| 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 | 37.4 | Very low | 37.4 | Very low | 242 Ų | 242 | 156.7 Ų | 156.7 | 100% | 1.192 | 82% | 0.815 | S | S | * | * | 0 | 98.3 | 0 | -76.1 | -175.6 | 59.6 | 0 | 0 | 108.6 | |||||
| 2 | L | 33.4 | Very low | 37.5 | Very low | 175 Ų | 175 | 158.9 Ų | 158.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -114.8 | 113.5 | 168.6 | -98.3 | 105.2 | 0 | 0 | 0 | 107 | ||||
| 3 | G | 35.4 | Very low | 37.5 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -85 | 121.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | I | 36.3 | Very low | 37.9 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | trans | -91.4 | 113.9 | 170.5 | -62.3 | 172.4 | 0 | 0 | 0 | 107 | I6 | I4-I6 HydrophobicContact CG2-CG1 4.07Š| ||
| 5 | W | 34.7 | Very low | 38.6 | Very low | 242 Ų | 242 | 148.1 Ų | 148.1 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -88.6 | 111.5 | 167.1 | -78.9 | 89 | 0 | 0 | 0 | 108.8 | ||||
| 6 | I | 40.4 | Very low | 39.8 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -88.9 | 107.6 | 167.3 | -62.7 | 176.4 | 0 | 0 | 0 | 107 | I4 A8 | I4-I6 HydrophobicContact CG2-CG1 4.07Å; I6-A8 PolarHBondContact O-N 3.17Å | ||
| 7 | V | 41.6 | Very low | 41.3 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 103.3 | 166.1 | 177.5 | 0 | 0 | 0 | 0 | 107.3 | F9 | V7-F9 HydrophobicContact CG1-CD2 4Å; V7-F9 HydrophobicContact CG1-CE2 4.07Å; V7-F9 PolarHBondContact O-N 3.49Å | ||
| 8 | A | 38.4 | Very low | 43.6 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 103.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I6 L10 | I6-A8 PolarHBondContact O-N 3.17Å; A8-L10 PolarHBondContact O-N 3.09Å; A8-L10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | F | 38.5 | Very low | 46 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 101.1 | 164.9 | -95 | -89.5 | 0 | 0 | 0 | 108.9 | V7 F11 | V7-F9 HydrophobicContact CG1-CD2 4Å; V7-F9 HydrophobicContact CG1-CE2 4.07Å; V7-F9 PolarHBondContact O-N 3.49Å; F9-F11 PolarHBondContact O-N 3.27Å | ||
| 10 | L | 39.1 | Very low | 48.4 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -70.8 | 94.1 | 163.5 | -81.4 | 162.5 | 0 | 0 | 0 | 108.3 | A8 F12 | A8-L10 PolarHBondContact O-N 3.09Å; A8-L10 VanDerWaalsContact O-N 3.12Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 HydrophobicContact CB-CD2 4.42Å; L10-F12 HydrophobicContact CB-CE2 4.38Å; L10-F12 PolarHBondContact O-N 2.03Å | ||
| 11 | F | 36.1 | Very low | 50.7 | Low | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | trans | -65.3 | 95.4 | 160.3 | -88.1 | -88 | 0 | 0 | 0 | 108.3 | F9 G13 | F9-F11 PolarHBondContact O-N 3.27Å; F11-G13 PolarHBondContact O-N 3.28Å | ||
| 12 | F | 38.9 | Very low | 53.4 | Low | 183 Ų | 183 | 125.6 Ų | 125.6 | 80% | 0.803 | 67% | 0.668 | S | S | * | * | trans | -70 | 76.7 | 155.4 | -81.4 | -84.3 | 0 | 0 | 0 | 107.9 | L10 T14 | L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 HydrophobicContact CB-CD2 4.42Å; L10-F12 HydrophobicContact CB-CE2 4.38Å; L10-F12 PolarHBondContact O-N 2.03Å; F12-T14 PolarHBondContact O-N 2.8Å | ||
