| 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 | 35.5 | Very low | 39.9 | Very low | 234 Ų | 234 | 148.3 Ų | 148.3 | 100% | 1.153 | 80% | 0.801 | S | S | * | * | 0 | 83.4 | 0 | -67 | 173.5 | 165.3 | 0 | 0 | 106.7 | |||||
| 2 | Q | 31.4 | Very low | 40.1 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 46.9 | 104.8 | 71 | -128 | 167.7 | -15.7 | 0 | 0 | 106.3 | |||||
| 3 | W | 37 | Very low | 40.6 | Very low | 240 Ų | 240 | 136.2 Ų | 136.2 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | -140.6 | 138.5 | 76.2 | -70.9 | 6.2 | 0 | 0 | 0 | 113.8 | |||||
| 4 | S | 32.1 | Very low | 40.7 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -77.7 | 128.8 | 160.9 | -17.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 5 | S | 38.6 | Very low | 41 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -130.6 | 67.6 | 168.5 | -55 | 0 | 0 | 0 | 0 | 109.2 | L7 | S5-L7 PolarHBondContact O-N 2.66Š| ||
| 6 | T | 36.8 | Very low | 41.1 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -79.7 | 92.2 | 156.8 | -5.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 7 | L | 42.5 | Very low | 41.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | -117.9 | 89.5 | 169.3 | -152.9 | 80.8 | 0 | 0 | 0 | 108.3 | S5 L9 | S5-L7 PolarHBondContact O-N 2.66Å; L7-L9 HydrophobicContact CD2-CD1 3.49Å; L7-L9 VanDerWaalsContact CD2-CD1 3.49Å; L7-L9 HydrophobicContact CD2-CG 4.04Å; L7-L9 HydrophobicContact CG-CD1 4.15Å; L7-L9 HydrophobicContact CG-CG 4.15Å; L7-L9 PolarHBondContact O-N 3.13Å | ||
| 8 | L | 40.6 | Very low | 41.8 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | trans | -76.8 | 88.5 | 163.5 | -84.3 | 158.9 | 0 | 0 | 0 | 107.5 | ||||
| 9 | L | 48.8 | Very low | 41.7 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 60% | 0.602 | 75% | 0.745 | S | S | * | * | trans | -95.6 | 89.5 | 164.7 | -88.2 | 170.4 | 0 | 0 | 0 | 108.6 | L7 I11 | L7-L9 HydrophobicContact CD2-CD1 3.49Å; L7-L9 VanDerWaalsContact CD2-CD1 3.49Å; L7-L9 HydrophobicContact CD2-CG 4.04Å; L7-L9 HydrophobicContact CG-CD1 4.15Å; L7-L9 HydrophobicContact CG-CG 4.15Å; L7-L9 PolarHBondContact O-N 3.13Å; L9-I11 HydrophobicContact CB-CD1 4.37Å; L9-I11 HydrophobicContact CB-CG1 4.19Å; L9-I11 HydrophobicContact CD1-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CG1 4.15Å; L9-I11 PolarHBondContact O-N 2.81Å | ||
| 10 | A | 40.5 | Very low | 42.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | -72.8 | 76.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G12 | A10-G12 PolarHBondContact O-N 2.73Š| ||
| 11 | I | 55.2 | Low | 42.7 | Very low | 112 Ų | 112 | 129 Ų | 129 | 57% | 0.574 | 72% | 0.724 | S | S | * | * | trans | -78.1 | 104.6 | 167.9 | -64.4 | 171.6 | 0 | 0 | 0 | 105.9 | L9 C13 | L9-I11 HydrophobicContact CB-CD1 4.37Å; L9-I11 HydrophobicContact CB-CG1 4.19Å; L9-I11 HydrophobicContact CD1-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CG1 4.15Å; L9-I11 PolarHBondContact O-N 2.81Å; I11-C13 PolarHBondContact O-N 2.94Å; I11-C13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | G | 42.1 | Very low | 43.6 | Very low | 59 Ų | 59 | 123.2 Ų | 123.2 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | -51.9 | 117 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | A10 L14 | A10-G12 PolarHBondContact O-N 2.73Å; G12-L14 PolarHBondContact O-N 3.21Å | ||
| 13 | C | 46.3 | Very low | 45.2 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 55% | 0.547 | 68% | 0.684 | S | S | . | * | trans | -62.6 | 87.6 | 163.3 | -80.6 | 0 | 0 | 0 | 0 | 108.1 | I11 Q15 | I11-C13 PolarHBondContact O-N 2.94Å; I11-C13 VanDerWaalsContact O-N 3.09Å; C13-Q15 VanDerWaalsContact C-N 3.26Å; C13-Q15 PolarHBondContact O-N 3.22Å | ||
| 14 | L | 42.9 | Very low | 46.9 | Very low | 171 Ų | 171 | 110.1 Ų | 110.1 | 90% | 0.895 | 65% | 0.649 | S | S | * | * | trans | -63.7 | 94.1 | 160.5 | -95.3 | 137.6 | 0 | 0 | 0 | 107 | G12 A16 | G12-L14 PolarHBondContact O-N 3.21Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 3.26Å | ||
| 15 | Q | 45.2 | Very low | 49.3 | Very low | 151 Ų | 151 | 109.3 Ų | 109.3 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -72.3 | 90.8 | 164.3 | -66.7 | -150.7 | -33.3 | 0 | 0 | 107.5 | C13 T17 | C13-Q15 VanDerWaalsContact C-N 3.26Å; C13-Q15 PolarHBondContact O-N 3.22Å; Q15-T17 PolarHBondContact O-N 2.91Å; Q15-T17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | A | 42.4 | Very low | 51.5 | Low | 80 Ų | 80 | 105.4 Ų | 105.4 | 66% | 0.661 | 60% | 0.604 | S | S | * | * | trans | -74.5 | 87.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107 | L14 I18 | L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 3.26Å; A16-I18 HydrophobicContact CB-CG1 4.15Å; A16-I18 PolarHBondContact O-N 2.9Å | ||
| 17 | T | 45.3 | Very low | 53.7 | Low | 117 Ų | 117 | 103 Ų | 103 | 72% | 0.718 | 59% | 0.593 | S | S | * | * | trans | -69.3 | 85 | 164.5 | 16.7 | 0 | 0 | 0 | 0 | 107.6 | Q15 I19 | Q15-T17 PolarHBondContact O-N 2.91Å; Q15-T17 VanDerWaalsContact O-N 3.1Å; T17-I19 PolarHBondContact O-N 3.3Å | ||
| 18 | I | 48.9 | Very low | 55.8 | Low | 83 Ų | 83 | 99.6 Ų | 99.6 | 43% | 0.426 | 58% | 0.575 | S | S | . | * | trans | -80.1 | 104 | 175 | -44.2 | 170.8 | 0 | 0 | 0 | 107.9 | A16 F20 | A16-I18 HydrophobicContact CB-CG1 4.15Å; A16-I18 PolarHBondContact O-N 2.9Å; I18-F20 VanDerWaalsContact C-N 3.28Å; I18-F20 HydrophobicContact CB-CD2 3.47Å; I18-F20 VanDerWaalsContact CB-CD2 3.47Å; I18-F20 HydrophobicContact CB-CE2 3.46Å; I18-F20 VanDerWaalsContact CB-CE2 3.46Å; I18-F20 HydrophobicContact CB-CG 4.36Å; I18-F20 HydrophobicContact CB-CZ 4.31Å; I18-F20 HydrophobicContact CD1-CD2 4.4Å; I18-F20 HydrophobicContact CD1-CE2 3.59Å; I18-F20 HydrophobicContact CD1-CZ 4.29Å; I18-F20 HydrophobicContact CG1-CE2 4.1Å; I18-F20 HydrophobicContact CG2-CD1 4.13Å; I18-F20 HydrophobicContact CG2-CD2 3.23Å; I18-F20 HydrophobicContact CG2-CE1 3.97Å; I18-F20 HydrophobicContact CG2-CE2 3.06Å; I18-F20 HydrophobicContact CG2-CG 3.77Å; I18-F20 HydrophobicContact CG2-CZ 3.44Å; I18-F20 VanDerWaalsContact CG2-CZ 3.44Å; I18-F20 PolarHBondContact O-N 3.42Å | ||
| 19 | I | 40.6 | Very low | 58.2 | Low | 152 Ų | 152 | 95.6 Ų | 95.6 | 78% | 0.779 | 55% | 0.55 | S | S | * | * | trans | -66.8 | 87.2 | 172.7 | -57.6 | 173.6 | 0 | 0 | 0 | 107.5 | T17 | T17-I19 PolarHBondContact O-N 3.3Š| ||
| 20 | F | 52.9 | Low | 60.3 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | trans | -99.2 | 5.5 | -173.7 | -95.5 | -55.7 | 0 | 0 | 0 | 115.2 | I18 D22 S24 | I18-F20 VanDerWaalsContact C-N 3.28Å; I18-F20 HydrophobicContact CB-CD2 3.47Å; I18-F20 VanDerWaalsContact CB-CD2 3.47Å; I18-F20 HydrophobicContact CB-CE2 3.46Å; I18-F20 VanDerWaalsContact CB-CE2 3.46Å; I18-F20 HydrophobicContact CB-CG 4.36Å; I18-F20 HydrophobicContact CB-CZ 4.31Å; I18-F20 HydrophobicContact CD1-CD2 4.4Å; I18-F20 HydrophobicContact CD1-CE2 3.59Å; I18-F20 HydrophobicContact CD1-CZ 4.29Å; I18-F20 HydrophobicContact CG1-CE2 4.1Å; I18-F20 HydrophobicContact CG2-CD1 4.13Å; I18-F20 HydrophobicContact CG2-CD2 3.23Å; I18-F20 HydrophobicContact CG2-CE1 3.97Å; I18-F20 HydrophobicContact CG2-CE2 3.06Å; I18-F20 HydrophobicContact CG2-CG 3.77Å; I18-F20 HydrophobicContact CG2-CZ 3.44Å; I18-F20 VanDerWaalsContact CG2-CZ 3.44Å; I18-F20 PolarHBondContact O-N 3.42Å; F20-D22 PolarHBondContact O-N 3.45Å; F20-S24 WeakPolarHBondContact O-CB 3.21Å; F20-S24 PolarHBondContact O-N 2.8Å; F20-S24 PolarHBondContact O-OG 2.87Å | ||
| 21 | S | 51.6 | Low | 62.9 | Low | 90 Ų | 90 | 90.1 Ų | 90.1 | 63% | 0.629 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33 | -161.3 | 71.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 22 | D | 53.7 | Low | 64.8 | Low | 113 Ų | 113 | 86.9 Ų | 86.9 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -19.8 | -178.4 | -97.7 | -9.9 | 0 | 0 | 0 | 115.2 | F20 K25 | F20-D22 PolarHBondContact O-N 3.45Å; D22-K25 WeakPolarHBondContact OD1-CE 3.14Å; D22-K25 IonicContact OD1-NZ 3.71Å; D22-K25 PolarHBondContact OD1-NZ 3.29Å |
| 23 | E | 64.7 | Low | 67.2 | Low | 111 Ų | 111 | 84.4 Ų | 84.4 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.6 | 175.6 | -61.3 | -163.2 | 152.6 | 0 | 0 | 113.3 | F154 | E23-F154 WeakPolarHBondContact O-CE2 3.4Š|
| 24 | S | 72.4 | Confident | 69.5 | Low | 27 Ų | 27 | 83.9 Ų | 83.9 | 19% | 0.189 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.5 | -176.1 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | F20 F154 K203 A204 | F20-S24 WeakPolarHBondContact O-CB 3.21Å; F20-S24 PolarHBondContact O-N 2.8Å; F20-S24 PolarHBondContact O-OG 2.87Å; S24-F154 WeakPolarHBondContact O-CZ 3.44Å; S24-K203 CarbonylContact O-C 3.58Å; S24-K203 WeakPolarHBondContact O-CA 3.01Å; S24-K203 WeakPolarHBondContact O-CB 3.08Å; S24-A204 PolarHBondContact O-N 3.31Å; S24-A204 VanDerWaalsContact O-N 3.12Å |
| 25 | K | 84.1 | Confident | 71.8 | Confident | 89 Ų | 89 | 79.8 Ų | 79.8 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.3 | 179.2 | 66.3 | -169.1 | 174.9 | -164.5 | 0 | 112.1 | D22 Y197 K203 | D22-K25 WeakPolarHBondContact OD1-CE 3.14Å; D22-K25 IonicContact OD1-NZ 3.71Å; D22-K25 PolarHBondContact OD1-NZ 3.29Å; K25-Y197 HydrophobicContact CB-CD1 4.38Å; K25-Y197 HydrophobicContact CD-CE1 4.33Å; K25-K203 HydrophobicContact CB-CB 4.35Å |
| 26 | V | 85.3 | Confident | 73.8 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 15% | 0.145 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.7 | 172.3 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | F154 F156 A169 G201 I202 | V26-F154 HydrophobicContact CB-CD2 3.8Å; V26-F154 HydrophobicContact CB-CE2 3.84Å; V26-F154 HydrophobicContact CB-CG 4.31Å; V26-F154 HydrophobicContact CB-CZ 4.38Å; V26-F154 HydrophobicContact CG1-CB 4.21Å; V26-F154 HydrophobicContact CG1-CD1 3.95Å; V26-F154 HydrophobicContact CG1-CD2 3.67Å; V26-F154 HydrophobicContact CG1-CE1 4.23Å; V26-F154 HydrophobicContact CG1-CE2 3.97Å; V26-F154 HydrophobicContact CG1-CG 3.65Å; V26-F154 HydrophobicContact CG1-CZ 4.24Å; V26-F156 HydrophobicContact CB-CZ 4.13Å; V26-F156 HydrophobicContact CG1-CE1 4.08Å; V26-F156 HydrophobicContact CG1-CZ 3.59Å; V26-F156 HydrophobicContact CG2-CE1 4.16Å; V26-F156 HydrophobicContact CG2-CZ 3.56Å; V26-A169 HydrophobicContact CG1-CB 4.18Å; V26-G201 WeakPolarHBondContact O-CA 3.29Å; V26-I202 HydrophobicContact CG1-CG1 3.88Å; V26-I202 PolarHBondContact N-O 3.18Å; V26-I202 VanDerWaalsContact N-O 3.12Å; V26-I202 PolarHBondContact O-N 2.89Å |
| 27 | S | 81.9 | Confident | 76 | Confident | 81 Ų | 81 | 73.5 Ų | 73.5 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | trans | -105.3 | 161.1 | 178.6 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 28 | L | 86.9 | Confident | 77.6 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | trans | -63.9 | 136 | 174 | -164.3 | 79.1 | 0 | 0 | 0 | 110.4 | I166 | L28-I166 HydrophobicContact CD1-CG2 3.37Å; L28-I166 HydrophobicContact CD2-CG2 3.86Å; L28-I166 HydrophobicContact CG-CG2 3.6Å | ||
| 29 | K | 90.4 | Very high | 78.7 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.2 | 165.3 | -63.6 | -163.7 | -174.6 | -174.9 | 0 | 109.8 | S116 F117 I166 Q167 | K29-S116 WeakPolarHBondContact CD-OG 3.45Å; K29-S116 PolarHBondContact NZ-OG 3.42Å; K29-F117 HydrophobicContact CB-CZ 4.32Å; K29-I166 CarbonylContact O-C 3.51Å; K29-I166 WeakPolarHBondContact O-CA 3.43Å; K29-Q167 HydrophobicContact CB-CB 4.4Å; K29-Q167 HydrophobicContact CB-CG 4.48Å; K29-Q167 PolarHBondContact O-N 2.97Å |
| 30 | S | 93.1 | Very high | 80.1 | Confident | 72 Ų | 72 | 69 Ų | 69 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.5 | 176.7 | 57 | 0 | 0 | 0 | 0 | 110.7 | V165 | S30-V165 CarbonylContact C-O 3.49Å; S30-V165 VanDerWaalsContact CA-O 3.24Å; S30-V165 WeakPolarHBondContact CA-O 3.09Å |
| 31 | S | 94.9 | Very high | 81 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 164.9 | 169.7 | -162.6 | 0 | 0 | 0 | 0 | 110.8 | F117 Y119 I132 T164 V165 | S31-F117 VanDerWaalsContact CB-CE2 3.44Å; S31-Y119 WeakPolarHBondContact CB-OH 3.2Å; S31-Y119 PolarHBondContact OG-OH 2.86Å; S31-I132 VanDerWaalsContact C-CD1 3.46Å; S31-I132 WeakPolarHBondContact O-CD1 3.35Å; S31-T164 CarbonylContact O-C 3.52Å; S31-T164 VanDerWaalsContact O-CA 3.29Å; S31-T164 WeakPolarHBondContact O-CA 3.18Å; S31-T164 WeakPolarHBondContact O-CG2 3.29Å; S31-V165 PolarHBondContact N-O 3.37Å; S31-V165 PolarHBondContact O-N 3.35Å |
| 32 | S | 94.6 | Very high | 82.2 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.4 | -174 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | Y34 Y119 N163 | S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.42Å; S32-Y119 PolarHBondContact O-OH 2.96Å; S32-N163 CarbonylContact C-O 3.43Å; S32-N163 WeakPolarHBondContact CA-O 3.35Å |
| 33 | S | 93.2 | Very high | 83.1 | Confident | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | trans | -88.1 | 154 | 167.2 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | L130 I132 N163 | S33-L130 WeakPolarHBondContact CA-O 3.5Å; S33-I132 PolarHBondContact OG-N 3.27Å; S33-N163 PolarHBondContact N-O 3.02Å; S33-N163 PolarHBondContact OG-O 3.06Å | ||
| 34 | Y | 93.7 | Very high | 83.7 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 28% | 0.275 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.5 | -177.3 | -54.1 | -85.7 | 0 | 0 | 0 | 110.6 | S32 Y79 S129 L130 | S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.42Å; Y34-Y79 HydrophobicContact CD1-CD1 4.17Å; Y34-Y79 AromaticContact CD1-CD2 3.86Å; Y34-Y79 HydrophobicContact CD1-CD2 3.86Å; Y34-Y79 AromaticContact CD1-CE1 3.91Å; Y34-Y79 HydrophobicContact CD1-CE1 3.91Å; Y34-Y79 AromaticContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CG 4.15Å; Y34-Y79 AromaticContact CD1-CZ 3.62Å; Y34-Y79 AromaticContact CD2-CD1 3.89Å; Y34-Y79 HydrophobicContact CD2-CD1 3.89Å; Y34-Y79 AromaticContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CG 4.37Å; Y34-Y79 HydrophobicContact CE1-CD1 4.34Å; Y34-Y79 HydrophobicContact CE1-CD2 4.36Å; Y34-Y79 AromaticContact CE1-CE1 3.63Å; Y34-Y79 HydrophobicContact CE1-CE1 3.63Å; Y34-Y79 AromaticContact CE1-CE2 3.67Å; Y34-Y79 HydrophobicContact CE1-CE2 3.67Å; Y34-Y79 AromaticContact CE1-CZ 3.25Å; Y34-Y79 VanDerWaalsContact CE1-OH 3.31Å; Y34-Y79 WeakPolarHBondContact CE1-OH 3.26Å; Y34-Y79 HydrophobicContact CE2-CD1 4.07Å; Y34-Y79 AromaticContact CE2-CE1 3.68Å; Y34-Y79 HydrophobicContact CE2-CE1 3.68Å; Y34-Y79 AromaticContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD2 4.14Å; Y34-Y79 HydrophobicContact CG-CE1 4.06Å; Y34-Y79 HydrophobicContact CG-CE2 4.26Å; Y34-Y79 AromaticContact CG-CG 3.98Å; Y34-Y79 HydrophobicContact CG-CG 3.98Å; Y34-Y79 AromaticContact CZ-CE1 3.5Å; Y34-Y79 VanDerWaalsContact CZ-CE1 3.5Å; Y34-Y79 AromaticContact CZ-CZ 3.57Å; Y34-S129 CarbonylContact O-C 3.59Å; Y34-S129 VanDerWaalsContact O-CA 3.28Å; Y34-S129 WeakPolarHBondContact O-CA 3.49Å; Y34-L130 HydrophobicContact CD2-CD2 4.31Å; Y34-L130 PolarHBondContact N-O 2.04Å; Y34-L130 PolarHBondContact O-N 2.9Å |
| 35 | H | 91.5 | Very high | 84.3 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 39% | 0.394 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.3 | -173.7 | -55.2 | -80.2 | 0 | 0 | 0 | 110.6 | S129 E131 N163 | H35-S129 WeakPolarHBondContact ND1-CB 3.29Å; H35-E131 IonicContact CE1-OE1 2.66Å; H35-N163 PolarHBondContact NE2-OD1 2.95Å |
| 36 | Y | 88.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 113.5 | 171.3 | -167.6 | -74.2 | 0 | 0 | 0 | 109.9 | F80 L82 P96 A127 I128 | Y36-F80 AromaticContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CE2 4.39Å; Y36-F80 HydrophobicContact CG-CD2 4.28Å; Y36-L82 HydrophobicContact CD1-CD2 4.47Å; Y36-L82 HydrophobicContact CD2-CD2 4.07Å; Y36-L82 HydrophobicContact CE1-CD2 4.17Å; Y36-L82 HydrophobicContact CE2-CD1 3.9Å; Y36-L82 HydrophobicContact CE2-CD2 3.74Å; Y36-L82 HydrophobicContact CE2-CG 4.49Å; Y36-L82 HydrophobicContact CG-CD2 4.42Å; Y36-P96 HydrophobicContact CD1-CB 4.31Å; Y36-P96 VanDerWaalsContact CD1-CD 3.49Å; Y36-P96 HydrophobicContact CD1-CG 3.48Å; Y36-P96 VanDerWaalsContact CD1-CG 3.48Å; Y36-P96 HydrophobicContact CE1-CG 4.12Å; Y36-P96 HydrophobicContact CG-CG 4.04Å; Y36-A127 VanDerWaalsContact O-CA 3.25Å; Y36-A127 WeakPolarHBondContact O-CA 3.3Å; Y36-A127 WeakPolarHBondContact O-CB 3.28Å; Y36-I128 PolarHBondContact N-O 3.03Å; Y36-I128 PolarHBondContact O-N 2.74Å |
| 37 | S | 86.7 | Confident | 84.8 | Confident | 55 Ų | 55 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.5 | 177 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | S39 | S37-S39 PolarHBondContact O-N 3.43Å; S37-S39 WeakPolarHBondContact OG-CB 3.44Å; S37-S39 PolarHBondContact OG-N 3Å; S37-S39 PolarHBondContact OG-OG 3.34Å |
| 38 | Y | 80.7 | Confident | 85.2 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 10% | 0.102 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6.2 | 167.7 | -61 | -55.4 | 0 | 0 | 0 | 112.1 | K40 K93 V95 P96 Q123 G126 A127 | Y38-K40 PolarHBondContact O-N 3.49Å; Y38-K93 WeakPolarHBondContact O-CE 3.13Å; Y38-K93 PolarHBondContact O-NZ 2.95Å; Y38-V95 HydrophobicContact CD1-CG1 4.09Å; Y38-V95 HydrophobicContact CE1-CG1 3.69Å; Y38-P96 HydrophobicContact CD1-CG 3.9Å; Y38-P96 HydrophobicContact CE1-CG 3.33Å; Y38-Q123 PolarHBondContact OH-NE2 3.08Å; Y38-G126 VanDerWaalsContact CB-O 3.28Å; Y38-G126 WeakPolarHBondContact CB-O 3.27Å; Y38-G126 VanDerWaalsContact CD2-O 3.23Å; Y38-G126 WeakPolarHBondContact CD2-O 3.13Å; Y38-G126 PolarHBondContact N-O 2.75Å; Y38-A127 VanDerWaalsContact CE2-C 3.42Å; Y38-A127 WeakPolarHBondContact CE2-O 3.33Å |
| 39 | S | 70.4 | Confident | 85.4 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9 | -172.3 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | S37 I41 | S37-S39 PolarHBondContact O-N 3.43Å; S37-S39 WeakPolarHBondContact OG-CB 3.44Å; S37-S39 PolarHBondContact OG-N 3Å; S37-S39 PolarHBondContact OG-OG 3.34Å; S39-I41 PolarHBondContact O-N 3.3Å; S39-I41 VanDerWaalsContact O-N 3.09Å |
| 40 | K | 70.2 | Confident | 85.3 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | trans | -78.5 | 94.6 | 177.1 | -66.4 | -172.6 | 178.5 | -173.5 | 0 | 110.9 | Y38 | Y38-K40 PolarHBondContact O-N 3.49Š| ||
| 41 | I | 71.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | trans | -86.9 | 125.7 | 162 | -60.2 | 174.6 | 0 | 0 | 0 | 106.8 | S39 V43 A91 | S39-I41 PolarHBondContact O-N 3.3Å; S39-I41 VanDerWaalsContact O-N 3.09Å; I41-V43 HydrophobicContact CG2-CG2 4.47Å; I41-A91 HydrophobicContact CG2-CB 3.96Å | ||
| 42 | E | 76.8 | Confident | 84.8 | Confident | 26 Ų | 26 | 80 Ų | 80 | 12% | 0.121 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -115.1 | 100.1 | -174.4 | -62.1 | 178.1 | 152.3 | 0 | 0 | 108.8 | R45 V92 | E42-R45 HydrophobicContact CB-CB 3.95Å; E42-R45 HydrophobicContact CB-CG 4.2Å; E42-R45 IonicContact OE1-CZ 2.57Å; E42-R45 IonicContact OE1-NE 2.67Å; E42-R45 IonicContact OE1-NH1 3.63Å; E42-R45 PolarHBondContact OE1-NH1 3.02Å; E42-R45 WeakPolarHBondContact OE2-CD 3.14Å; E42-R45 IonicContact OE2-NH1 3.26Å; E42-V92 PolarHBondContact N-O 2.78Å; E42-V92 VanDerWaalsContact N-O 3.13Å; E42-V92 PolarHBondContact O-N 2.77Å |
| 43 | V | 73.2 | Confident | 84.3 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -77.8 | -26.7 | -180 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | I41 V46 A91 | I41-V43 HydrophobicContact CG2-CG2 4.47Å; V43-V46 WeakPolarHBondContact O-CG2 3.13Å; V43-A91 HydrophobicContact CG2-CB 4.33Å |
| 44 | E | 78.3 | Confident | 84 | Confident | 187 Ų | 187 | 91.5 Ų | 91.5 | 87% | 0.874 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -88.1 | -19.8 | -178 | -64.5 | -176.9 | 165.8 | 0 | 0 | 113.6 | V46 | E44-V46 VanDerWaalsContact C-N 3.26Å; E44-V46 PolarHBondContact O-N 3.14Å |
| 45 | R | 84.6 | Confident | 83.6 | Confident | 84 Ų | 84 | 95.5 Ų | 95.5 | 32% | 0.317 | 45% | 0.447 | S | S | . | . | trans | -95.9 | 36.4 | -174.2 | -60.4 | -171.6 | -173 | -171.7 | -18.6 | 112.8 | E42 C61 I62 D64 V92 | E42-R45 HydrophobicContact CB-CB 3.95Å; E42-R45 HydrophobicContact CB-CG 4.2Å; E42-R45 IonicContact OE1-CZ 2.57Å; E42-R45 IonicContact OE1-NE 2.67Å; E42-R45 IonicContact OE1-NH1 3.63Å; E42-R45 PolarHBondContact OE1-NH1 3.02Å; E42-R45 WeakPolarHBondContact OE2-CD 3.14Å; E42-R45 IonicContact OE2-NH1 3.26Å; R45-C61 CarbonylContact O-C 3.6Å; R45-C61 WeakPolarHBondContact O-CA 3.36Å; R45-I62 PolarHBondContact O-N 2.03Å; R45-D64 IonicContact CZ-OD1 2.61Å; R45-D64 IonicContact NH1-OD1 3.75Å; R45-D64 PolarHBondContact NH1-OD1 3.09Å; R45-D64 IonicContact NH1-OD2 2.87Å; R45-D64 IonicContact NH2-OD1 2.66Å; R45-D64 PolarHBondContact NH2-OD1 3.01Å; R45-V92 WeakPolarHBondContact O-CG2 3.44Å | ||
| 46 | V | 87.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 94.4 Ų | 94.4 | 1% | 0.012 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.6 | -179.9 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | V43 E44 W48 A58 I62 T90 V92 | V43-V46 WeakPolarHBondContact O-CG2 3.13Å; E44-V46 VanDerWaalsContact C-N 3.26Å; E44-V46 PolarHBondContact O-N 3.14Å; V46-W48 HydrophobicContact CB-CZ2 4.07Å; V46-W48 HydrophobicContact CG1-CD2 4.05Å; V46-W48 HydrophobicContact CG1-CG 4.44Å; V46-W48 HydrophobicContact CG1-CH2 4.39Å; V46-W48 HydrophobicContact CG1-CZ2 3.74Å; V46-W48 PolarHBondContact O-NE1 3.19Å; V46-A58 HydrophobicContact CG1-CB 3.42Å; V46-A58 VanDerWaalsContact CG1-CB 3.42Å; V46-I62 WeakPolarHBondContact O-CD1 3.46Å; V46-T90 WeakPolarHBondContact CG2-O 3.47Å; V46-V92 HydrophobicContact CB-CG1 4.39Å; V46-V92 HydrophobicContact CG1-CG1 4.03Å; V46-V92 HydrophobicContact CG2-CB 4.45Å; V46-V92 HydrophobicContact CG2-CG1 3.96Å; V46-V92 HydrophobicContact CG2-CG2 3.94Å |
| 47 | F | 92.4 | Very high | 83.4 | Confident | 61 Ų | 61 | 95.2 Ų | 95.2 | 27% | 0.268 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.4 | 171.2 | -177.9 | -146.6 | 0 | 0 | 0 | 109 | I59 G60 I62 S68 L70 | F47-I59 HydrophobicContact CB-CG1 4.46Å; F47-I59 HydrophobicContact CD1-CD1 3.69Å; F47-I59 HydrophobicContact CD1-CG1 3.63Å; F47-I59 HydrophobicContact CE1-CD1 3.46Å; F47-I59 VanDerWaalsContact CE1-CD1 3.46Å; F47-I59 HydrophobicContact CE1-CG1 3.97Å; F47-I59 HydrophobicContact CE2-CD1 4.39Å; F47-I59 HydrophobicContact CG-CD1 4.26Å; F47-I59 HydrophobicContact CG-CG1 3.99Å; F47-I59 HydrophobicContact CZ-CD1 3.84Å; F47-I59 VanDerWaalsContact O-CG1 3.29Å; F47-I59 WeakPolarHBondContact O-CG1 3.43Å; F47-I59 PolarHBondContact O-N 2.84Å; F47-G60 PolarHBondContact N-O 2.88Å; F47-G60 PolarHBondContact O-N 2.74Å; F47-I62 HydrophobicContact CB-CG1 3.89Å; F47-S68 WeakPolarHBondContact CE1-OG 3.29Å; F47-L70 HydrophobicContact CD1-CD2 4.36Å; F47-L70 HydrophobicContact CE1-CD2 4.17Å |
| 48 | W | 90.4 | Very high | 83.7 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 16% | 0.163 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.2 | -175.7 | -64.4 | 92.9 | 0 | 0 | 0 | 111.4 | V46 Y50 R55 A58 D89 T90 | V46-W48 HydrophobicContact CB-CZ2 4.07Å; V46-W48 HydrophobicContact CG1-CD2 4.05Å; V46-W48 HydrophobicContact CG1-CG 4.44Å; V46-W48 HydrophobicContact CG1-CH2 4.39Å; V46-W48 HydrophobicContact CG1-CZ2 3.74Å; V46-W48 PolarHBondContact O-NE1 3.19Å; W48-Y50 HydrophobicContact CB-CD2 4.4Å; W48-Y50 HydrophobicContact CB-CE2 3.83Å; W48-Y50 WeakPolarHBondContact O-CD2 3.33Å; W48-R55 HydrophobicContact CB-CB 4.44Å; W48-R55 HydrophobicContact CB-CG 4.11Å; W48-R55 HydrophobicContact CD2-CB 4.26Å; W48-R55 HydrophobicContact CD2-CG 4.33Å; W48-R55 HydrophobicContact CE3-CB 4.13Å; W48-R55 HydrophobicContact CG-CB 4.4Å; W48-R55 HydrophobicContact CG-CG 4.05Å; W48-A58 HydrophobicContact CE3-CB 4.29Å; W48-A58 HydrophobicContact CH2-CB 4.4Å; W48-A58 HydrophobicContact CZ3-CB 4.11Å; W48-D89 WeakPolarHBondContact CH2-O 3.41Å; W48-T90 HydrophobicContact CH2-CG2 4.21Å |
| 49 | K | 91.2 | Very high | 84.3 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138.5 | 160.3 | -167 | -173.7 | -176.8 | -156 | 0 | 108.7 | E51 T56 V57 I59 | K49-E51 WeakPolarHBondContact CE-OE1 3.21Å; K49-E51 IonicContact NZ-OE1 3.1Å; K49-E51 PolarHBondContact NZ-OE1 2.65Å; K49-T56 PolarHBondContact O-N 3.45Å; K49-T56 PolarHBondContact O-OG1 3.3Å; K49-T56 VanDerWaalsContact O-OG1 3.13Å; K49-V57 HydrophobicContact CB-CG1 3.94Å; K49-V57 HydrophobicContact CD-CG1 4.19Å; K49-V57 PolarHBondContact N-O 3.37Å; K49-I59 HydrophobicContact CB-CD1 4.2Å; K49-I59 HydrophobicContact CB-CG2 3.84Å |
| 50 | Y | 87.3 | Confident | 85.5 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.5 | 176 | -69.7 | -97.4 | 0 | 0 | 0 | 110.2 | W48 T54 R55 | W48-Y50 HydrophobicContact CB-CD2 4.4Å; W48-Y50 HydrophobicContact CB-CE2 3.83Å; W48-Y50 WeakPolarHBondContact O-CD2 3.33Å; Y50-T54 WeakPolarHBondContact CA-O 3.3Å; Y50-R55 HydrophobicContact CD1-CG 4.09Å; Y50-R55 HydrophobicContact CE1-CB 4.4Å; Y50-R55 HydrophobicContact CE1-CG 3.35Å; Y50-R55 PolarHBondContact OH-NE 3.13Å; Y50-R55 VanDerWaalsContact OH-NE 3.08Å |
| 51 | E | 88.9 | Confident | 86.6 | Confident | 98 Ų | 98 | 82.7 Ų | 82.7 | 46% | 0.458 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.5 | 169.3 | -61.3 | 178.9 | -179.4 | 0 | 0 | 107.8 | K49 K53 T54 T56 | K49-E51 WeakPolarHBondContact CE-OE1 3.21Å; K49-E51 IonicContact NZ-OE1 3.1Å; K49-E51 PolarHBondContact NZ-OE1 2.65Å; E51-K53 PolarHBondContact O-N 3.09Å; E51-K53 VanDerWaalsContact O-N 3.14Å; E51-T54 PolarHBondContact N-O 2.88Å; E51-T54 PolarHBondContact O-N 2.9Å; E51-T56 HydrophobicContact CB-CG2 3.68Å; E51-T56 HydrophobicContact CG-CG2 3.86Å |
