CG 4.21Å |
| 442 | Y | 97.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.1 | 174 | -176.9 | -87.4 | 0 | 0 | 0 | 110.3 | P384 L386 V417 K444 G450 L451 E469 | P384-Y442 HydrophobicContact CB-CE1 4Å; P384-Y442 HydrophobicContact CB-CE2 3.9Å; P384-Y442 VanDerWaalsContact CB-CZ 3.43Å; P384-Y442 WeakPolarHBondContact CB-OH 3.32Å; P384-Y442 VanDerWaalsContact CG-OH 3.23Å; P384-Y442 WeakPolarHBondContact CG-OH 3.35Å; L386-Y442 HydrophobicContact CD1-CD2 4.08Å; V417-Y442 HydrophobicContact CG2-CE2 4.14Å; Y442-K444 HydrophobicContact CD1-CG 4.44Å; Y442-K444 HydrophobicContact CE1-CG 4.06Å; Y442-G450 CarbonylContact O-C 3.54Å; Y442-G450 VanDerWaalsContact O-CA 3.27Å; Y442-G450 WeakPolarHBondContact O-CA 3.3Å; Y442-L451 PolarHBondContact N-O 2.87Å; Y442-L451 PolarHBondContact O-N 3.44Å; Y442-E469 HydrophobicContact CE1-CB 4.46Å |
| 443 | F | 96.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.9 | 175.5 | -61.4 | -92.5 | 0 | 0 | 0 | 108.9 | F374 L378 P384 V385 V387 F389 V432 M441 S448 | F374-F443 HydrophobicContact CE1-CE1 4.38Å; F374-F443 HydrophobicContact CE1-CZ 4.21Å; F374-F443 HydrophobicContact CZ-CE1 4.29Å; F374-F443 AromaticContact CZ-CE2 3.87Å; F374-F443 HydrophobicContact CZ-CE2 3.87Å; F374-F443 AromaticContact CZ-CZ 3.74Å; F374-F443 HydrophobicContact CZ-CZ 3.74Å; L378-F443 HydrophobicContact CD1-CB 4.3Å; L378-F443 HydrophobicContact CD1-CD1 3.5Å; L378-F443 VanDerWaalsContact CD1-CD1 3.5Å; L378-F443 HydrophobicContact CD1-CD2 4.41Å; L378-F443 HydrophobicContact CD1-CE1 3.87Å; L378-F443 HydrophobicContact CD1-CG 3.81Å; L378-F443 HydrophobicContact CD1-CZ 4.48Å; L378-F443 HydrophobicContact CD2-CB 3.96Å; L378-F443 HydrophobicContact CD2-CD2 4.31Å; L378-F443 HydrophobicContact CD2-CG 4.02Å; P384-F443 CarbonylContact C-O 3.55Å; P384-F443 WeakPolarHBondContact CA-O 3.29Å; P384-F443 WeakPolarHBondContact CB-O 3.35Å; V385-F443 PolarHBondContact N-O 3.35Å; V385-F443 PolarHBondContact O-N 2.85Å; V387-F443 HydrophobicContact CB-CE2 4.11Å; V387-F443 HydrophobicContact CG2-CD2 3.83Å; V387-F443 HydrophobicContact CG2-CE2 3.8Å; F389-F443 HydrophobicContact CE2-CE2 4.17Å; F389-F443 HydrophobicContact CE2-CZ 4.25Å; F389-F443 HydrophobicContact CZ-CE2 4.21Å; F389-F443 HydrophobicContact CZ-CZ 4.17Å; V432-F443 HydrophobicContact CG2-CE1 4.07Å; V432-F443 HydrophobicContact CG2-CZ 3.95Å; M441-F443 HydrophobicContact CB-CD2 4.32Å; M441-F443 HydrophobicContact CB-CE2 3.56Å; M441-F443 HydrophobicContact CB-CZ 3.89Å; M441-F443 HydrophobicContact CE-CZ 4.18Å; M441-F443 HydrophobicContact SD-CZ 4.24Å; F443-S448 WeakPolarHBondContact CE1-O 3.42Å |
| 444 | K | 94.9 | Very high | 92.5 | Very high | 106 Ų | 106 | 50 Ų | 50 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 157 | 170.5 | -67.6 | 177.8 | -175.4 | 169 | 0 | 109.5 | Y442 G446 A447 | Y442-K444 HydrophobicContact CD1-CG 4.44Å; Y442-K444 HydrophobicContact CE1-CG 4.06Å; K444-G446 PolarHBondContact O-N 3.5Å; K444-G446 VanDerWaalsContact O-N 3.11Å; K444-A447 HydrophobicContact CB-CB 4.06Å; K444-A447 WeakPolarHBondContact O-CB 3.45Å; K444-A447 PolarHBondContact O-N 3.37Å |