| 13 | G | 37 | Very low | 56.1 | Low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 67% | 0.672 | S | S | * | * | trans | -65.2 | 99.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108 | F11 S15 | F11-G13 PolarHBondContact O-N 3.28Å; G13-S15 VanDerWaalsContact C-N 3.29Å; G13-S15 PolarHBondContact O-N 2.92Å | ||
| 14 | T | 43.6 | Very low | 58.8 | Low | 130 Ų | 130 | 128.4 Ų | 128.4 | 80% | 0.798 | 65% | 0.653 | S | S | * | * | trans | -65.3 | 95.2 | 165.1 | 53.4 | 0 | 0 | 0 | 0 | 107.2 | F12 R16 | F12-T14 PolarHBondContact O-N 2.8Å; T14-R16 PolarHBondContact O-N 3.18Å | ||
| 15 | S | 47.7 | Very low | 61.7 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 83% | 0.825 | 62% | 0.619 | S | S | * | * | trans | -56.8 | 103.3 | 166.3 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | G13 G17 | G13-S15 VanDerWaalsContact C-N 3.29Å; G13-S15 PolarHBondContact O-N 2.92Å; S15-G17 PolarHBondContact O-N 3.11Å | ||
| 16 | R | 57.8 | Low | 64.6 | Low | 241 Ų | 241 | 112 Ų | 112 | 91% | 0.909 | 59% | 0.593 | S | S | * | * | trans | -79.1 | 104.7 | 177.3 | -153.5 | 172.2 | -174.7 | 167 | -0.1 | 105.5 | T14 | T14-R16 PolarHBondContact O-N 3.18Š| ||
| 17 | G | 65.4 | Low | 67.1 | Low | 30 Ų | 30 | 108.2 Ų | 108.2 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | trans | -52.2 | 151.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S15 D30 | S15-G17 PolarHBondContact O-N 3.11Å; G17-D30 WeakPolarHBondContact CA-OD1 3.3Å | ||
| 18 | K | 82.9 | Confident | 69.5 | Low | 151 Ų | 151 | 103.1 Ų | 103.1 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | trans | -63.8 | 154.9 | 173.9 | -56.3 | 176.3 | 177.9 | 174.1 | 0 | 109.7 | K29 D30 L45 | K18-K29 CarbonylContact O-C 3.59Å; K18-K29 VanDerWaalsContact O-CA 3.32Å; K18-K29 WeakPolarHBondContact O-CA 3.43Å; K18-D30 WeakPolarHBondContact CB-OD2 3.27Å; K18-D30 PolarHBondContact N-OD1 3.03Å; K18-D30 PolarHBondContact O-N 2.82Å; K18-L45 HydrophobicContact CB-CD1 3.96Å | ||
| 19 | E | 90.2 | Very high | 71.8 | Confident | 96 Ų | 96 | 105 Ų | 105 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143 | -178.1 | -176.5 | 169.6 | -120.5 | 0 | 0 | 110 | C27 F28 K29 | E19-C27 HydrophobicContact CG-CB 3.79Å; E19-C27 VanDerWaalsContact OE1-CB 3.23Å; E19-C27 WeakPolarHBondContact OE1-CB 3.45Å; E19-F28 WeakPolarHBondContact CA-O 3.08Å; E19-K29 HydrophobicContact CB-CG 4.1Å; E19-K29 HydrophobicContact CG-CG 3.97Å; E19-K29 WeakPolarHBondContact OE1-CE 3.07Å; E19-K29 WeakPolarHBondContact OE1-CG 3.48Å; E19-K29 IonicContact OE1-NZ 3.84Å |
| 20 | V | 93.6 | Very high | 73.8 | Confident | 36 Ų | 36 | 98.5 Ų | 98.5 | 22% | 0.218 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.9 | 167.3 | 66.4 | 0 | 0 | 0 | 0 | 109.1 | Y22 C27 F28 L45 P46 | V20-Y22 HydrophobicContact CG1-CE2 4.05Å; V20-Y22 HydrophobicContact CG2-CE1 3.79Å; V20-Y22 HydrophobicContact CG2-CE2 4.32Å; V20-Y22 WeakPolarHBondContact CG2-OH 3.28Å; V20-C27 CarbonylContact O-C 3.55Å; V20-C27 WeakPolarHBondContact O-CA 3.46Å; V20-F28 HydrophobicContact CG1-CB 3.98Å; V20-F28 PolarHBondContact N-O 2.85Å; V20-F28 PolarHBondContact O-N 3.13Å; V20-L45 HydrophobicContact CB-CD1 4.3Å; V20-L45 HydrophobicContact CG1-CB 4.2Å; V20-L45 HydrophobicContact CG1-CD2 4.17Å; V20-P46 HydrophobicContact CG1-CG 4.21Å |