| 52 | K | 89.5 | Confident | 87.6 | Confident | 208 Ų | 208 | 80.8 Ų | 80.8 | 90% | 0.904 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38.3 | -175.5 | -57.5 | -179.3 | -179.7 | 178.4 | 0 | 113.6 | T54 | K52-T54 PolarHBondContact O-N 3.07Š|
| 53 | K | 83.7 | Confident | 88.3 | Confident | 201 Ų | 201 | 80 Ų | 80 | 87% | 0.874 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 9.6 | -177.4 | -54.7 | 178.5 | 177.4 | 178.6 | 0 | 115.5 | E51 | E51-K53 PolarHBondContact O-N 3.09Å; E51-K53 VanDerWaalsContact O-N 3.14Å |
| 54 | T | 85.8 | Confident | 88.9 | Confident | 91 Ų | 91 | 82 Ų | 82 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.3 | 175 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | Y50 E51 K52 T56 | Y50-T54 WeakPolarHBondContact CA-O 3.3Å; E51-T54 PolarHBondContact N-O 2.88Å; E51-T54 PolarHBondContact O-N 2.9Å; K52-T54 PolarHBondContact O-N 3.07Å; T54-T56 PolarHBondContact O-N 2.74Å |
| 55 | R | 85.2 | Confident | 89.5 | Confident | 155 Ų | 155 | 76.6 Ų | 76.6 | 59% | 0.585 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 118.3 | 171.2 | -69.3 | -179.8 | -179.1 | 173.5 | 1.8 | 108.5 | W48 Y50 | W48-R55 HydrophobicContact CB-CB 4.44Å; W48-R55 HydrophobicContact CB-CG 4.11Å; W48-R55 HydrophobicContact CD2-CB 4.26Å; W48-R55 HydrophobicContact CD2-CG 4.33Å; W48-R55 HydrophobicContact CE3-CB 4.13Å; W48-R55 HydrophobicContact CG-CB 4.4Å; W48-R55 HydrophobicContact CG-CG 4.05Å; Y50-R55 HydrophobicContact CD1-CG 4.09Å; Y50-R55 HydrophobicContact CE1-CB 4.4Å; Y50-R55 HydrophobicContact CE1-CG 3.35Å; Y50-R55 PolarHBondContact OH-NE 3.13Å; Y50-R55 VanDerWaalsContact OH-NE 3.08Å |
| 56 | T | 87.6 | Confident | 89.8 | Confident | 62 Ų | 62 | 75.3 Ų | 75.3 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -56.4 | -177.2 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | K49 E51 T54 | K49-T56 PolarHBondContact O-N 3.45Å; K49-T56 PolarHBondContact O-OG1 3.3Å; K49-T56 VanDerWaalsContact O-OG1 3.13Å; E51-T56 HydrophobicContact CB-CG2 3.68Å; E51-T56 HydrophobicContact CG-CG2 3.86Å; T54-T56 PolarHBondContact O-N 2.74Å |
| 57 | V | 90 | Very high | 90 | Very high | 61 Ų | 61 | 80.7 Ų | 80.7 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 139.2 | -175.5 | 71.9 | 0 | 0 | 0 | 0 | 110.7 | K49 I59 | K49-V57 HydrophobicContact CB-CG1 3.94Å; K49-V57 HydrophobicContact CD-CG1 4.19Å; K49-V57 PolarHBondContact N-O 3.37Å; V57-I59 HydrophobicContact CG1-CG2 3.84Å; V57-I59 PolarHBondContact O-N 2.82Å |
| 58 | A | 91.5 | Very high | 90 | Very high | 5 Ų | 5 | 80.5 Ų | 80.5 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 131 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | V46 W48 F71 D89 | V46-A58 HydrophobicContact CG1-CB 3.42Å; V46-A58 VanDerWaalsContact CG1-CB 3.42Å; W48-A58 HydrophobicContact CE3-CB 4.29Å; W48-A58 HydrophobicContact CH2-CB 4.4Å; W48-A58 HydrophobicContact CZ3-CB 4.11Å; A58-F71 HydrophobicContact CB-CE2 4.28Å; A58-F71 HydrophobicContact CB-CZ 3.97Å; A58-F71 WeakPolarHBondContact O-CE2 3.44Å; A58-D89 WeakPolarHBondContact CB-O 3.08Å |
| 59 | I | 94.5 | Very high | 90.2 | Very high | 46 Ų | 46 | 79.2 Ų | 79.2 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | -8.9 | 179.5 | 55.6 | 170.7 | 0 | 0 | 0 | 112.8 | F47 K49 V57 L70 F71 | F47-I59 HydrophobicContact CB-CG1 4.46Å; F47-I59 HydrophobicContact CD1-CD1 3.69Å; F47-I59 HydrophobicContact CD1-CG1 3.63Å; F47-I59 HydrophobicContact CE1-CD1 3.46Å; F47-I59 VanDerWaalsContact CE1-CD1 3.46Å; F47-I59 HydrophobicContact CE1-CG1 3.97Å; F47-I59 HydrophobicContact CE2-CD1 4.39Å; F47-I59 HydrophobicContact CG-CD1 4.26Å; F47-I59 HydrophobicContact CG-CG1 3.99Å; F47-I59 HydrophobicContact CZ-CD1 3.84Å; F47-I59 VanDerWaalsContact O-CG1 3.29Å; F47-I59 WeakPolarHBondContact O-CG1 3.43Å; F47-I59 PolarHBondContact O-N 2.84Å; K49-I59 HydrophobicContact CB-CD1 4.2Å; K49-I59 HydrophobicContact CB-CG2 3.84Å; V57-I59 HydrophobicContact CG1-CG2 3.84Å; V57-I59 PolarHBondContact O-N 2.82Å; I59-L70 HydrophobicContact CB-CD2 4.5Å; I59-L70 HydrophobicContact CD1-CD2 4.34Å; I59-L70 WeakPolarHBondContact O-CA 3.41Å; I59-F71 VanDerWaalsContact C-CE2 3.48Å; I59-F71 WeakPolarHBondContact O-CD2 3.28Å; I59-F71 PolarHBondContact O-N 3.04Å |
| 60 | G | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | -165.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F47 L69 C84 | F47-G60 PolarHBondContact N-O 2.88Å; F47-G60 PolarHBondContact O-N 2.74Å; G60-L69 CarbonylContact C-O 3.45Å; G60-L69 WeakPolarHBondContact CA-O 2.96Å; G60-C84 VanDerWaalsContact C-SG 3.53Å |
| 61 | C | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.8 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 109.4 | R45 S68 L69 C84 V92 L94 | R45-C61 CarbonylContact O-C 3.6Å; R45-C61 WeakPolarHBondContact O-CA 3.36Å; C61-S68 WeakPolarHBondContact O-CA 3.4Å; C61-L69 PolarHBondContact N-O 2.82Å; C61-L69 PolarHBondContact O-N 3.11Å; C61-C84 HydrophobicContact CB-CB 3.81Å; C61-C84 WeakPolarHBondContact CB-SG 3.19Å; C61-C84 PolarHBondContact N-SG 3.1Å; C61-C84 WeakPolarHBondContact SG-CA 3.45Å; C61-C84 WeakPolarHBondContact SG-CB 3.23Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 2.61Å; C61-V92 HydrophobicContact CB-CG2 4.23Å; C61-L94 HydrophobicContact CB-CD2 4.06Å |
| 62 | I | 92.7 | Very high | 91.2 | Very high | 56 Ų | 56 | 73 Ų | 73 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.9 | 170.8 | -57.3 | 175.7 | 0 | 0 | 0 | 107.7 | R45 V46 F47 E67 | R45-I62 PolarHBondContact O-N 2.03Å; V46-I62 WeakPolarHBondContact O-CD1 3.46Å; F47-I62 HydrophobicContact CB-CG1 3.89Å; I62-E67 WeakPolarHBondContact CA-O 3.25Å |
| 63 | L | 90.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | trans | -79.5 | 166.1 | 178.4 | -64.4 | -178.6 | 0 | 0 | 0 | 111.7 | S65 G66 E67 L69 Y75 L94 | L63-S65 WeakPolarHBondContact CB-OG 3.28Å; L63-S65 PolarHBondContact O-N 2.83Å; L63-G66 PolarHBondContact O-N 3.42Å; L63-E67 HydrophobicContact CD1-CB 4.24Å; L63-E67 PolarHBondContact N-O 2.87Å; L63-L69 HydrophobicContact CD1-CD1 4.08Å; L63-L69 HydrophobicContact CD1-CD2 4.49Å; L63-L69 HydrophobicContact CD1-CG 4.1Å; L63-L69 HydrophobicContact CD2-CD1 3.68Å; L63-L69 HydrophobicContact CD2-CG 4.35Å; L63-L69 HydrophobicContact CG-CD1 4.02Å; L63-L69 HydrophobicContact CG-CG 4.14Å; L63-Y75 HydrophobicContact CD1-CD1 3.98Å; L63-Y75 HydrophobicContact CD1-CD2 3.37Å; L63-Y75 HydrophobicContact CD1-CE1 4.23Å; L63-Y75 HydrophobicContact CD1-CE2 3.65Å; L63-Y75 HydrophobicContact CD1-CG 3.54Å; L63-Y75 HydrophobicContact CD2-CD1 4.08Å; L63-Y75 HydrophobicContact CD2-CG 4.26Å; L63-L94 HydrophobicContact CD2-CD1 3.95Å; L63-L94 HydrophobicContact CD2-CD2 4.32Å | ||
| 64 | D | 86.6 | Confident | 92.1 | Very high | 133 Ų | 133 | 61.2 Ų | 61.2 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -27.3 | 172 | -72.7 | -49.6 | 0 | 0 | 0 | 112.7 | R45 G66 | R45-D64 IonicContact CZ-OD1 2.61Å; R45-D64 IonicContact NH1-OD1 3.75Å; R45-D64 PolarHBondContact NH1-OD1 3.09Å; R45-D64 IonicContact NH1-OD2 2.87Å; R45-D64 IonicContact NH2-OD1 2.66Å; R45-D64 PolarHBondContact NH2-OD1 3.01Å; D64-G66 PolarHBondContact O-N 3.08Å |
| 65 | S | 89.6 | Confident | 92.5 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.3 | 174.5 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | L63 E67 | L63-S65 WeakPolarHBondContact CB-OG 3.28Å; L63-S65 PolarHBondContact O-N 2.83Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 WeakPolarHBondContact OG-CB 2.77Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-N 2.96Å; S65-E67 PolarHBondContact OG-OE2 2.86Å |
| 66 | G | 90.9 | Very high | 92.9 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 86 | -7.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L63 D64 | L63-G66 PolarHBondContact O-N 3.42Å; D64-G66 PolarHBondContact O-N 3.08Å |
| 67 | E | 92.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | trans | -66.5 | 150.8 | 174 | -66.7 | 174.5 | 152.4 | 0 | 0 | 111.3 | I62 L63 S65 | I62-E67 WeakPolarHBondContact CA-O 3.25Å; L63-E67 HydrophobicContact CD1-CB 4.24Å; L63-E67 PolarHBondContact N-O 2.87Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 WeakPolarHBondContact OG-CB 2.77Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-N 2.96Å; S65-E67 PolarHBondContact OG-OE2 2.86Å | ||
| 68 | S | 93.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.3 | 179.3 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | F47 C61 | F47-S68 WeakPolarHBondContact CE1-OG 3.29Å; C61-S68 WeakPolarHBondContact O-CA 3.4Å |
| 69 | L | 94.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.8 | 172.9 | -66.2 | 175.7 | 0 | 0 | 0 | 109 | G60 C61 L63 Q73 C84 L94 | G60-L69 CarbonylContact C-O 3.45Å; G60-L69 WeakPolarHBondContact CA-O 2.96Å; C61-L69 PolarHBondContact N-O 2.82Å; C61-L69 PolarHBondContact O-N 3.11Å; L63-L69 HydrophobicContact CD1-CD1 4.08Å; L63-L69 HydrophobicContact CD1-CD2 4.49Å; L63-L69 HydrophobicContact CD1-CG 4.1Å; L63-L69 HydrophobicContact CD2-CD1 3.68Å; L63-L69 HydrophobicContact CD2-CG 4.35Å; L63-L69 HydrophobicContact CG-CD1 4.02Å; L63-L69 HydrophobicContact CG-CG 4.14Å; L69-Q73 HydrophobicContact CB-CB 4.41Å; L69-Q73 HydrophobicContact CD2-CB 4.31Å; L69-C84 HydrophobicContact CB-CB 4.03Å; L69-C84 HydrophobicContact CD1-CB 4.49Å; L69-L94 HydrophobicContact CD1-CD2 4.25Å |
| 70 | L | 96.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 156 | 168.8 | -59.5 | 176.9 | 0 | 0 | 0 | 110.7 | F47 I59 G72 Q73 | F47-L70 HydrophobicContact CD1-CD2 4.36Å; F47-L70 HydrophobicContact CE1-CD2 4.17Å; I59-L70 HydrophobicContact CB-CD2 4.5Å; I59-L70 HydrophobicContact CD1-CD2 4.34Å; I59-L70 WeakPolarHBondContact O-CA 3.41Å; L70-G72 PolarHBondContact O-N 2.84Å; L70-Q73 HydrophobicContact CB-CG 4.03Å; L70-Q73 VanDerWaalsContact O-CB 3.3Å; L70-Q73 WeakPolarHBondContact O-CB 3.33Å; L70-Q73 PolarHBondContact O-N 2.79Å |
| 71 | F | 95.6 | Very high | 93.5 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 28% | 0.281 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.1 | 173.3 | -66.3 | -46 | 0 | 0 | 0 | 111.8 | A58 I59 Q73 C84 K86 V92 | A58-F71 HydrophobicContact CB-CE2 4.28Å; A58-F71 HydrophobicContact CB-CZ 3.97Å; A58-F71 WeakPolarHBondContact O-CE2 3.44Å; I59-F71 VanDerWaalsContact C-CE2 3.48Å; I59-F71 WeakPolarHBondContact O-CD2 3.28Å; I59-F71 PolarHBondContact O-N 3.04Å; F71-Q73 VanDerWaalsContact C-N 3.28Å; F71-Q73 PolarHBondContact O-N 2.83Å; F71-C84 VanDerWaalsContact CD1-SG 3.51Å; F71-K86 HydrophobicContact CD1-CB 4.04Å; F71-K86 HydrophobicContact CD2-CB 4.31Å; F71-K86 HydrophobicContact CE1-CB 3.7Å; F71-K86 HydrophobicContact CE1-CG 4.29Å; F71-K86 HydrophobicContact CE2-CB 3.93Å; F71-K86 HydrophobicContact CE2-CD 3.8Å; F71-K86 HydrophobicContact CE2-CG 4.03Å; F71-K86 HydrophobicContact CG-CB 4.36Å; F71-K86 HydrophobicContact CZ-CB 3.64Å; F71-K86 HydrophobicContact CZ-CD 4.04Å; F71-K86 HydrophobicContact CZ-CG 3.76Å; F71-V92 HydrophobicContact CE1-CB 4.38Å; F71-V92 HydrophobicContact CE1-CG1 3.52Å; F71-V92 HydrophobicContact CZ-CG1 3.79Å |
| 72 | G | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 62 Ų | 62 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -21.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L70 C84 | L70-G72 PolarHBondContact O-N 2.84Å; G72-C84 PolarHBondContact N-O 2.77Å |
| 73 | Q | 97 | Very high | 93.6 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 36% | 0.355 | S | S | . | . | trans | -67.2 | 153.7 | 174 | -69 | -176.6 | -24.4 | 0 | 0 | 111.4 | L69 L70 F71 R83 C84 | L69-Q73 HydrophobicContact CB-CB 4.41Å; L69-Q73 HydrophobicContact CD2-CB 4.31Å; L70-Q73 HydrophobicContact CB-CG 4.03Å; L70-Q73 VanDerWaalsContact O-CB 3.3Å; L70-Q73 WeakPolarHBondContact O-CB 3.33Å; L70-Q73 PolarHBondContact O-N 2.79Å; F71-Q73 VanDerWaalsContact C-N 3.28Å; F71-Q73 PolarHBondContact O-N 2.83Å; Q73-R83 WeakPolarHBondContact O-CA 3.36Å; Q73-C84 PolarHBondContact O-N 3.3Å | ||
| 74 | T | 96.1 | Very high | 93.8 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 152.5 | -179.6 | 54.5 | 0 | 0 | 0 | 0 | 112 | V81 L82 R83 V97 | T74-V81 HydrophobicContact CG2-CG1 4.21Å; T74-L82 CarbonylContact C-O 3.37Å; T74-L82 WeakPolarHBondContact CA-O 3.04Å; T74-L82 WeakPolarHBondContact CB-O 3.36Å; T74-R83 HydrophobicContact CG2-CB 4Å; T74-R83 HydrophobicContact CG2-CG 4.19Å; T74-V97 HydrophobicContact CG2-CG2 4.4Å |
| 75 | Y | 93.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.7 | 176.3 | 165.9 | -102.2 | 0 | 0 | 0 | 109.9 | L63 V81 L82 | L63-Y75 HydrophobicContact CD1-CD1 3.98Å; L63-Y75 HydrophobicContact CD1-CD2 3.37Å; L63-Y75 HydrophobicContact CD1-CE1 4.23Å; L63-Y75 HydrophobicContact CD1-CE2 3.65Å; L63-Y75 HydrophobicContact CD1-CG 3.54Å; L63-Y75 HydrophobicContact CD2-CD1 4.08Å; L63-Y75 HydrophobicContact CD2-CG 4.26Å; Y75-V81 WeakPolarHBondContact O-CA 3.48Å; Y75-L82 HydrophobicContact CD1-CD1 4.47Å; Y75-L82 PolarHBondContact N-O 3.02Å; Y75-L82 PolarHBondContact O-N 3.01Å |
| 76 | E | 94.4 | Very high | 94.4 | Very high | 109 Ų | 109 | 62.9 Ų | 62.9 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.9 | 177 | -60.4 | -160.3 | 160.8 | 0 | 0 | 109.7 | V81 I100 | E76-V81 HydrophobicContact CG-CG2 4.25Å; E76-I100 HydrophobicContact CB-CD1 3.81Å; E76-I100 HydrophobicContact CG-CD1 4.21Å |
| 77 | S | 91.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | trans | -86.6 | -175.2 | 168.7 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | Y79 F80 I100 | S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 2.72Å; S77-F80 WeakPolarHBondContact CB-O 3.04Å; S77-F80 PolarHBondContact N-O 3.23Å; S77-F80 PolarHBondContact OG-N 2.76Å; S77-F80 VanDerWaalsContact OG-N 3.09Å; S77-F80 PolarHBondContact OG-O 2.62Å; S77-I100 VanDerWaalsContact O-CD1 3.24Å; S77-I100 WeakPolarHBondContact O-CD1 3.36Å | ||
| 78 | T | 93.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 61.9 Ų | 61.9 | 66% | 0.663 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -57.5 | -35.7 | 178.2 | -46.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 79 | Y | 94.6 | Very high | 93.9 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -129.9 | -6.3 | -172.1 | -58 | -67.9 | 0 | 0 | 0 | 114.4 | Y34 S77 C99 I100 | Y34-Y79 HydrophobicContact CD1-CD1 4.17Å; Y34-Y79 AromaticContact CD1-CD2 3.86Å; Y34-Y79 HydrophobicContact CD1-CD2 3.86Å; Y34-Y79 AromaticContact CD1-CE1 3.91Å; Y34-Y79 HydrophobicContact CD1-CE1 3.91Å; Y34-Y79 AromaticContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CG 4.15Å; Y34-Y79 AromaticContact CD1-CZ 3.62Å; Y34-Y79 AromaticContact CD2-CD1 3.89Å; Y34-Y79 HydrophobicContact CD2-CD1 3.89Å; Y34-Y79 AromaticContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CG 4.37Å; Y34-Y79 HydrophobicContact CE1-CD1 4.34Å; Y34-Y79 HydrophobicContact CE1-CD2 4.36Å; Y34-Y79 AromaticContact CE1-CE1 3.63Å; Y34-Y79 HydrophobicContact CE1-CE1 3.63Å; Y34-Y79 AromaticContact CE1-CE2 3.67Å; Y34-Y79 HydrophobicContact CE1-CE2 3.67Å; Y34-Y79 AromaticContact CE1-CZ 3.25Å; Y34-Y79 VanDerWaalsContact CE1-OH 3.31Å; Y34-Y79 WeakPolarHBondContact CE1-OH 3.26Å; Y34-Y79 HydrophobicContact CE2-CD1 4.07Å; Y34-Y79 AromaticContact CE2-CE1 3.68Å; Y34-Y79 HydrophobicContact CE2-CE1 3.68Å; Y34-Y79 AromaticContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD2 4.14Å; Y34-Y79 HydrophobicContact CG-CE1 4.06Å; Y34-Y79 HydrophobicContact CG-CE2 4.26Å; Y34-Y79 AromaticContact CG-CG 3.98Å; Y34-Y79 HydrophobicContact CG-CG 3.98Å; Y34-Y79 AromaticContact CZ-CE1 3.5Å; Y34-Y79 VanDerWaalsContact CZ-CE1 3.5Å; Y34-Y79 AromaticContact CZ-CZ 3.57Å; S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 2.72Å; Y79-C99 CarbonylContact O-C 3.46Å; Y79-C99 WeakPolarHBondContact O-CA 3.12Å; Y79-I100 PolarHBondContact O-N 2.78Å |
| 80 | F | 96.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 145 | -172.2 | -53 | -74.7 | 0 | 0 | 0 | 112.3 | Y36 S77 L82 P96 K98 C99 I128 L130 | Y36-F80 AromaticContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CE2 4.39Å; Y36-F80 HydrophobicContact CG-CD2 4.28Å; S77-F80 WeakPolarHBondContact CB-O 3.04Å; S77-F80 PolarHBondContact N-O 3.23Å; S77-F80 PolarHBondContact OG-N 2.76Å; S77-F80 VanDerWaalsContact OG-N 3.09Å; S77-F80 PolarHBondContact OG-O 2.62Å; F80-L82 HydrophobicContact CB-CD2 3.95Å; F80-P96 HydrophobicContact CB-CB 4.37Å; F80-K98 WeakPolarHBondContact CA-O 3.35Å; F80-C99 HydrophobicContact CD1-CB 4.42Å; F80-I128 HydrophobicContact CD1-CG2 3.38Å; F80-I128 HydrophobicContact CE1-CG2 3.51Å; F80-I128 HydrophobicContact CG-CG2 4.27Å; F80-I128 HydrophobicContact CZ-CG2 4.47Å; F80-L130 HydrophobicContact CE1-CB 4.42Å |
| 81 | V | 95.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.7 | 164.3 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | T74 Y75 E76 P96 V97 K98 I100 P105 | T74-V81 HydrophobicContact CG2-CG1 4.21Å; Y75-V81 WeakPolarHBondContact O-CA 3.48Å; E76-V81 HydrophobicContact CG-CG2 4.25Å; V81-P96 CarbonylContact O-C 3.54Å; V81-P96 WeakPolarHBondContact O-CA 3.16Å; V81-V97 HydrophobicContact CB-CG2 4.07Å; V81-V97 HydrophobicContact CG1-CG2 3.86Å; V81-V97 WeakPolarHBondContact O-CG2 3.4Å; V81-V97 PolarHBondContact O-N 2.04Å; V81-K98 HydrophobicContact CB-CB 4.04Å; V81-K98 HydrophobicContact CG2-CB 3.97Å; V81-K98 PolarHBondContact N-O 2.96Å; V81-I100 HydrophobicContact CG2-CD1 3.87Å; V81-I100 HydrophobicContact CG2-CG1 3.83Å; V81-P105 HydrophobicContact CG2-CB 4.46Å; V81-P105 HydrophobicContact CG2-CG 4.44Å |
| 82 | L | 93.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.1 | -178.3 | -54.7 | -178.9 | 0 | 0 | 0 | 109.9 | Y36 T74 Y75 F80 L94 P96 | Y36-L82 HydrophobicContact CD1-CD2 4.47Å; Y36-L82 HydrophobicContact CD2-CD2 4.07Å; Y36-L82 HydrophobicContact CE1-CD2 4.17Å; Y36-L82 HydrophobicContact CE2-CD1 3.9Å; Y36-L82 HydrophobicContact CE2-CD2 3.74Å; Y36-L82 HydrophobicContact CE2-CG 4.49Å; Y36-L82 HydrophobicContact CG-CD2 4.42Å; T74-L82 CarbonylContact C-O 3.37Å; T74-L82 WeakPolarHBondContact CA-O 3.04Å; T74-L82 WeakPolarHBondContact CB-O 3.36Å; Y75-L82 HydrophobicContact CD1-CD1 4.47Å; Y75-L82 PolarHBondContact N-O 3.02Å; Y75-L82 PolarHBondContact O-N 3.01Å; F80-L82 HydrophobicContact CB-CD2 3.95Å; L82-L94 HydrophobicContact CB-CB 4.38Å; L82-L94 HydrophobicContact CD1-CB 4.34Å; L82-L94 HydrophobicContact CD1-CD1 4.19Å; L82-P96 HydrophobicContact CD2-CB 3.76Å; L82-P96 HydrophobicContact CD2-CG 4.45Å |
| 83 | R | 94.8 | Very high | 92.9 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.9 | 173.8 | -175.3 | 177 | -67.8 | 172 | 1.9 | 110.3 | Q73 T74 K85 V95 V97 | Q73-R83 WeakPolarHBondContact O-CA 3.36Å; T74-R83 HydrophobicContact CG2-CB 4Å; T74-R83 HydrophobicContact CG2-CG 4.19Å; R83-K85 PolarHBondContact O-N 3.47Å; R83-V95 PolarHBondContact N-O 3.24Å; R83-V95 PolarHBondContact O-N 3.33Å; R83-V97 HydrophobicContact CB-CG1 3.8Å |
| 84 | C | 94.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.1 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | G60 C61 L69 F71 G72 Q73 L94 | G60-C84 VanDerWaalsContact C-SG 3.53Å; C61-C84 HydrophobicContact CB-CB 3.81Å; C61-C84 WeakPolarHBondContact CB-SG 3.19Å; C61-C84 PolarHBondContact N-SG 3.1Å; C61-C84 WeakPolarHBondContact SG-CA 3.45Å; C61-C84 WeakPolarHBondContact SG-CB 3.23Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 2.61Å; L69-C84 HydrophobicContact CB-CB 4.03Å; L69-C84 HydrophobicContact CD1-CB 4.49Å; F71-C84 VanDerWaalsContact CD1-SG 3.51Å; G72-C84 PolarHBondContact N-O 2.77Å; Q73-C84 PolarHBondContact O-N 3.3Å; C84-L94 HydrophobicContact CB-CD2 4.39Å |
| 85 | K | 94 | Very high | 92.4 | Very high | 98 Ų | 98 | 54.7 Ų | 54.7 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140 | 175 | -66.3 | -159.6 | -177.1 | -175.4 | 0 | 111.4 | R83 V92 K93 V95 | R83-K85 PolarHBondContact O-N 3.47Å; K85-V92 WeakPolarHBondContact O-CA 3.5Å; K85-K93 PolarHBondContact N-O 2.81Å; K85-K93 PolarHBondContact O-N 2.77Å; K85-V95 HydrophobicContact CB-CG2 4.24Å; K85-V95 HydrophobicContact CD-CB 4.29Å; K85-V95 HydrophobicContact CD-CG2 3.86Å; K85-V95 HydrophobicContact CG-CB 4.4Å; K85-V95 HydrophobicContact CG-CG2 4.02Å |
| 86 | K | 93.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.2 | 167.6 | -166.5 | 175.9 | -179.1 | -178.8 | 0 | 109.3 | F71 N88 D89 | F71-K86 HydrophobicContact CD1-CB 4.04Å; F71-K86 HydrophobicContact CD2-CB 4.31Å; F71-K86 HydrophobicContact CE1-CB 3.7Å; F71-K86 HydrophobicContact CE1-CG 4.29Å; F71-K86 HydrophobicContact CE2-CB 3.93Å; F71-K86 HydrophobicContact CE2-CD 3.8Å; F71-K86 HydrophobicContact CE2-CG 4.03Å; F71-K86 HydrophobicContact CG-CB 4.36Å; F71-K86 HydrophobicContact CZ-CB 3.64Å; F71-K86 HydrophobicContact CZ-CD 4.04Å; F71-K86 HydrophobicContact CZ-CG 3.76Å; K86-N88 WeakPolarHBondContact CE-O 3.35Å; K86-N88 WeakPolarHBondContact CG-O 3.44Å; K86-D89 WeakPolarHBondContact CE-OD1 3.42Å; K86-D89 IonicContact NZ-OD1 3.91Å; K86-D89 PolarHBondContact NZ-OD1 2.79Å |
| 87 | V | 91.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -93.5 | -50 | 171.8 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | A91 K93 | V87-A91 HydrophobicContact CB-CB 4.19Å; V87-A91 WeakPolarHBondContact CB-O 3.34Å; V87-A91 PolarHBondContact N-O 2.85Å; V87-K93 HydrophobicContact CG2-CB 3.62Å; V87-K93 HydrophobicContact CG2-CD 4.35Å |
| 88 | N | 90.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -150.6 | -167 | 171.4 | 61.8 | 35.6 | 0 | 0 | 0 | 108.4 | K86 T90 A91 | K86-N88 WeakPolarHBondContact CE-O 3.35Å; K86-N88 WeakPolarHBondContact CG-O 3.44Å; N88-T90 PolarHBondContact O-N 2.73Å; N88-T90 PolarHBondContact OD1-N 3.03Å; N88-T90 PolarHBondContact OD1-OG1 3.26Å; N88-A91 PolarHBondContact N-O 3.05Å; N88-A91 VanDerWaalsContact OD1-CB 3.26Å; N88-A91 WeakPolarHBondContact OD1-CB 3.05Å; N88-A91 PolarHBondContact OD1-N 3.47Å |
| 89 | D | 86.2 | Confident | 92.8 | Very high | 108 Ų | 108 | 43.3 Ų | 43.3 | 58% | 0.578 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.8 | -22.1 | -176.9 | -66.8 | -36.1 | 0 | 0 | 0 | 114.8 | W48 A58 K86 | W48-D89 WeakPolarHBondContact CH2-O 3.41Å; A58-D89 WeakPolarHBondContact CB-O 3.08Å; K86-D89 WeakPolarHBondContact CE-OD1 3.42Å; K86-D89 IonicContact NZ-OD1 3.91Å; K86-D89 PolarHBondContact NZ-OD1 2.79Å |
| 90 | T | 86.6 | Confident | 92.9 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -117.8 | -1.9 | -175.3 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | V46 W48 N88 | V46-T90 WeakPolarHBondContact CG2-O 3.47Å; W48-T90 HydrophobicContact CH2-CG2 4.21Å; N88-T90 PolarHBondContact O-N 2.73Å; N88-T90 PolarHBondContact OD1-N 3.03Å; N88-T90 PolarHBondContact OD1-OG1 3.26Å |
| 91 | A | 89.7 | Confident | 93 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | trans | -133.9 | 137 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I41 V43 V87 N88 | I41-A91 HydrophobicContact CG2-CB 3.96Å; V43-A91 HydrophobicContact CG2-CB 4.33Å; V87-A91 HydrophobicContact CB-CB 4.19Å; V87-A91 WeakPolarHBondContact CB-O 3.34Å; V87-A91 PolarHBondContact N-O 2.85Å; N88-A91 PolarHBondContact N-O 3.05Å; N88-A91 VanDerWaalsContact OD1-CB 3.26Å; N88-A91 WeakPolarHBondContact OD1-CB 3.05Å; N88-A91 PolarHBondContact OD1-N 3.47Å | ||
| 92 | V | 91.9 | Very high | 93 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.5 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | E42 R45 V46 C61 F71 K85 | E42-V92 PolarHBondContact N-O 2.78Å; E42-V92 VanDerWaalsContact N-O 3.13Å; E42-V92 PolarHBondContact O-N 2.77Å; R45-V92 WeakPolarHBondContact O-CG2 3.44Å; V46-V92 HydrophobicContact CB-CG1 4.39Å; V46-V92 HydrophobicContact CG1-CG1 4.03Å; V46-V92 HydrophobicContact CG2-CB 4.45Å; V46-V92 HydrophobicContact CG2-CG1 3.96Å; V46-V92 HydrophobicContact CG2-CG2 3.94Å; C61-V92 HydrophobicContact CB-CG2 4.23Å; F71-V92 HydrophobicContact CE1-CB 4.38Å; F71-V92 HydrophobicContact CE1-CG1 3.52Å; F71-V92 HydrophobicContact CZ-CG1 3.79Å; K85-V92 WeakPolarHBondContact O-CA 3.5Å |
| 93 | K | 90.9 | Very high | 93 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 131.6 | -177.3 | -175.9 | 175.8 | -177.3 | 159.9 | 0 | 110.8 | Y38 K85 V87 V95 | Y38-K93 WeakPolarHBondContact O-CE 3.13Å; Y38-K93 PolarHBondContact O-NZ 2.95Å; K85-K93 PolarHBondContact N-O 2.81Å; K85-K93 PolarHBondContact O-N 2.77Å; V87-K93 HydrophobicContact CG2-CB 3.62Å; V87-K93 HydrophobicContact CG2-CD 4.35Å; K93-V95 HydrophobicContact CB-CG2 4.45Å; K93-V95 HydrophobicContact CD-CG2 4.02Å; K93-V95 HydrophobicContact CG-CG2 3.89Å |
| 94 | L | 91.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 114.6 | 166.2 | -65.9 | 176.5 | 0 | 0 | 0 | 108.9 | C61 L63 L69 L82 C84 | C61-L94 HydrophobicContact CB-CD2 4.06Å; L63-L94 HydrophobicContact CD2-CD1 3.95Å; L63-L94 HydrophobicContact CD2-CD2 4.32Å; L69-L94 HydrophobicContact CD1-CD2 4.25Å; L82-L94 HydrophobicContact CB-CB 4.38Å; L82-L94 HydrophobicContact CD1-CB 4.34Å; L82-L94 HydrophobicContact CD1-CD1 4.19Å; C84-L94 HydrophobicContact CB-CD2 4.39Å |
| 95 | V | 91.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.6 | -178.4 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | Y38 R83 K85 K93 V97 | Y38-V95 HydrophobicContact CD1-CG1 4.09Å; Y38-V95 HydrophobicContact CE1-CG1 3.69Å; R83-V95 PolarHBondContact N-O 3.24Å; R83-V95 PolarHBondContact O-N 3.33Å; K85-V95 HydrophobicContact CB-CG2 4.24Å; K85-V95 HydrophobicContact CD-CB 4.29Å; K85-V95 HydrophobicContact CD-CG2 3.86Å; K85-V95 HydrophobicContact CG-CB 4.4Å; K85-V95 HydrophobicContact CG-CG2 4.02Å; K93-V95 HydrophobicContact CB-CG2 4.45Å; K93-V95 HydrophobicContact CD-CG2 4.02Å; K93-V95 HydrophobicContact CG-CG2 3.89Å; V95-V97 PolarHBondContact O-N 3.05Å |