| 445 | K | 93.7 | Very high | 92.6 | Very high | 134 Ų | 134 | 49 Ų | 49 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 120 | 178.9 | 178.7 | -176.5 | 178.3 | 152.9 | 0 | 111.1 | E382 A447 | E382-K445 VanDerWaalsContact O-CD 3.27Å; E382-K445 WeakPolarHBondContact O-CD 3.34Å; E382-K445 VanDerWaalsContact O-CE 3.28Å; E382-K445 WeakPolarHBondContact O-CE 3.48Å; E382-K445 PolarHBondContact O-NZ 3.4Å; K445-A447 PolarHBondContact O-N 3.23Å |
| 446 | G | 87.5 | Confident | 93 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | -1.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K444 | K444-G446 PolarHBondContact O-N 3.5Å; K444-G446 VanDerWaalsContact O-N 3.11Å |
| 447 | A | 89.9 | Confident | 93.2 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | trans | -79.1 | 140 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K444 K445 | K444-A447 HydrophobicContact CB-CB 4.06Å; K444-A447 WeakPolarHBondContact O-CB 3.45Å; K444-A447 PolarHBondContact O-N 3.37Å; K445-A447 PolarHBondContact O-N 3.23Å | ||
| 448 | S | 85.5 | Confident | 93.4 | Very high | 54 Ų | 54 | 48 Ų | 48 | 38% | 0.378 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -89.2 | -20.7 | 170.6 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | F443 | F443-S448 WeakPolarHBondContact CE1-O 3.42Š|
| 449 | Q | 88.3 | Confident | 93.4 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -99.6 | 138.4 | 175.9 | -68.2 | -63.1 | -36.6 | 0 | 0 | 110.2 | E431 | E431-Q449 PolarHBondContact O-NE2 3Š|
| 450 | G | 90.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 56 Ų | 56 | 9% | 0.093 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M441 Y442 | M441-G450 WeakPolarHBondContact CE-O 3.28Å; Y442-G450 CarbonylContact O-C 3.54Å; Y442-G450 VanDerWaalsContact O-CA 3.27Å; Y442-G450 WeakPolarHBondContact O-CA 3.3Å |
| 451 | L | 94.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.6 | 172.4 | -59.2 | 174 | 0 | 0 | 0 | 108.9 | M441 Y442 | M441-L451 CarbonylContact C-O 3.52Å; M441-L451 VanDerWaalsContact CA-O 3.32Å; M441-L451 WeakPolarHBondContact CA-O 3.4Å; Y442-L451 PolarHBondContact N-O 2.87Å; Y442-L451 PolarHBondContact O-N 3.44Å |
| 452 | R | 94.6 | Very high | 93.4 | Very high | 86 Ų | 86 | 56.5 Ų | 56.5 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 140.3 | 177.1 | -75.3 | -173.3 | 178.3 | 173.7 | 1.5 | 111.1 | K433 M441 A474 E475 | K433-R452 PolarHBondContact O-NH2 2.86Å; M441-R452 HydrophobicContact CE-CG 4.12Å; M441-R452 HydrophobicContact CG-CG 3.93Å; M441-R452 HydrophobicContact SD-CG 4.21Å; R452-A474 CarbonylContact O-C 3.53Å; R452-A474 WeakPolarHBondContact O-CA 3.46Å; R452-E475 HydrophobicContact CB-CB 4.02Å; R452-E475 WeakPolarHBondContact CB-OE2 3.39Å; R452-E475 VanDerWaalsContact CD-OE2 3.26Å; R452-E475 WeakPolarHBondContact CD-OE2 3.42Å; R452-E475 PolarHBondContact O-N 3.01Å |
| 453 | Y | 95.5 | Very high | 93.3 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 127.9 | 173.5 | -177.3 | -111.7 | 0 | 0 | 0 | 110.7 | I440 G455 D456 A461 L462 F465 G473 | I440-Y453 HydrophobicContact CB-CD1 4.41Å; I440-Y453 HydrophobicContact CD1-CD1 3.98Å; I440-Y453 HydrophobicContact CG2-CD1 4.48Å; I440-Y453 HydrophobicContact CG2-CG 4.39Å; I440-Y453 PolarHBondContact O-N 3Å; Y453-G455 WeakPolarHBondContact CE1-O 3.2Å; Y453-G455 VanDerWaalsContact CZ-C 3.48Å; Y453-G455 WeakPolarHBondContact