| 21 | C | 95.8 | Very high | 75.2 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 46% | 0.459 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.2 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | G26 C27 | C21-G26 WeakPolarHBondContact CA-O 3.35Å; C21-C27 HydrophobicContact CB-CB 4.06Å; C21-C27 WeakPolarHBondContact CB-SG 3.11Å; C21-C27 WeakPolarHBondContact SG-CB 3.15Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 3.3Å |
| 22 | Y | 95.6 | Very high | 76.6 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 14% | 0.141 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.5 | 172.5 | -52.6 | -62.6 | 0 | 0 | 0 | 108.3 | V20 R24 L25 G26 F28 P46 W47 S48 P49 V139 | V20-Y22 HydrophobicContact CG1-CE2 4.05Å; V20-Y22 HydrophobicContact CG2-CE1 3.79Å; V20-Y22 HydrophobicContact CG2-CE2 4.32Å; V20-Y22 WeakPolarHBondContact CG2-OH 3.28Å; Y22-R24 VanDerWaalsContact C-N 3.29Å; Y22-R24 PolarHBondContact O-N 2.8Å; Y22-R24 VanDerWaalsContact O-N 3.08Å; Y22-L25 PolarHBondContact O-N 2.93Å; Y22-G26 PolarHBondContact N-O 3.43Å; Y22-G26 PolarHBondContact O-N 2.93Å; Y22-F28 AromaticContact CD2-CD2 3.84Å; Y22-F28 HydrophobicContact CD2-CD2 3.84Å; Y22-F28 AromaticContact CD2-CE2 3.7Å; Y22-F28 HydrophobicContact CD2-CE2 3.7Å; Y22-F28 AromaticContact CE2-CD2 3.97Å; Y22-F28 HydrophobicContact CE2-CD2 3.97Å; Y22-F28 HydrophobicContact CE2-CE2 4.2Å; Y22-P46 PolarHBondContact OH-O 2.86Å; Y22-W47 VanDerWaalsContact OH-C 3.27Å; Y22-W47 PolarHBondContact OH-O 2.77Å; Y22-S48 VanDerWaalsContact CZ-CA 3.49Å; Y22-S48 WeakPolarHBondContact OH-CA 3.47Å; Y22-S48 PolarHBondContact OH-N 2.81Å; Y22-P49 HydrophobicContact CD1-CG 4.34Å; Y22-P49 HydrophobicContact CD2-CG 4.19Å; Y22-P49 HydrophobicContact CG-CG 3.96Å; Y22-V139 HydrophobicContact CD2-CG2 4.09Å; Y22-V139 HydrophobicContact CE2-CG2 3.66Å |
| 23 | E | 89.6 | Confident | 78.1 | Confident | 214 Ų | 214 | 81.7 Ų | 81.7 | 100% | 1 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -47.3 | -166.4 | -172.5 | 179.6 | 175.8 | 0 | 0 | 113.8 | ||
| 24 | R | 92.6 | Very high | 79.5 | Confident | 92 Ų | 92 | 81.1 Ų | 81.1 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -14.4 | -179.3 | 68.1 | 170.8 | 178.5 | -98.2 | 1.3 | 115.5 | Y22 V73 E143 Y146 | Y22-R24 VanDerWaalsContact C-N 3.29Å; Y22-R24 PolarHBondContact O-N 2.8Å; Y22-R24 VanDerWaalsContact O-N 3.08Å; R24-V73 VanDerWaalsContact CZ-CG2 3.45Å; R24-E143 IonicContact CZ-OE1 3.75Å; R24-E143 IonicContact CZ-OE2 2.71Å; R24-E143 IonicContact NE-OE1 3.09Å; R24-E143 PolarHBondContact NE-OE1 3.03Å; R24-E143 IonicContact NE-OE2 2.93Å; R24-E143 PolarHBondContact NE-OE2 3.45Å; R24-E143 IonicContact NH2-OE1 3.86Å; R24-E143 PolarHBondContact NH2-OE1 2.76Å; R24-E143 IonicContact NH2-OE2 3.4Å; R24-Y146 HydrophobicContact CB-CD2 4.43Å; R24-Y146 HydrophobicContact CB-CE2 4.15Å |