| 96 | P | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.2 | 172.9 | 23.7 | -35 | 0 | 0 | 0 | 111.6 | Y36 Y38 F80 V81 L82 I128 | Y36-P96 HydrophobicContact CD1-CB 4.31Å; Y36-P96 VanDerWaalsContact CD1-CD 3.49Å; Y36-P96 HydrophobicContact CD1-CG 3.48Å; Y36-P96 VanDerWaalsContact CD1-CG 3.48Å; Y36-P96 HydrophobicContact CE1-CG 4.12Å; Y36-P96 HydrophobicContact CG-CG 4.04Å; Y38-P96 HydrophobicContact CD1-CG 3.9Å; Y38-P96 HydrophobicContact CE1-CG 3.33Å; F80-P96 HydrophobicContact CB-CB 4.37Å; V81-P96 CarbonylContact O-C 3.54Å; V81-P96 WeakPolarHBondContact O-CA 3.16Å; L82-P96 HydrophobicContact CD2-CB 3.76Å; L82-P96 HydrophobicContact CD2-CG 4.45Å; P96-I128 HydrophobicContact CB-CB 4.09Å; P96-I128 HydrophobicContact CB-CG2 3.34Å; P96-I128 HydrophobicContact CG-CB 3.98Å; P96-I128 HydrophobicContact CG-CG2 3.5Å |
| 97 | V | 94.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -26.3 | -179.6 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | T74 V81 R83 V95 K108 | T74-V97 HydrophobicContact CG2-CG2 4.4Å; V81-V97 HydrophobicContact CB-CG2 4.07Å; V81-V97 HydrophobicContact CG1-CG2 3.86Å; V81-V97 WeakPolarHBondContact O-CG2 3.4Å; V81-V97 PolarHBondContact O-N 2.04Å; R83-V97 HydrophobicContact CB-CG1 3.8Å; V95-V97 PolarHBondContact O-N 3.05Å; V97-K108 WeakPolarHBondContact O-CE 3.36Å |
| 98 | K | 96.9 | Very high | 93.8 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 161.9 | 177.1 | -58.3 | -175.6 | -172.9 | -171.9 | 0 | 110.2 | F80 V81 P105 E107 | F80-K98 WeakPolarHBondContact CA-O 3.35Å; V81-K98 HydrophobicContact CB-CB 4.04Å; V81-K98 HydrophobicContact CG2-CB 3.97Å; V81-K98 PolarHBondContact N-O 2.96Å; K98-P105 HydrophobicContact CD-CB 3.99Å; K98-E107 WeakPolarHBondContact CD-OE1 3.34Å; K98-E107 WeakPolarHBondContact CE-OE1 3.5Å; K98-E107 WeakPolarHBondContact CE-OE2 3.35Å; K98-E107 IonicContact NZ-OE1 2.61Å; K98-E107 PolarHBondContact NZ-OE1 3.44Å; K98-E107 IonicContact NZ-OE2 3.93Å |
| 99 | C | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 165.6 | 166.8 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | Y79 F80 P105 V106 C121 L130 | Y79-C99 CarbonylContact O-C 3.46Å; Y79-C99 WeakPolarHBondContact O-CA 3.12Å; F80-C99 HydrophobicContact CD1-CB 4.42Å; C99-P105 CarbonylContact O-C 3.53Å; C99-P105 WeakPolarHBondContact O-CA 3.37Å; C99-V106 HydrophobicContact CB-CB 4.37Å; C99-V106 PolarHBondContact N-O 3.09Å; C99-V106 VanDerWaalsContact N-O 3.11Å; C99-V106 PolarHBondContact O-N 2.8Å; C99-C121 HydrophobicContact CB-CB 3.62Å; C99-C121 WeakPolarHBondContact CB-SG 3.49Å; C99-C121 PolarHBondContact N-SG 2.92Å; C99-C121 WeakPolarHBondContact SG-CA 3.49Å; C99-C121 WeakPolarHBondContact SG-CB 3.33Å; C99-C121 CovalentContact SG-SG 2.04Å; C99-C121 PolarHBondContact SG-SG 3.22Å; C99-L130 HydrophobicContact CB-CB 4.16Å; C99-L130 HydrophobicContact CB-CD1 3.88Å; C99-L130 HydrophobicContact CB-CG 4.42Å |
| 100 | I | 97.7 | Very high | 94.7 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.7 | 174.8 | -63 | 169.5 | 0 | 0 | 0 | 108 | E76 S77 Y79 V81 K104 L130 | E76-I100 HydrophobicContact CB-CD1 3.81Å; E76-I100 HydrophobicContact CG-CD1 4.21Å; S77-I100 VanDerWaalsContact O-CD1 3.24Å; S77-I100 WeakPolarHBondContact O-CD1 3.36Å; Y79-I100 PolarHBondContact O-N 2.78Å; V81-I100 HydrophobicContact CG2-CD1 3.87Å; V81-I100 HydrophobicContact CG2-CG1 3.83Å; I100-K104 WeakPolarHBondContact CA-O 3.32Å; I100-L130 VanDerWaalsContact O-CD2 3.29Å; I100-L130 WeakPolarHBondContact O-CD2 3.32Å |
| 101 | L | 97.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123 | 175.6 | -170.4 | 74.9 | 0 | 0 | 0 | 108.5 | G103 K104 V106 R112 K114 Y119 L130 | L101-G103 VanDerWaalsContact C-N 3.28Å; L101-G103 PolarHBondContact O-N 2.79Å; L101-K104 PolarHBondContact N-O 2.69Å; L101-K104 PolarHBondContact O-N 2.92Å; L101-K104 VanDerWaalsContact O-N 3.08Å; L101-V106 HydrophobicContact CB-CG2 3.69Å; L101-R112 HydrophobicContact CD2-CB 3.72Å; L101-K114 HydrophobicContact CD1-CB 4.26Å; L101-K114 HydrophobicContact CD1-CD 3.56Å; L101-K114 HydrophobicContact CD2-CB 4.06Å; L101-K114 HydrophobicContact CG-CB 4.34Å; L101-K114 HydrophobicContact CG-CD 4.09Å; L101-Y119 HydrophobicContact CD1-CD1 4.14Å; L101-Y119 HydrophobicContact CD1-CD2 3.91Å; L101-Y119 HydrophobicContact CD1-CE2 4.32Å; L101-Y119 HydrophobicContact CD1-CG 3.78Å; L101-Y119 HydrophobicContact CD2-CD2 4.27Å; L101-Y119 HydrophobicContact CD2-CG 4.26Å; L101-L130 HydrophobicContact CD1-CD2 3.98Å |
| 102 | D | 94.8 | Very high | 95.5 | Very high | 100 Ų | 100 | 45.9 Ų | 45.9 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 45.2 | -177 | -62.5 | -25.4 | 0 | 0 | 0 | 113.1 | K104 K114 | D102-K104 PolarHBondContact O-N 2.86Å; D102-K114 VanDerWaalsContact OD1-CD 3.29Å; D102-K114 WeakPolarHBondContact OD1-CD 3.28Å; D102-K114 WeakPolarHBondContact OD1-CE 3.14Å; D102-K114 IonicContact OD1-NZ 2.73Å; D102-K114 PolarHBondContact OD1-NZ 2.61Å; D102-K114 WeakPolarHBondContact OD2-CD 3.02Å; D102-K114 WeakPolarHBondContact OD2-CG 3.47Å |
| 103 | G | 95.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 63% | 0.629 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 6.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | L101 | L101-G103 VanDerWaalsContact C-N 3.28Å; L101-G103 PolarHBondContact O-N 2.79Å |
| 104 | K | 97.1 | Very high | 96 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.5 | -179.7 | -64.2 | -176.7 | -178.4 | -179.1 | 0 | 111.4 | I100 L101 D102 | I100-K104 WeakPolarHBondContact CA-O 3.32Å; L101-K104 PolarHBondContact N-O 2.69Å; L101-K104 PolarHBondContact O-N 2.92Å; L101-K104 VanDerWaalsContact O-N 3.08Å; D102-K104 PolarHBondContact O-N 2.86Å |
| 105 | P | 96.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 141.3 | 171.5 | -24.7 | 34.2 | 0 | 0 | 0 | 112.2 | V81 K98 C99 R112 | V81-P105 HydrophobicContact CG2-CB 4.46Å; V81-P105 HydrophobicContact CG2-CG 4.44Å; K98-P105 HydrophobicContact CD-CB 3.99Å; C99-P105 CarbonylContact O-C 3.53Å; C99-P105 WeakPolarHBondContact O-CA 3.37Å; P105-R112 VanDerWaalsContact O-CZ 3.3Å; P105-R112 PolarHBondContact O-NH1 3.43Å; P105-R112 PolarHBondContact O-NH2 3.03Å |
| 106 | V | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.5 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | C99 L101 E110 C121 | C99-V106 HydrophobicContact CB-CB 4.37Å; C99-V106 PolarHBondContact N-O 3.09Å; C99-V106 VanDerWaalsContact N-O 3.11Å; C99-V106 PolarHBondContact O-N 2.8Å; L101-V106 HydrophobicContact CB-CG2 3.69Å; V106-E110 HydrophobicContact CG1-CB 3.77Å; V106-E110 HydrophobicContact CG1-CG 4.05Å; V106-C121 HydrophobicContact CB-CB 4.36Å; V106-C121 HydrophobicContact CG1-CB 3.89Å |
| 107 | E | 97.6 | Very high | 96.6 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | trans | -68.2 | 156.7 | -178.9 | -62.7 | -58.5 | 156.8 | 0 | 0 | 111.7 | K98 G109 E110 C121 | K98-E107 WeakPolarHBondContact CD-OE1 3.34Å; K98-E107 WeakPolarHBondContact CE-OE1 3.5Å; K98-E107 WeakPolarHBondContact CE-OE2 3.35Å; K98-E107 IonicContact NZ-OE1 2.61Å; K98-E107 PolarHBondContact NZ-OE1 3.44Å; K98-E107 IonicContact NZ-OE2 3.93Å; E107-G109 PolarHBondContact O-N 2.9Å; E107-E110 HydrophobicContact CB-CB 4.14Å; E107-E110 PolarHBondContact N-OE2 2.83Å; E107-E110 WeakPolarHBondContact O-CB 3.03Å; E107-E110 PolarHBondContact O-N 2.95Å; E107-C121 WeakPolarHBondContact O-CB 3.15Å | ||
| 108 | K | 96.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.5 | 174.1 | -62.4 | 173.6 | 178.4 | -174.6 | 0 | 110 | V97 E110 Q123 I128 | V97-K108 WeakPolarHBondContact O-CE 3.36Å; K108-E110 VanDerWaalsContact C-N 3.26Å; K108-E110 PolarHBondContact O-N 3.02Å; K108-Q123 HydrophobicContact CD-CB 4.35Å; K108-Q123 VanDerWaalsContact CD-OE1 3.3Å; K108-I128 HydrophobicContact CG-CD1 4.06Å |
| 109 | G | 96.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 60% | 0.598 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -17 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E107 C121 | E107-G109 PolarHBondContact O-N 2.9Å; G109-C121 PolarHBondContact N-O 3.41Å |
| 110 | E | 97.7 | Very high | 96.8 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | trans | -71.1 | 140.9 | 180 | -171.6 | -172.7 | 171.8 | 0 | 0 | 110.8 | V106 E107 K108 R112 T120 C121 | V106-E110 HydrophobicContact CG1-CB 3.77Å; V106-E110 HydrophobicContact CG1-CG 4.05Å; E107-E110 HydrophobicContact CB-CB 4.14Å; E107-E110 PolarHBondContact N-OE2 2.83Å; E107-E110 WeakPolarHBondContact O-CB 3.03Å; E107-E110 PolarHBondContact O-N 2.95Å; K108-E110 VanDerWaalsContact C-N 3.26Å; K108-E110 PolarHBondContact O-N 3.02Å; E110-R112 IonicContact OE1-CZ 3.95Å; E110-R112 IonicContact OE1-NE 3.96Å; E110-R112 PolarHBondContact OE1-NE 3.03Å; E110-R112 IonicContact OE1-NH2 3.65Å; E110-R112 PolarHBondContact OE1-NH2 3.38Å; E110-R112 IonicContact OE2-CZ 3.03Å; E110-R112 IonicContact OE2-NH2 3.83Å; E110-R112 PolarHBondContact OE2-NH2 2.92Å; E110-T120 WeakPolarHBondContact O-CA 3.38Å; E110-C121 PolarHBondContact O-N 3.2Å | ||
| 111 | S | 97.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.8 | 174.8 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | Y119 T120 | S111-Y119 CarbonylContact C-O 3.45Å; S111-Y119 WeakPolarHBondContact CA-O 3.41Å; S111-T120 WeakPolarHBondContact OG-CB 3.5Å; S111-T120 WeakPolarHBondContact OG-CG2 3.47Å; S111-T120 PolarHBondContact OG-OG1 3.26Å |
| 112 | R | 97.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 25% | 0.253 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.8 | 175.9 | -69.1 | -167.4 | -175.3 | 154.9 | 10.3 | 111.9 | L101 P105 E110 Y119 | L101-R112 HydrophobicContact CD2-CB 3.72Å; P105-R112 VanDerWaalsContact O-CZ 3.3Å; P105-R112 PolarHBondContact O-NH1 3.43Å; P105-R112 PolarHBondContact O-NH2 3.03Å; E110-R112 IonicContact OE1-CZ 3.95Å; E110-R112 IonicContact OE1-NE 3.96Å; E110-R112 PolarHBondContact OE1-NE 3.03Å; E110-R112 IonicContact OE1-NH2 3.65Å; E110-R112 PolarHBondContact OE1-NH2 3.38Å; E110-R112 IonicContact OE2-CZ 3.03Å; E110-R112 IonicContact OE2-NH2 3.83Å; E110-R112 PolarHBondContact OE2-NH2 2.92Å; R112-Y119 PolarHBondContact N-O 3.36Å; R112-Y119 PolarHBondContact O-N 2.82Å |
| 113 | P | 96.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.9 | 171.5 | 31.1 | -33.7 | 0 | 0 | 0 | 110.7 | F117 I136 | P113-F117 WeakPolarHBondContact CA-O 3.35Å; P113-I136 HydrophobicContact CB-CD1 3.47Å; P113-I136 VanDerWaalsContact CB-CD1 3.47Å |
| 114 | K | 95.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 117.2 | 167 | 172.9 | 178.4 | 178 | 162.2 | 0 | 109.7 | L101 D102 S116 F117 Y119 | L101-K114 HydrophobicContact CD1-CB 4.26Å; L101-K114 HydrophobicContact CD1-CD 3.56Å; L101-K114 HydrophobicContact CD2-CB 4.06Å; L101-K114 HydrophobicContact CG-CB 4.34Å; L101-K114 HydrophobicContact CG-CD 4.09Å; D102-K114 VanDerWaalsContact OD1-CD 3.29Å; D102-K114 WeakPolarHBondContact OD1-CD 3.28Å; D102-K114 WeakPolarHBondContact OD1-CE 3.14Å; D102-K114 IonicContact OD1-NZ 2.73Å; D102-K114 PolarHBondContact OD1-NZ 2.61Å; D102-K114 WeakPolarHBondContact OD2-CD 3.02Å; D102-K114 WeakPolarHBondContact OD2-CG 3.47Å; K114-S116 PolarHBondContact O-N 2.84Å; K114-S116 VanDerWaalsContact O-N 3.1Å; K114-F117 PolarHBondContact N-O 2.96Å; K114-F117 PolarHBondContact O-N 2.85Å; K114-F117 VanDerWaalsContact O-N 3.1Å; K114-Y119 HydrophobicContact CB-CD2 3.78Å; K114-Y119 HydrophobicContact CB-CE2 3.8Å; K114-Y119 HydrophobicContact CD-CE2 4.13Å; K114-Y119 HydrophobicContact CG-CE2 4.25Å |
| 115 | G | 94.4 | Very high | 96 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -111.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 116 | S | 95.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 13.7 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | K29 K114 I136 Q167 | K29-S116 WeakPolarHBondContact CD-OG 3.45Å; K29-S116 PolarHBondContact NZ-OG 3.42Å; K114-S116 PolarHBondContact O-N 2.84Å; K114-S116 VanDerWaalsContact O-N 3.1Å; S116-I136 PolarHBondContact O-N 2.71Å; S116-Q167 VanDerWaalsContact CB-NE2 3.34Å; S116-Q167 PolarHBondContact O-NE2 2.83Å |
| 117 | F | 97.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 4% | 0.044 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.7 | -174.9 | -58.4 | -80.2 | 0 | 0 | 0 | 111.2 | K29 S31 P113 K114 Y119 I132 G134 I136 V165 Q167 | K29-F117 HydrophobicContact CB-CZ 4.32Å; S31-F117 VanDerWaalsContact CB-CE2 3.44Å; P113-F117 WeakPolarHBondContact CA-O 3.35Å; K114-F117 PolarHBondContact N-O 2.96Å; K114-F117 PolarHBondContact O-N 2.85Å; K114-F117 VanDerWaalsContact O-N 3.1Å; F117-Y119 HydrophobicContact CB-CD2 4.44Å; F117-Y119 HydrophobicContact CB-CE2 3.98Å; F117-I132 HydrophobicContact CB-CD1 4.46Å; F117-I132 HydrophobicContact CB-CG1 4.39Å; F117-I132 HydrophobicContact CB-CG2 3.91Å; F117-I132 HydrophobicContact CD1-CD1 4.39Å; F117-I132 HydrophobicContact CD1-CG2 3.85Å; F117-I132 HydrophobicContact CG-CD1 4.32Å; F117-I132 HydrophobicContact CG-CG2 4.24Å; F117-G134 WeakPolarHBondContact CA-O 3.06Å; F117-I136 WeakPolarHBondContact O-CD1 3.33Å; F117-V165 HydrophobicContact CD1-CB 4.39Å; F117-V165 HydrophobicContact CD1-CG1 4.12Å; F117-V165 HydrophobicContact CE1-CB 4.24Å; F117-V165 HydrophobicContact CE1-CG1 3.96Å; F117-Q167 HydrophobicContact CE1-CG 3.86Å; F117-Q167 HydrophobicContact CZ-CG 4.07Å |
| 118 | V | 98 | Very high | 95 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.9 | 168.7 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | I132 T133 G134 I136 V142 | V118-I132 CarbonylContact O-C 3.44Å; V118-I132 VanDerWaalsContact O-CA 3.3Å; V118-I132 WeakPolarHBondContact O-CA 3Å; V118-T133 PolarHBondContact O-N 3.47Å; V118-T133 PolarHBondContact O-OG1 2.89Å; V118-G134 PolarHBondContact N-O 3.1Å; V118-I136 HydrophobicContact CG2-CD1 4.02Å; V118-I136 HydrophobicContact CG2-CG1 3.72Å; V118-V142 HydrophobicContact CB-CG1 4.31Å; V118-V142 HydrophobicContact CG2-CB 4.3Å; V118-V142 HydrophobicContact CG2-CG1 3.63Å; V118-V142 HydrophobicContact CG2-CG2 3.66Å |
| 119 | Y | 98.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 143.6 | 175.7 | -74 | -94.6 | 0 | 0 | 0 | 109.9 | S31 S32 L101 S111 R112 K114 F117 L130 E131 I132 | S31-Y119 WeakPolarHBondContact CB-OH 3.2Å; S31-Y119 PolarHBondContact OG-OH 2.86Å; S32-Y119 PolarHBondContact O-OH 2.96Å; L101-Y119 HydrophobicContact CD1-CD1 4.14Å; L101-Y119 HydrophobicContact CD1-CD2 3.91Å; L101-Y119 HydrophobicContact CD1-CE2 4.32Å; L101-Y119 HydrophobicContact CD1-CG 3.78Å; L101-Y119 HydrophobicContact CD2-CD2 4.27Å; L101-Y119 HydrophobicContact CD2-CG 4.26Å; S111-Y119 CarbonylContact C-O 3.45Å; S111-Y119 WeakPolarHBondContact CA-O 3.41Å; R112-Y119 PolarHBondContact N-O 3.36Å; R112-Y119 PolarHBondContact O-N 2.82Å; K114-Y119 HydrophobicContact CB-CD2 3.78Å; K114-Y119 HydrophobicContact CB-CE2 3.8Å; K114-Y119 HydrophobicContact CD-CE2 4.13Å; K114-Y119 HydrophobicContact CG-CE2 4.25Å; F117-Y119 HydrophobicContact CB-CD2 4.44Å; F117-Y119 HydrophobicContact CB-CE2 3.98Å; Y119-L130 HydrophobicContact CD1-CD1 4.24Å; Y119-L130 HydrophobicContact CD1-CD2 4.49Å; Y119-L130 HydrophobicContact CD1-CG 3.89Å; Y119-E131 CarbonylContact C-O 3.49Å; Y119-E131 VanDerWaalsContact CA-O 3.28Å; Y119-E131 WeakPolarHBondContact CA-O 3.39Å; Y119-I132 HydrophobicContact CD1-CG1 3.8Å; Y119-I132 HydrophobicContact CE1-CD1 4.04Å; Y119-I132 HydrophobicContact CE1-CG1 3.4Å; Y119-I132 HydrophobicContact CE2-CG1 4.18Å; Y119-I132 HydrophobicContact CG-CG1 4.39Å |
| 120 | T | 98 | Very high | 95 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.4 | 177.1 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | E110 S111 R122 E131 T133 | E110-T120 WeakPolarHBondContact O-CA 3.38Å; S111-T120 WeakPolarHBondContact OG-CB 3.5Å; S111-T120 WeakPolarHBondContact OG-CG2 3.47Å; S111-T120 PolarHBondContact OG-OG1 3.26Å; T120-R122 HydrophobicContact CG2-CG 3.86Å; T120-R122 PolarHBondContact O-N 3.09Å; T120-E131 PolarHBondContact N-O 2.88Å; T120-E131 PolarHBondContact O-N 3.23Å; T120-T133 HydrophobicContact CG2-CG2 4.4Å; T120-T133 WeakPolarHBondContact OG1-CG2 3.36Å; T120-T133 PolarHBondContact OG1-OG1 2.85Å |
| 121 | C | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 105.3 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | C99 V106 E107 G109 E110 I128 S129 | C99-C121 HydrophobicContact CB-CB 3.62Å; C99-C121 WeakPolarHBondContact CB-SG 3.49Å; C99-C121 PolarHBondContact N-SG 2.92Å; C99-C121 WeakPolarHBondContact SG-CA 3.49Å; C99-C121 WeakPolarHBondContact SG-CB 3.33Å; C99-C121 CovalentContact SG-SG 2.04Å; C99-C121 PolarHBondContact SG-SG 3.22Å; V106-C121 HydrophobicContact CB-CB 4.36Å; V106-C121 HydrophobicContact CG1-CB 3.89Å; E107-C121 WeakPolarHBondContact O-CB 3.15Å; G109-C121 PolarHBondContact N-O 3.41Å; E110-C121 PolarHBondContact O-N 3.2Å; C121-I128 VanDerWaalsContact SG-CD1 3.58Å; C121-S129 CarbonylContact C-O 3.52Å; C121-S129 WeakPolarHBondContact CA-O 3.24Å |
| 122 | R | 96.5 | Very high | 94.9 | Very high | 115 Ų | 115 | 44.4 Ų | 44.4 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.6 | -177.7 | -72.2 | 177.6 | 167.3 | -176.5 | -4.6 | 110.6 | T120 I128 S129 E131 | T120-R122 HydrophobicContact CG2-CG 3.86Å; T120-R122 PolarHBondContact O-N 3.09Å; R122-I128 CarbonylContact O-C 3.56Å; R122-I128 WeakPolarHBondContact O-CA 3.39Å; R122-I128 VanDerWaalsContact O-CG1 3.28Å; R122-I128 WeakPolarHBondContact O-CG1 3.4Å; R122-S129 PolarHBondContact N-O 2.78Å; R122-S129 PolarHBondContact O-N 2.9Å; R122-S129 PolarHBondContact O-OG 2.76Å; R122-E131 WeakPolarHBondContact CD-OE2 3.44Å; R122-E131 IonicContact CZ-OE2 3.52Å; R122-E131 IonicContact NE-OE2 2.82Å; R122-E131 IonicContact NH1-OE2 2.99Å; R122-E131 PolarHBondContact NH1-OE2 2.92Å; R122-E131 VanDerWaalsContact NH1-OE2 3.1Å |
| 123 | Q | 94.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 49% | 0.486 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.8 | 168.4 | -172.5 | 175.7 | 8.3 | 0 | 0 | 108.2 | Y38 K108 | Y38-Q123 PolarHBondContact OH-NE2 3.08Å; K108-Q123 HydrophobicContact CD-CB 4.35Å; K108-Q123 VanDerWaalsContact CD-OE1 3.3Å |
| 124 | Q | 89.2 | Confident | 95 | Very high | 103 Ų | 103 | 38.1 Ų | 38.1 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 163.7 | 172.6 | -62.1 | -177.2 | 7.2 | 0 | 0 | 109.1 | G126 A127 E131 | Q124-G126 PolarHBondContact O-N 3.16Å; Q124-A127 PolarHBondContact N-O 3.34Å; Q124-A127 PolarHBondContact O-N 3.35Å; Q124-A127 VanDerWaalsContact O-N 3.07Å; Q124-E131 PolarHBondContact NE2-OE1 3.23Å |
| 125 | T | 86.1 | Confident | 95.1 | Very high | 155 Ų | 155 | 34.4 Ų | 34.4 | 95% | 0.951 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 114.2 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 126 | G | 84.7 | Confident | 95.3 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 38% | 0.381 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -4.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y38 Q124 | Y38-G126 VanDerWaalsContact CB-O 3.28Å; Y38-G126 WeakPolarHBondContact CB-O 3.27Å; Y38-G126 VanDerWaalsContact CD2-O 3.23Å; Y38-G126 WeakPolarHBondContact CD2-O 3.13Å; Y38-G126 PolarHBondContact N-O 2.75Å; Q124-G126 PolarHBondContact O-N 3.16Å |
| 127 | A | 91.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y36 Y38 Q124 | Y36-A127 VanDerWaalsContact O-CA 3.25Å; Y36-A127 WeakPolarHBondContact O-CA 3.3Å; Y36-A127 WeakPolarHBondContact O-CB 3.28Å; Y38-A127 VanDerWaalsContact CE2-C 3.42Å; Y38-A127 WeakPolarHBondContact CE2-O 3.33Å; Q124-A127 PolarHBondContact N-O 3.34Å; Q124-A127 PolarHBondContact O-N 3.35Å; Q124-A127 VanDerWaalsContact O-N 3.07Å |
| 128 | I | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 148.7 | 155 | -151.8 | 172 | 0 | 0 | 0 | 108.1 | Y36 F80 P96 K108 C121 R122 | Y36-I128 PolarHBondContact N-O 3.03Å; Y36-I128 PolarHBondContact O-N 2.74Å; F80-I128 HydrophobicContact CD1-CG2 3.38Å; F80-I128 HydrophobicContact CE1-CG2 3.51Å; F80-I128 HydrophobicContact CG-CG2 4.27Å; F80-I128 HydrophobicContact CZ-CG2 4.47Å; P96-I128 HydrophobicContact CB-CB 4.09Å; P96-I128 HydrophobicContact CB-CG2 3.34Å; P96-I128 HydrophobicContact CG-CB 3.98Å; P96-I128 HydrophobicContact CG-CG2 3.5Å; K108-I128 HydrophobicContact CG-CD1 4.06Å; C121-I128 VanDerWaalsContact SG-CD1 3.58Å; R122-I128 CarbonylContact O-C 3.56Å; R122-I128 WeakPolarHBondContact O-CA 3.39Å; R122-I128 VanDerWaalsContact O-CG1 3.28Å; R122-I128 WeakPolarHBondContact O-CG1 3.4Å |
| 129 | S | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.2 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | Y34 H35 C121 R122 E131 | Y34-S129 CarbonylContact O-C 3.59Å; Y34-S129 VanDerWaalsContact O-CA 3.28Å; Y34-S129 WeakPolarHBondContact O-CA 3.49Å; H35-S129 WeakPolarHBondContact ND1-CB 3.29Å; C121-S129 CarbonylContact C-O 3.52Å; C121-S129 WeakPolarHBondContact CA-O 3.24Å; R122-S129 PolarHBondContact N-O 2.78Å; R122-S129 PolarHBondContact O-N 2.9Å; R122-S129 PolarHBondContact O-OG 2.76Å; S129-E131 WeakPolarHBondContact CB-OE1 3.09Å; S129-E131 WeakPolarHBondContact OG-CG 3.48Å; S129-E131 PolarHBondContact OG-OE1 3.35Å |
| 130 | L | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 88 | 166.9 | -177.2 | 61.4 | 0 | 0 | 0 | 106.6 | S33 Y34 F80 C99 I100 L101 Y119 | S33-L130 WeakPolarHBondContact CA-O 3.5Å; Y34-L130 HydrophobicContact CD2-CD2 4.31Å; Y34-L130 PolarHBondContact N-O 2.04Å; Y34-L130 PolarHBondContact O-N 2.9Å; F80-L130 HydrophobicContact CE1-CB 4.42Å; C99-L130 HydrophobicContact CB-CB 4.16Å; C99-L130 HydrophobicContact CB-CD1 3.88Å; C99-L130 HydrophobicContact CB-CG 4.42Å; I100-L130 VanDerWaalsContact O-CD2 3.29Å; I100-L130 WeakPolarHBondContact O-CD2 3.32Å; L101-L130 HydrophobicContact CD1-CD2 3.98Å; Y119-L130 HydrophobicContact CD1-CD1 4.24Å; Y119-L130 HydrophobicContact CD1-CD2 4.49Å; Y119-L130 HydrophobicContact CD1-CG 3.89Å |
| 131 | E | 96.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.9 | -172.1 | -72.1 | 174.2 | -165.5 | 0 | 0 | 111.3 | H35 Y119 T120 R122 Q124 S129 T133 | H35-E131 IonicContact CE1-OE1 2.66Å; Y119-E131 CarbonylContact C-O 3.49Å; Y119-E131 VanDerWaalsContact CA-O 3.28Å; Y119-E131 WeakPolarHBondContact CA-O 3.39Å; T120-E131 PolarHBondContact N-O 2.88Å; T120-E131 PolarHBondContact O-N 3.23Å; R122-E131 WeakPolarHBondContact CD-OE2 3.44Å; R122-E131 IonicContact CZ-OE2 3.52Å; R122-E131 IonicContact NE-OE2 2.82Å; R122-E131 IonicContact NH1-OE2 2.99Å; R122-E131 PolarHBondContact NH1-OE2 2.92Å; R122-E131 VanDerWaalsContact NH1-OE2 3.1Å; Q124-E131 PolarHBondContact NE2-OE1 3.23Å; S129-E131 WeakPolarHBondContact CB-OE1 3.09Å; S129-E131 WeakPolarHBondContact OG-CG 3.48Å; S129-E131 PolarHBondContact OG-OE1 3.35Å; E131-T133 PolarHBondContact O-N 2.99Å |
| 132 | I | 97.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.4 | 165 | -62.1 | 166.9 | 0 | 0 | 0 | 107.7 | S31 S33 F117 V118 Y119 G134 I145 V165 | S31-I132 VanDerWaalsContact C-CD1 3.46Å; S31-I132 WeakPolarHBondContact O-CD1 3.35Å; S33-I132 PolarHBondContact OG-N 3.27Å; F117-I132 HydrophobicContact CB-CD1 4.46Å; F117-I132 HydrophobicContact CB-CG1 4.39Å; F117-I132 HydrophobicContact CB-CG2 3.91Å; F117-I132 HydrophobicContact CD1-CD1 4.39Å; F117-I132 HydrophobicContact CD1-CG2 3.85Å; F117-I132 HydrophobicContact CG-CD1 4.32Å; F117-I132 HydrophobicContact CG-CG2 4.24Å; V118-I132 CarbonylContact O-C 3.44Å; V118-I132 VanDerWaalsContact O-CA 3.3Å; V118-I132 WeakPolarHBondContact O-CA 3Å; Y119-I132 HydrophobicContact CD1-CG1 3.8Å; Y119-I132 HydrophobicContact CE1-CD1 4.04Å; Y119-I132 HydrophobicContact CE1-CG1 3.4Å; Y119-I132 HydrophobicContact CE2-CG1 4.18Å; Y119-I132 HydrophobicContact CG-CG1 4.39Å; I132-G134 WeakPolarHBondContact CG2-O 3.44Å; I132-I145 VanDerWaalsContact O-CD1 3.27Å; I132-I145 WeakPolarHBondContact O-CD1 3.49Å; I132-V165 HydrophobicContact CB-CB 4.1Å; I132-V165 HydrophobicContact CB-CG2 3.65Å; I132-V165 HydrophobicContact CD1-CB 3.96Å; I132-V165 HydrophobicContact CD1-CG2 4.17Å; I132-V165 HydrophobicContact CG2-CB 3.73Å; I132-V165 HydrophobicContact CG2-CG1 3.9Å; I132-V165 HydrophobicContact CG2-CG2 3.67Å |
| 133 | T | 97.4 | Very high | 94.5 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -13.2 | -178.9 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | V118 T120 E131 | V118-T133 PolarHBondContact O-N 3.47Å; V118-T133 PolarHBondContact O-OG1 2.89Å; T120-T133 HydrophobicContact CG2-CG2 4.4Å; T120-T133 WeakPolarHBondContact OG1-CG2 3.36Å; T120-T133 PolarHBondContact OG1-OG1 2.85Å; E131-T133 PolarHBondContact O-N 2.99Å |
| 134 | G | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F117 V118 I132 A143 | F117-G134 WeakPolarHBondContact CA-O 3.06Å; V118-G134 PolarHBondContact N-O 3.1Å; I132-G134 WeakPolarHBondContact CG2-O 3.44Å; G134-A143 CarbonylContact C-O 3.49Å; G134-A143 WeakPolarHBondContact CA-O 3.39Å |
| 135 | C | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.3 | 176.6 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | V142 A143 F149 C158 Q167 | C135-V142 WeakPolarHBondContact O-CA 3.27Å; C135-A143 PolarHBondContact N-O 3.47Å; C135-A143 PolarHBondContact O-N 3.04Å; C135-F149 HydrophobicContact CB-CD1 4.15Å; C135-F149 HydrophobicContact CB-CE1 3.46Å; C135-F149 VanDerWaalsContact CB-CE1 3.46Å; C135-F149 HydrophobicContact CB-CE2 4.47Å; C135-F149 HydrophobicContact CB-CZ 3.65Å; C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.49Å; C135-C158 PolarHBondContact N-SG 2.83Å; C135-C158 VanDerWaalsContact SG-CA 3.52Å; C135-C158 WeakPolarHBondContact SG-CB 3.29Å; C135-C158 CovalentContact SG-SG 2.04Å; C135-C158 PolarHBondContact SG-SG 2.79Å; C135-Q167 HydrophobicContact CB-CG 4.17Å |