OH-CA 3.26Å; Y453-D456 PolarHBondContact OH-N 2.93Å; Y453-D456 PolarHBondContact OH-O 3.32Å; Y453-A461 VanDerWaalsContact OH-CB 3.29Å; Y453-A461 WeakPolarHBondContact OH-CB 3.26Å; Y453-L462 HydrophobicContact CD1-CD2 4.07Å; Y453-L462 HydrophobicContact CE1-CD2 3.69Å; Y453-F465 HydrophobicContact CD2-CB 3.84Å; Y453-F465 AromaticContact CD2-CD1 3.56Å; Y453-F465 HydrophobicContact CD2-CD1 3.56Å; Y453-F465 AromaticContact CD2-CD2 3.48Å; Y453-F465 HydrophobicContact CD2-CD2 3.48Å; Y453-F465 VanDerWaalsContact CD2-CD2 3.48Å; Y453-F465 AromaticContact CD2-CE1 3.86Å; Y453-F465 HydrophobicContact CD2-CE1 3.86Å; Y453-F465 AromaticContact CD2-CE2 3.74Å; Y453-F465 HydrophobicContact CD2-CE2 3.74Å; Y453-F465 AromaticContact CD2-CG 3.35Å; Y453-F465 HydrophobicContact CD2-CG 3.35Å; Y453-F465 AromaticContact CD2-CZ 3.94Å; Y453-F465 HydrophobicContact CD2-CZ 3.94Å; Y453-F465 HydrophobicContact CE2-CB 3.64Å; Y453-F465 HydrophobicContact CE2-CD1 4.23Å; Y453-F465 AromaticContact CE2-CD2 3.97Å; Y453-F465 HydrophobicContact CE2-CD2 3.97Å; Y453-F465 AromaticContact CE2-CG 3.71Å; Y453-F465 HydrophobicContact CE2-CG 3.71Å; Y453-F465 HydrophobicContact CG-CD1 4.04Å; Y453-F465 HydrophobicContact CG-CE1 4.09Å; Y453-F465 HydrophobicContact CG-CG 4.28Å; Y453-F465 HydrophobicContact CG-CZ 4.34Å; Y453-G473 WeakPolarHBondContact CD2-O 3.44Å |
| 454 | G | 91.9 | Very high | 93.3 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | trans | -118.6 | 14.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G473 | G454-G473 PolarHBondContact N-O 3.43Š| ||
| 455 | G | 91.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -91.5 | -175.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y453 G473 | Y453-G455 WeakPolarHBondContact CE1-O 3.2Å; Y453-G455 VanDerWaalsContact CZ-C 3.48Å; Y453-G455 WeakPolarHBondContact OH-CA 3.26Å; G455-G473 PolarHBondContact N-O 2.87Å |
| 456 | D | 91.5 | Very high | 93.4 | Very high | 122 Ų | 122 | 52 Ų | 52 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | trans | -65.6 | 139.8 | 180 | -67.8 | -34.2 | 0 | 0 | 0 | 113 | Y453 T458 A461 | Y453-D456 PolarHBondContact OH-N 2.93Å; Y453-D456 PolarHBondContact OH-O 3.32Å; D456-T458 HydrophobicContact CB-CG2 4.35Å; D456-T458 PolarHBondContact O-N 3.14Å; D456-A461 HydrophobicContact CB-CB 4.25Å; D456-A461 WeakPolarHBondContact O-CB 2.95Å | ||
| 457 | H | 94.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | trans | -79.1 | 41.6 | 178.1 | -66.3 | 160.6 | 0 | 0 | 0 | 113.9 | L400 I403 | L400-H457 HydrophobicContact CD1-CB 4.13Å; I403-H457 WeakPolarHBondContact CD1-O 3.47Å | ||
| 458 | T | 96.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -98.5 | 153.2 | 174.7 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | D456 E460 A461 L462 | D456-T458 HydrophobicContact CB-CG2 4.35Å; D456-T458 PolarHBondContact O-N 3.14Å; T458-E460 VanDerWaalsContact C-N 3.25Å; T458-E460 PolarHBondContact O-N 3.1Å; T458-A461 PolarHBondContact O-N 2.92Å; T458-A461 VanDerWaalsContact OG1-CB 3.27Å; T458-A461 WeakPolarHBondContact OG1-CB 3.43Å; T458-A461 PolarHBondContact OG1-N 3.02Å; T458-L462 WeakPolarHBondContact O-CG 3.3Å; T458-L462 PolarHBondContact O-N 2.91Å |