| 25 | L | 95.9 | Very high | 80.3 | Confident | 14 Ų | 14 | 76.9 Ų | 76.9 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -9.3 | -171.1 | -52.3 | -176.2 | 0 | 0 | 0 | 113.8 | Y22 F28 P49 V139 A142 E143 | Y22-L25 PolarHBondContact O-N 2.93Å; L25-F28 HydrophobicContact CB-CE2 4.02Å; L25-F28 HydrophobicContact CB-CZ 4.18Å; L25-P49 HydrophobicContact CD1-CB 4.46Å; L25-P49 HydrophobicContact CD1-CG 3.53Å; L25-P49 HydrophobicContact CG-CG 4.49Å; L25-V139 HydrophobicContact CD1-CG1 3.8Å; L25-A142 HydrophobicContact CB-CB 4Å; L25-A142 HydrophobicContact CD1-CB 4.34Å; L25-A142 HydrophobicContact CD2-CB 4.11Å; L25-A142 HydrophobicContact CG-CB 4.38Å; L25-E143 HydrophobicContact CD1-CG 3.87Å; L25-E143 HydrophobicContact CD2-CG 4.21Å |
| 26 | G | 95.1 | Very high | 80.4 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.7 | -156.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C21 Y22 | C21-G26 WeakPolarHBondContact CA-O 3.35Å; Y22-G26 PolarHBondContact N-O 3.43Å; Y22-G26 PolarHBondContact O-N 2.93Å |
| 27 | C | 94.4 | Very high | 80 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 45% | 0.446 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148.8 | -170.5 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | E19 V20 C21 | E19-C27 HydrophobicContact CG-CB 3.79Å; E19-C27 VanDerWaalsContact OE1-CB 3.23Å; E19-C27 WeakPolarHBondContact OE1-CB 3.45Å; V20-C27 CarbonylContact O-C 3.55Å; V20-C27 WeakPolarHBondContact O-CA 3.46Å; C21-C27 HydrophobicContact CB-CB 4.06Å; C21-C27 WeakPolarHBondContact CB-SG 3.11Å; C21-C27 WeakPolarHBondContact SG-CB 3.15Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 3.3Å |
| 28 | F | 91.6 | Very high | 78.9 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 2% | 0.022 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 117 | -172.7 | -65 | -84.9 | 0 | 0 | 0 | 109.3 | E19 V20 Y22 L25 L45 P46 R138 V139 A142 | E19-F28 WeakPolarHBondContact CA-O 3.08Å; V20-F28 HydrophobicContact CG1-CB 3.98Å; V20-F28 PolarHBondContact N-O 2.85Å; V20-F28 PolarHBondContact O-N 3.13Å; Y22-F28 AromaticContact CD2-CD2 3.84Å; Y22-F28 HydrophobicContact CD2-CD2 3.84Å; Y22-F28 AromaticContact CD2-CE2 3.7Å; Y22-F28 HydrophobicContact CD2-CE2 3.7Å; Y22-F28 AromaticContact CE2-CD2 3.97Å; Y22-F28 HydrophobicContact CE2-CD2 3.97Å; Y22-F28 HydrophobicContact CE2-CE2 4.2Å; L25-F28 HydrophobicContact CB-CE2 4.02Å; L25-F28 HydrophobicContact CB-CZ 4.18Å; F28-L45 VanDerWaalsContact O-CD2 3.31Å; F28-L45 WeakPolarHBondContact O-CD2 3.44Å; F28-P46 HydrophobicContact CB-CG 3.77Å; F28-P46 HydrophobicContact CD1-CG 4.23Å; F28-P46 HydrophobicContact CD2-CG 4.47Å; F28-P46 HydrophobicContact CG-CG 3.91Å; F28-R138 HydrophobicContact CD1-CB 3.68Å; F28-R138 HydrophobicContact CE1-CB 3.66Å; F28-R138 WeakPolarHBondContact CE1-O 3.19Å; F28-V139 HydrophobicContact CD1-CG2 4.41Å; F28-V139 HydrophobicContact CD2-CG2 4.17Å; F28-V139 HydrophobicContact CE1-CG2 4.13Å; F28-V139 HydrophobicContact CE2-CG2 3.9Å; F28-V139 HydrophobicContact CG-CG2 4.42Å; F28-V139 HydrophobicContact CZ-CG2 3.86Å; F28-A142 HydrophobicContact CE1-CB 4.42Å; F28-A142 HydrophobicContact CZ-CB 3.82Å |
| 29 | K | 87.3 | Confident | 77.3 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 53% | 0.526 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.5 | -177.9 | -62.1 | 179.8 | -177.3 | 174.2 | 0 | 111.8 | K18 E19 G31 R138 | K18-K29 CarbonylContact O-C 3.59Å; K18-K29 VanDerWaalsContact O-CA 3.32Å; K18-K29 WeakPolarHBondContact O-CA 3.43Å; E19-K29 HydrophobicContact CB-CG 4.1Å; E19-K29 HydrophobicContact CG-CG 3.97Å; E19-K29 WeakPolarHBondContact OE1-CE 3.07Å; E19-K29 WeakPolarHBondContact OE1-CG 3.48Å; E19-K29 IonicContact OE1-NZ 3.84Å; K29-G31 VanDerWaalsContact C-N 3.26Å; K29-R138 PolarHBondContact O-NH1 2.78Å; K29-R138 PolarHBondContact O-NH2 3.34Å |