| 136 | I | 97.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.6 | -179.6 | -54.8 | 173 | 0 | 0 | 0 | 109.4 | P113 S116 F117 V118 | P113-I136 HydrophobicContact CB-CD1 3.47Å; P113-I136 VanDerWaalsContact CB-CD1 3.47Å; S116-I136 PolarHBondContact O-N 2.71Å; F117-I136 WeakPolarHBondContact O-CD1 3.33Å; V118-I136 HydrophobicContact CG2-CD1 4.02Å; V118-I136 HydrophobicContact CG2-CG1 3.72Å |
| 137 | G | 95.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | trans | -102.1 | -158.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | A141 T150 | G137-A141 PolarHBondContact N-O 3.08Å; G137-T150 VanDerWaalsContact CA-O 3.27Å; G137-T150 WeakPolarHBondContact CA-O 3.24Å | ||
| 138 | D | 93.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 45 Ų | 45 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -62.4 | 150.1 | 174.1 | -63.2 | -36.9 | 0 | 0 | 0 | 111.7 | H140 A141 T150 R151 K152 | D138-H140 PolarHBondContact O-N 2.63Å; D138-H140 VanDerWaalsContact O-N 3.13Å; D138-A141 WeakPolarHBondContact O-CB 3.31Å; D138-A141 PolarHBondContact O-N 3.13Å; D138-A141 VanDerWaalsContact O-N 3.09Å; D138-T150 PolarHBondContact N-O 3.1Å; D138-R151 VanDerWaalsContact CG-CA 3.47Å; D138-R151 VanDerWaalsContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD2-CA 3.37Å; D138-R151 PolarHBondContact OD2-N 2.95Å; D138-K152 VanDerWaalsContact CG-N 3.28Å; D138-K152 PolarHBondContact OD1-N 3.04Å; D138-K152 PolarHBondContact OD2-N 2.93Å |
| 139 | G | 93.5 | Very high | 96.7 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 83% | 0.825 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | 60.6 | 22.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A141 | G139-A141 PolarHBondContact O-N 2.66Š|
| 140 | H | 93 | Very high | 96.6 | Very high | 162 Ų | 162 | 48.5 Ų | 48.5 | 75% | 0.75 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | 61.3 | 18.1 | -173.6 | -57 | -79.1 | 0 | 0 | 0 | 114.9 | D138 V142 | D138-H140 PolarHBondContact O-N 2.63Å; D138-H140 VanDerWaalsContact O-N 3.13Å; H140-V142 PolarHBondContact O-N 2.87Å |
| 141 | A | 95.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 130.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G137 D138 G139 | G137-A141 PolarHBondContact N-O 3.08Å; D138-A141 WeakPolarHBondContact O-CB 3.31Å; D138-A141 PolarHBondContact O-N 3.13Å; D138-A141 VanDerWaalsContact O-N 3.09Å; G139-A141 PolarHBondContact O-N 2.66Å |
| 142 | V | 97.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 55 Ų | 55 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V118 C135 H140 | V118-V142 HydrophobicContact CB-CG1 4.31Å; V118-V142 HydrophobicContact CG2-CB 4.3Å; V118-V142 HydrophobicContact CG2-CG1 3.63Å; V118-V142 HydrophobicContact CG2-CG2 3.66Å; C135-V142 WeakPolarHBondContact O-CA 3.27Å; H140-V142 PolarHBondContact O-N 2.87Å |
| 143 | A | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G134 C135 K147 F149 | G134-A143 CarbonylContact C-O 3.49Å; G134-A143 WeakPolarHBondContact CA-O 3.39Å; C135-A143 PolarHBondContact N-O 3.47Å; C135-A143 PolarHBondContact O-N 3.04Å; A143-K147 HydrophobicContact CB-CB 4.4Å; A143-F149 HydrophobicContact CB-CB 3.69Å; A143-F149 HydrophobicContact CB-CD1 3.68Å; A143-F149 HydrophobicContact CB-CG 3.95Å |
| 144 | P | 97.8 | Very high | 95.8 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 158.2 | 169.6 | -23.3 | 33.3 | 0 | 0 | 0 | 112 | G146 K147 | P144-G146 PolarHBondContact O-N 2.78Å; P144-K147 HydrophobicContact CB-CG 4.14Å; P144-K147 HydrophobicContact CG-CG 4.32Å; P144-K147 WeakPolarHBondContact O-CB 3.43Å; P144-K147 PolarHBondContact O-N 2.79Å |
| 145 | I | 97.7 | Very high | 95.7 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.9 | 169.4 | -65.9 | 163.7 | 0 | 0 | 0 | 109.8 | I132 K147 Q160 V165 | I132-I145 VanDerWaalsContact O-CD1 3.27Å; I132-I145 WeakPolarHBondContact O-CD1 3.49Å; I145-K147 VanDerWaalsContact C-N 3.31Å; I145-Q160 HydrophobicContact CD1-CB 4.33Å; I145-Q160 HydrophobicContact CG2-CB 3.78Å; I145-V165 HydrophobicContact CD1-CG2 4.25Å |
| 146 | G | 97.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -8.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P144 C158 | P144-G146 PolarHBondContact O-N 2.78Å; G146-C158 WeakPolarHBondContact CA-O 3.24Å; G146-C158 PolarHBondContact N-O 3.27Å |
| 147 | K | 98.1 | Very high | 95.6 | Very high | 132 Ų | 132 | 57 Ų | 57 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | trans | -98.8 | 152.7 | 179.7 | -58.9 | -59.7 | -176.1 | 179.4 | 0 | 112.3 | A143 P144 I145 C158 | A143-K147 HydrophobicContact CB-CB 4.4Å; P144-K147 HydrophobicContact CB-CG 4.14Å; P144-K147 HydrophobicContact CG-CG 4.32Å; P144-K147 WeakPolarHBondContact O-CB 3.43Å; P144-K147 PolarHBondContact O-N 2.79Å; I145-K147 VanDerWaalsContact C-N 3.31Å; K147-C158 PolarHBondContact O-N 2.82Å | ||
| 148 | T | 97 | Very high | 95.7 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 150.6 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | F156 I157 | T148-F156 CarbonylContact C-O 3.52Å; T148-F156 WeakPolarHBondContact CA-O 2.97Å; T148-F156 WeakPolarHBondContact CB-O 3.44Å; T148-I157 HydrophobicContact CG2-CB 4.17Å; T148-I157 HydrophobicContact CG2-CG1 4.39Å |
| 149 | F | 96.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 163.8 | 174.2 | 61.5 | -79.1 | 0 | 0 | 0 | 110.6 | C135 A143 R151 F156 C158 Q167 | C135-F149 HydrophobicContact CB-CD1 4.15Å; C135-F149 HydrophobicContact CB-CE1 3.46Å; C135-F149 VanDerWaalsContact CB-CE1 3.46Å; C135-F149 HydrophobicContact CB-CE2 4.47Å; C135-F149 HydrophobicContact CB-CZ 3.65Å; A143-F149 HydrophobicContact CB-CB 3.69Å; A143-F149 HydrophobicContact CB-CD1 3.68Å; A143-F149 HydrophobicContact CB-CG 3.95Å; F149-R151 HydrophobicContact CE2-CB 4.43Å; F149-F156 HydrophobicContact CD1-CB 4.05Å; F149-F156 HydrophobicContact CD2-CB 4.24Å; F149-F156 HydrophobicContact CE1-CB 3.54Å; F149-F156 HydrophobicContact CE2-CB 3.79Å; F149-F156 HydrophobicContact CE2-CD2 4.17Å; F149-F156 HydrophobicContact CE2-CG 4.11Å; F149-F156 HydrophobicContact CG-CB 4.37Å; F149-F156 HydrophobicContact CZ-CB 3.39Å; F149-F156 AromaticContact CZ-CG 4Å; F149-F156 HydrophobicContact CZ-CG 4Å; F149-F156 PolarHBondContact N-O 2.84Å; F149-F156 PolarHBondContact O-N 2.88Å; F149-C158 HydrophobicContact CE1-CB 4.14Å; F149-Q167 HydrophobicContact CZ-CB 4.12Å; F149-Q167 HydrophobicContact CZ-CG 3.83Å |
| 150 | T | 95.5 | Very high | 96 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 145 | 175.1 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | G137 D138 F154 I173 | G137-T150 VanDerWaalsContact CA-O 3.27Å; G137-T150 WeakPolarHBondContact CA-O 3.24Å; D138-T150 PolarHBondContact N-O 3.1Å; T150-F154 WeakPolarHBondContact CA-O 3.27Å; T150-I173 HydrophobicContact CG2-CD1 3.59Å |
| 151 | R | 92.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 116.1 | 166.3 | -174.6 | -179.7 | 64.7 | -165.9 | -6.1 | 109.5 | D138 F149 F154 F156 Q167 | D138-R151 VanDerWaalsContact CG-CA 3.47Å; D138-R151 VanDerWaalsContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD2-CA 3.37Å; D138-R151 PolarHBondContact OD2-N 2.95Å; F149-R151 HydrophobicContact CE2-CB 4.43Å; R151-F154 PolarHBondContact N-O 2.9Å; R151-F154 PolarHBondContact O-N 2.93Å; R151-F156 HydrophobicContact CB-CD2 3.93Å; R151-F156 HydrophobicContact CB-CE2 3.68Å; R151-Q167 VanDerWaalsContact CZ-OE1 3.28Å |
| 152 | K | 91.1 | Very high | 96 | Very high | 134 Ų | 134 | 54.4 Ų | 54.4 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | -138.6 | -167.4 | -54.8 | -179 | 173.5 | -166.7 | 0 | 109.5 | D138 F154 | D138-K152 VanDerWaalsContact CG-N 3.28Å; D138-K152 PolarHBondContact OD1-N 3.04Å; D138-K152 PolarHBondContact OD2-N 2.93Å; K152-F154 PolarHBondContact O-N 3.44Å |
| 153 | S | 92.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 30.8 | -179.2 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | I173 | S153-I173 PolarHBondContact O-N 2.83Š|
| 154 | F | 95.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.2 | -175.3 | -57.8 | -76.9 | 0 | 0 | 0 | 113.2 | E23 S24 V26 T150 R151 K152 F156 G171 C172 I202 | E23-F154 WeakPolarHBondContact O-CE2 3.4Å; S24-F154 WeakPolarHBondContact O-CZ 3.44Å; V26-F154 HydrophobicContact CB-CD2 3.8Å; V26-F154 HydrophobicContact CB-CE2 3.84Å; V26-F154 HydrophobicContact CB-CG 4.31Å; V26-F154 HydrophobicContact CB-CZ 4.38Å; V26-F154 HydrophobicContact CG1-CB 4.21Å; V26-F154 HydrophobicContact CG1-CD1 3.95Å; V26-F154 HydrophobicContact CG1-CD2 3.67Å; V26-F154 HydrophobicContact CG1-CE1 4.23Å; V26-F154 HydrophobicContact CG1-CE2 3.97Å; V26-F154 HydrophobicContact CG1-CG 3.65Å; V26-F154 HydrophobicContact CG1-CZ 4.24Å; T150-F154 WeakPolarHBondContact CA-O 3.27Å; R151-F154 PolarHBondContact N-O 2.9Å; R151-F154 PolarHBondContact O-N 2.93Å; K152-F154 PolarHBondContact O-N 3.44Å; F154-F156 HydrophobicContact CB-CD2 4.31Å; F154-F156 HydrophobicContact CB-CE2 3.52Å; F154-F156 HydrophobicContact CB-CZ 3.94Å; F154-G171 WeakPolarHBondContact CA-O 3.47Å; F154-C172 HydrophobicContact CD1-CB 4.48Å; F154-I202 HydrophobicContact CB-CD1 4.37Å; F154-I202 HydrophobicContact CD1-CD1 3.53Å; F154-I202 HydrophobicContact CD1-CG1 3.55Å; F154-I202 HydrophobicContact CE1-CD1 4.27Å; F154-I202 HydrophobicContact CE1-CG1 3.87Å; F154-I202 HydrophobicContact CG-CD1 4.32Å; F154-I202 HydrophobicContact CG-CG1 4.41Å |
| 155 | T | 96 | Very high | 95.7 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.4 | 171.4 | -53.3 | 0 | 0 | 0 | 0 | 109.6 | V170 G171 | T155-V170 HydrophobicContact CG2-CG2 3.94Å; T155-V170 WeakPolarHBondContact O-CG2 3.02Å; T155-V170 PolarHBondContact O-N 3.36Å; T155-G171 PolarHBondContact N-O 2.87Å; T155-G171 PolarHBondContact O-N 3.1Å |
| 156 | F | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 161.1 | 177.8 | -64.7 | -95.9 | 0 | 0 | 0 | 110.5 | V26 T148 F149 R151 F154 Q167 K168 A169 | V26-F156 HydrophobicContact CB-CZ 4.13Å; V26-F156 HydrophobicContact CG1-CE1 4.08Å; V26-F156 HydrophobicContact CG1-CZ 3.59Å; V26-F156 HydrophobicContact CG2-CE1 4.16Å; V26-F156 HydrophobicContact CG2-CZ 3.56Å; T148-F156 CarbonylContact C-O 3.52Å; T148-F156 WeakPolarHBondContact CA-O 2.97Å; T148-F156 WeakPolarHBondContact CB-O 3.44Å; F149-F156 HydrophobicContact CD1-CB 4.05Å; F149-F156 HydrophobicContact CD2-CB 4.24Å; F149-F156 HydrophobicContact CE1-CB 3.54Å; F149-F156 HydrophobicContact CE2-CB 3.79Å; F149-F156 HydrophobicContact CE2-CD2 4.17Å; F149-F156 HydrophobicContact CE2-CG 4.11Å; F149-F156 HydrophobicContact CG-CB 4.37Å; F149-F156 HydrophobicContact CZ-CB 3.39Å; F149-F156 AromaticContact CZ-CG 4Å; F149-F156 HydrophobicContact CZ-CG 4Å; F149-F156 PolarHBondContact N-O 2.84Å; F149-F156 PolarHBondContact O-N 2.88Å; R151-F156 HydrophobicContact CB-CD2 3.93Å; R151-F156 HydrophobicContact CB-CE2 3.68Å; F154-F156 HydrophobicContact CB-CD2 4.31Å; F154-F156 HydrophobicContact CB-CE2 3.52Å; F154-F156 HydrophobicContact CB-CZ 3.94Å; F156-Q167 HydrophobicContact CD1-CB 4.19Å; F156-K168 CarbonylContact C-O 3.53Å; F156-K168 VanDerWaalsContact CA-O 3.27Å; F156-K168 WeakPolarHBondContact CA-O 3.47Å; F156-A169 HydrophobicContact CD1-CB 3.85Å; F156-A169 HydrophobicContact CE1-CB 3.59Å; F156-A169 HydrophobicContact CZ-CB 4.23Å |
| 157 | I | 96.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.7 | 164 | -174.7 | 170.2 | 0 | 0 | 0 | 109 | T148 I159 K168 V170 | T148-I157 HydrophobicContact CG2-CB 4.17Å; T148-I157 HydrophobicContact CG2-CG1 4.39Å; I157-I159 HydrophobicContact CB-CG1 4.43Å; I157-I159 HydrophobicContact CD1-CG1 4.4Å; I157-I159 HydrophobicContact CG1-CG1 4.05Å; I157-I159 HydrophobicContact CG2-CD1 3.57Å; I157-I159 HydrophobicContact CG2-CG1 3.77Å; I157-K168 HydrophobicContact CG2-CB 3.98Å; I157-K168 PolarHBondContact N-O 2.97Å; I157-K168 PolarHBondContact O-N 3.14Å; I157-V170 HydrophobicContact CB-CG1 4.31Å; I157-V170 HydrophobicContact CG2-CG1 3.5Å; I157-V170 VanDerWaalsContact CG2-CG1 3.5Å |
| 158 | C | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 110 | 175 | -163.4 | 0 | 0 | 0 | 0 | 109 | C135 G146 K147 F149 | C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.49Å; C135-C158 PolarHBondContact N-SG 2.83Å; C135-C158 VanDerWaalsContact SG-CA 3.52Å; C135-C158 WeakPolarHBondContact SG-CB 3.29Å; C135-C158 CovalentContact SG-SG 2.04Å; C135-C158 PolarHBondContact SG-SG 2.79Å; G146-C158 WeakPolarHBondContact CA-O 3.24Å; G146-C158 PolarHBondContact N-O 3.27Å; K147-C158 PolarHBondContact O-N 2.82Å; F149-C158 HydrophobicContact CE1-CB 4.14Å |
| 159 | I | 96.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.8 | -175 | -61.8 | 174 | 0 | 0 | 0 | 109.7 | I157 Q161 V165 I166 K168 | I157-I159 HydrophobicContact CB-CG1 4.43Å; I157-I159 HydrophobicContact CD1-CG1 4.4Å; I157-I159 HydrophobicContact CG1-CG1 4.05Å; I157-I159 HydrophobicContact CG2-CD1 3.57Å; I157-I159 HydrophobicContact CG2-CG1 3.77Å; I159-Q161 HydrophobicContact CG2-CG 4.06Å; I159-V165 CarbonylContact O-C 3.49Å; I159-V165 WeakPolarHBondContact O-CA 3.34Å; I159-I166 PolarHBondContact N-O 2.91Å; I159-I166 PolarHBondContact O-N 3.38Å; I159-K168 HydrophobicContact CD1-CB 3.92Å; I159-K168 HydrophobicContact CD1-CD 3.75Å; I159-K168 HydrophobicContact CD1-CG 4.49Å |
| 160 | Q | 97 | Very high | 95.1 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.1 | 168.7 | -174.4 | 172.9 | 10.7 | 0 | 0 | 110.6 | I145 G162 V165 | I145-Q160 HydrophobicContact CD1-CB 4.33Å; I145-Q160 HydrophobicContact CG2-CB 3.78Å; Q160-G162 WeakPolarHBondContact CG-O 3.49Å; Q160-G162 PolarHBondContact NE2-O 2.82Å; Q160-G162 VanDerWaalsContact NE2-O 3.16Å; Q160-V165 HydrophobicContact CB-CG2 4.25Å; Q160-V165 HydrophobicContact CG-CG2 4.21Å |
| 161 | Q | 94.9 | Very high | 95.2 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 92.5 | 174.7 | -65.6 | -170.3 | -17.3 | 0 | 0 | 108.4 | I159 N163 T164 I166 | I159-Q161 HydrophobicContact CG2-CG 4.06Å; Q161-N163 PolarHBondContact O-N 3.05Å; Q161-T164 CarbonylContact C-O 3.52Å; Q161-T164 PolarHBondContact N-O 2.78Å; Q161-T164 PolarHBondContact O-N 3.16Å; Q161-T164 VanDerWaalsContact O-N 3.08Å; Q161-I166 HydrophobicContact CG-CD1 4.28Å |
| 162 | G | 93.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 61% | 0.608 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -124.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q160 T164 | Q160-G162 WeakPolarHBondContact CG-O 3.49Å; Q160-G162 PolarHBondContact NE2-O 2.82Å; Q160-G162 VanDerWaalsContact NE2-O 3.16Å; G162-T164 VanDerWaalsContact C-N 3.31Å |
| 163 | N | 93.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 36.7 Ų | 36.7 | 46% | 0.46 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -8.5 | 175.8 | -69.7 | -26 | 0 | 0 | 0 | 113.3 | S32 S33 H35 Q161 | S32-N163 CarbonylContact C-O 3.43Å; S32-N163 WeakPolarHBondContact CA-O 3.35Å; S33-N163 PolarHBondContact N-O 3.02Å; S33-N163 PolarHBondContact OG-O 3.06Å; H35-N163 PolarHBondContact NE2-OD1 2.95Å; Q161-N163 PolarHBondContact O-N 3.05Å |
| 164 | T | 95.6 | Very high | 95.6 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 27% | 0.27 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.5 | -177.5 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | S31 Q161 G162 I166 | S31-T164 CarbonylContact O-C 3.52Å; S31-T164 VanDerWaalsContact O-CA 3.29Å; S31-T164 WeakPolarHBondContact O-CA 3.18Å; S31-T164 WeakPolarHBondContact O-CG2 3.29Å; Q161-T164 CarbonylContact C-O 3.52Å; Q161-T164 PolarHBondContact N-O 2.78Å; Q161-T164 PolarHBondContact O-N 3.16Å; Q161-T164 VanDerWaalsContact O-N 3.08Å; G162-T164 VanDerWaalsContact C-N 3.31Å; T164-I166 HydrophobicContact CG2-CD1 4.48Å; T164-I166 HydrophobicContact CG2-CG1 3.95Å |
| 165 | V | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.6 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 109 | S30 S31 F117 I132 I145 I159 Q160 | S30-V165 CarbonylContact C-O 3.49Å; S30-V165 VanDerWaalsContact CA-O 3.24Å; S30-V165 WeakPolarHBondContact CA-O 3.09Å; S31-V165 PolarHBondContact N-O 3.37Å; S31-V165 PolarHBondContact O-N 3.35Å; F117-V165 HydrophobicContact CD1-CB 4.39Å; F117-V165 HydrophobicContact CD1-CG1 4.12Å; F117-V165 HydrophobicContact CE1-CB 4.24Å; F117-V165 HydrophobicContact CE1-CG1 3.96Å; I132-V165 HydrophobicContact CB-CB 4.1Å; I132-V165 HydrophobicContact CB-CG2 3.65Å; I132-V165 HydrophobicContact CD1-CB 3.96Å; I132-V165 HydrophobicContact CD1-CG2 4.17Å; I132-V165 HydrophobicContact CG2-CB 3.73Å; I132-V165 HydrophobicContact CG2-CG1 3.9Å; I132-V165 HydrophobicContact CG2-CG2 3.67Å; I145-V165 HydrophobicContact CD1-CG2 4.25Å; I159-V165 CarbonylContact O-C 3.49Å; I159-V165 WeakPolarHBondContact O-CA 3.34Å; Q160-V165 HydrophobicContact CB-CG2 4.25Å; Q160-V165 HydrophobicContact CG-CG2 4.21Å |
| 166 | I | 95.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.3 | -173.3 | -52.9 | -178.5 | 0 | 0 | 0 | 109.4 | L28 K29 I159 Q161 T164 K168 | L28-I166 HydrophobicContact CD1-CG2 3.37Å; L28-I166 HydrophobicContact CD2-CG2 3.86Å; L28-I166 HydrophobicContact CG-CG2 3.6Å; K29-I166 CarbonylContact O-C 3.51Å; K29-I166 WeakPolarHBondContact O-CA 3.43Å; I159-I166 PolarHBondContact N-O 2.91Å; I159-I166 PolarHBondContact O-N 3.38Å; Q161-I166 HydrophobicContact CG-CD1 4.28Å; T164-I166 HydrophobicContact CG2-CD1 4.48Å; T164-I166 HydrophobicContact CG2-CG1 3.95Å; I166-K168 PolarHBondContact O-N 2.72Å |
| 167 | Q | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 94.4 | 168.3 | -60.9 | -167.3 | -14.5 | 0 | 0 | 109.5 | K29 S116 F117 C135 F149 R151 F156 | K29-Q167 HydrophobicContact CB-CB 4.4Å; K29-Q167 HydrophobicContact CB-CG 4.48Å; K29-Q167 PolarHBondContact O-N 2.97Å; S116-Q167 VanDerWaalsContact CB-NE2 3.34Å; S116-Q167 PolarHBondContact O-NE2 2.83Å; F117-Q167 HydrophobicContact CE1-CG 3.86Å; F117-Q167 HydrophobicContact CZ-CG 4.07Å; C135-Q167 HydrophobicContact CB-CG 4.17Å; F149-Q167 HydrophobicContact CZ-CB 4.12Å; F149-Q167 HydrophobicContact CZ-CG 3.83Å; R151-Q167 VanDerWaalsContact CZ-OE1 3.28Å; F156-Q167 HydrophobicContact CD1-CB 4.19Å |
| 168 | K | 94.4 | Very high | 95 | Very high | 105 Ų | 105 | 53 Ų | 53 | 46% | 0.457 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.9 | -178.8 | -175.6 | 178.4 | -179.4 | 179.6 | 0 | 109.9 | F156 I157 I159 I166 | F156-K168 CarbonylContact C-O 3.53Å; F156-K168 VanDerWaalsContact CA-O 3.27Å; F156-K168 WeakPolarHBondContact CA-O 3.47Å; I157-K168 HydrophobicContact CG2-CB 3.98Å; I157-K168 PolarHBondContact N-O 2.97Å; I157-K168 PolarHBondContact O-N 3.14Å; I159-K168 HydrophobicContact CD1-CB 3.92Å; I159-K168 HydrophobicContact CD1-CD 3.75Å; I159-K168 HydrophobicContact CD1-CG 4.49Å; I166-K168 PolarHBondContact O-N 2.72Å |
| 169 | A | 94.9 | Very high | 95 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 131.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V26 F156 I202 | V26-A169 HydrophobicContact CG1-CB 4.18Å; F156-A169 HydrophobicContact CD1-CB 3.85Å; F156-A169 HydrophobicContact CE1-CB 3.59Å; F156-A169 HydrophobicContact CZ-CB 4.23Å; A169-I202 HydrophobicContact CB-CB 4.39Å; A169-I202 HydrophobicContact CB-CD1 3.47Å; A169-I202 VanDerWaalsContact CB-CD1 3.47Å; A169-I202 HydrophobicContact CB-CG1 3.53Å; A169-I202 HydrophobicContact CB-CG2 4.09Å |
| 170 | V | 95.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | -8.9 | -173.2 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | T155 I157 V181 | T155-V170 HydrophobicContact CG2-CG2 3.94Å; T155-V170 WeakPolarHBondContact O-CG2 3.02Å; T155-V170 PolarHBondContact O-N 3.36Å; I157-V170 HydrophobicContact CB-CG1 4.31Å; I157-V170 HydrophobicContact CG2-CG1 3.5Å; I157-V170 VanDerWaalsContact CG2-CG1 3.5Å; V170-V181 WeakPolarHBondContact O-CG2 3.34Å |
| 171 | G | 96.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 164.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F154 T155 V179 I202 | F154-G171 WeakPolarHBondContact CA-O 3.47Å; T155-G171 PolarHBondContact N-O 2.87Å; T155-G171 PolarHBondContact O-N 3.1Å; G171-V179 CarbonylContact C-O 3.52Å; G171-V179 WeakPolarHBondContact CA-O 3.1Å; G171-I202 VanDerWaalsContact C-CD1 3.44Å; G171-I202 WeakPolarHBondContact O-CD1 3.08Å |
| 172 | C | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 157.2 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 109 | F154 I174 Q178 V179 C194 A204 | F154-C172 HydrophobicContact CD1-CB 4.48Å; C172-I174 HydrophobicContact CB-CD1 4.27Å; C172-I174 HydrophobicContact CB-CG1 4.09Å; C172-Q178 CarbonylContact O-C 3.47Å; C172-Q178 WeakPolarHBondContact O-CA 3.48Å; C172-V179 PolarHBondContact N-O 3.12Å; C172-V179 PolarHBondContact O-N 3.47Å; C172-C194 HydrophobicContact CB-CB 3.73Å; C172-C194 WeakPolarHBondContact CB-SG 3.43Å; C172-C194 PolarHBondContact N-SG 2.05Å; C172-C194 VanDerWaalsContact SG-CA 3.53Å; C172-C194 WeakPolarHBondContact SG-CB 3.4Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 3.3Å; C172-A204 HydrophobicContact CB-CB 4.17Å |
| 173 | I | 95.3 | Very high | 95 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.195 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110 | 169.4 | -55.6 | 173 | 0 | 0 | 0 | 106 | T150 S153 Q177 Q178 | T150-I173 HydrophobicContact CG2-CD1 3.59Å; S153-I173 PolarHBondContact O-N 2.83Å; I173-Q177 CarbonylContact C-O 3.47Å; I173-Q177 WeakPolarHBondContact CA-O 3.29Å; I173-Q178 HydrophobicContact CG1-CG 4.4Å |
| 174 | I | 93.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.1 | -175.9 | -56.9 | 178.9 | 0 | 0 | 0 | 106.7 | C172 G176 Q177 V179 I185 Y192 A204 | C172-I174 HydrophobicContact CB-CD1 4.27Å; C172-I174 HydrophobicContact CB-CG1 4.09Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 3.33Å; I174-Q177 PolarHBondContact N-O 3.07Å; I174-Q177 PolarHBondContact O-N 2.86Å; I174-V179 HydrophobicContact CB-CG2 4.32Å; I174-V179 HydrophobicContact CD1-CB 4.5Å; I174-V179 HydrophobicContact CD1-CG2 4.23Å; I174-V179 HydrophobicContact CG1-CG2 4.34Å; I174-I185 HydrophobicContact CB-CG2 4.29Å; I174-I185 HydrophobicContact CD1-CG2 4.03Å; I174-I185 HydrophobicContact CG2-CG2 4.13Å; I174-Y192 HydrophobicContact CD1-CG 4.42Å; I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.06Å; I174-Y192 HydrophobicContact CG2-CG 4.03Å; I174-A204 HydrophobicContact CD1-CB 4.06Å; I174-A204 HydrophobicContact CG1-CB 4.19Å |
| 175 | N | 90.8 | Very high | 95.2 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 50.1 | -172.6 | -166.3 | 60.6 | 0 | 0 | 0 | 113.2 | Q177 F187 | N175-Q177 PolarHBondContact O-N 3.12Å; N175-F187 HydrophobicContact CB-CD1 3.95Å; N175-F187 HydrophobicContact CB-CD2 4Å; N175-F187 HydrophobicContact CB-CE1 3.96Å; N175-F187 HydrophobicContact CB-CE2 4.06Å; N175-F187 HydrophobicContact CB-CG 3.96Å; N175-F187 HydrophobicContact CB-CZ 4.03Å; N175-F187 VanDerWaalsContact CG-CE2 3.41Å; N175-F187 WeakPolarHBondContact ND2-CD2 3.18Å; N175-F187 WeakPolarHBondContact ND2-CE2 2.9Å; N175-F187 WeakPolarHBondContact ND2-CZ 3.49Å; N175-F187 WeakPolarHBondContact OD1-CZ 3.22Å |
| 176 | G | 92 | Very high | 95.1 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 73% | 0.732 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -12.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I174 | I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 3.33Å |
| 177 | Q | 94.2 | Very high | 95 | Very high | 115 Ų | 115 | 62.4 Ų | 62.4 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.8 | 178.8 | -174.3 | 169.9 | -22.4 | 0 | 0 | 111.8 | I173 I174 N175 I185 | I173-Q177 CarbonylContact C-O 3.47Å; I173-Q177 WeakPolarHBondContact CA-O 3.29Å; I174-Q177 PolarHBondContact N-O 3.07Å; I174-Q177 PolarHBondContact O-N 2.86Å; N175-Q177 PolarHBondContact O-N 3.12Å; Q177-I185 HydrophobicContact CB-CD1 4.11Å; Q177-I185 HydrophobicContact CG-CD1 4.01Å |
| 178 | Q | 94.9 | Very high | 94.9 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 125 | 172 | -66.6 | -177.1 | 26.5 | 0 | 0 | 110.8 | C172 I173 | C172-Q178 CarbonylContact O-C 3.47Å; C172-Q178 WeakPolarHBondContact O-CA 3.48Å; I173-Q178 HydrophobicContact CG1-CG 4.4Å |
| 179 | V | 96 | Very high | 94.9 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121 | -178.2 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | G171 C172 I174 Q183 I185 C194 | G171-V179 CarbonylContact C-O 3.52Å; G171-V179 WeakPolarHBondContact CA-O 3.1Å; C172-V179 PolarHBondContact N-O 3.12Å; C172-V179 PolarHBondContact O-N 3.47Å; I174-V179 HydrophobicContact CB-CG2 4.32Å; I174-V179 HydrophobicContact CD1-CB 4.5Å; I174-V179 HydrophobicContact CD1-CG2 4.23Å; I174-V179 HydrophobicContact CG1-CG2 4.34Å; V179-Q183 HydrophobicContact CG1-CB 3.68Å; V179-I185 HydrophobicContact CG2-CB 4.2Å; V179-I185 HydrophobicContact CG2-CD1 4.22Å; V179-I185 HydrophobicContact CG2-CG2 3.91Å; V179-C194 HydrophobicContact CB-CB 4.46Å; V179-C194 HydrophobicContact CG1-CB 4Å |
| 180 | R | 96.5 | Very high | 95 | Very high | 180 Ų | 180 | 71.6 Ų | 71.6 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 157.3 | 179.3 | -57.7 | 178.5 | 177.7 | 171.5 | -0.5 | 110.7 | R182 Q183 | R180-R182 PolarHBondContact O-N 3.48Å; R180-Q183 HydrophobicContact CB-CG 3.96Å; R180-Q183 VanDerWaalsContact CB-OE1 3.3Å; R180-Q183 VanDerWaalsContact O-CB 3.29Å; R180-Q183 WeakPolarHBondContact O-CB 3.04Å; R180-Q183 PolarHBondContact O-N 3.06Å |
| 181 | V | 95.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 21% | 0.212 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.9 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | V170 Q183 C194 R196 I202 | V170-V181 WeakPolarHBondContact O-CG2 3.34Å; V181-Q183 PolarHBondContact O-N 3.33Å; V181-C194 CarbonylContact C-O 3.49Å; V181-R196 HydrophobicContact CG1-CG 3.62Å; V181-I202 HydrophobicContact CG2-CG2 3.83Å |