| 459 | L | 96.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.3 | -42.6 | 178.2 | -179.3 | 60.4 | 0 | 0 | 0 | 111.6 | I403 K406 L407 L462 I463 | I403-L459 HydrophobicContact CG2-CB 4.06Å; K406-L459 HydrophobicContact CB-CD1 4.21Å; K406-L459 HydrophobicContact CB-CD2 4.16Å; K406-L459 HydrophobicContact CD-CD2 4.49Å; L407-L459 HydrophobicContact CB-CD1 3.94Å; L407-L459 HydrophobicContact CD1-CD1 3.94Å; L459-L462 PolarHBondContact O-N 3.27Å; L459-I463 HydrophobicContact CD1-CD1 4.06Å; L459-I463 HydrophobicContact CD1-CG1 4.36Å; L459-I463 HydrophobicContact CG-CD1 3.89Å; L459-I463 VanDerWaalsContact O-CG1 3.24Å; L459-I463 WeakPolarHBondContact O-CG1 3.5Å; L459-I463 PolarHBondContact O-N 2.73Å |
| 460 | E | 96.5 | Very high | 94.3 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 69% | 0.692 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | -178.9 | -68.9 | 138.1 | -167.9 | 0 | 0 | 112.3 | T458 I463 K464 | T458-E460 VanDerWaalsContact C-N 3.25Å; T458-E460 PolarHBondContact O-N 3.1Å; E460-I463 PolarHBondContact O-N 3.2Å; E460-K464 WeakPolarHBondContact O-CG 3.44Å; E460-K464 PolarHBondContact O-N 3.37Å |
| 461 | A | 96.7 | Very high | 94.3 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -38 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y453 D456 T458 K464 F465 | Y453-A461 VanDerWaalsContact OH-CB 3.29Å; Y453-A461 WeakPolarHBondContact OH-CB 3.26Å; D456-A461 HydrophobicContact CB-CB 4.25Å; D456-A461 WeakPolarHBondContact O-CB 2.95Å; T458-A461 PolarHBondContact O-N 2.92Å; T458-A461 VanDerWaalsContact OG1-CB 3.27Å; T458-A461 WeakPolarHBondContact OG1-CB 3.43Å; T458-A461 PolarHBondContact OG1-N 3.02Å; A461-K464 PolarHBondContact O-N 3.44Å; A461-F465 PolarHBondContact O-N 3.02Å |
| 462 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67 | -39 | 174.6 | -66.3 | 170.5 | 0 | 0 | 0 | 112.3 | L400 I403 W404 L407 I440 Y453 T458 L459 K464 F465 V466 | L400-L462 HydrophobicContact CD1-CD1 4.03Å; I403-L462 HydrophobicContact CG2-CD1 3.98Å; W404-L462 HydrophobicContact CE3-CD1 4.02Å; W404-L462 HydrophobicContact CZ3-CD1 4.01Å; W404-L462 HydrophobicContact CZ3-CD2 4.04Å; L407-L462 HydrophobicContact CD1-CB 3.98Å; L407-L462 HydrophobicContact CD2-CB 3.92Å; L407-L462 HydrophobicContact CD2-CD1 4.18Å; I440-L462 HydrophobicContact CD1-CD2 4.05Å; Y453-L462 HydrophobicContact CD1-CD2 4.07Å; Y453-L462 HydrophobicContact CE1-CD2 3.69Å; T458-L462 WeakPolarHBondContact O-CG 3.3Å; T458-L462 PolarHBondContact O-N 2.91Å; L459-L462 PolarHBondContact O-N 3.27Å; L462-K464 VanDerWaalsContact C-N 3.35Å; L462-F465 PolarHBondContact O-N 3.3Å; L462-V466 WeakPolarHBondContact O-CG2 3.27Å; L462-V466 PolarHBondContact O-N 3.18Å |
| 463 | I | 95.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 173 | -71.6 | 167 | 0 | 0 | 0 | 110.3 | L407 F411 L459 E460 F465 V466 D467 | L407-I463 HydrophobicContact CD1-CG1 3.75Å; F411-I463 HydrophobicContact CE2-CG1 4.2Å; F411-I463 HydrophobicContact CZ-CG1 4.44Å; F411-I463 HydrophobicContact CZ-CG2 4.45Å; L459-I463 HydrophobicContact CD1-CD1 4.06Å; L459-I463 HydrophobicContact CD1-CG1 4.36Å; L459-I463 HydrophobicContact CG-CD1 3.89Å; L459-I463 VanDerWaalsContact O-CG1 3.24Å; L459-I463 WeakPolarHBondContact O-CG1 3.5Å; L459-I463 PolarHBondContact O-N 2.73Å; E460-I463 PolarHBondContact O-N 3.2Å; I463-F465 PolarHBondContact O-N 2.63Å; I463-V466 PolarHBondContact O-N 2.98Å; I463-D467 WeakPolarHBondContact O-CB 3.49Å; I463-D467 PolarHBondContact O-N 3.46Å |
| 464 | K | 95.4 | Very high | 93.2 | Very high | 121 Ų | 121 | 60.7 Ų | 60.7 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.6 | -73.7 | 179.2 | -177.3 | -178.8 | 0 | 112.9 | E460 A461 L462 V466 D467 S468 | E460-K464 WeakPolarHBondContact O-CG 3.44Å; E460-K464 PolarHBondContact O-N 3.37Å; A461-K464 PolarHBondContact O-N 3.44Å; L462-K464 VanDerWaalsContact C-N 3.35Å; K464-V466 VanDerWaalsContact C-N 3.34Å; K464-V466 PolarHBondContact O-N 3.26Å; K464-D467 PolarHBondContact O-N 3.08Å; K464-S468 VanDerWaalsContact O-CB 3.25Å; K464-S468 WeakPolarHBondContact O-CB 3.35Å; K464-S468 PolarHBondContact O-N 2.6Å; K464-S468 PolarHBondContact O-OG 2.96Å |
| 465 | F | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.7 | -176 | -123.9 | 0 | 0 | 0 | 111.7 | L386 Y453 A461 L462 I463 S468 E469 G470 E472 A474 | L386-F465 HydrophobicContact CD1-CD1 3.86Å; L386-F465 HydrophobicContact CD1-CE1 3.74Å; Y453-F465 HydrophobicContact CD2-CB 3.84Å; Y453-F465 AromaticContact CD2-CD1 3.56Å; Y453-F465 HydrophobicContact CD2-CD1 3.56Å; Y453-F465 AromaticContact CD2-CD2 3.48Å; Y453-F465 HydrophobicContact CD2-CD2 3.48Å; Y453-F465 VanDerWaalsContact CD2-CD2 3.48Å; Y453-F465 AromaticContact CD2-CE1 3.86Å; Y453-F465 HydrophobicContact CD2-CE1 3.86Å; Y453-F465 AromaticContact CD2-CE2 3.74Å; Y453-F465 HydrophobicContact CD2-CE2 3.74Å; Y453-F465 AromaticContact CD2-CG 3.35Å; Y453-F465 HydrophobicContact CD2-CG 3.35Å; Y453-F465 AromaticContact CD2-CZ 3.94Å; Y453-F465 HydrophobicContact CD2-CZ 3.94Å; Y453-F465 HydrophobicContact CE2-CB 3.64Å; Y453-F465 HydrophobicContact CE2-CD1 4.23Å; Y453-F465 AromaticContact CE2-CD2 3.97Å; Y453-F465 HydrophobicContact CE2-CD2 3.97Å; Y453-F465 AromaticContact CE2-CG 3.71Å; Y453-F465 HydrophobicContact CE2-CG 3.71Å; Y453-F465 HydrophobicContact CG-CD1 4.04Å; Y453-F465 HydrophobicContact CG-CE1 4.09Å; Y453-F465 HydrophobicContact CG-CG 4.28Å; Y453-F465 HydrophobicContact CG-CZ 4.34Å; A461-F465 PolarHBondContact O-N 3.02Å; L462-F465 PolarHBondContact O-N 3.3Å; I463-F465 PolarHBondContact O-N 2.63Å; F465-S468 PolarHBondContact O-OG 3.35Å; F465-S468 VanDerWaalsContact O-OG 3.06Å; F465-E469 PolarHBondContact O-N 3.02Å; F465-G470 WeakPolarHBondContact CE2-O 3.3Å; F465-G470 WeakPolarHBondContact O-CA 3.19Å; F465-G470 PolarHBondContact O-N 2.83Å; F465-E472 WeakPolarHBondContact CA-O 3.18Å; F465-E472 WeakPolarHBondContact CD2-O 3.44Å; F465-A474 HydrophobicContact CE2-CB 4.36Å |
| 466 | V | 94.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | L386 F411 V417 L462 I463 K464 S468 E469 | L386-V466 HydrophobicContact CD2-CG2 3.76Å; F411-V466 HydrophobicContact CE1-CG1 3.88Å; F411-V466 HydrophobicContact CE2-CB 4.08Å; F411-V466 HydrophobicContact CE2-CG1 3.9Å; F411-V466 HydrophobicContact CE2-CG2 4.15Å; F411-V466 HydrophobicContact CZ-CB 3.9Å; F411-V466 HydrophobicContact CZ-CG1 3.49Å; F411-V466 VanDerWaalsContact CZ-CG1 3.49Å; F411-V466 HydrophobicContact CZ-CG2 4.47Å; V417-V466 HydrophobicContact CB-CG1 3.89Å; V417-V466 HydrophobicContact CG1-CG1 3.5Å; V417-V466 HydrophobicContact CG1-CG2 4.36Å; V417-V466 HydrophobicContact CG2-CG1 4.38Å; L462-V466 WeakPolarHBondContact O-CG2 3.27Å; L462-V466 PolarHBondContact O-N 3.18Å; I463-V466 PolarHBondContact O-N 2.98Å; K464-V466 VanDerWaalsContact C-N 3.34Å; K464-V466 PolarHBondContact O-N 3.26Å; V466-S468 PolarHBondContact O-N 3.02Å; V466-E469 PolarHBondContact O-N 3.27Å |