| 182 | R | 95.1 | Very high | 95.1 | Very high | 188 Ų | 188 | 71.1 Ų | 71.1 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -5.5 | -172.9 | -52.8 | 179.4 | 174.8 | 177.2 | -4.7 | 115.8 | R180 C194 | R180-R182 PolarHBondContact O-N 3.48Å; R182-C194 WeakPolarHBondContact CA-O 3.25Å; R182-C194 PolarHBondContact N-O 2.68Å |
| 183 | Q | 96.8 | Very high | 95 | Very high | 89 Ų | 89 | 74.6 Ų | 74.6 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | trans | -76.5 | 153.8 | 172.1 | -69.1 | -176.5 | -30.2 | 0 | 0 | 111.1 | V179 R180 V181 C194 | V179-Q183 HydrophobicContact CG1-CB 3.68Å; R180-Q183 HydrophobicContact CB-CG 3.96Å; R180-Q183 VanDerWaalsContact CB-OE1 3.3Å; R180-Q183 VanDerWaalsContact O-CB 3.29Å; R180-Q183 WeakPolarHBondContact O-CB 3.04Å; R180-Q183 PolarHBondContact O-N 3.06Å; V181-Q183 PolarHBondContact O-N 3.33Å; Q183-C194 PolarHBondContact O-N 2.71Å; Q183-C194 VanDerWaalsContact O-N 3.14Å | ||
| 184 | V | 95.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 72.8 Ų | 72.8 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.2 | 179.7 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | W191 Y192 K193 R216 | V184-W191 HydrophobicContact CG1-CD2 4.41Å; V184-W191 HydrophobicContact CG1-CE3 3.4Å; V184-W191 HydrophobicContact CG1-CZ3 3.88Å; V184-W191 HydrophobicContact CG2-CZ3 4.32Å; V184-Y192 VanDerWaalsContact CA-O 3.25Å; V184-Y192 WeakPolarHBondContact CA-O 3.49Å; V184-Y192 WeakPolarHBondContact CG1-O 3.49Å; V184-K193 HydrophobicContact CG2-CB 4.17Å; V184-K193 HydrophobicContact CG2-CD 4.45Å; V184-K193 HydrophobicContact CG2-CG 4.05Å; V184-R216 VanDerWaalsContact CG1-CZ 3.47Å |
| 185 | I | 96.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.4 | 174.6 | -170.3 | 169.8 | 0 | 0 | 0 | 109.5 | I174 Q177 V179 W191 Y192 | I174-I185 HydrophobicContact CB-CG2 4.29Å; I174-I185 HydrophobicContact CD1-CG2 4.03Å; I174-I185 HydrophobicContact CG2-CG2 4.13Å; Q177-I185 HydrophobicContact CB-CD1 4.11Å; Q177-I185 HydrophobicContact CG-CD1 4.01Å; V179-I185 HydrophobicContact CG2-CB 4.2Å; V179-I185 HydrophobicContact CG2-CD1 4.22Å; V179-I185 HydrophobicContact CG2-CG2 3.91Å; I185-W191 CarbonylContact O-C 3.52Å; I185-W191 VanDerWaalsContact O-CA 3.29Å; I185-W191 WeakPolarHBondContact O-CA 3.06Å; I185-W191 WeakPolarHBondContact O-CB 3.45Å; I185-Y192 PolarHBondContact N-O 2.87Å; I185-Y192 PolarHBondContact O-N 3.01Å |
| 186 | S | 96 | Very high | 95.2 | Very high | 44 Ų | 44 | 76 Ų | 76 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.3 | 169.4 | -66.9 | 0 | 0 | 0 | 0 | 108.1 | R216 | S186-R216 PolarHBondContact OG-NE 2.82Å |
| 187 | F | 92.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 78.1 Ų | 78.1 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 126 | 175.1 | 178.9 | -105.8 | 0 | 0 | 0 | 108.8 | N175 K189 F190 Y192 | N175-F187 HydrophobicContact CB-CD1 3.95Å; N175-F187 HydrophobicContact CB-CD2 4Å; N175-F187 HydrophobicContact CB-CE1 3.96Å; N175-F187 HydrophobicContact CB-CE2 4.06Å; N175-F187 HydrophobicContact CB-CG 3.96Å; N175-F187 HydrophobicContact CB-CZ 4.03Å; N175-F187 VanDerWaalsContact CG-CE2 3.41Å; N175-F187 WeakPolarHBondContact ND2-CD2 3.18Å; N175-F187 WeakPolarHBondContact ND2-CE2 2.9Å; N175-F187 WeakPolarHBondContact ND2-CZ 3.49Å; N175-F187 WeakPolarHBondContact OD1-CZ 3.22Å; F187-K189 PolarHBondContact O-N 2.82Å; F187-F190 CarbonylContact C-O 3.48Å; F187-F190 PolarHBondContact N-O 2.8Å; F187-F190 PolarHBondContact O-N 2.88Å; F187-F190 VanDerWaalsContact O-N 3.11Å; F187-Y192 HydrophobicContact CB-CD2 4.44Å; F187-Y192 HydrophobicContact CB-CE2 4.04Å |
| 188 | E | 92.8 | Very high | 94.7 | Very high | 144 Ų | 144 | 75.9 Ų | 75.9 | 67% | 0.673 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | -123.5 | -171.5 | -62.1 | 178 | 176.6 | 0 | 0 | 111.8 | F190 | E188-F190 VanDerWaalsContact C-N 3.33Š|
| 189 | K | 95.9 | Very high | 94.2 | Very high | 122 Ų | 122 | 79.7 Ų | 79.7 | 53% | 0.53 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.3 | -175.8 | -56.3 | -173.6 | 177.5 | -178.7 | 0 | 113.3 | F187 C209 V210 I241 | F187-K189 PolarHBondContact O-N 2.82Å; K189-C209 CarbonylContact O-C 3.56Å; K189-C209 VanDerWaalsContact O-CA 3.24Å; K189-C209 WeakPolarHBondContact O-CA 3.28Å; K189-V210 PolarHBondContact O-N 2.84Å; K189-I241 HydrophobicContact CB-CD1 3.55Å; K189-I241 HydrophobicContact CD-CD1 4.01Å; K189-I241 HydrophobicContact CG-CD1 4.36Å |
| 190 | F | 97 | Very high | 93.4 | Very high | 41 Ų | 41 | 81.3 Ų | 81.3 | 18% | 0.18 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.2 | -174.8 | -57 | -69.9 | 0 | 0 | 0 | 111.8 | F187 E188 Y192 I206 G208 V210 I239 I241 | F187-F190 CarbonylContact C-O 3.48Å; F187-F190 PolarHBondContact N-O 2.8Å; F187-F190 PolarHBondContact O-N 2.88Å; F187-F190 VanDerWaalsContact O-N 3.11Å; E188-F190 VanDerWaalsContact C-N 3.33Å; F190-Y192 HydrophobicContact CB-CE2 3.83Å; F190-I206 HydrophobicContact CB-CD1 3.79Å; F190-I206 HydrophobicContact CB-CG1 4.09Å; F190-I206 HydrophobicContact CD1-CD1 3.58Å; F190-I206 HydrophobicContact CD1-CG1 4.38Å; F190-I206 HydrophobicContact CD2-CD1 4.23Å; F190-I206 HydrophobicContact CE1-CD1 4.16Å; F190-I206 HydrophobicContact CG-CD1 3.59Å; F190-I206 HydrophobicContact CG-CG1 4.39Å; F190-G208 VanDerWaalsContact CA-O 3.32Å; F190-G208 WeakPolarHBondContact CA-O 2.94Å; F190-V210 VanDerWaalsContact C-CG2 3.46Å; F190-V210 WeakPolarHBondContact O-CG2 3.23Å; F190-I239 HydrophobicContact CD1-CG2 4.4Å; F190-I239 HydrophobicContact CE1-CG2 4.18Å; F190-I241 HydrophobicContact CE1-CD1 4.23Å; F190-I241 HydrophobicContact CE1-CG1 4.12Å |
| 191 | W | 96.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 72.9 Ų | 72.9 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.2 | 170.9 | 67.1 | -84.4 | 0 | 0 | 0 | 110.5 | V184 I185 M207 G208 V210 R216 V217 D218 | V184-W191 HydrophobicContact CG1-CD2 4.41Å; V184-W191 HydrophobicContact CG1-CE3 3.4Å; V184-W191 HydrophobicContact CG1-CZ3 3.88Å; V184-W191 HydrophobicContact CG2-CZ3 4.32Å; I185-W191 CarbonylContact O-C 3.52Å; I185-W191 VanDerWaalsContact O-CA 3.29Å; I185-W191 WeakPolarHBondContact O-CA 3.06Å; I185-W191 WeakPolarHBondContact O-CB 3.45Å; W191-M207 HydrophobicContact CD2-CB 3.71Å; W191-M207 HydrophobicContact CE3-CB 3.39Å; W191-M207 HydrophobicContact CE3-CG 3.83Å; W191-M207 HydrophobicContact CH2-CB 3.11Å; W191-M207 HydrophobicContact CH2-CE 4.21Å; W191-M207 HydrophobicContact CH2-CG 3.81Å; W191-M207 HydrophobicContact CZ2-CB 3.34Å; W191-M207 HydrophobicContact CZ2-CG 4.47Å; W191-M207 HydrophobicContact CZ3-CB 3.13Å; W191-M207 HydrophobicContact CZ3-CG 3.43Å; W191-M207 VanDerWaalsContact CZ3-CG 3.43Å; W191-M207 PolarHBondContact O-N 3.43Å; W191-G208 PolarHBondContact N-O 2.9Å; W191-G208 VanDerWaalsContact NE1-C 3.33Å; W191-G208 VanDerWaalsContact NE1-CA 3.26Å; W191-V210 HydrophobicContact CB-CG2 3.81Å; W191-V210 HydrophobicContact CG-CG2 4.36Å; W191-R216 HydrophobicContact CB-CG 4.07Å; W191-R216 HydrophobicContact CD2-CB 4.33Å; W191-R216 HydrophobicContact CD2-CG 4.29Å; W191-R216 HydrophobicContact CG-CB 4.11Å; W191-R216 HydrophobicContact CG-CG 3.83Å; W191-V217 PolarHBondContact NE1-O 2.81Å; W191-D218 WeakPolarHBondContact CZ2-OD1 3.18Å |
| 192 | Y | 95.9 | Very high | 93 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 9% | 0.086 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.6 | -167.7 | -55.7 | -98.7 | 0 | 0 | 0 | 110.3 | I174 V184 I185 F187 F190 E205 I206 | I174-Y192 HydrophobicContact CD1-CG 4.42Å; I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.06Å; I174-Y192 HydrophobicContact CG2-CG 4.03Å; V184-Y192 VanDerWaalsContact CA-O 3.25Å; V184-Y192 WeakPolarHBondContact CA-O 3.49Å; V184-Y192 WeakPolarHBondContact CG1-O 3.49Å; I185-Y192 PolarHBondContact N-O 2.87Å; I185-Y192 PolarHBondContact O-N 3.01Å; F187-Y192 HydrophobicContact CB-CD2 4.44Å; F187-Y192 HydrophobicContact CB-CE2 4.04Å; F190-Y192 HydrophobicContact CB-CE2 3.83Å; Y192-E205 CarbonylContact C-O 3.51Å; Y192-E205 WeakPolarHBondContact CA-O 3.47Å; Y192-I206 HydrophobicContact CD1-CB 4.01Å; Y192-I206 HydrophobicContact CD1-CG1 4.34Å; Y192-I206 HydrophobicContact CE1-CB 3.96Å; Y192-I206 HydrophobicContact CE1-CD1 4.32Å; Y192-I206 HydrophobicContact CE1-CG1 4.07Å |
| 193 | K | 95.5 | Very high | 92.9 | Very high | 73 Ų | 73 | 65 Ų | 65 | 32% | 0.317 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134 | 174.7 | -175.4 | 177.9 | -178.8 | 177.8 | 0 | 109.9 | V184 S195 E205 M207 | V184-K193 HydrophobicContact CG2-CB 4.17Å; V184-K193 HydrophobicContact CG2-CD 4.45Å; V184-K193 HydrophobicContact CG2-CG 4.05Å; K193-S195 PolarHBondContact O-N 3.11Å; K193-E205 PolarHBondContact N-O 3.28Å; K193-E205 PolarHBondContact O-N 3.03Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.8Å; K193-M207 HydrophobicContact CD-CE 4.42Å; K193-M207 HydrophobicContact CD-SD 4.11Å |
| 194 | C | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 103.1 | 168.9 | -171 | 0 | 0 | 0 | 0 | 109.1 | C172 V179 V181 R182 Q183 K203 | C172-C194 HydrophobicContact CB-CB 3.73Å; C172-C194 WeakPolarHBondContact CB-SG 3.43Å; C172-C194 PolarHBondContact N-SG 2.05Å; C172-C194 VanDerWaalsContact SG-CA 3.53Å; C172-C194 WeakPolarHBondContact SG-CB 3.4Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 3.3Å; V179-C194 HydrophobicContact CB-CB 4.46Å; V179-C194 HydrophobicContact CG1-CB 4Å; V181-C194 CarbonylContact C-O 3.49Å; R182-C194 WeakPolarHBondContact CA-O 3.25Å; R182-C194 PolarHBondContact N-O 2.68Å; Q183-C194 PolarHBondContact O-N 2.71Å; Q183-C194 VanDerWaalsContact O-N 3.14Å; C194-K203 CarbonylContact C-O 3.6Å; C194-K203 WeakPolarHBondContact CA-O 3.32Å |
| 195 | S | 94.7 | Very high | 92.6 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 158 | -174.3 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | K193 I202 K203 E205 | K193-S195 PolarHBondContact O-N 3.11Å; S195-I202 CarbonylContact O-C 3.58Å; S195-I202 VanDerWaalsContact O-CA 3.22Å; S195-I202 WeakPolarHBondContact O-CA 2.83Å; S195-I202 WeakPolarHBondContact O-CB 3.36Å; S195-K203 PolarHBondContact N-O 3.12Å; S195-K203 PolarHBondContact O-N 2.55Å; S195-E205 WeakPolarHBondContact CB-OE2 3.48Å; S195-E205 PolarHBondContact OG-OE2 3.26Å |
| 196 | R | 93.5 | Very high | 92.5 | Very high | 174 Ų | 174 | 63.7 Ų | 63.7 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 145.8 | 166.9 | -69.8 | -167.9 | 177.9 | 168.5 | 1.1 | 109.9 | V181 | V181-R196 HydrophobicContact CG1-CG 3.62Å |
| 197 | Y | 88.7 | Confident | 92.5 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 45% | 0.451 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 122.1 | 175.7 | 179.4 | -103 | 0 | 0 | 0 | 110.6 | K25 G201 K203 | K25-Y197 HydrophobicContact CB-CD1 4.38Å; K25-Y197 HydrophobicContact CD-CE1 4.33Å; Y197-G201 PolarHBondContact N-O 3.1Å; Y197-G201 CarbonylContact O-C 3.59Å; Y197-G201 VanDerWaalsContact O-C 3.24Å; Y197-G201 WeakPolarHBondContact O-CA 3.12Å; Y197-G201 PolarHBondContact O-N 2.95Å; Y197-G201 VanDerWaalsContact O-N 3.07Å; Y197-K203 HydrophobicContact CD2-CD 3.91Å; Y197-K203 HydrophobicContact CG-CD 4.23Å |
| 198 | G | 85.7 | Confident | 92.7 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | -154.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | G200 | G198-G200 PolarHBondContact O-N 3.03Å; G198-G200 VanDerWaalsContact O-N 3.1Å |
| 199 | K | 83.6 | Confident | 92.9 | Very high | 205 Ų | 205 | 54.5 Ų | 54.5 | 89% | 0.891 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 90.9 | -178.7 | -166.1 | 175.6 | -178 | 179 | 0 | 110.8 | G201 | K199-G201 VanDerWaalsContact C-N 3.33Å; K199-G201 PolarHBondContact O-N 3.17Å |
| 200 | G | 80.8 | Confident | 93 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 3.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G198 | G198-G200 PolarHBondContact O-N 3.03Å; G198-G200 VanDerWaalsContact O-N 3.1Å |
| 201 | G | 88.8 | Confident | 93 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 165.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V26 Y197 K199 | V26-G201 WeakPolarHBondContact O-CA 3.29Å; Y197-G201 PolarHBondContact N-O 3.1Å; Y197-G201 CarbonylContact O-C 3.59Å; Y197-G201 VanDerWaalsContact O-C 3.24Å; Y197-G201 WeakPolarHBondContact O-CA 3.12Å; Y197-G201 PolarHBondContact O-N 2.95Å; Y197-G201 VanDerWaalsContact O-N 3.07Å; K199-G201 VanDerWaalsContact C-N 3.33Å; K199-G201 PolarHBondContact O-N 3.17Å |
| 202 | I | 94.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156.7 | 172.4 | 62.6 | 176.7 | 0 | 0 | 0 | 109.2 | V26 F154 A169 G171 V181 S195 | V26-I202 HydrophobicContact CG1-CG1 3.88Å; V26-I202 PolarHBondContact N-O 3.18Å; V26-I202 VanDerWaalsContact N-O 3.12Å; V26-I202 PolarHBondContact O-N 2.89Å; F154-I202 HydrophobicContact CB-CD1 4.37Å; F154-I202 HydrophobicContact CD1-CD1 3.53Å; F154-I202 HydrophobicContact CD1-CG1 3.55Å; F154-I202 HydrophobicContact CE1-CD1 4.27Å; F154-I202 HydrophobicContact CE1-CG1 3.87Å; F154-I202 HydrophobicContact CG-CD1 4.32Å; F154-I202 HydrophobicContact CG-CG1 4.41Å; A169-I202 HydrophobicContact CB-CB 4.39Å; A169-I202 HydrophobicContact CB-CD1 3.47Å; A169-I202 VanDerWaalsContact CB-CD1 3.47Å; A169-I202 HydrophobicContact CB-CG1 3.53Å; A169-I202 HydrophobicContact CB-CG2 4.09Å; G171-I202 VanDerWaalsContact C-CD1 3.44Å; G171-I202 WeakPolarHBondContact O-CD1 3.08Å; V181-I202 HydrophobicContact CG2-CG2 3.83Å; S195-I202 CarbonylContact O-C 3.58Å; S195-I202 VanDerWaalsContact O-CA 3.22Å; S195-I202 WeakPolarHBondContact O-CA 2.83Å; S195-I202 WeakPolarHBondContact O-CB 3.36Å |
| 203 | K | 93.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 147 | 174.9 | 60 | 176.2 | 167.6 | 165.1 | 0 | 112.1 | S24 K25 C194 S195 Y197 E205 | S24-K203 CarbonylContact O-C 3.58Å; S24-K203 WeakPolarHBondContact O-CA 3.01Å; S24-K203 WeakPolarHBondContact O-CB 3.08Å; K25-K203 HydrophobicContact CB-CB 4.35Å; C194-K203 CarbonylContact C-O 3.6Å; C194-K203 WeakPolarHBondContact CA-O 3.32Å; S195-K203 PolarHBondContact N-O 3.12Å; S195-K203 PolarHBondContact O-N 2.55Å; Y197-K203 HydrophobicContact CD2-CD 3.91Å; Y197-K203 HydrophobicContact CG-CD 4.23Å; K203-E205 HydrophobicContact CD-CG 3.75Å; K203-E205 WeakPolarHBondContact CD-OE1 3.32Å; K203-E205 WeakPolarHBondContact CE-OE1 3.1Å; K203-E205 HydrophobicContact CG-CG 3.8Å; K203-E205 IonicContact NZ-OE1 3.11Å; K203-E205 PolarHBondContact NZ-OE1 2.89Å |
| 204 | A | 93.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | S24 C172 I174 | S24-A204 PolarHBondContact O-N 3.31Å; S24-A204 VanDerWaalsContact O-N 3.12Å; C172-A204 HydrophobicContact CB-CB 4.17Å; I174-A204 HydrophobicContact CD1-CB 4.06Å; I174-A204 HydrophobicContact CG1-CB 4.19Å |
| 205 | E | 91.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.1 | -176.9 | -61 | -178.6 | 120.4 | 0 | 0 | 109.7 | Y192 K193 S195 K203 M207 | Y192-E205 CarbonylContact C-O 3.51Å; Y192-E205 WeakPolarHBondContact CA-O 3.47Å; K193-E205 PolarHBondContact N-O 3.28Å; K193-E205 PolarHBondContact O-N 3.03Å; S195-E205 WeakPolarHBondContact CB-OE2 3.48Å; S195-E205 PolarHBondContact OG-OE2 3.26Å; K203-E205 HydrophobicContact CD-CG 3.75Å; K203-E205 WeakPolarHBondContact CD-OE1 3.32Å; K203-E205 WeakPolarHBondContact CE-OE1 3.1Å; K203-E205 HydrophobicContact CG-CG 3.8Å; K203-E205 IonicContact NZ-OE1 3.11Å; K203-E205 PolarHBondContact NZ-OE1 2.89Å; E205-M207 HydrophobicContact CB-SD 3.92Å |
| 206 | I | 94.3 | Very high | 93.1 | Very high | 53 Ų | 53 | 67 Ų | 67 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.8 | 162.2 | -168.6 | 171.1 | 0 | 0 | 0 | 107.8 | F190 Y192 I239 | F190-I206 HydrophobicContact CB-CD1 3.79Å; F190-I206 HydrophobicContact CB-CG1 4.09Å; F190-I206 HydrophobicContact CD1-CD1 3.58Å; F190-I206 HydrophobicContact CD1-CG1 4.38Å; F190-I206 HydrophobicContact CD2-CD1 4.23Å; F190-I206 HydrophobicContact CE1-CD1 4.16Å; F190-I206 HydrophobicContact CG-CD1 3.59Å; F190-I206 HydrophobicContact CG-CG1 4.39Å; Y192-I206 HydrophobicContact CD1-CB 4.01Å; Y192-I206 HydrophobicContact CD1-CG1 4.34Å; Y192-I206 HydrophobicContact CE1-CB 3.96Å; Y192-I206 HydrophobicContact CE1-CD1 4.32Å; Y192-I206 HydrophobicContact CE1-CG1 4.07Å; I206-I239 HydrophobicContact CD1-CB 3.86Å; I206-I239 HydrophobicContact CD1-CG1 4.45Å; I206-I239 HydrophobicContact CG1-CB 4.25Å; I206-I239 HydrophobicContact CG1-CD1 4.08Å; I206-I239 HydrophobicContact CG1-CG1 4.35Å; I206-I239 HydrophobicContact CG2-CB 4.47Å; I206-I239 HydrophobicContact CG2-CD1 4.15Å; I206-I239 HydrophobicContact CG2-CG1 4Å |
| 207 | M | 95.7 | Very high | 93.3 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -17.8 | -172.9 | -60.3 | -67.3 | -50.3 | 0 | 0 | 112.8 | W191 K193 E205 A219 | W191-M207 HydrophobicContact CD2-CB 3.71Å; W191-M207 HydrophobicContact CE3-CB 3.39Å; W191-M207 HydrophobicContact CE3-CG 3.83Å; W191-M207 HydrophobicContact CH2-CB 3.11Å; W191-M207 HydrophobicContact CH2-CE 4.21Å; W191-M207 HydrophobicContact CH2-CG 3.81Å; W191-M207 HydrophobicContact CZ2-CB 3.34Å; W191-M207 HydrophobicContact CZ2-CG 4.47Å; W191-M207 HydrophobicContact CZ3-CB 3.13Å; W191-M207 HydrophobicContact CZ3-CG 3.43Å; W191-M207 VanDerWaalsContact CZ3-CG 3.43Å; W191-M207 PolarHBondContact O-N 3.43Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.8Å; K193-M207 HydrophobicContact CD-CE 4.42Å; K193-M207 HydrophobicContact CD-SD 4.11Å; E205-M207 HydrophobicContact CB-SD 3.92Å; M207-A219 WeakPolarHBondContact O-CB 3.34Å; M207-A219 PolarHBondContact O-N 2.94Å; M207-A219 VanDerWaalsContact O-N 3.08Å |
| 208 | G | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -159.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F190 W191 V217 C232 | F190-G208 VanDerWaalsContact CA-O 3.32Å; F190-G208 WeakPolarHBondContact CA-O 2.94Å; W191-G208 PolarHBondContact N-O 2.9Å; W191-G208 VanDerWaalsContact NE1-C 3.33Å; W191-G208 VanDerWaalsContact NE1-CA 3.26Å; G208-V217 CarbonylContact C-O 3.58Å; G208-V217 VanDerWaalsContact CA-O 3.23Å; G208-V217 WeakPolarHBondContact CA-O 3.46Å; G208-C232 VanDerWaalsContact C-SG 3.59Å |
| 209 | C | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 158.8 | -169.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | K189 V217 Y223 C232 I241 | K189-C209 CarbonylContact O-C 3.56Å; K189-C209 VanDerWaalsContact O-CA 3.24Å; K189-C209 WeakPolarHBondContact O-CA 3.28Å; C209-V217 PolarHBondContact N-O 2.79Å; C209-V217 PolarHBondContact O-N 3.09Å; C209-Y223 HydrophobicContact CB-CE1 4.25Å; C209-C232 HydrophobicContact CB-CB 3.79Å; C209-C232 WeakPolarHBondContact CB-SG 3.43Å; C209-C232 PolarHBondContact N-SG 2.8Å; C209-C232 WeakPolarHBondContact SG-CA 3.41Å; C209-C232 WeakPolarHBondContact SG-CB 3.44Å; C209-C232 CovalentContact SG-SG 2.04Å; C209-C232 PolarHBondContact SG-SG 2.87Å; C209-I241 HydrophobicContact CB-CD1 4.05Å; C209-I241 HydrophobicContact CB-CG1 4.02Å; C209-I241 WeakPolarHBondContact SG-CG1 3.32Å |
| 210 | V | 97.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.4 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 108 | K189 F190 W191 L215 | K189-V210 PolarHBondContact O-N 2.84Å; F190-V210 VanDerWaalsContact C-CG2 3.46Å; F190-V210 WeakPolarHBondContact O-CG2 3.23Å; W191-V210 HydrophobicContact CB-CG2 3.81Å; W191-V210 HydrophobicContact CG-CG2 4.36Å; V210-L215 WeakPolarHBondContact CA-O 3.24Å |
| 211 | T | 96.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | trans | -71.1 | 165.6 | 177.8 | 71.7 | 0 | 0 | 0 | 0 | 111.2 | K213 G214 L215 V217 Y223 D225 | T211-K213 PolarHBondContact O-N 2.93Å; T211-K213 PolarHBondContact OG1-N 3.08Å; T211-G214 PolarHBondContact O-N 3.06Å; T211-L215 HydrophobicContact CG2-CB 4.15Å; T211-L215 PolarHBondContact N-O 2.99Å; T211-L215 WeakPolarHBondContact OG1-CB 3.06Å; T211-L215 PolarHBondContact OG1-N 3.41Å; T211-V217 HydrophobicContact CG2-CG2 3.75Å; T211-Y223 HydrophobicContact CG2-CD2 3.64Å; T211-Y223 HydrophobicContact CG2-CE2 3.82Å; T211-D225 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 212 | S | 95.3 | Very high | 96.2 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 52% | 0.517 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -25.8 | 171.3 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | D225 | S212-D225 VanDerWaalsContact CB-OD1 3.28Å; S212-D225 WeakPolarHBondContact CB-OD1 3.38Å; S212-D225 PolarHBondContact N-OD1 3.03Å; S212-D225 VanDerWaalsContact N-OD1 3.12Å; S212-D225 PolarHBondContact N-OD2 3.1Å; S212-D225 PolarHBondContact OG-OD1 2.81Å |
| 213 | K | 95.5 | Very high | 96.3 | Very high | 167 Ų | 167 | 56.2 Ų | 56.2 | 73% | 0.726 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.8 | 177.8 | -59.2 | -178.7 | -177.2 | 176.3 | 0 | 113.9 | T211 L215 | T211-K213 PolarHBondContact O-N 2.93Å; T211-K213 PolarHBondContact OG1-N 3.08Å; K213-L215 VanDerWaalsContact C-N 3.33Å; K213-L215 PolarHBondContact O-N 2.57Å |
| 214 | G | 95.6 | Very high | 96.5 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | trans | 79.2 | 9.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T211 | T211-G214 PolarHBondContact O-N 3.06Š| ||
| 215 | L | 97 | Very high | 96.5 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 59% | 0.586 | 31% | 0.311 | S | S | * | . | trans | -77.8 | 135.9 | 178.3 | -61.8 | 174.7 | 0 | 0 | 0 | 110.3 | V210 T211 K213 | V210-L215 WeakPolarHBondContact CA-O 3.24Å; T211-L215 HydrophobicContact CG2-CB 4.15Å; T211-L215 PolarHBondContact N-O 2.99Å; T211-L215 WeakPolarHBondContact OG1-CB 3.06Å; T211-L215 PolarHBondContact OG1-N 3.41Å; K213-L215 VanDerWaalsContact C-N 3.33Å; K213-L215 PolarHBondContact O-N 2.57Å | ||
| 216 | R | 97.8 | Very high | 96.4 | Very high | 128 Ų | 128 | 63.2 Ų | 63.2 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.2 | 176.5 | -64.9 | 176.7 | -176.1 | 154.2 | 1 | 109.8 | V184 S186 W191 | V184-R216 VanDerWaalsContact CG1-CZ 3.47Å; S186-R216 PolarHBondContact OG-NE 2.82Å; W191-R216 HydrophobicContact CB-CG 4.07Å; W191-R216 HydrophobicContact CD2-CB 4.33Å; W191-R216 HydrophobicContact CD2-CG 4.29Å; W191-R216 HydrophobicContact CG-CB 4.11Å; W191-R216 HydrophobicContact CG-CG 3.83Å |
| 217 | V | 98.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.9 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | W191 G208 C209 T211 V221 Y223 C232 | W191-V217 PolarHBondContact NE1-O 2.81Å; G208-V217 CarbonylContact C-O 3.58Å; G208-V217 VanDerWaalsContact CA-O 3.23Å; G208-V217 WeakPolarHBondContact CA-O 3.46Å; C209-V217 PolarHBondContact N-O 2.79Å; C209-V217 PolarHBondContact O-N 3.09Å; T211-V217 HydrophobicContact CG2-CG2 3.75Å; V217-V221 HydrophobicContact CG1-CB 3.72Å; V217-V221 HydrophobicContact CG1-CG1 3.84Å; V217-Y223 HydrophobicContact CB-CD1 4.22Å; V217-Y223 HydrophobicContact CB-CG 4.37Å; V217-Y223 HydrophobicContact CG1-CD1 3.65Å; V217-Y223 HydrophobicContact CG1-CE1 4.31Å; V217-Y223 HydrophobicContact CG1-CG 4Å; V217-Y223 HydrophobicContact CG2-CD1 4.15Å; V217-Y223 HydrophobicContact CG2-CD2 4.05Å; V217-Y223 HydrophobicContact CG2-CG 3.8Å; V217-C232 HydrophobicContact CG1-CB 4.28Å |
| 218 | D | 97.9 | Very high | 95.9 | Very high | 99 Ų | 99 | 66.6 Ų | 66.6 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 152.4 | 178.8 | -67.7 | -20.8 | 0 | 0 | 0 | 111.3 | W191 V221 | W191-D218 WeakPolarHBondContact CZ2-OD1 3.18Å; D218-V221 HydrophobicContact CB-CG2 4.04Å; D218-V221 WeakPolarHBondContact O-CB 3.48Å; D218-V221 PolarHBondContact O-N 2.93Å |
| 219 | A | 96.9 | Very high | 95.9 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 140.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M207 V221 E234 I239 | M207-A219 WeakPolarHBondContact O-CB 3.34Å; M207-A219 PolarHBondContact O-N 2.94Å; M207-A219 VanDerWaalsContact O-N 3.08Å; A219-V221 VanDerWaalsContact C-N 3.29Å; A219-V221 PolarHBondContact O-N 3.23Å; A219-E234 HydrophobicContact CB-CG 3.71Å; A219-E234 WeakPolarHBondContact CB-OE1 3.37Å; A219-I239 HydrophobicContact CB-CD1 3.5Å; A219-I239 VanDerWaalsContact CB-CD1 3.5Å; A219-I239 HydrophobicContact CB-CG1 4.34Å |
| 220 | G | 97.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 67.7 Ų | 67.7 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -10 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H231 C232 | G220-H231 VanDerWaalsContact C-NE2 3.33Å; G220-H231 PolarHBondContact O-CD2 3.36Å; G220-H231 PolarHBondContact O-NE2 3.34Å; G220-C232 WeakPolarHBondContact CA-O 3.13Å; G220-C232 PolarHBondContact N-O 2.67Å |
| 221 | V | 98 | Very high | 95.9 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 39% | 0.394 | 36% | 0.364 | S | S | . | . | trans | -90 | 135.3 | -174.6 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | V217 D218 A219 H231 C232 | V217-V221 HydrophobicContact CG1-CB 3.72Å; V217-V221 HydrophobicContact CG1-CG1 3.84Å; D218-V221 HydrophobicContact CB-CG2 4.04Å; D218-V221 WeakPolarHBondContact O-CB 3.48Å; D218-V221 PolarHBondContact O-N 2.93Å; A219-V221 VanDerWaalsContact C-N 3.29Å; A219-V221 PolarHBondContact O-N 3.23Å; V221-H231 PolarHBondContact O-CD2 3.13Å; V221-C232 PolarHBondContact O-N 3.22Å | ||
| 222 | K | 97.7 | Very high | 96 | Very high | 119 Ų | 119 | 68.4 Ų | 68.4 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139.2 | 166.7 | -64.9 | -176.6 | -176.9 | -178.9 | 0 | 109.9 | L230 H231 A244 | K222-L230 CarbonylContact C-O 3.58Å; K222-L230 VanDerWaalsContact CA-O 3.24Å; K222-L230 WeakPolarHBondContact CA-O 3.12Å; K222-H231 HydrophobicContact CG-CB 4.13Å; K222-A244 HydrophobicContact CD-CB 4.17Å; K222-A244 HydrophobicContact CG-CB 4.31Å |