| 467 | D | 93.7 | Very high | 89.6 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.4 | -25.5 | -176.2 | -83.5 | -23.3 | 0 | 0 | 0 | 112.9 | K416 I463 K464 E469 | K416-D467 IonicContact NZ-OD1 2.67Å; K416-D467 PolarHBondContact NZ-OD1 2.97Å; I463-D467 WeakPolarHBondContact O-CB 3.49Å; I463-D467 PolarHBondContact O-N 3.46Å; K464-D467 PolarHBondContact O-N 3.08Å; D467-E469 VanDerWaalsContact C-N 3.3Å |
| 468 | S | 93.8 | Very high | 87.4 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.4 | 172.9 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | K464 F465 V466 G470 K471 E472 | K464-S468 VanDerWaalsContact O-CB 3.25Å; K464-S468 WeakPolarHBondContact O-CB 3.35Å; K464-S468 PolarHBondContact O-N 2.6Å; K464-S468 PolarHBondContact O-OG 2.96Å; F465-S468 PolarHBondContact O-OG 3.35Å; F465-S468 VanDerWaalsContact O-OG 3.06Å; V466-S468 PolarHBondContact O-N 3.02Å; S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 2.91Å; S468-K471 WeakPolarHBondContact O-CB 3.25Å; S468-K471 WeakPolarHBondContact O-CD 3.36Å; S468-K471 VanDerWaalsContact O-CG 3.26Å; S468-K471 WeakPolarHBondContact O-CG 3.13Å; S468-K471 PolarHBondContact O-N 3.14Å; S468-K471 PolarHBondContact OG-N 3.2Å; S468-E472 WeakPolarHBondContact OG-CB 3.49Å; S468-E472 PolarHBondContact OG-N 2.56Å |
| 469 | E | 92.3 | Very high | 84.8 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 39.2 | -178.1 | -56.7 | -178.2 | 168 | 0 | 0 | 113.4 | Y442 F465 V466 D467 | Y442-E469 HydrophobicContact CE1-CB 4.46Å; F465-E469 PolarHBondContact O-N 3.02Å; V466-E469 PolarHBondContact O-N 3.27Å; D467-E469 VanDerWaalsContact C-N 3.3Å |
| 470 | G | 90.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 84.5 | 18 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | F465 S468 A474 | F465-G470 WeakPolarHBondContact CE2-O 3.3Å; F465-G470 WeakPolarHBondContact O-CA 3.19Å; F465-G470 PolarHBondContact O-N 2.83Å; S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 2.91Å; G470-A474 WeakPolarHBondContact O-CB 2.94Å |
| 471 | K | 90.1 | Very high | 79.8 | Confident | 157 Ų | 157 | 65 Ų | 65 | 68% | 0.683 | 37% | 0.368 | S | S | * | . | trans | -93.7 | -50 | -179.4 | -64.3 | 173.7 | -174.8 | 172.3 | 0 | 113.1 | S468 G473 A474 | S468-K471 WeakPolarHBondContact O-CB 3.25Å; S468-K471 WeakPolarHBondContact O-CD 3.36Å; S468-K471 VanDerWaalsContact O-CG 3.26Å; S468-K471 WeakPolarHBondContact O-CG 3.13Å; S468-K471 PolarHBondContact O-N 3.14Å; S468-K471 PolarHBondContact OG-N 3.2Å; K471-G473 PolarHBondContact O-N 2.73Å; K471-A474 PolarHBondContact O-N 3.44Å | ||
| 472 | E | 89.4 | Confident | 77.1 | Confident | 116 Ų | 116 | 69.4 Ų | 69.4 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 108.2 | -177.1 | -72 | -167.9 | -175.3 | 0 | 0 | 111.6 | F465 S468 | F465-E472 WeakPolarHBondContact CA-O 3.18Å; F465-E472 WeakPolarHBondContact CD2-O 3.44Å; S468-E472 WeakPolarHBondContact OG-CB 3.49Å; S468-E472 PolarHBondContact OG-N 2.56Å |