| 223 | Y | 97.7 | Very high | 96.1 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 7% | 0.071 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.5 | -176.2 | 65.2 | -80.5 | 0 | 0 | 0 | 111.3 | C209 T211 V217 D225 L230 C232 I241 | C209-Y223 HydrophobicContact CB-CE1 4.25Å; T211-Y223 HydrophobicContact CG2-CD2 3.64Å; T211-Y223 HydrophobicContact CG2-CE2 3.82Å; V217-Y223 HydrophobicContact CB-CD1 4.22Å; V217-Y223 HydrophobicContact CB-CG 4.37Å; V217-Y223 HydrophobicContact CG1-CD1 3.65Å; V217-Y223 HydrophobicContact CG1-CE1 4.31Å; V217-Y223 HydrophobicContact CG1-CG 4Å; V217-Y223 HydrophobicContact CG2-CD1 4.15Å; V217-Y223 HydrophobicContact CG2-CD2 4.05Å; V217-Y223 HydrophobicContact CG2-CG 3.8Å; Y223-D225 HydrophobicContact CD2-CB 4.2Å; Y223-D225 HydrophobicContact CE2-CB 3.92Å; Y223-L230 HydrophobicContact CD1-CB 4.24Å; Y223-L230 HydrophobicContact CD2-CB 4.41Å; Y223-L230 HydrophobicContact CE1-CB 3.79Å; Y223-L230 HydrophobicContact CE2-CB 3.99Å; Y223-L230 HydrophobicContact CE2-CD1 3.86Å; Y223-L230 HydrophobicContact CE2-CG 4.49Å; Y223-L230 PolarHBondContact N-O 3.22Å; Y223-L230 PolarHBondContact O-N 2.92Å; Y223-C232 HydrophobicContact CD1-CB 4.43Å; Y223-C232 HydrophobicContact CE1-CB 4Å; Y223-I241 WeakPolarHBondContact OH-CG2 3.41Å |
| 224 | R | 96.5 | Very high | 96 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 42% | 0.415 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.1 | 170.6 | -62.5 | -179.3 | -178.7 | 169.2 | -4.5 | 108.9 | L229 V247 V254 D256 | R224-L229 HydrophobicContact CG-CD1 4.34Å; R224-V247 HydrophobicContact CG-CG2 3.94Å; R224-V254 PolarHBondContact NH2-O 2.61Å; R224-D256 IonicContact CZ-OD1 2.81Å; R224-D256 IonicContact NE-OD1 3.14Å; R224-D256 PolarHBondContact NE-OD1 3.29Å; R224-D256 IonicContact NE-OD2 2.72Å; R224-D256 IonicContact NH2-OD1 3.72Å; R224-D256 PolarHBondContact NH2-OD1 3.2Å; R224-D256 IonicContact NH2-OD2 3.82Å |
| 225 | D | 94.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 115.7 | 165 | -154.1 | 3.3 | 0 | 0 | 0 | 107.2 | T211 S212 Y223 D227 V228 L230 | T211-D225 WeakPolarHBondContact CA-OD2 3.48Å; S212-D225 VanDerWaalsContact CB-OD1 3.28Å; S212-D225 WeakPolarHBondContact CB-OD1 3.38Å; S212-D225 PolarHBondContact N-OD1 3.03Å; S212-D225 VanDerWaalsContact N-OD1 3.12Å; S212-D225 PolarHBondContact N-OD2 3.1Å; S212-D225 PolarHBondContact OG-OD1 2.81Å; Y223-D225 HydrophobicContact CD2-CB 4.2Å; Y223-D225 HydrophobicContact CE2-CB 3.92Å; D225-D227 PolarHBondContact O-N 2.04Å; D225-V228 PolarHBondContact N-O 3.18Å; D225-V228 VanDerWaalsContact N-O 3.08Å; D225-V228 WeakPolarHBondContact O-CG2 3.4Å; D225-V228 PolarHBondContact O-N 3.08Å; D225-L230 HydrophobicContact CB-CD1 3.71Å |
| 226 | E | 89.2 | Confident | 95.4 | Very high | 147 Ų | 147 | 67 Ų | 67 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -123.8 | -167.9 | -53.4 | -178.4 | 159.8 | 0 | 0 | 111.9 | ||
| 227 | D | 87.7 | Confident | 94.7 | Very high | 137 Ų | 137 | 64 Ų | 64 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 13.8 | -177.5 | -66.6 | -38.5 | 0 | 0 | 0 | 113.3 | D225 | D225-D227 PolarHBondContact O-N 2.04Š|
| 228 | V | 92.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 64.5 Ų | 64.5 | 26% | 0.261 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.3 | -179.8 | -64 | 0 | 0 | 0 | 0 | 112.2 | D225 L230 F243 V284 | D225-V228 PolarHBondContact N-O 3.18Å; D225-V228 VanDerWaalsContact N-O 3.08Å; D225-V228 WeakPolarHBondContact O-CG2 3.4Å; D225-V228 PolarHBondContact O-N 3.08Å; V228-L230 HydrophobicContact CG2-CD1 4.33Å; V228-L230 HydrophobicContact CG2-CD2 4.05Å; V228-L230 HydrophobicContact CG2-CG 4.01Å; V228-F243 HydrophobicContact CB-CD1 4.35Å; V228-F243 HydrophobicContact CB-CE1 4.13Å; V228-F243 HydrophobicContact CG1-CE1 4.08Å; V228-F243 HydrophobicContact CG2-CE1 4.23Å; V228-V284 HydrophobicContact CG1-CG1 4.11Å |
| 229 | L | 97.6 | Very high | 94 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.5 | 172 | -173.9 | 69.8 | 0 | 0 | 0 | 108.3 | R224 A244 G245 V247 D256 | R224-L229 HydrophobicContact CG-CD1 4.34Å; L229-A244 HydrophobicContact CD2-CB 4.29Å; L229-A244 HydrophobicContact CG-CB 4.12Å; L229-A244 PolarHBondContact O-N 2.99Å; L229-G245 PolarHBondContact N-O 2.73Å; L229-G245 PolarHBondContact O-N 3.12Å; L229-V247 HydrophobicContact CB-CG2 4Å; L229-D256 HydrophobicContact CD1-CB 4.24Å; L229-D256 HydrophobicContact CD2-CB 3.92Å |
| 230 | L | 97.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 161.2 | 179.7 | -60.8 | 177.4 | 0 | 0 | 0 | 110.6 | K222 Y223 D225 V228 I241 V242 F243 | K222-L230 CarbonylContact C-O 3.58Å; K222-L230 VanDerWaalsContact CA-O 3.24Å; K222-L230 WeakPolarHBondContact CA-O 3.12Å; Y223-L230 HydrophobicContact CD1-CB 4.24Å; Y223-L230 HydrophobicContact CD2-CB 4.41Å; Y223-L230 HydrophobicContact CE1-CB 3.79Å; Y223-L230 HydrophobicContact CE2-CB 3.99Å; Y223-L230 HydrophobicContact CE2-CD1 3.86Å; Y223-L230 HydrophobicContact CE2-CG 4.49Å; Y223-L230 PolarHBondContact N-O 3.22Å; Y223-L230 PolarHBondContact O-N 2.92Å; D225-L230 HydrophobicContact CB-CD1 3.71Å; V228-L230 HydrophobicContact CG2-CD1 4.33Å; V228-L230 HydrophobicContact CG2-CD2 4.05Å; V228-L230 HydrophobicContact CG2-CG 4.01Å; L230-I241 HydrophobicContact CB-CG2 4.28Å; L230-I241 HydrophobicContact CD1-CG2 3.91Å; L230-I241 HydrophobicContact CD2-CG2 4.29Å; L230-I241 HydrophobicContact CG-CG2 4.39Å; L230-V242 CarbonylContact C-O 3.6Å; L230-V242 WeakPolarHBondContact CA-O 3Å; L230-F243 HydrophobicContact CD2-CD1 3.63Å; L230-F243 HydrophobicContact CD2-CE1 3.9Å; L230-F243 HydrophobicContact CD2-CG 4.29Å |
| 231 | H | 97.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.4 | 171.1 | -175.8 | -170.9 | 0 | 0 | 0 | 109 | G220 V221 K222 K233 V242 A244 | G220-H231 VanDerWaalsContact C-NE2 3.33Å; G220-H231 PolarHBondContact O-CD2 3.36Å; G220-H231 PolarHBondContact O-NE2 3.34Å; V221-H231 PolarHBondContact O-CD2 3.13Å; K222-H231 HydrophobicContact CG-CB 4.13Å; H231-K233 PolarHBondContact O-N 3.41Å; H231-V242 HydrophobicContact CB-CG2 3.91Å; H231-V242 PolarHBondContact N-O 2.89Å; H231-V242 PolarHBondContact O-N 2.75Å; H231-V242 VanDerWaalsContact O-N 3.12Å; H231-A244 HydrophobicContact CB-CB 3.81Å |
| 232 | C | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 79 | 168.6 | -165.3 | 0 | 0 | 0 | 0 | 108.8 | G208 C209 V217 G220 V221 Y223 I239 S240 | G208-C232 VanDerWaalsContact C-SG 3.59Å; C209-C232 HydrophobicContact CB-CB 3.79Å; C209-C232 WeakPolarHBondContact CB-SG 3.43Å; C209-C232 PolarHBondContact N-SG 2.8Å; C209-C232 WeakPolarHBondContact SG-CA 3.41Å; C209-C232 WeakPolarHBondContact SG-CB 3.44Å; C209-C232 CovalentContact SG-SG 2.04Å; C209-C232 PolarHBondContact SG-SG 2.87Å; V217-C232 HydrophobicContact CG1-CB 4.28Å; G220-C232 WeakPolarHBondContact CA-O 3.13Å; G220-C232 PolarHBondContact N-O 2.67Å; V221-C232 PolarHBondContact O-N 3.22Å; Y223-C232 HydrophobicContact CD1-CB 4.43Å; Y223-C232 HydrophobicContact CE1-CB 4Å; C232-I239 WeakPolarHBondContact SG-CG2 3.47Å; C232-S240 CarbonylContact C-O 3.54Å |
| 233 | K | 97.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 56 Ų | 56 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.6 | -165.7 | -176.9 | 174 | 175 | -177.3 | 0 | 111.2 | H231 T235 I239 S240 V242 E281 | H231-K233 PolarHBondContact O-N 3.41Å; K233-T235 HydrophobicContact CG-CG2 4.42Å; K233-I239 WeakPolarHBondContact O-CA 3.24Å; K233-S240 PolarHBondContact N-O 2.84Å; K233-S240 PolarHBondContact O-N 3.45Å; K233-V242 HydrophobicContact CB-CG2 3.92Å; K233-V242 HydrophobicContact CD-CG2 3.95Å; K233-E281 IonicContact NZ-OE1 3.07Å; K233-E281 PolarHBondContact NZ-OE1 3.3Å; K233-E281 IonicContact NZ-OE2 2.73Å; K233-E281 PolarHBondContact NZ-OE2 2.96Å |
| 234 | E | 94.6 | Very high | 93.9 | Very high | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.6 | 168.5 | -67.2 | -177.2 | 171.6 | 0 | 0 | 110.3 | A219 | A219-E234 HydrophobicContact CB-CG 3.71Å; A219-E234 WeakPolarHBondContact CB-OE1 3.37Å |
| 235 | T | 92.2 | Very high | 93.9 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 166 | -179.4 | 68.5 | 0 | 0 | 0 | 0 | 109.5 | K233 G237 G238 | K233-T235 HydrophobicContact CG-CG2 4.42Å; T235-G237 PolarHBondContact O-N 3.34Å; T235-G237 VanDerWaalsContact O-N 3.13Å; T235-G237 PolarHBondContact OG1-N 2.83Å; T235-G238 WeakPolarHBondContact CA-O 3.41Å; T235-G238 PolarHBondContact N-O 2.86Å; T235-G238 PolarHBondContact O-N 3.46Å; T235-G238 VanDerWaalsContact O-O 3.06Å; T235-G238 PolarHBondContact OG1-N 2.83Å; T235-G238 PolarHBondContact OG1-O 3.46Å |
| 236 | A | 87.7 | Confident | 94 | Very high | 120 Ų | 120 | 49.4 Ų | 49.4 | 99% | 0.992 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 237 | G | 81.4 | Confident | 94.3 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 67% | 0.67 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 5.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T235 | T235-G237 PolarHBondContact O-N 3.34Å; T235-G237 VanDerWaalsContact O-N 3.13Å; T235-G237 PolarHBondContact OG1-N 2.83Å |
| 238 | G | 88.1 | Confident | 94.7 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.1 | -134.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T235 | T235-G238 WeakPolarHBondContact CA-O 3.41Å; T235-G238 PolarHBondContact N-O 2.86Å; T235-G238 PolarHBondContact O-N 3.46Å; T235-G238 VanDerWaalsContact O-O 3.06Å; T235-G238 PolarHBondContact OG1-N 2.83Å; T235-G238 PolarHBondContact OG1-O 3.46Å |
| 239 | I | 94.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.1 | -174.2 | -58.2 | -176.3 | 0 | 0 | 0 | 110.3 | F190 I206 A219 C232 K233 | F190-I239 HydrophobicContact CD1-CG2 4.4Å; F190-I239 HydrophobicContact CE1-CG2 4.18Å; I206-I239 HydrophobicContact CD1-CB 3.86Å; I206-I239 HydrophobicContact CD1-CG1 4.45Å; I206-I239 HydrophobicContact CG1-CB 4.25Å; I206-I239 HydrophobicContact CG1-CD1 4.08Å; I206-I239 HydrophobicContact CG1-CG1 4.35Å; I206-I239 HydrophobicContact CG2-CB 4.47Å; I206-I239 HydrophobicContact CG2-CD1 4.15Å; I206-I239 HydrophobicContact CG2-CG1 4Å; A219-I239 HydrophobicContact CB-CD1 3.5Å; A219-I239 VanDerWaalsContact CB-CD1 3.5Å; A219-I239 HydrophobicContact CB-CG1 4.34Å; C232-I239 WeakPolarHBondContact SG-CG2 3.47Å; K233-I239 WeakPolarHBondContact O-CA 3.24Å |
| 240 | S | 95.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.1 | 173.4 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | C232 K233 | C232-S240 CarbonylContact C-O 3.54Å; K233-S240 PolarHBondContact N-O 2.84Å; K233-S240 PolarHBondContact O-N 3.45Å |
| 241 | I | 96.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122 | 173.3 | -63.5 | 168 | 0 | 0 | 0 | 107.5 | K189 F190 C209 Y223 L230 | K189-I241 HydrophobicContact CB-CD1 3.55Å; K189-I241 HydrophobicContact CD-CD1 4.01Å; K189-I241 HydrophobicContact CG-CD1 4.36Å; F190-I241 HydrophobicContact CE1-CD1 4.23Å; F190-I241 HydrophobicContact CE1-CG1 4.12Å; C209-I241 HydrophobicContact CB-CD1 4.05Å; C209-I241 HydrophobicContact CB-CG1 4.02Å; C209-I241 WeakPolarHBondContact SG-CG1 3.32Å; Y223-I241 WeakPolarHBondContact OH-CG2 3.41Å; L230-I241 HydrophobicContact CB-CG2 4.28Å; L230-I241 HydrophobicContact CD1-CG2 3.91Å; L230-I241 HydrophobicContact CD2-CG2 4.29Å; L230-I241 HydrophobicContact CG-CG2 4.39Å |
| 242 | V | 97 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.6 | 178.9 | -61.1 | 0 | 0 | 0 | 0 | 111 | L230 H231 K233 E281 | L230-V242 CarbonylContact C-O 3.6Å; L230-V242 WeakPolarHBondContact CA-O 3Å; H231-V242 HydrophobicContact CB-CG2 3.91Å; H231-V242 PolarHBondContact N-O 2.89Å; H231-V242 PolarHBondContact O-N 2.75Å; H231-V242 VanDerWaalsContact O-N 3.12Å; K233-V242 HydrophobicContact CB-CG2 3.92Å; K233-V242 HydrophobicContact CD-CG2 3.95Å; V242-E281 HydrophobicContact CB-CB 3.8Å; V242-E281 HydrophobicContact CB-CG 4.05Å; V242-E281 HydrophobicContact CG1-CB 4.03Å; V242-E281 HydrophobicContact CG1-CG 4.44Å; V242-E281 HydrophobicContact CG2-CB 4.42Å; V242-E281 HydrophobicContact CG2-CG 4.1Å |
| 243 | F | 97.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.4 | 169.6 | -67.8 | -74.7 | 0 | 0 | 0 | 110.6 | V228 L230 F259 E281 R282 V284 | V228-F243 HydrophobicContact CB-CD1 4.35Å; V228-F243 HydrophobicContact CB-CE1 4.13Å; V228-F243 HydrophobicContact CG1-CE1 4.08Å; V228-F243 HydrophobicContact CG2-CE1 4.23Å; L230-F243 HydrophobicContact CD2-CD1 3.63Å; L230-F243 HydrophobicContact CD2-CE1 3.9Å; L230-F243 HydrophobicContact CD2-CG 4.29Å; F243-F259 HydrophobicContact CB-CZ 3.89Å; F243-F259 WeakPolarHBondContact O-CE2 3.33Å; F243-E281 PolarHBondContact N-O 3.18Å; F243-R282 VanDerWaalsContact CD2-C 3.45Å; F243-R282 WeakPolarHBondContact CE2-O 3.34Å; F243-V284 HydrophobicContact CB-CB 4.39Å; F243-V284 HydrophobicContact CD1-CB 4.1Å; F243-V284 HydrophobicContact CD1-CG1 3.44Å; F243-V284 VanDerWaalsContact CD1-CG1 3.44Å; F243-V284 HydrophobicContact CE1-CG1 3.62Å; F243-V284 HydrophobicContact CG-CB 4.25Å; F243-V284 HydrophobicContact CG-CG1 4.03Å; F243-V284 HydrophobicContact CZ-CG1 4.32Å |
| 244 | A | 97.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 53 Ų | 53 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -14.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K222 L229 H231 | K222-A244 HydrophobicContact CD-CB 4.17Å; K222-A244 HydrophobicContact CG-CB 4.31Å; L229-A244 HydrophobicContact CD2-CB 4.29Å; L229-A244 HydrophobicContact CG-CB 4.12Å; L229-A244 PolarHBondContact O-N 2.99Å; H231-A244 HydrophobicContact CB-CB 3.81Å |
| 245 | G | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.8 | -162.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L229 F257 V284 | L229-G245 PolarHBondContact N-O 2.73Å; L229-G245 PolarHBondContact O-N 3.12Å; G245-F257 CarbonylContact C-O 3.54Å; G245-F257 WeakPolarHBondContact CA-O 3.02Å; G245-V284 WeakPolarHBondContact O-CG2 3.04Å |
| 246 | C | 96.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.5 | -178.2 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | F257 W263 C277 V284 T286 | C246-F257 HydrophobicContact CB-CB 4.47Å; C246-F257 PolarHBondContact N-O 2.73Å; C246-F257 PolarHBondContact O-N 2.87Å; C246-W263 HydrophobicContact CB-CH2 4.01Å; C246-W263 HydrophobicContact CB-CZ3 4.33Å; C246-C277 HydrophobicContact CB-CB 3.79Å; C246-C277 WeakPolarHBondContact CB-SG 3.41Å; C246-C277 PolarHBondContact N-SG 3.27Å; C246-C277 WeakPolarHBondContact SG-CA 3.12Å; C246-C277 WeakPolarHBondContact SG-CB 3.43Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.08Å; C246-V284 HydrophobicContact CB-CG2 4.5Å; C246-V284 WeakPolarHBondContact SG-CG2 3.4Å; C246-T286 HydrophobicContact CB-CG2 4.29Å |
| 247 | V | 96.7 | Very high | 94 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.3 | 167.3 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | R224 L229 V254 | R224-V247 HydrophobicContact CG-CG2 3.94Å; L229-V247 HydrophobicContact CB-CG2 4Å; V247-V254 HydrophobicContact CG1-CG1 3.49Å; V247-V254 VanDerWaalsContact CG1-CG1 3.49Å |
| 248 | A | 95.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 159.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V254 R255 F257 W263 | A248-V254 WeakPolarHBondContact O-CA 3.15Å; A248-R255 PolarHBondContact N-O 2.84Å; A248-R255 PolarHBondContact O-N 3.41Å; A248-F257 HydrophobicContact CB-CD2 4.01Å; A248-F257 HydrophobicContact CB-CE2 3.92Å; A248-W263 HydrophobicContact CB-CD2 4.04Å; A248-W263 HydrophobicContact CB-CH2 4.14Å; A248-W263 HydrophobicContact CB-CZ2 3.37Å |
| 249 | K | 94.2 | Very high | 95.1 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 116.6 | 172.9 | -70.8 | -178.2 | -177.4 | -179.2 | 0 | 110.1 | V253 V254 | K249-V253 CarbonylContact C-O 3.56Å; K249-V253 WeakPolarHBondContact CA-O 3.47Å; K249-V254 HydrophobicContact CD-CG2 4.43Å; K249-V254 HydrophobicContact CG-CG2 3.76Å |
| 250 | E | 93.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.9 | 169.7 | 179 | 174.6 | -124.5 | 0 | 0 | 108.2 | G252 V253 R255 F257 W263 | E250-G252 PolarHBondContact O-N 3.26Å; E250-G252 VanDerWaalsContact O-N 3.12Å; E250-V253 PolarHBondContact N-O 2.87Å; E250-V253 PolarHBondContact O-N 2.97Å; E250-R255 WeakPolarHBondContact OE2-CD 3.47Å; E250-R255 IonicContact OE2-CZ 3.95Å; E250-R255 IonicContact OE2-NH1 3.23Å; E250-R255 PolarHBondContact OE2-NH1 3.38Å; E250-F257 HydrophobicContact CB-CZ 3.94Å; E250-W263 HydrophobicContact CB-CB 4.17Å; E250-W263 HydrophobicContact CG-CB 4.21Å; E250-W263 WeakPolarHBondContact OE1-CB 3.02Å |
| 251 | F | 88.6 | Confident | 95.4 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 55% | 0.548 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 36.8 | -174.9 | -52.3 | -65.3 | 0 | 0 | 0 | 114 | V253 Y264 | F251-V253 VanDerWaalsContact C-N 3.3Å; F251-V253 PolarHBondContact O-N 2.88Å; F251-Y264 HydrophobicContact CZ-CD2 4.39Å; F251-Y264 HydrophobicContact CZ-CG 4.48Å |
| 252 | G | 87.6 | Confident | 95.4 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -11.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E250 | E250-G252 PolarHBondContact O-N 3.26Å; E250-G252 VanDerWaalsContact O-N 3.12Å |
| 253 | V | 93.2 | Very high | 95.4 | Very high | 94 Ų | 94 | 52 Ų | 52 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.2 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 110 | K249 E250 F251 R255 | K249-V253 CarbonylContact C-O 3.56Å; K249-V253 WeakPolarHBondContact CA-O 3.47Å; E250-V253 PolarHBondContact N-O 2.87Å; E250-V253 PolarHBondContact O-N 2.97Å; F251-V253 VanDerWaalsContact C-N 3.3Å; F251-V253 PolarHBondContact O-N 2.88Å; V253-R255 HydrophobicContact CG1-CG 4.21Å; V253-R255 PolarHBondContact O-N 3.04Å |
| 254 | V | 94.5 | Very high | 95.3 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.1 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | R224 V247 A248 K249 | R224-V254 PolarHBondContact NH2-O 2.61Å; V247-V254 HydrophobicContact CG1-CG1 3.49Å; V247-V254 VanDerWaalsContact CG1-CG1 3.49Å; A248-V254 WeakPolarHBondContact O-CA 3.15Å; K249-V254 HydrophobicContact CD-CG2 4.43Å; K249-V254 HydrophobicContact CG-CG2 3.76Å |
| 255 | R | 95.9 | Very high | 95.1 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 160.7 | -179.3 | -56.1 | -174.5 | 86.7 | -171.4 | 5.7 | 111.1 | A248 E250 V253 F257 | A248-R255 PolarHBondContact N-O 2.84Å; A248-R255 PolarHBondContact O-N 3.41Å; E250-R255 WeakPolarHBondContact OE2-CD 3.47Å; E250-R255 IonicContact OE2-CZ 3.95Å; E250-R255 IonicContact OE2-NH1 3.23Å; E250-R255 PolarHBondContact OE2-NH1 3.38Å; V253-R255 HydrophobicContact CG1-CG 4.21Å; V253-R255 PolarHBondContact O-N 3.04Å; R255-F257 HydrophobicContact CB-CE2 3.77Å; R255-F257 HydrophobicContact CB-CZ 3.75Å |
| 256 | D | 96.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.5 | 176.8 | -65.7 | -11.1 | 0 | 0 | 0 | 108.9 | R224 L229 | R224-D256 IonicContact CZ-OD1 2.81Å; R224-D256 IonicContact NE-OD1 3.14Å; R224-D256 PolarHBondContact NE-OD1 3.29Å; R224-D256 IonicContact NE-OD2 2.72Å; R224-D256 IonicContact NH2-OD1 3.72Å; R224-D256 PolarHBondContact NH2-OD1 3.2Å; R224-D256 IonicContact NH2-OD2 3.82Å; L229-D256 HydrophobicContact CD1-CB 4.24Å; L229-D256 HydrophobicContact CD2-CB 3.92Å |
| 257 | F | 96.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119.2 | -179.2 | -63.7 | -78.9 | 0 | 0 | 0 | 110 | G245 C246 A248 E250 R255 E261 W263 C277 | G245-F257 CarbonylContact C-O 3.54Å; G245-F257 WeakPolarHBondContact CA-O 3.02Å; C246-F257 HydrophobicContact CB-CB 4.47Å; C246-F257 PolarHBondContact N-O 2.73Å; C246-F257 PolarHBondContact O-N 2.87Å; A248-F257 HydrophobicContact CB-CD2 4.01Å; A248-F257 HydrophobicContact CB-CE2 3.92Å; E250-F257 HydrophobicContact CB-CZ 3.94Å; R255-F257 HydrophobicContact CB-CE2 3.77Å; R255-F257 HydrophobicContact CB-CZ 3.75Å; F257-E261 WeakPolarHBondContact CA-OE2 3.14Å; F257-E261 HydrophobicContact CB-CB 4.28Å; F257-E261 HydrophobicContact CD1-CB 4.31Å; F257-W263 HydrophobicContact CB-CE3 4Å; F257-W263 HydrophobicContact CB-CZ3 3.95Å; F257-W263 HydrophobicContact CD1-CB 4.21Å; F257-W263 HydrophobicContact CD1-CD2 4.46Å; F257-W263 AromaticContact CD1-CE3 3.83Å; F257-W263 HydrophobicContact CD1-CE3 3.83Å; F257-W263 AromaticContact CD2-CD2 3.93Å; F257-W263 HydrophobicContact CD2-CD2 3.93Å; F257-W263 AromaticContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CG 4.38Å; F257-W263 HydrophobicContact CD2-CZ3 4.07Å; F257-W263 HydrophobicContact CE1-CB 3.5Å; F257-W263 HydrophobicContact CE1-CD2 4.46Å; F257-W263 HydrophobicContact CE1-CE3 4.25Å; F257-W263 HydrophobicContact CE1-CG 4.21Å; F257-W263 HydrophobicContact CE2-CB 3.99Å; F257-W263 AromaticContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CE3 4.06Å; F257-W263 AromaticContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CG-CD2 4.21Å; F257-W263 AromaticContact CG-CE3 3.5Å; F257-W263 HydrophobicContact CG-CE3 3.5Å; F257-W263 AromaticContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CZ-CB 3.37Å; F257-W263 HydrophobicContact CZ-CD2 4.19Å; F257-W263 HydrophobicContact CZ-CE3 4.35Å; F257-W263 AromaticContact CZ-CG 3.8Å; F257-W263 HydrophobicContact CZ-CG 3.8Å; F257-C277 HydrophobicContact CB-CB 4.32Å |
| 258 | A | 96.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 162.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G260 E261 C277 | A258-G260 PolarHBondContact O-N 2.83Å; A258-E261 HydrophobicContact CB-CG 4.08Å; A258-E261 PolarHBondContact N-OE2 3.18Å; A258-E261 WeakPolarHBondContact O-CB 3.49Å; A258-E261 PolarHBondContact O-N 2.05Å; A258-C277 WeakPolarHBondContact O-CB 3.35Å |
| 259 | F | 96.6 | Very high | 94.1 | Very high | 67 Ų | 67 | 73.3 Ų | 73.3 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 129.7 | 173.7 | -60.5 | -55.4 | 0 | 0 | 0 | 110.9 | F243 E261 N280 V284 | F243-F259 HydrophobicContact CB-CZ 3.89Å; F243-F259 WeakPolarHBondContact O-CE2 3.33Å; F259-E261 VanDerWaalsContact C-N 3.34Å; F259-N280 WeakPolarHBondContact CZ-O 3.37Å; F259-V284 HydrophobicContact CE1-CB 4.15Å; F259-V284 HydrophobicContact CE1-CG2 4.02Å |
| 260 | G | 96.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -20.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A258 K276 C277 | A258-G260 PolarHBondContact O-N 2.83Å; G260-K276 VanDerWaalsContact O-CE 3.24Å; G260-K276 WeakPolarHBondContact O-CE 3.09Å; G260-C277 PolarHBondContact N-O 2.86Å |
| 261 | E | 97.6 | Very high | 93.9 | Very high | 99 Ų | 99 | 69.2 Ų | 69.2 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | trans | -73 | 157.1 | 175.2 | -64.3 | -174.4 | 154.8 | 0 | 0 | 111.5 | F257 A258 F259 K276 C277 | F257-E261 WeakPolarHBondContact CA-OE2 3.14Å; F257-E261 HydrophobicContact CB-CB 4.28Å; F257-E261 HydrophobicContact CD1-CB 4.31Å; A258-E261 HydrophobicContact CB-CG 4.08Å; A258-E261 PolarHBondContact N-OE2 3.18Å; A258-E261 WeakPolarHBondContact O-CB 3.49Å; A258-E261 PolarHBondContact O-N 2.05Å; F259-E261 VanDerWaalsContact C-N 3.34Å; E261-K276 CarbonylContact O-C 3.56Å; E261-K276 WeakPolarHBondContact O-CA 3.35Å; E261-C277 PolarHBondContact O-N 3.02Å | ||
| 262 | S | 97.4 | Very high | 94.2 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.6 | -177.1 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | R274 I275 | S262-R274 PolarHBondContact OG-NE 3.05Å; S262-R274 PolarHBondContact OG-NH2 2.85Å; S262-R274 VanDerWaalsContact OG-NH2 3.09Å; S262-I275 CarbonylContact C-O 3.59Å; S262-I275 WeakPolarHBondContact CA-O 3.45Å; S262-I275 WeakPolarHBondContact CB-O 3.32Å |
| 263 | W | 97.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 169 | 177.8 | 65.2 | 99.7 | 0 | 0 | 0 | 111.4 | C246 A248 E250 F257 R274 I275 C277 T286 | C246-W263 HydrophobicContact CB-CH2 4.01Å; C246-W263 HydrophobicContact CB-CZ3 4.33Å; A248-W263 HydrophobicContact CB-CD2 4.04Å; A248-W263 HydrophobicContact CB-CH2 4.14Å; A248-W263 HydrophobicContact CB-CZ2 3.37Å; E250-W263 HydrophobicContact CB-CB 4.17Å; E250-W263 HydrophobicContact CG-CB 4.21Å; E250-W263 WeakPolarHBondContact OE1-CB 3.02Å; F257-W263 HydrophobicContact CB-CE3 4Å; F257-W263 HydrophobicContact CB-CZ3 3.95Å; F257-W263 HydrophobicContact CD1-CB 4.21Å; F257-W263 HydrophobicContact CD1-CD2 4.46Å; F257-W263 AromaticContact CD1-CE3 3.83Å; F257-W263 HydrophobicContact CD1-CE3 3.83Å; F257-W263 AromaticContact CD2-CD2 3.93Å; F257-W263 HydrophobicContact CD2-CD2 3.93Å; F257-W263 AromaticContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CG 4.38Å; F257-W263 HydrophobicContact CD2-CZ3 4.07Å; F257-W263 HydrophobicContact CE1-CB 3.5Å; F257-W263 HydrophobicContact CE1-CD2 4.46Å; F257-W263 HydrophobicContact CE1-CE3 4.25Å; F257-W263 HydrophobicContact CE1-CG 4.21Å; F257-W263 HydrophobicContact CE2-CB 3.99Å; F257-W263 AromaticContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CE3 4.06Å; F257-W263 AromaticContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CG-CD2 4.21Å; F257-W263 AromaticContact CG-CE3 3.5Å; F257-W263 HydrophobicContact CG-CE3 3.5Å; F257-W263 AromaticContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CZ-CB 3.37Å; F257-W263 HydrophobicContact CZ-CD2 4.19Å; F257-W263 HydrophobicContact CZ-CE3 4.35Å; F257-W263 AromaticContact CZ-CG 3.8Å; F257-W263 HydrophobicContact CZ-CG 3.8Å; W263-R274 CarbonylContact O-C 3.59Å; W263-R274 WeakPolarHBondContact O-CA 3.36Å; W263-I275 HydrophobicContact CD2-CB 4.16Å; W263-I275 HydrophobicContact CH2-CB 4.23Å; W263-I275 HydrophobicContact CH2-CG2 3.57Å; W263-I275 HydrophobicContact CZ2-CB 3.73Å; W263-I275 HydrophobicContact CZ2-CD1 4.43Å; W263-I275 HydrophobicContact CZ2-CG2 3.31Å; W263-I275 HydrophobicContact CZ3-CG2 4.27Å; W263-I275 PolarHBondContact N-O 2.83Å; W263-I275 PolarHBondContact O-N 3.33Å; W263-C277 HydrophobicContact CH2-CB 4.45Å; W263-C277 HydrophobicContact CZ3-CB 3.9Å; W263-T286 HydrophobicContact CH2-CG2 3.67Å; W263-T286 HydrophobicContact CZ2-CG2 4Å |
| 264 | Y | 95.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.7 | 174.7 | -63.2 | -80 | 0 | 0 | 0 | 111.9 | F251 Y273 R274 V292 R299 | F251-Y264 HydrophobicContact CZ-CD2 4.39Å; F251-Y264 HydrophobicContact CZ-CG 4.48Å; Y264-Y273 CarbonylContact C-O 3.54Å; Y264-Y273 WeakPolarHBondContact CA-O 3.29Å; Y264-R274 HydrophobicContact CD1-CB 3.96Å; Y264-R274 HydrophobicContact CD1-CG 4.2Å; Y264-R274 HydrophobicContact CE1-CB 3.65Å; Y264-R274 HydrophobicContact CE1-CG 3.72Å; Y264-V292 HydrophobicContact CD1-CG2 4.1Å; Y264-V292 HydrophobicContact CE1-CG2 3.85Å; Y264-R299 PolarHBondContact OH-NH2 3.31Å |
| 265 | T | 94.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 18% | 0.184 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -71 | 159 | 168.7 | 67 | 0 | 0 | 0 | 0 | 110.6 | Y273 I275 | T265-Y273 HydrophobicContact CG2-CD2 4.48Å; T265-Y273 PolarHBondContact N-O 2.94Å; T265-Y273 PolarHBondContact OG1-N 3.08Å; T265-I275 HydrophobicContact CG2-CD1 3.41Å; T265-I275 VanDerWaalsContact CG2-CD1 3.41Å; T265-I275 HydrophobicContact CG2-CG1 3.95Å |
| 266 | L | 92.2 | Very high | 95 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 134.5 | 164.5 | -77.1 | 166.3 | 0 | 0 | 0 | 109.8 | V268 | L266-V268 PolarHBondContact O-N 2.92Š|
| 267 | P | 91.1 | Very high | 95 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -62 | 133.3 | 174.5 | -22.2 | 33.1 | 0 | 0 | 0 | 111.7 | L271 | P267-L271 CarbonylContact C-O 3.6Å; P267-L271 WeakPolarHBondContact CA-O 3.4Å |
| 268 | V | 90.2 | Very high | 95 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 66% | 0.655 | 30% | 0.3 | S | S | * | . | B | Isolated β-bridge | trans | -106.9 | 106.3 | 167.3 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | L266 S270 L271 | L266-V268 PolarHBondContact O-N 2.92Å; V268-S270 PolarHBondContact O-N 2.6Å; V268-L271 PolarHBondContact N-O 3.13Å; V268-L271 PolarHBondContact O-N 3.25Å; V268-L271 VanDerWaalsContact O-N 3.15Å |
| 269 | K | 89.6 | Confident | 95 | Very high | 203 Ų | 203 | 56.9 Ų | 56.9 | 88% | 0.883 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -123.2 | -163.5 | -54.5 | 178.1 | 176.9 | -177.7 | 0 | 109 | ||
| 270 | S | 91 | Very high | 95 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 5.2 | -178.5 | -51.4 | 0 | 0 | 0 | 0 | 113.6 | V268 A293 N294 L295 | V268-S270 PolarHBondContact O-N 2.6Å; S270-A293 CarbonylContact O-C 3.59Å; S270-A293 WeakPolarHBondContact O-CA 3.45Å; S270-N294 VanDerWaalsContact CB-O 3.23Å; S270-N294 WeakPolarHBondContact CB-O 3.35Å; S270-N294 PolarHBondContact O-N 2.85Å; S270-L295 WeakPolarHBondContact OG-CD2 3.33Å |
| 271 | L | 93.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.9 | -173.8 | -62.7 | 176.8 | 0 | 0 | 0 | 111.3 | P267 V268 V292 A293 F316 A328 | P267-L271 CarbonylContact C-O 3.6Å; P267-L271 WeakPolarHBondContact CA-O 3.4Å; V268-L271 PolarHBondContact N-O 3.13Å; V268-L271 PolarHBondContact O-N 3.25Å; V268-L271 VanDerWaalsContact O-N 3.15Å; L271-V292 CarbonylContact C-O 3.5Å; L271-V292 WeakPolarHBondContact CA-O 3.33Å; L271-A293 HydrophobicContact CD2-CB 3.97Å; L271-F316 HydrophobicContact CD2-CD2 4.45Å; L271-F316 HydrophobicContact CD2-CE2 3.84Å; L271-F316 HydrophobicContact CD2-CZ 4.48Å; L271-A328 HydrophobicContact CD1-CB 4.01Å; L271-A328 HydrophobicContact CD2-CB 4.27Å |
| 272 | S | 94.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 172.2 | 167.2 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | V292 | S272-V292 PolarHBondContact N-O 3.43Å; S272-V292 PolarHBondContact O-N 2.96Å; S272-V292 WeakPolarHBondContact OG-CB 3.49Å |
| 273 | Y | 95.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.7 | 179.1 | -58.5 | -85 | 0 | 0 | 0 | 109.6 | Y264 T265 I288 C291 V326 A328 | Y264-Y273 CarbonylContact C-O 3.54Å; Y264-Y273 WeakPolarHBondContact CA-O 3.29Å; T265-Y273 HydrophobicContact CG2-CD2 4.48Å; T265-Y273 PolarHBondContact N-O 2.94Å; T265-Y273 PolarHBondContact OG1-N 3.08Å; Y273-I288 HydrophobicContact CD1-CD1 4.24Å; Y273-I288 HydrophobicContact CD1-CG2 3.76Å; Y273-I288 HydrophobicContact CG-CD1 4.4Å; Y273-I288 HydrophobicContact CG-CG2 4.33Å; Y273-C291 HydrophobicContact CD1-CB 4.47Å; Y273-V326 HydrophobicContact CE1-CG1 4.47Å; Y273-A328 HydrophobicContact CE1-CB 3.7Å; Y273-A328 PolarHBondContact OH-N 2.89Å |
| 274 | R | 97 | Very high | 94.7 | Very high | 75 Ų | 75 | 67.3 Ų | 67.3 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.7 | 162.6 | -166.4 | -177.4 | 176.5 | -178.5 | -3.4 | 108.5 | S262 W263 Y264 V289 E290 | S262-R274 PolarHBondContact OG-NE 3.05Å; S262-R274 PolarHBondContact OG-NH2 2.85Å; S262-R274 VanDerWaalsContact OG-NH2 3.09Å; W263-R274 CarbonylContact O-C 3.59Å; W263-R274 WeakPolarHBondContact O-CA 3.36Å; Y264-R274 HydrophobicContact CD1-CB 3.96Å; Y264-R274 HydrophobicContact CD1-CG 4.2Å; Y264-R274 HydrophobicContact CE1-CB 3.65Å; Y264-R274 HydrophobicContact CE1-CG 3.72Å; R274-V289 HydrophobicContact CB-CG2 4.16Å; R274-V289 HydrophobicContact CG-CG2 4.05Å; R274-V289 WeakPolarHBondContact O-CG2 3.35Å; R274-V289 PolarHBondContact O-N 3.12Å; R274-E290 HydrophobicContact CB-CB 3.93Å; R274-E290 WeakPolarHBondContact CD-OE2 3.01Å; R274-E290 IonicContact CZ-OE2 2.88Å; R274-E290 PolarHBondContact N-O 2.85Å; R274-E290 IonicContact NE-OE2 3.48Å; R274-E290 IonicContact NH1-OE1 2.62Å; R274-E290 PolarHBondContact NH1-OE1 2.85Å; R274-E290 IonicContact NH1-OE2 3.73Å; R274-E290 PolarHBondContact NH1-OE2 2.87Å; R274-E290 PolarHBondContact O-N 2.77Å |
| 275 | I | 96.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.8 | 178.8 | -56.2 | 179.7 | 0 | 0 | 0 | 108.2 | S262 W263 T265 T286 E287 I288 | S262-I275 CarbonylContact C-O 3.59Å; S262-I275 WeakPolarHBondContact CA-O 3.45Å; S262-I275 WeakPolarHBondContact CB-O 3.32Å; W263-I275 HydrophobicContact CD2-CB 4.16Å; W263-I275 HydrophobicContact CH2-CB 4.23Å; W263-I275 HydrophobicContact CH2-CG2 3.57Å; W263-I275 HydrophobicContact CZ2-CB 3.73Å; W263-I275 HydrophobicContact CZ2-CD1 4.43Å; W263-I275 HydrophobicContact CZ2-CG2 3.31Å; W263-I275 HydrophobicContact CZ3-CG2 4.27Å; W263-I275 PolarHBondContact N-O 2.83Å; W263-I275 PolarHBondContact O-N 3.33Å; T265-I275 HydrophobicContact CG2-CD1 3.41Å; T265-I275 VanDerWaalsContact CG2-CD1 3.41Å; T265-I275 HydrophobicContact CG2-CG1 3.95Å; I275-T286 HydrophobicContact CG2-CG2 4.48Å; I275-E287 CarbonylContact C-O 3.43Å; I275-E287 WeakPolarHBondContact CA-O 3.44Å; I275-I288 HydrophobicContact CG1-CG1 4.05Å |
| 276 | K | 97.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 76 Ų | 76 | 35% | 0.352 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.5 | 176.1 | -171.1 | 176.3 | -177.9 | 176.1 | 0 | 110 | G260 E261 T278 E287 V289 | G260-K276 VanDerWaalsContact O-CE 3.24Å; G260-K276 WeakPolarHBondContact O-CE 3.09Å; E261-K276 CarbonylContact O-C 3.56Å; E261-K276 WeakPolarHBondContact O-CA 3.35Å; K276-T278 HydrophobicContact CB-CG2 4.46Å; K276-T278 HydrophobicContact CD-CG2 4.35Å; K276-T278 HydrophobicContact CG-CG2 4.18Å; K276-T278 PolarHBondContact O-N 2.87Å; K276-E287 PolarHBondContact N-O 2.78Å; K276-E287 PolarHBondContact O-N 3.47Å; K276-V289 HydrophobicContact CB-CG1 3.57Å; K276-V289 HydrophobicContact CB-CG2 4.11Å; K276-V289 HydrophobicContact CD-CG1 4.11Å; K276-V289 HydrophobicContact CG-CG1 4.49Å |
| 277 | C | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 120.9 | 168.5 | -167.6 | 0 | 0 | 0 | 0 | 108.8 | C246 F257 A258 G260 E261 W263 | C246-C277 HydrophobicContact CB-CB 3.79Å; C246-C277 WeakPolarHBondContact CB-SG 3.41Å; C246-C277 PolarHBondContact N-SG 3.27Å; C246-C277 WeakPolarHBondContact SG-CA 3.12Å; C246-C277 WeakPolarHBondContact SG-CB 3.43Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.08Å; F257-C277 HydrophobicContact CB-CB 4.32Å; A258-C277 WeakPolarHBondContact O-CB 3.35Å; G260-C277 PolarHBondContact N-O 2.86Å; E261-C277 PolarHBondContact O-N 3.02Å; W263-C277 HydrophobicContact CH2-CB 4.45Å; W263-C277 HydrophobicContact CZ3-CB 3.9Å |
| 278 | T | 96.4 | Very high | 95.2 | Very high | 25 Ų | 25 | 73.4 Ų | 73.4 | 15% | 0.153 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.7 | 178.3 | 65.3 | 0 | 0 | 0 | 0 | 109.5 | K276 R285 E287 | K276-T278 HydrophobicContact CB-CG2 4.46Å; K276-T278 HydrophobicContact CD-CG2 4.35Å; K276-T278 HydrophobicContact CG-CG2 4.18Å; K276-T278 PolarHBondContact O-N 2.87Å; T278-R285 CarbonylContact C-O 3.6Å; T278-R285 PolarHBondContact N-O 2.88Å; T278-R285 PolarHBondContact O-N 3.15Å; T278-R285 WeakPolarHBondContact OG1-CG 3.24Å; T278-R285 PolarHBondContact OG1-NE 2.78Å; T278-R285 PolarHBondContact OG1-O 2.79Å; T278-R285 VanDerWaalsContact OG1-O 3.05Å; T278-E287 HydrophobicContact CG2-CB 4.39Å |
| 279 | G | 95.4 | Very high | 95.5 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -164.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S283 | G279-S283 CarbonylContact C-O 3.52Å; G279-S283 WeakPolarHBondContact CA-O 3.2Å |
| 280 | N | 96.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | -172.2 | 178.2 | 57.6 | 39 | 0 | 0 | 0 | 108.7 | F259 R282 S283 | F259-N280 WeakPolarHBondContact CZ-O 3.37Å; N280-R282 PolarHBondContact O-N 3.47Å; N280-R282 WeakPolarHBondContact OD1-CA 3.33Å; N280-R282 WeakPolarHBondContact OD1-CB 3.49Å; N280-R282 PolarHBondContact OD1-N 2.86Å; N280-S283 PolarHBondContact N-O 2.81Å; N280-S283 PolarHBondContact O-N 3.14Å; N280-S283 PolarHBondContact OD1-N 3.07Å; N280-S283 VanDerWaalsContact OD1-N 3.08Å; N280-S283 PolarHBondContact OD1-OG 3.29Å |
| 281 | E | 96.2 | Very high | 96.1 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.2 | -179.4 | -69.8 | -173.3 | 179.7 | 0 | 0 | 115.2 | K233 V242 F243 | K233-E281 IonicContact NZ-OE1 3.07Å; K233-E281 PolarHBondContact NZ-OE1 3.3Å; K233-E281 IonicContact NZ-OE2 2.73Å; K233-E281 PolarHBondContact NZ-OE2 2.96Å; V242-E281 HydrophobicContact CB-CB 3.8Å; V242-E281 HydrophobicContact CB-CG 4.05Å; V242-E281 HydrophobicContact CG1-CB 4.03Å; V242-E281 HydrophobicContact CG1-CG 4.44Å; V242-E281 HydrophobicContact CG2-CB 4.42Å; V242-E281 HydrophobicContact CG2-CG 4.1Å; F243-E281 PolarHBondContact N-O 3.18Å |
| 282 | R | 95.9 | Very high | 96.2 | Very high | 197 Ų | 197 | 58.9 Ų | 58.9 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -21.6 | -178.3 | -58 | -177.6 | 178.1 | -175.4 | -1.5 | 114.1 | F243 N280 | F243-R282 VanDerWaalsContact CD2-C 3.45Å; F243-R282 WeakPolarHBondContact CE2-O 3.34Å; N280-R282 PolarHBondContact O-N 3.47Å; N280-R282 WeakPolarHBondContact OD1-CA 3.33Å; N280-R282 WeakPolarHBondContact OD1-CB 3.49Å; N280-R282 PolarHBondContact OD1-N 2.86Å |
| 283 | S | 96 | Very high | 96.2 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 142.5 | -176.3 | 60.6 | 0 | 0 | 0 | 0 | 111 | G279 N280 | G279-S283 CarbonylContact C-O 3.52Å; G279-S283 WeakPolarHBondContact CA-O 3.2Å; N280-S283 PolarHBondContact N-O 2.81Å; N280-S283 PolarHBondContact O-N 3.14Å; N280-S283 PolarHBondContact OD1-N 3.07Å; N280-S283 VanDerWaalsContact OD1-N 3.08Å; N280-S283 PolarHBondContact OD1-OG 3.29Å |
| 284 | V | 96 | Very high | 95.8 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138 | 175.2 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | V228 F243 G245 C246 F259 | V228-V284 HydrophobicContact CG1-CG1 4.11Å; F243-V284 HydrophobicContact CB-CB 4.39Å; F243-V284 HydrophobicContact CD1-CB 4.1Å; F243-V284 HydrophobicContact CD1-CG1 3.44Å; F243-V284 VanDerWaalsContact CD1-CG1 3.44Å; F243-V284 HydrophobicContact CE1-CG1 3.62Å; F243-V284 HydrophobicContact CG-CB 4.25Å; F243-V284 HydrophobicContact CG-CG1 4.03Å; F243-V284 HydrophobicContact CZ-CG1 4.32Å; G245-V284 WeakPolarHBondContact O-CG2 3.04Å; C246-V284 HydrophobicContact CB-CG2 4.5Å; C246-V284 WeakPolarHBondContact SG-CG2 3.4Å; F259-V284 HydrophobicContact CE1-CB 4.15Å; F259-V284 HydrophobicContact CE1-CG2 4.02Å |
| 285 | R | 95.2 | Very high | 95.1 | Very high | 177 Ų | 177 | 58.2 Ų | 58.2 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151.5 | 172.1 | 71.8 | -170.9 | -178.4 | -166.6 | 0.9 | 110.9 | T278 | T278-R285 CarbonylContact C-O 3.6Å; T278-R285 PolarHBondContact N-O 2.88Å; T278-R285 PolarHBondContact O-N 3.15Å; T278-R285 WeakPolarHBondContact OG1-CG 3.24Å; T278-R285 PolarHBondContact OG1-NE 2.78Å; T278-R285 PolarHBondContact OG1-O 2.79Å; T278-R285 VanDerWaalsContact OG1-O 3.05Å |
| 286 | T | 95.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.6 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | C246 W263 I275 | C246-T286 HydrophobicContact CB-CG2 4.29Å; W263-T286 HydrophobicContact CH2-CG2 3.67Å; W263-T286 HydrophobicContact CZ2-CG2 4Å; I275-T286 HydrophobicContact CG2-CG2 4.48Å |
| 287 | E | 95.3 | Very high | 93.4 | Very high | 70 Ų | 70 | 67.3 Ų | 67.3 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.3 | 177.8 | -179.6 | 168.1 | -155.1 | 0 | 0 | 110.9 | I275 K276 T278 V289 R320 | I275-E287 CarbonylContact C-O 3.43Å; I275-E287 WeakPolarHBondContact CA-O 3.44Å; K276-E287 PolarHBondContact N-O 2.78Å; K276-E287 PolarHBondContact O-N 3.47Å; T278-E287 HydrophobicContact CG2-CB 4.39Å; E287-V289 HydrophobicContact CG-CG1 4.42Å; E287-V289 PolarHBondContact O-N 2.96Å; E287-R320 IonicContact OE1-NH2 2.76Å; E287-R320 PolarHBondContact OE1-NH2 3.22Å; E287-R320 VanDerWaalsContact OE1-NH2 3.07Å |
| 288 | I | 96.5 | Very high | 92.8 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 22% | 0.221 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 117.3 | 168 | -64.8 | 165.5 | 0 | 0 | 0 | 107.3 | Y273 I275 V304 V326 | Y273-I288 HydrophobicContact CD1-CD1 4.24Å; Y273-I288 HydrophobicContact CD1-CG2 3.76Å; Y273-I288 HydrophobicContact CG-CD1 4.4Å; Y273-I288 HydrophobicContact CG-CG2 4.33Å; I275-I288 HydrophobicContact CG1-CG1 4.05Å; I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.26Å; I288-V304 WeakPolarHBondContact O-CG2 3.37Å; I288-V326 HydrophobicContact CB-CB 4.15Å; I288-V326 HydrophobicContact CB-CG1 4.37Å; I288-V326 HydrophobicContact CB-CG2 4.08Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.5Å; I288-V326 HydrophobicContact CG2-CB 4.05Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.3Å |
| 289 | V | 96.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 74.1 Ų | 74.1 | 24% | 0.242 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -29.8 | -178.5 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | R274 K276 E287 V304 | R274-V289 HydrophobicContact CB-CG2 4.16Å; R274-V289 HydrophobicContact CG-CG2 4.05Å; R274-V289 WeakPolarHBondContact O-CG2 3.35Å; R274-V289 PolarHBondContact O-N 3.12Å; K276-V289 HydrophobicContact CB-CG1 3.57Å; K276-V289 HydrophobicContact CB-CG2 4.11Å; K276-V289 HydrophobicContact CD-CG1 4.11Å; K276-V289 HydrophobicContact CG-CG1 4.49Å; E287-V289 HydrophobicContact CG-CG1 4.42Å; E287-V289 PolarHBondContact O-N 2.96Å; V289-V304 PolarHBondContact O-N 2.9Å |
| 290 | E | 97.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 76.9 Ų | 76.9 | 19% | 0.192 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.5 | 179.1 | -55.2 | 171.9 | 152.3 | 0 | 0 | 110.8 | R274 T301 L302 | R274-E290 HydrophobicContact CB-CB 3.93Å; R274-E290 WeakPolarHBondContact CD-OE2 3.01Å; R274-E290 IonicContact CZ-OE2 2.88Å; R274-E290 PolarHBondContact N-O 2.85Å; R274-E290 IonicContact NE-OE2 3.48Å; R274-E290 IonicContact NH1-OE1 2.62Å; R274-E290 PolarHBondContact NH1-OE1 2.85Å; R274-E290 IonicContact NH1-OE2 3.73Å; R274-E290 PolarHBondContact NH1-OE2 2.87Å; R274-E290 PolarHBondContact O-N 2.77Å; E290-T301 HydrophobicContact CB-CG2 3.57Å; E290-T301 VanDerWaalsContact CD-CG2 3.47Å; E290-T301 HydrophobicContact CG-CG2 3.93Å; E290-T301 VanDerWaalsContact OE2-CG2 3.3Å; E290-T301 WeakPolarHBondContact OE2-CG2 3.36Å; E290-L302 CarbonylContact C-O 3.52Å; E290-L302 VanDerWaalsContact CA-O 3.24Å; E290-L302 WeakPolarHBondContact CA-O 3.34Å |
| 291 | C | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142 | 163.5 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | Y273 T301 L302 F316 C318 A328 | Y273-C291 HydrophobicContact CD1-CB 4.47Å; C291-T301 CarbonylContact O-C 3.51Å; C291-T301 WeakPolarHBondContact O-CA 3Å; C291-L302 PolarHBondContact N-O 3.2Å; C291-L302 PolarHBondContact O-N 3.31Å; C291-F316 HydrophobicContact CB-CE2 4.17Å; C291-F316 HydrophobicContact CB-CZ 3.62Å; C291-C318 HydrophobicContact CB-CB 3.48Å; C291-C318 VanDerWaalsContact CB-CB 3.48Å; C291-C318 WeakPolarHBondContact CB-SG 3.48Å; C291-C318 PolarHBondContact N-SG 2.89Å; C291-C318 VanDerWaalsContact SG-CA 3.51Å; C291-C318 WeakPolarHBondContact SG-CB 3.26Å; C291-C318 CovalentContact SG-SG 2.02Å; C291-C318 PolarHBondContact SG-SG 2.81Å; C291-A328 HydrophobicContact CB-CB 3.78Å |
| 292 | V | 95.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.5 | -178.4 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | Y264 L271 S272 R299 R300 T301 | Y264-V292 HydrophobicContact CD1-CG2 4.1Å; Y264-V292 HydrophobicContact CE1-CG2 3.85Å; L271-V292 CarbonylContact C-O 3.5Å; L271-V292 WeakPolarHBondContact CA-O 3.33Å; S272-V292 PolarHBondContact N-O 3.43Å; S272-V292 PolarHBondContact O-N 2.96Å; S272-V292 WeakPolarHBondContact OG-CB 3.49Å; V292-R299 HydrophobicContact CG1-CG 3.85Å; V292-R300 WeakPolarHBondContact CA-O 3.11Å; V292-T301 HydrophobicContact CG2-CG2 4.15Å |
| 293 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S270 L271 R299 R300 Y310 F316 | S270-A293 CarbonylContact O-C 3.59Å; S270-A293 WeakPolarHBondContact O-CA 3.45Å; L271-A293 HydrophobicContact CD2-CB 3.97Å; A293-R299 WeakPolarHBondContact O-CA 3.23Å; A293-R300 PolarHBondContact N-O 2.84Å; A293-R300 PolarHBondContact O-N 2.8Å; A293-Y310 HydrophobicContact CB-CD2 4.18Å; A293-Y310 HydrophobicContact CB-CE2 3.78Å; A293-F316 HydrophobicContact CB-CD1 3.91Å; A293-F316 HydrophobicContact CB-CD2 4.15Å; A293-F316 HydrophobicContact CB-CE1 3.74Å; A293-F316 HydrophobicContact CB-CE2 4.01Å; A293-F316 HydrophobicContact CB-CG 4.14Å; A293-F316 HydrophobicContact CB-CZ 3.8Å |
| 294 | N | 88.8 | Confident | 92.1 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 101.1 | 176.3 | -164 | 9.6 | 0 | 0 | 0 | 108.9 | S270 | S270-N294 VanDerWaalsContact CB-O 3.23Å; S270-N294 WeakPolarHBondContact CB-O 3.35Å; S270-N294 PolarHBondContact O-N 2.85Å |
| 295 | L | 82.6 | Confident | 91.9 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 179.9 | 178.5 | -63.6 | 163 | 0 | 0 | 0 | 108.9 | S270 Q297 G298 Y310 L330 | S270-L295 WeakPolarHBondContact OG-CD2 3.33Å; L295-Q297 PolarHBondContact O-N 2.9Å; L295-G298 PolarHBondContact N-O 3.06Å; L295-G298 PolarHBondContact O-N 3.09Å; L295-Y310 HydrophobicContact CB-CE1 3.97Å; L295-Y310 WeakPolarHBondContact CB-OH 3.13Å; L295-Y310 HydrophobicContact CD1-CD1 3.92Å; L295-Y310 HydrophobicContact CD1-CE1 3.51Å; L295-Y310 HydrophobicContact CD1-CE2 4.48Å; L295-Y310 HydrophobicContact CG-CE1 4.27Å; L295-Y310 PolarHBondContact N-OH 3.37Å; L295-L330 HydrophobicContact CD1-CD1 4.14Å; L295-L330 HydrophobicContact CD1-CD2 3.36Å; L295-L330 HydrophobicContact CD1-CG 4.38Å; L295-L330 HydrophobicContact CD2-CD2 4.32Å; L295-L330 HydrophobicContact CG-CD2 4.4Å |
| 296 | D | 80.9 | Confident | 91.7 | Very high | 174 Ų | 174 | 56.9 Ų | 56.9 | 93% | 0.93 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.4 | -178.4 | -49.1 | -31.1 | 0 | 0 | 0 | 113.3 | G298 | D296-G298 PolarHBondContact O-N 2.91Š|
| 297 | Q | 76.7 | Confident | 91.5 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.7 | 176.8 | -62.4 | 171.4 | -20.3 | 0 | 0 | 113.7 | L295 Y310 G311 | L295-Q297 PolarHBondContact O-N 2.9Å; Q297-Y310 HydrophobicContact CB-CE1 3.95Å; Q297-Y310 VanDerWaalsContact OE1-CD1 3.3Å; Q297-Y310 VanDerWaalsContact OE1-CE1 3.24Å; Q297-G311 VanDerWaalsContact OE1-CA 3.26Å |
| 298 | G | 85.6 | Confident | 91.2 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.2 | -162.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L295 D296 Y310 | L295-G298 PolarHBondContact N-O 3.06Å; L295-G298 PolarHBondContact O-N 3.09Å; D296-G298 PolarHBondContact O-N 2.91Å; G298-Y310 PolarHBondContact O-OH 2.02Å |
| 299 | R | 90.8 | Very high | 90.8 | Very high | 135 Ų | 135 | 52.6 Ų | 52.6 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.2 | -176.1 | -176 | 179.5 | 171.8 | -170.1 | -5.9 | 110.6 | Y264 V292 A293 | Y264-R299 PolarHBondContact OH-NH2 3.31Å; V292-R299 HydrophobicContact CG1-CG 3.85Å; A293-R299 WeakPolarHBondContact O-CA 3.23Å |
| 300 | R | 92.2 | Very high | 90.2 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.5 | 169.7 | -164.7 | 75.9 | 176.6 | -172.3 | -1.2 | 109.9 | V292 A293 Y310 F316 | V292-R300 WeakPolarHBondContact CA-O 3.11Å; A293-R300 PolarHBondContact N-O 2.84Å; A293-R300 PolarHBondContact O-N 2.8Å; R300-Y310 HydrophobicContact CB-CD2 3.53Å; R300-Y310 HydrophobicContact CB-CE2 3.26Å; R300-Y310 HydrophobicContact CG-CD2 4.05Å; R300-Y310 HydrophobicContact CG-CE2 4.26Å; R300-F316 HydrophobicContact CB-CD1 4.39Å; R300-F316 HydrophobicContact CG-CD1 4.26Å |
| 301 | T | 94.5 | Very high | 89.5 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 28% | 0.282 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.3 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 108.9 | E290 C291 V292 | E290-T301 HydrophobicContact CB-CG2 3.57Å; E290-T301 VanDerWaalsContact CD-CG2 3.47Å; E290-T301 HydrophobicContact CG-CG2 3.93Å; E290-T301 VanDerWaalsContact OE2-CG2 3.3Å; E290-T301 WeakPolarHBondContact OE2-CG2 3.36Å; C291-T301 CarbonylContact O-C 3.51Å; C291-T301 WeakPolarHBondContact O-CA 3Å; V292-T301 HydrophobicContact CG2-CG2 4.15Å |
| 302 | L | 94.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.5 | 176.7 | -70.1 | 179.4 | 0 | 0 | 0 | 110.5 | E290 C291 A308 F316 C318 | E290-L302 CarbonylContact C-O 3.52Å; E290-L302 VanDerWaalsContact CA-O 3.24Å; E290-L302 WeakPolarHBondContact CA-O 3.34Å; C291-L302 PolarHBondContact N-O 3.2Å; C291-L302 PolarHBondContact O-N 3.31Å; L302-A308 HydrophobicContact CD2-CB 3.85Å; L302-F316 HydrophobicContact CB-CD1 4.41Å; L302-F316 HydrophobicContact CB-CE1 4.05Å; L302-F316 HydrophobicContact CD1-CB 4.08Å; L302-F316 HydrophobicContact CD1-CD1 3.26Å; L302-F316 HydrophobicContact CD1-CD2 4.44Å; L302-F316 HydrophobicContact CD1-CE1 3.71Å; L302-F316 HydrophobicContact CD1-CG 3.68Å; L302-F316 HydrophobicContact CD1-CZ 4.44Å; L302-F316 WeakPolarHBondContact CD1-O 3.36Å; L302-F316 HydrophobicContact CG-CD1 3.6Å; L302-F316 HydrophobicContact CG-CE1 3.7Å; L302-F316 HydrophobicContact CG-CG 4.48Å; L302-C318 HydrophobicContact CB-CB 4.02Å |
| 303 | P | 95.7 | Very high | 88.5 | Confident | 47 Ų | 47 | 61 Ų | 61 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 149.2 | 162.9 | -25.7 | 31.8 | 0 | 0 | 0 | 112.5 | G305 Q306 | P303-G305 PolarHBondContact O-N 2.76Å; P303-Q306 HydrophobicContact CB-CG 4.3Å; P303-Q306 WeakPolarHBondContact O-CB 3.45Å; P303-Q306 PolarHBondContact O-N 2.97Å |
| 304 | V | 93.9 | Very high | 88.3 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 131.1 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | I288 V289 R320 V326 | I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.26Å; I288-V304 WeakPolarHBondContact O-CG2 3.37Å; V289-V304 PolarHBondContact O-N 2.9Å; V304-R320 HydrophobicContact CG1-CG 4.05Å; V304-V326 HydrophobicContact CG1-CG1 4.36Å; V304-V326 HydrophobicContact CG1-CG2 3.96Å; V304-V326 HydrophobicContact CG2-CG1 3.85Å; V304-V326 HydrophobicContact CG2-CG2 4.02Å |
| 305 | G | 91.1 | Very high | 88.4 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -0.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P303 C318 | P303-G305 PolarHBondContact O-N 2.76Å; G305-C318 WeakPolarHBondContact CA-O 3.47Å; G305-C318 PolarHBondContact N-O 3.35Å |
| 306 | Q | 91.3 | Very high | 88.9 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 160.7 | -176.3 | -61 | -175.2 | -1.9 | 0 | 0 | 113.1 | P303 C318 C351 V354 | P303-Q306 HydrophobicContact CB-CG 4.3Å; P303-Q306 WeakPolarHBondContact O-CB 3.45Å; P303-Q306 PolarHBondContact O-N 2.97Å; Q306-C318 PolarHBondContact N-O 2.89Å; Q306-C318 PolarHBondContact O-N 3.06Å; Q306-C351 VanDerWaalsContact C-SG 3.51Å; Q306-V354 HydrophobicContact CB-CG2 4.21Å; Q306-V354 HydrophobicContact CG-CG2 4.19Å |
| 307 | C | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.7 | 167.6 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | M315 F316 Y336 C351 R352 V354 | C307-M315 HydrophobicContact CB-CE 4.2Å; C307-F316 CarbonylContact C-O 3.55Å; C307-F316 WeakPolarHBondContact CA-O 3.24Å; C307-F316 VanDerWaalsContact CB-O 3.24Å; C307-F316 WeakPolarHBondContact CB-O 3.31Å; C307-Y336 PolarHBondContact SG-OH 2.91Å; C307-Y336 VanDerWaalsContact SG-OH 3.34Å; C307-C351 VanDerWaalsContact CA-SG 3.51Å; C307-C351 HydrophobicContact CB-CB 4.25Å; C307-C351 WeakPolarHBondContact CB-SG 3.43Å; C307-C351 PolarHBondContact N-SG 3.41Å; C307-C351 WeakPolarHBondContact SG-CB 3.4Å; C307-C351 CovalentContact SG-SG 2Å; C307-C351 PolarHBondContact SG-SG 2.84Å; C307-R352 PolarHBondContact N-O 3.25Å; C307-V354 PolarHBondContact O-N 2.8Å; C307-V354 VanDerWaalsContact O-N 3.08Å |