| 473 | G | 86.1 | Confident | 74.7 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 11.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y453 G454 G455 K471 E475 | Y453-G473 WeakPolarHBondContact CD2-O 3.44Å; G454-G473 PolarHBondContact N-O 3.43Å; G455-G473 PolarHBondContact N-O 2.87Å; K471-G473 PolarHBondContact O-N 2.73Å; G473-E475 PolarHBondContact O-N 2.61Å |
| 474 | A | 86.8 | Confident | 72.1 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -55.6 | 136.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | R452 F465 G470 K471 | R452-A474 CarbonylContact O-C 3.53Å; R452-A474 WeakPolarHBondContact O-CA 3.46Å; F465-A474 HydrophobicContact CE2-CB 4.36Å; G470-A474 WeakPolarHBondContact O-CB 2.94Å; K471-A474 PolarHBondContact O-N 3.44Å |
| 475 | E | 81.9 | Confident | 69.6 | Low | 98 Ų | 98 | 75.9 Ų | 75.9 | 46% | 0.458 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 136.5 | 170.1 | -168.3 | 176.8 | -169.5 | 0 | 0 | 108.9 | R452 G473 V477 | R452-E475 HydrophobicContact CB-CB 4.02Å; R452-E475 WeakPolarHBondContact CB-OE2 3.39Å; R452-E475 VanDerWaalsContact CD-OE2 3.26Å; R452-E475 WeakPolarHBondContact CD-OE2 3.42Å; R452-E475 PolarHBondContact O-N 3.01Å; G473-E475 PolarHBondContact O-N 2.61Å; E475-V477 PolarHBondContact O-N 3.45Å; E475-V477 VanDerWaalsContact O-N 3.1Å |
| 476 | A | 63.4 | Low | 67.3 | Low | 98 Ų | 98 | 82.8 Ų | 82.8 | 81% | 0.81 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 116 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 477 | V | 53.5 | Low | 64.9 | Low | 63 Ų | 63 | 90.1 Ų | 90.1 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 134.4 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 107.3 | E475 A481 E482 | E475-V477 PolarHBondContact O-N 3.45Å; E475-V477 VanDerWaalsContact O-N 3.1Å; V477-A481 HydrophobicContact CG1-CB 3.3Å; V477-E482 HydrophobicContact CB-CG 4.23Å; V477-E482 HydrophobicContact CG1-CG 4.17Å |
| 478 | S | 47.1 | Very low | 62.5 | Low | 59 Ų | 59 | 93.3 Ų | 93.3 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -62 | 149.7 | 170.6 | 64.4 | 0 | 0 | 0 | 0 | 109.2 | E480 A481 E482 | S478-E480 PolarHBondContact O-N 3.35Å; S478-A481 PolarHBondContact O-N 2.89Å; S478-E482 PolarHBondContact O-N 3.43Å |
| 479 | P | 42.7 | Very low | 60.2 | Low | 107 Ų | 107 | 99.9 Ų | 99.9 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -54.5 | -25.9 | 179.3 | -24.8 | 32.7 | 0 | 0 | 0 | 113.8 | A483 | P479-A483 PolarHBondContact O-N 3.1Å |
| 480 | E | 44.3 | Very low | 57.7 | Low | 159 Ų | 159 | 102.9 Ų | 102.9 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -34.1 | 178.2 | -71.3 | 153.4 | 165.7 | 0 | 0 | 112.6 | S478 | S478-E480 PolarHBondContact O-N 3.35Å |
| 481 | A | 44.1 | Very low | 55.1 | Low | 36 Ų | 36 | 112.3 Ų | 112.3 | 30% | 0.298 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -85.1 | -25.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V477 S478 A483 E484 Q485 | V477-A481 HydrophobicContact CG1-CB 3.3Å; S478-A481 PolarHBondContact O-N 2.89Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.44Å; A481-E484 PolarHBondContact O-N 3.5Å; A481-Q485 PolarHBondContact O-N 2.96Å |