| 308 | A | 89.7 | Confident | 90.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 156.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L302 F316 | L302-A308 HydrophobicContact CD2-CB 3.85Å; A308-F316 PolarHBondContact N-O 3.24Å; A308-F316 PolarHBondContact O-N 2.89Å |
| 309 | K | 88 | Confident | 90.5 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 139.4 | 163.7 | -155.1 | -169.4 | -178.2 | -165.2 | 0 | 108.2 | G311 D312 M315 | K309-G311 WeakPolarHBondContact CD-O 2.87Å; K309-G311 WeakPolarHBondContact CE-O 3.18Å; K309-G311 VanDerWaalsContact CG-O 3.28Å; K309-G311 WeakPolarHBondContact CG-O 3.3Å; K309-D312 WeakPolarHBondContact CE-O 3.45Å; K309-D312 PolarHBondContact NZ-O 2.86Å; K309-D312 IonicContact NZ-OD1 3.2Å; K309-D312 PolarHBondContact NZ-OD1 2.88Å; K309-M315 HydrophobicContact CB-SD 4.21Å; K309-M315 HydrophobicContact CG-SD 4.28Å |
| 310 | Y | 83.9 | Confident | 90.5 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 101.8 | 175.4 | -166.4 | -64.5 | 0 | 0 | 0 | 106.9 | A293 L295 Q297 G298 R300 R314 F316 L330 | A293-Y310 HydrophobicContact CB-CD2 4.18Å; A293-Y310 HydrophobicContact CB-CE2 3.78Å; L295-Y310 HydrophobicContact CB-CE1 3.97Å; L295-Y310 WeakPolarHBondContact CB-OH 3.13Å; L295-Y310 HydrophobicContact CD1-CD1 3.92Å; L295-Y310 HydrophobicContact CD1-CE1 3.51Å; L295-Y310 HydrophobicContact CD1-CE2 4.48Å; L295-Y310 HydrophobicContact CG-CE1 4.27Å; L295-Y310 PolarHBondContact N-OH 3.37Å; Q297-Y310 HydrophobicContact CB-CE1 3.95Å; Q297-Y310 VanDerWaalsContact OE1-CD1 3.3Å; Q297-Y310 VanDerWaalsContact OE1-CE1 3.24Å; G298-Y310 PolarHBondContact O-OH 2.02Å; R300-Y310 HydrophobicContact CB-CD2 3.53Å; R300-Y310 HydrophobicContact CB-CE2 3.26Å; R300-Y310 HydrophobicContact CG-CD2 4.05Å; R300-Y310 HydrophobicContact CG-CE2 4.26Å; Y310-R314 PolarHBondContact N-O 3.48Å; Y310-R314 WeakPolarHBondContact O-CB 3.4Å; Y310-F316 HydrophobicContact CD2-CB 4.2Å; Y310-F316 HydrophobicContact CD2-CD1 4.41Å; Y310-L330 HydrophobicContact CG-CD1 4.22Å |
| 311 | G | 82 | Confident | 90.3 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | -153.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q297 K309 | Q297-G311 VanDerWaalsContact OE1-CA 3.26Å; K309-G311 WeakPolarHBondContact CD-O 2.87Å; K309-G311 WeakPolarHBondContact CE-O 3.18Å; K309-G311 VanDerWaalsContact CG-O 3.28Å; K309-G311 WeakPolarHBondContact CG-O 3.3Å |
| 312 | D | 83 | Confident | 89.8 | Confident | 138 Ų | 138 | 46.9 Ų | 46.9 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -27.3 | -175.1 | -75.6 | -40.2 | 0 | 0 | 0 | 115 | K309 | K309-D312 WeakPolarHBondContact CE-O 3.45Å; K309-D312 PolarHBondContact NZ-O 2.86Å; K309-D312 IonicContact NZ-OD1 3.2Å; K309-D312 PolarHBondContact NZ-OD1 2.88Å |
| 313 | D | 88.4 | Confident | 89.5 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -7.7 | -167.7 | 67.3 | -38.2 | 0 | 0 | 0 | 113.5 | T332 V333 | D313-T332 CarbonylContact O-C 3.56Å; D313-T332 VanDerWaalsContact O-CA 3.23Å; D313-T332 WeakPolarHBondContact O-CA 3.15Å; D313-V333 PolarHBondContact O-N 3.26Å |
| 314 | R | 89.9 | Confident | 89 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 152.7 | -174.5 | -59.8 | 173.8 | -167.9 | -166.1 | 0.5 | 114.3 | Y310 L330 V331 | Y310-R314 PolarHBondContact N-O 3.48Å; Y310-R314 WeakPolarHBondContact O-CB 3.4Å; R314-L330 HydrophobicContact CB-CD1 4.17Å; R314-L330 HydrophobicContact CB-CG 4.48Å; R314-V331 CarbonylContact C-O 3.24Å; R314-V331 VanDerWaalsContact CA-O 3.24Å; R314-V331 WeakPolarHBondContact CA-O 3.18Å; R314-V331 WeakPolarHBondContact CB-O 3.24Å |
| 315 | M | 90.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.2 | 171.3 | -73.3 | -62.1 | -62.8 | 0 | 0 | 109.1 | C307 K309 L330 V331 V333 Y336 L353 | C307-M315 HydrophobicContact CB-CE 4.2Å; K309-M315 HydrophobicContact CB-SD 4.21Å; K309-M315 HydrophobicContact CG-SD 4.28Å; M315-L330 WeakPolarHBondContact O-CA 3.39Å; M315-V331 HydrophobicContact CB-CG2 4.24Å; M315-V331 PolarHBondContact N-O 3.14Å; M315-V331 PolarHBondContact O-N 3.28Å; M315-V333 HydrophobicContact CG-CB 4.46Å; M315-V333 HydrophobicContact CG-CG2 3.94Å; M315-V333 HydrophobicContact SD-CG2 4.46Å; M315-Y336 HydrophobicContact CB-CD2 3.86Å; M315-Y336 HydrophobicContact CB-CG 3.81Å; M315-Y336 HydrophobicContact CE-CD1 4.2Å; M315-Y336 HydrophobicContact CE-CE1 4.03Å; M315-Y336 HydrophobicContact CE-CE2 4.45Å; M315-Y336 HydrophobicContact CE-CG 4.48Å; M315-Y336 HydrophobicContact CG-CD1 4.02Å; M315-Y336 HydrophobicContact CG-CD2 4.27Å; M315-Y336 HydrophobicContact CG-CG 3.75Å; M315-L353 HydrophobicContact CE-CD2 3.6Å |
| 316 | F | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.3 | 170.7 | -179.6 | -143.8 | 0 | 0 | 0 | 109.1 | L271 C291 A293 R300 L302 C307 A308 Y310 A328 R329 L330 | L271-F316 HydrophobicContact CD2-CD2 4.45Å; L271-F316 HydrophobicContact CD2-CE2 3.84Å; L271-F316 HydrophobicContact CD2-CZ 4.48Å; C291-F316 HydrophobicContact CB-CE2 4.17Å; C291-F316 HydrophobicContact CB-CZ 3.62Å; A293-F316 HydrophobicContact CB-CD1 3.91Å; A293-F316 HydrophobicContact CB-CD2 4.15Å; A293-F316 HydrophobicContact CB-CE1 3.74Å; A293-F316 HydrophobicContact CB-CE2 4.01Å; A293-F316 HydrophobicContact CB-CG 4.14Å; A293-F316 HydrophobicContact CB-CZ 3.8Å; R300-F316 HydrophobicContact CB-CD1 4.39Å; R300-F316 HydrophobicContact CG-CD1 4.26Å; L302-F316 HydrophobicContact CB-CD1 4.41Å; L302-F316 HydrophobicContact CB-CE1 4.05Å; L302-F316 HydrophobicContact CD1-CB 4.08Å; L302-F316 HydrophobicContact CD1-CD1 3.26Å; L302-F316 HydrophobicContact CD1-CD2 4.44Å; L302-F316 HydrophobicContact CD1-CE1 3.71Å; L302-F316 HydrophobicContact CD1-CG 3.68Å; L302-F316 HydrophobicContact CD1-CZ 4.44Å; L302-F316 WeakPolarHBondContact CD1-O 3.36Å; L302-F316 HydrophobicContact CG-CD1 3.6Å; L302-F316 HydrophobicContact CG-CE1 3.7Å; L302-F316 HydrophobicContact CG-CG 4.48Å; C307-F316 CarbonylContact C-O 3.55Å; C307-F316 WeakPolarHBondContact CA-O 3.24Å; C307-F316 VanDerWaalsContact CB-O 3.24Å; C307-F316 WeakPolarHBondContact CB-O 3.31Å; A308-F316 PolarHBondContact N-O 3.24Å; A308-F316 PolarHBondContact O-N 2.89Å; Y310-F316 HydrophobicContact CD2-CB 4.2Å; Y310-F316 HydrophobicContact CD2-CD1 4.41Å; F316-A328 HydrophobicContact CE2-CB 4.14Å; F316-R329 WeakPolarHBondContact CA-O 3.45Å; F316-R329 WeakPolarHBondContact CD2-O 3.24Å; F316-L330 HydrophobicContact CB-CD1 4.07Å |
| 317 | S | 92.5 | Very high | 89 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.2 | 176.7 | 67.1 | 0 | 0 | 0 | 0 | 112 | A328 R329 | S317-A328 CarbonylContact O-C 3.46Å; S317-A328 WeakPolarHBondContact O-CA 3.23Å; S317-R329 PolarHBondContact N-O 3.47Å; S317-R329 PolarHBondContact O-N 3.29Å |
| 318 | C | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 98 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | C291 L302 G305 Q306 | C291-C318 HydrophobicContact CB-CB 3.48Å; C291-C318 VanDerWaalsContact CB-CB 3.48Å; C291-C318 WeakPolarHBondContact CB-SG 3.48Å; C291-C318 PolarHBondContact N-SG 2.89Å; C291-C318 VanDerWaalsContact SG-CA 3.51Å; C291-C318 WeakPolarHBondContact SG-CB 3.26Å; C291-C318 CovalentContact SG-SG 2.02Å; C291-C318 PolarHBondContact SG-SG 2.81Å; L302-C318 HydrophobicContact CB-CB 4.02Å; G305-C318 WeakPolarHBondContact CA-O 3.47Å; G305-C318 PolarHBondContact N-O 3.35Å; Q306-C318 PolarHBondContact N-O 2.89Å; Q306-C318 PolarHBondContact O-N 3.06Å |
| 319 | Q | 91.2 | Very high | 89.2 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.5 | -170.3 | -67.5 | -177.4 | -10.1 | 0 | 0 | 112 | V326 I327 C351 | Q319-V326 CarbonylContact O-C 3.58Å; Q319-V326 WeakPolarHBondContact O-CA 3.45Å; Q319-I327 PolarHBondContact N-O 3.24Å; Q319-I327 PolarHBondContact O-N 3.26Å; Q319-C351 VanDerWaalsContact NE2-CB 3.32Å; Q319-C351 PolarHBondContact NE2-SG 2.86Å |
| 320 | R | 90.5 | Very high | 89.3 | Confident | 114 Ų | 114 | 55.3 Ų | 55.3 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.2 | 168.5 | -68.9 | -178.6 | -170.8 | -88.5 | 3.8 | 109.1 | E287 V304 G324 K325 V326 | E287-R320 IonicContact OE1-NH2 2.76Å; E287-R320 PolarHBondContact OE1-NH2 3.22Å; E287-R320 VanDerWaalsContact OE1-NH2 3.07Å; V304-R320 HydrophobicContact CG1-CG 4.05Å; R320-G324 PolarHBondContact NH1-O 3.29Å; R320-G324 VanDerWaalsContact NH1-O 3.14Å; R320-K325 CarbonylContact C-O 3.42Å; R320-K325 VanDerWaalsContact CA-O 3.32Å; R320-K325 WeakPolarHBondContact CA-O 3.41Å; R320-V326 HydrophobicContact CG-CG2 3.84Å |
| 321 | D | 87.3 | Confident | 89.6 | Confident | 51 Ų | 51 | 56 Ų | 56 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | trans | -76.6 | 179 | 170.3 | 69.8 | 15 | 0 | 0 | 0 | 111.5 | S323 G324 K325 I327 | D321-S323 VanDerWaalsContact CG-OG 3.27Å; D321-S323 PolarHBondContact O-N 2.86Å; D321-S323 VanDerWaalsContact O-N 3.13Å; D321-S323 VanDerWaalsContact OD1-CA 3.29Å; D321-S323 WeakPolarHBondContact OD1-CA 3.46Å; D321-S323 WeakPolarHBondContact OD1-CB 3.11Å; D321-S323 PolarHBondContact OD1-N 3.48Å; D321-S323 PolarHBondContact OD1-OG 2.94Å; D321-S323 PolarHBondContact OD2-OG 3.47Å; D321-G324 PolarHBondContact O-N 3.2Å; D321-G324 PolarHBondContact OD1-N 3.37Å; D321-G324 VanDerWaalsContact OD1-N 3.08Å; D321-K325 PolarHBondContact N-O 2.98Å; D321-K325 PolarHBondContact OD1-N 2.95Å; D321-I327 HydrophobicContact CB-CD1 3.81Å; D321-I327 HydrophobicContact CB-CG1 4.41Å; D321-I327 WeakPolarHBondContact OD2-CD1 3.35Å | ||
| 322 | A | 84.7 | Confident | 90 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 94% | 0.942 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G324 | A322-G324 VanDerWaalsContact C-N 3.35Š|
| 323 | S | 87.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 67% | 0.671 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.4 | 174.7 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | D321 K325 | D321-S323 VanDerWaalsContact CG-OG 3.27Å; D321-S323 PolarHBondContact O-N 2.86Å; D321-S323 VanDerWaalsContact O-N 3.13Å; D321-S323 VanDerWaalsContact OD1-CA 3.29Å; D321-S323 WeakPolarHBondContact OD1-CA 3.46Å; D321-S323 WeakPolarHBondContact OD1-CB 3.11Å; D321-S323 PolarHBondContact OD1-N 3.48Å; D321-S323 PolarHBondContact OD1-OG 2.94Å; D321-S323 PolarHBondContact OD2-OG 3.47Å; S323-K325 VanDerWaalsContact C-N 3.32Å |
| 324 | G | 86.6 | Confident | 89.8 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 84.6 | -0.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R320 D321 A322 | R320-G324 PolarHBondContact NH1-O 3.29Å; R320-G324 VanDerWaalsContact NH1-O 3.14Å; D321-G324 PolarHBondContact O-N 3.2Å; D321-G324 PolarHBondContact OD1-N 3.37Å; D321-G324 VanDerWaalsContact OD1-N 3.08Å; A322-G324 VanDerWaalsContact C-N 3.35Å |
| 325 | K | 91 | Very high | 89.7 | Confident | 141 Ų | 141 | 56.3 Ų | 56.3 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | trans | -75.9 | 131.4 | 179.3 | -177.5 | -177.9 | 179.7 | -179.9 | 0 | 109.9 | R320 D321 S323 | R320-K325 CarbonylContact C-O 3.42Å; R320-K325 VanDerWaalsContact CA-O 3.32Å; R320-K325 WeakPolarHBondContact CA-O 3.41Å; D321-K325 PolarHBondContact N-O 2.98Å; D321-K325 PolarHBondContact OD1-N 2.95Å; S323-K325 VanDerWaalsContact C-N 3.32Å | ||
| 326 | V | 92.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.5 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | Y273 I288 V304 Q319 R320 | Y273-V326 HydrophobicContact CE1-CG1 4.47Å; I288-V326 HydrophobicContact CB-CB 4.15Å; I288-V326 HydrophobicContact CB-CG1 4.37Å; I288-V326 HydrophobicContact CB-CG2 4.08Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.5Å; I288-V326 HydrophobicContact CG2-CB 4.05Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.3Å; V304-V326 HydrophobicContact CG1-CG1 4.36Å; V304-V326 HydrophobicContact CG1-CG2 3.96Å; V304-V326 HydrophobicContact CG2-CG1 3.85Å; V304-V326 HydrophobicContact CG2-CG2 4.02Å; Q319-V326 CarbonylContact O-C 3.58Å; Q319-V326 WeakPolarHBondContact O-CA 3.45Å; R320-V326 HydrophobicContact CG-CG2 3.84Å |
| 327 | I | 92.2 | Very high | 88.6 | Confident | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.7 | 177.4 | -55.2 | -175.3 | 0 | 0 | 0 | 108.7 | Q319 D321 R329 | Q319-I327 PolarHBondContact N-O 3.24Å; Q319-I327 PolarHBondContact O-N 3.26Å; D321-I327 HydrophobicContact CB-CD1 3.81Å; D321-I327 HydrophobicContact CB-CG1 4.41Å; D321-I327 WeakPolarHBondContact OD2-CD1 3.35Å; I327-R329 HydrophobicContact CG2-CG 3.84Å |
| 328 | A | 93.3 | Very high | 88 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | L271 Y273 C291 F316 S317 | L271-A328 HydrophobicContact CD1-CB 4.01Å; L271-A328 HydrophobicContact CD2-CB 4.27Å; Y273-A328 HydrophobicContact CE1-CB 3.7Å; Y273-A328 PolarHBondContact OH-N 2.89Å; C291-A328 HydrophobicContact CB-CB 3.78Å; F316-A328 HydrophobicContact CE2-CB 4.14Å; S317-A328 CarbonylContact O-C 3.46Å; S317-A328 WeakPolarHBondContact O-CA 3.23Å |
| 329 | R | 91.8 | Very high | 87 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.1 | 175.1 | -62.6 | -176.8 | 177.4 | 158.1 | 0 | 110.8 | F316 S317 I327 V331 | F316-R329 WeakPolarHBondContact CA-O 3.45Å; F316-R329 WeakPolarHBondContact CD2-O 3.24Å; S317-R329 PolarHBondContact N-O 3.47Å; S317-R329 PolarHBondContact O-N 3.29Å; I327-R329 HydrophobicContact CG2-CG 3.84Å; R329-V331 HydrophobicContact CB-CG1 4.48Å |
| 330 | L | 90.3 | Very high | 86 | Confident | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 111.1 | 167.7 | -173.1 | 80.6 | 0 | 0 | 0 | 107.1 | L295 Y310 R314 M315 F316 | L295-L330 HydrophobicContact CD1-CD1 4.14Å; L295-L330 HydrophobicContact CD1-CD2 3.36Å; L295-L330 HydrophobicContact CD1-CG 4.38Å; L295-L330 HydrophobicContact CD2-CD2 4.32Å; L295-L330 HydrophobicContact CG-CD2 4.4Å; Y310-L330 HydrophobicContact CG-CD1 4.22Å; R314-L330 HydrophobicContact CB-CD1 4.17Å; R314-L330 HydrophobicContact CB-CG 4.48Å; M315-L330 WeakPolarHBondContact O-CA 3.39Å; F316-L330 HydrophobicContact CB-CD1 4.07Å |
| 331 | V | 90.5 | Very high | 84.6 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 15% | 0.152 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 162.4 | -176 | -66.7 | 0 | 0 | 0 | 0 | 109.2 | R314 M315 R329 E335 Y336 L339 | R314-V331 CarbonylContact C-O 3.24Å; R314-V331 VanDerWaalsContact CA-O 3.24Å; R314-V331 WeakPolarHBondContact CA-O 3.18Å; R314-V331 WeakPolarHBondContact CB-O 3.24Å; M315-V331 HydrophobicContact CB-CG2 4.24Å; M315-V331 PolarHBondContact N-O 3.14Å; M315-V331 PolarHBondContact O-N 3.28Å; R329-V331 HydrophobicContact CB-CG1 4.48Å; V331-E335 HydrophobicContact CB-CB 4.07Å; V331-Y336 HydrophobicContact CG2-CD2 4.13Å; V331-Y336 HydrophobicContact CG2-CG 4.5Å; V331-L339 HydrophobicContact CG1-CD1 4.32Å |
| 332 | T | 90.1 | Very high | 83.1 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 156.2 | 171.1 | 66 | 0 | 0 | 0 | 0 | 110.6 | D313 Q334 E335 Y336 | D313-T332 CarbonylContact O-C 3.56Å; D313-T332 VanDerWaalsContact O-CA 3.23Å; D313-T332 WeakPolarHBondContact O-CA 3.15Å; T332-Q334 PolarHBondContact O-N 2.87Å; T332-E335 PolarHBondContact N-OE2 2.95Å; T332-E335 PolarHBondContact O-N 3.14Å; T332-E335 WeakPolarHBondContact OG1-CB 3.48Å; T332-E335 WeakPolarHBondContact OG1-CG 2.95Å; T332-E335 PolarHBondContact OG1-N 3.35Å; T332-E335 VanDerWaalsContact OG1-N 3.14Å; T332-E335 PolarHBondContact OG1-OE2 3.25Å; T332-Y336 WeakPolarHBondContact O-CB 2.78Å; T332-Y336 PolarHBondContact O-N 3.07Å |
| 333 | V | 84.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 82.3 Ų | 82.3 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.5 | -38.8 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | D313 M315 Y336 Y337 | D313-V333 PolarHBondContact O-N 3.26Å; M315-V333 HydrophobicContact CG-CB 4.46Å; M315-V333 HydrophobicContact CG-CG2 3.94Å; M315-V333 HydrophobicContact SD-CG2 4.46Å; V333-Y336 WeakPolarHBondContact O-CB 3.19Å; V333-Y336 PolarHBondContact O-N 3.3Å; V333-Y337 HydrophobicContact CG1-CD2 3.88Å; V333-Y337 HydrophobicContact CG1-CE2 3.53Å; V333-Y337 WeakPolarHBondContact O-CD2 3.47Å; V333-Y337 PolarHBondContact O-N 2.59Å |
| 334 | Q | 83.5 | Confident | 79.1 | Confident | 167 Ų | 167 | 83.8 Ų | 83.8 | 78% | 0.78 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65 | -48.3 | 177.4 | -66.8 | 178.6 | -7.8 | 0 | 0 | 112.1 | T332 Y336 Y337 H338 | T332-Q334 PolarHBondContact O-N 2.87Å; Q334-Y336 VanDerWaalsContact C-N 3.28Å; Q334-Y336 PolarHBondContact O-N 3.06Å; Q334-Y337 PolarHBondContact O-N 3.42Å; Q334-H338 PolarHBondContact O-N 2.9Å |
| 335 | E | 86.6 | Confident | 77 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 175.4 | -76.1 | 168.5 | 162.6 | 0 | 0 | 111.7 | V331 T332 Y337 H338 L339 | V331-E335 HydrophobicContact CB-CB 4.07Å; T332-E335 PolarHBondContact N-OE2 2.95Å; T332-E335 PolarHBondContact O-N 3.14Å; T332-E335 WeakPolarHBondContact OG1-CB 3.48Å; T332-E335 WeakPolarHBondContact OG1-CG 2.95Å; T332-E335 PolarHBondContact OG1-N 3.35Å; T332-E335 VanDerWaalsContact OG1-N 3.14Å; T332-E335 PolarHBondContact OG1-OE2 3.25Å; E335-Y337 PolarHBondContact O-N 2.82Å; E335-H338 WeakPolarHBondContact O-CB 3.11Å; E335-H338 PolarHBondContact O-N 2.79Å; E335-L339 VanDerWaalsContact O-CG 3.31Å; E335-L339 WeakPolarHBondContact O-CG 3.28Å; E335-L339 PolarHBondContact O-N 2.9Å |
| 336 | Y | 82.2 | Confident | 74.6 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 6% | 0.059 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 178.2 | -176.8 | -97.6 | 0 | 0 | 0 | 112.2 | C307 M315 V331 T332 V333 Q334 H338 L339 Q340 C351 | C307-Y336 PolarHBondContact SG-OH 2.91Å; C307-Y336 VanDerWaalsContact SG-OH 3.34Å; M315-Y336 HydrophobicContact CB-CD2 3.86Å; M315-Y336 HydrophobicContact CB-CG 3.81Å; M315-Y336 HydrophobicContact CE-CD1 4.2Å; M315-Y336 HydrophobicContact CE-CE1 4.03Å; M315-Y336 HydrophobicContact CE-CE2 4.45Å; M315-Y336 HydrophobicContact CE-CG 4.48Å; M315-Y336 HydrophobicContact CG-CD1 4.02Å; M315-Y336 HydrophobicContact CG-CD2 4.27Å; M315-Y336 HydrophobicContact CG-CG 3.75Å; V331-Y336 HydrophobicContact CG2-CD2 4.13Å; V331-Y336 HydrophobicContact CG2-CG 4.5Å; T332-Y336 WeakPolarHBondContact O-CB 2.78Å; T332-Y336 PolarHBondContact O-N 3.07Å; V333-Y336 WeakPolarHBondContact O-CB 3.19Å; V333-Y336 PolarHBondContact O-N 3.3Å; Q334-Y336 VanDerWaalsContact C-N 3.28Å; Q334-Y336 PolarHBondContact O-N 3.06Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 3.38Å; Y336-L339 PolarHBondContact O-N 3.19Å; Y336-Q340 HydrophobicContact CD1-CG 4.37Å; Y336-Q340 VanDerWaalsContact CE1-CD 3.45Å; Y336-Q340 HydrophobicContact CE1-CG 3.87Å; Y336-Q340 PolarHBondContact O-N 3.16Å; Y336-Q340 PolarHBondContact OH-NE2 3.47Å; Y336-C351 WeakPolarHBondContact OH-CB 3.06Å |
| 337 | Y | 78.2 | Confident | 72 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.3 | -76.7 | -63.5 | 0 | 0 | 0 | 112.3 | V333 Q334 E335 R341 | V333-Y337 HydrophobicContact CG1-CD2 3.88Å; V333-Y337 HydrophobicContact CG1-CE2 3.53Å; V333-Y337 WeakPolarHBondContact O-CD2 3.47Å; V333-Y337 PolarHBondContact O-N 2.59Å; Q334-Y337 PolarHBondContact O-N 3.42Å; E335-Y337 PolarHBondContact O-N 2.82Å; Y337-R341 PolarHBondContact O-N 3.39Å; Y337-R341 VanDerWaalsContact O-N 3.17Å |
| 338 | H | 79.1 | Confident | 69.6 | Low | 136 Ų | 136 | 98.1 Ų | 98.1 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 173.6 | -168.1 | -56.6 | 0 | 0 | 0 | 111.2 | Q334 E335 Y336 R341 T342 | Q334-H338 PolarHBondContact O-N 2.9Å; E335-H338 WeakPolarHBondContact O-CB 3.11Å; E335-H338 PolarHBondContact O-N 2.79Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 3.38Å; H338-R341 PolarHBondContact O-N 2.91Å; H338-T342 PolarHBondContact O-N 3.29Å; H338-T342 PolarHBondContact O-OG1 2.91Å |
| 339 | L | 74.1 | Confident | 67.6 | Low | 59 Ų | 59 | 101.1 Ų | 101.1 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.9 | -71.7 | 168.1 | 0 | 0 | 0 | 110.8 | V331 E335 Y336 R341 T342 F343 | V331-L339 HydrophobicContact CG1-CD1 4.32Å; E335-L339 VanDerWaalsContact O-CG 3.31Å; E335-L339 WeakPolarHBondContact O-CG 3.28Å; E335-L339 PolarHBondContact O-N 2.9Å; Y336-L339 PolarHBondContact O-N 3.19Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2Å; L339-T342 PolarHBondContact O-N 3.34Å; L339-F343 HydrophobicContact CD2-CE2 4.34Å; L339-F343 WeakPolarHBondContact O-CD2 3.09Å; L339-F343 PolarHBondContact O-N 3.08Å |
| 340 | Q | 70.2 | Confident | 65.8 | Low | 81 Ų | 81 | 102.1 Ų | 102.1 | 38% | 0.379 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.5 | -36.7 | 178.6 | -78.7 | -159.6 | -28.2 | 0 | 0 | 113.3 | Y336 T342 F343 | Y336-Q340 HydrophobicContact CD1-CG 4.37Å; Y336-Q340 VanDerWaalsContact CE1-CD 3.45Å; Y336-Q340 HydrophobicContact CE1-CG 3.87Å; Y336-Q340 PolarHBondContact O-N 3.16Å; Y336-Q340 PolarHBondContact OH-NE2 3.47Å; Q340-T342 PolarHBondContact O-N 3.17Å; Q340-F343 PolarHBondContact O-N 3.09Å |
| 341 | R | 59.8 | Low | 64.6 | Low | 215 Ų | 215 | 100.5 Ų | 100.5 | 81% | 0.811 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -24.2 | 176.1 | -77.4 | -176.4 | 178.6 | -179.2 | 0.5 | 113.5 | Y337 H338 L339 T344 | Y337-R341 PolarHBondContact O-N 3.39Å; Y337-R341 VanDerWaalsContact O-N 3.17Å; H338-R341 PolarHBondContact O-N 2.91Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2Å; R341-T344 PolarHBondContact O-OG1 3.12Å |
| 342 | T | 56.1 | Low | 63.2 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.8 | -19.3 | 177.3 | -27.8 | 0 | 0 | 0 | 0 | 112.4 | H338 L339 Q340 | H338-T342 PolarHBondContact O-N 3.29Å; H338-T342 PolarHBondContact O-OG1 2.91Å; L339-T342 PolarHBondContact O-N 3.34Å; Q340-T342 PolarHBondContact O-N 3.17Å |
| 343 | F | 49.2 | Very low | 61.9 | Low | 139 Ų | 139 | 112.1 Ų | 112.1 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | trans | -103.5 | 63.1 | -179.6 | -69.7 | -75.1 | 0 | 0 | 0 | 112 | L339 Q340 | L339-F343 HydrophobicContact CD2-CE2 4.34Å; L339-F343 WeakPolarHBondContact O-CD2 3.09Å; L339-F343 PolarHBondContact O-N 3.08Å; Q340-F343 PolarHBondContact O-N 3.09Å | ||
| 344 | T | 40.5 | Very low | 60.7 | Low | 128 Ų | 128 | 113.1 Ų | 113.1 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | trans | -107.5 | 9.3 | 175.8 | 23.5 | 0 | 0 | 0 | 0 | 114.7 | R341 | R341-T344 PolarHBondContact O-OG1 3.12Š| ||
| 345 | A | 40.6 | Very low | 59.1 | Low | 99 Ų | 99 | 117.4 Ų | 117.4 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -125.8 | 5.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 346 | V | 41.1 | Very low | 57.7 | Low | 130 Ų | 130 | 118.3 Ų | 118.3 | 79% | 0.788 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -125.8 | 118.6 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 347 | Q | 39.2 | Very low | 56.4 | Low | 181 Ų | 181 | 123.7 Ų | 123.7 | 85% | 0.846 | 64% | 0.639 | S | S | * | * | trans | -47.7 | 140.6 | -178 | -74.6 | 169.7 | -32.1 | 0 | 0 | 112.8 | ||||
| 348 | S | 40.4 | Very low | 55.2 | Low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 81.2 | 35.3 | 148 | 82.9 | 0 | 0 | 0 | 0 | 122 | ||
| 349 | S | 51 | Low | 53.8 | Low | 71 Ų | 71 | 122 Ų | 122 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | trans | -146.1 | 61.9 | 154.6 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | C351 | S349-C351 PolarHBondContact O-N 3.38Å; S349-C351 VanDerWaalsContact O-N 3.14Å | ||
| 350 | S | 55.8 | Low | 52.6 | Low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | -55.2 | 118.8 | 157.8 | 167.5 | 0 | 0 | 0 | 0 | 107.8 | R352 | S350-R352 PolarHBondContact O-N 3.16Å; S350-R352 VanDerWaalsContact O-N 3.12Å | ||
| 351 | C | 63.8 | Low | 51.4 | Low | 10 Ų | 10 | 128.9 Ų | 128.9 | 7% | 0.068 | 69% | 0.685 | C | S | . | * | trans | -67.7 | 113.2 | -176.8 | -162.3 | 0 | 0 | 0 | 0 | 109.9 | Q306 C307 Q319 Y336 S349 L353 | Q306-C351 VanDerWaalsContact C-SG 3.51Å; C307-C351 VanDerWaalsContact CA-SG 3.51Å; C307-C351 HydrophobicContact CB-CB 4.25Å; C307-C351 WeakPolarHBondContact CB-SG 3.43Å; C307-C351 PolarHBondContact N-SG 3.41Å; C307-C351 WeakPolarHBondContact SG-CB 3.4Å; C307-C351 CovalentContact SG-SG 2Å; C307-C351 PolarHBondContact SG-SG 2.84Å; Q319-C351 VanDerWaalsContact NE2-CB 3.32Å; Q319-C351 PolarHBondContact NE2-SG 2.86Å; Y336-C351 WeakPolarHBondContact OH-CB 3.06Å; S349-C351 PolarHBondContact O-N 3.38Å; S349-C351 VanDerWaalsContact O-N 3.14Å; C351-L353 PolarHBondContact O-N 3.23Å; C351-L353 VanDerWaalsContact O-N 3.09Å | ||
| 352 | R | 61.4 | Low | 50.8 | Low | 200 Ų | 200 | 122.8 Ų | 122.8 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.4 | 108.4 | 174.5 | -70.1 | -173.3 | -174.2 | -175.2 | 2.2 | 108.1 | C307 S350 V354 | C307-R352 PolarHBondContact N-O 3.25Å; S350-R352 PolarHBondContact O-N 3.16Å; S350-R352 VanDerWaalsContact O-N 3.12Å; R352-V354 PolarHBondContact O-N 3.2Å; R352-V354 VanDerWaalsContact O-N 3.16Å |
| 353 | L | 62 | Low | 50.4 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.7 | 112.9 | 170.8 | -71.9 | 169.1 | 0 | 0 | 0 | 108.2 | M315 C351 | M315-L353 HydrophobicContact CE-CD2 3.6Å; C351-L353 PolarHBondContact O-N 3.23Å; C351-L353 VanDerWaalsContact O-N 3.09Å |
| 354 | V | 60.3 | Low | 50.5 | Low | 58 Ų | 58 | 123.5 Ų | 123.5 | 35% | 0.352 | 69% | 0.688 | S | S | . | * | trans | -83.9 | 121.3 | 167.1 | -176.1 | 0 | 0 | 0 | 0 | 106.8 | Q306 C307 R352 | Q306-V354 HydrophobicContact CB-CG2 4.21Å; Q306-V354 HydrophobicContact CG-CG2 4.19Å; C307-V354 PolarHBondContact O-N 2.8Å; C307-V354 VanDerWaalsContact O-N 3.08Å; R352-V354 PolarHBondContact O-N 3.2Å; R352-V354 VanDerWaalsContact O-N 3.16Å | ||
| 355 | K | 49.7 | Very low | 51.4 | Low | 258 Ų | 258 | 123.1 Ų | 123.1 | 100% | 1.122 | 68% | 0.679 | S | S | * | * | trans | -61.3 | 0 | 175.8 | -78.4 | -172.7 | 175.5 | -178.2 | 0 | 111.5 |
Retrieved 355 of 355 residues in 442.7 ms
(Link to these results)