| 482 | E | 40.5 | Very low | 53.3 | Low | 113 Ų | 113 | 110.1 Ų | 110.1 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -40.5 | 168.6 | -75 | -174.3 | 153.6 | 0 | 0 | 111.3 | V477 S478 E484 Q485 E486 | V477-E482 HydrophobicContact CB-CG 4.23Å; V477-E482 HydrophobicContact CG1-CG 4.17Å; S478-E482 PolarHBondContact O-N 3.43Å; E482-E484 VanDerWaalsContact C-N 3.29Å; E482-E484 PolarHBondContact O-N 3.46Å; E482-Q485 PolarHBondContact O-N 3.46Å; E482-E486 PolarHBondContact O-N 2.83Å |
| 483 | A | 45.6 | Very low | 51.4 | Low | 57 Ų | 57 | 109.8 Ų | 109.8 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.2 | -26.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | P479 A481 | P479-A483 PolarHBondContact O-N 3.1Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.44Å |
| 484 | E | 42.8 | Very low | 49.5 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.7 | -34.2 | 172.4 | -81.3 | -170.8 | 153.7 | 0 | 0 | 112.5 | A481 E482 | A481-E484 PolarHBondContact O-N 3.5Å; E482-E484 VanDerWaalsContact C-N 3.29Å; E482-E484 PolarHBondContact O-N 3.46Å |
| 485 | Q | 42.3 | Very low | 47.3 | Very low | 85 Ų | 85 | 118.1 Ų | 118.1 | 40% | 0.397 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.8 | -43.6 | 176.4 | -79.8 | -174.6 | -17.1 | 0 | 0 | 112.1 | A481 E482 K487 H488 E489 | A481-Q485 PolarHBondContact O-N 2.96Å; E482-Q485 PolarHBondContact O-N 3.46Å; Q485-K487 VanDerWaalsContact C-N 3.31Å; Q485-K487 PolarHBondContact O-N 3.23Å; Q485-H488 PolarHBondContact O-N 2.98Å; Q485-H488 VanDerWaalsContact O-N 3.15Å; Q485-E489 PolarHBondContact O-N 3.35Å |
| 486 | E | 46.6 | Very low | 45.1 | Very low | 145 Ų | 145 | 119.4 Ų | 119.4 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.4 | -35.4 | 179.6 | -74 | -171.4 | 159.7 | 0 | 0 | 112.7 | E482 H488 E489 | E482-E486 PolarHBondContact O-N 2.83Å; E486-H488 PolarHBondContact O-N 3.32Å; E486-E489 PolarHBondContact O-N 2.6Å |
| 487 | K | 45.8 | Very low | 43.9 | Very low | 161 Ų | 161 | 120.8 Ų | 120.8 | 70% | 0.7 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -24.2 | 176.9 | -87.6 | -178.3 | 177.4 | 173.1 | 0 | 114.1 | Q485 | Q485-K487 VanDerWaalsContact C-N 3.31Å; Q485-K487 PolarHBondContact O-N 3.23Å |
| 488 | H | 43.8 | Very low | 43.2 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 66% | 0.662 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -94.5 | -15.2 | -178.2 | -95 | -71.6 | 0 | 0 | 0 | 113.8 | Q485 E486 | Q485-H488 PolarHBondContact O-N 2.98Å; Q485-H488 VanDerWaalsContact O-N 3.15Å; E486-H488 PolarHBondContact O-N 3.32Å |
| 489 | E | 44.2 | Very low | 42.9 | Very low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83.5 | -13.4 | 171.9 | -67.9 | -166.7 | 162.1 | 0 | 0 | 112.9 | Q485 E486 | Q485-E489 PolarHBondContact O-N 3.35Å; E486-E489 PolarHBondContact O-N 2.6Å |
| 490 | E | 40.6 | Very low | 42.9 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -92.5 | 3.6 | 174.6 | -69.5 | -164.9 | 153.8 | 0 | 0 | 115 | ||||
| 491 | L | 34.6 | Very low | 42.8 | Very low | 199 Ų | 199 | 129.5 Ų | 129.5 | 100% | 1.042 | 64% | 0.64 | S | S | * | * | trans | -113.5 | 0 | 175.1 | -75.2 | 169.1 | 0 | 0 | 0 | 111.5 |
Retrieved 491 of 491 residues in 780.1 ms
(Link to these results)