| 30 | D | 78.8 | Confident | 75.2 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -91.2 | 22.6 | 170 | 67 | 5.9 | 0 | 0 | 0 | 112.6 | G17 K18 T35 L45 | G17-D30 WeakPolarHBondContact CA-OD1 3.3Å; K18-D30 WeakPolarHBondContact CB-OD2 3.27Å; K18-D30 PolarHBondContact N-OD1 3.03Å; K18-D30 PolarHBondContact O-N 2.82Å; D30-T35 WeakPolarHBondContact O-CG2 3.49Å; D30-L45 HydrophobicContact CB-CD2 4.03Å; D30-L45 HydrophobicContact CB-CG 4.4Å |
| 31 | G | 69.8 | Low | 73 | Confident | 20 Ų | 20 | 81 Ų | 81 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | trans | -96.7 | -173.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K29 W34 | K29-G31 VanDerWaalsContact C-N 3.26Å; G31-W34 WeakPolarHBondContact O-CB 3.33Å; G31-W34 VanDerWaalsContact O-CD1 3.3Å; G31-W34 PolarHBondContact O-N 3.47Å; G31-W34 VanDerWaalsContact O-N 3.11Å | ||
| 32 | L | 65 | Low | 71 | Confident | 107 Ų | 107 | 82 Ų | 82 | 56% | 0.56 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 145.6 | 174.4 | -62.3 | -179.1 | 0 | 0 | 0 | 112 | T35 R36 | L32-T35 PolarHBondContact N-OG1 3.04Å; L32-R36 HydrophobicContact CD2-CB 3.55Å; L32-R36 HydrophobicContact CD2-CG 3.41Å; L32-R36 VanDerWaalsContact CD2-CG 3.41Å |
| 33 | P | 69.6 | Low | 69.3 | Low | 34 Ų | 34 | 81.5 Ų | 81.5 | 22% | 0.221 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -81.3 | -3.5 | 1.3 | 31.6 | -34.4 | 0 | 0 | 0 | 115 | T35 R36 P201 E203 V204 | P33-T35 PolarHBondContact O-N 2.9Å; P33-T35 VanDerWaalsContact O-N 3.17Å; P33-R36 PolarHBondContact O-N 3.17Å; P33-P201 HydrophobicContact CB-CB 4.22Å; P33-P201 HydrophobicContact CB-CG 3.98Å; P33-E203 HydrophobicContact CG-CB 4.01Å; P33-V204 HydrophobicContact CB-CG2 3.85Å; P33-V204 HydrophobicContact CG-CG2 3.69Å |
| 34 | W | 67.4 | Low | 68.6 | Low | 55 Ų | 55 | 72.5 Ų | 72.5 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.1 | -172.2 | -47.6 | 100.2 | 0 | 0 | 0 | 113.8 | G31 V43 R138 E176 E203 V204 | G31-W34 WeakPolarHBondContact O-CB 3.33Å; G31-W34 VanDerWaalsContact O-CD1 3.3Å; G31-W34 PolarHBondContact O-N 3.47Å; G31-W34 VanDerWaalsContact O-N 3.11Å; W34-V43 HydrophobicContact CB-CG1 4.14Å; W34-V43 WeakPolarHBondContact O-CG1 3.47Å; W34-R138 VanDerWaalsContact CG-NH1 3.34Å; W34-R138 HydrophobicContact CH2-CG 4.19Å; W34-R138 HydrophobicContact CZ3-CG 4.17Å; W34-E176 WeakPolarHBondContact CH2-OE2 3.39Å; W34-E203 WeakPolarHBondContact CH2-O 3.35Å; W34-V204 HydrophobicContact CD2-CG2 4.17Å; W34-V204 HydrophobicContact CE3-CB 4.13Å; W34-V204 HydrophobicContact CE3-CG1 3.78Å; W34-V204 HydrophobicContact CE3-CG2 3.75Å; W34-V204 HydrophobicContact CH2-CB 4.48Å; W34-V204 HydrophobicContact CH2-CG2 4.32Å; W34-V204 HydrophobicContact CZ3-CB 3.86Å; W34-V204 HydrophobicContact CZ3-CG1 3.72Å; W34-V204 HydrophobicContact CZ3-CG2 3.84Å |
| 35 | T | 60.1 | Low | 68.4 | Low | 41 Ų | 41 | 70.8 Ų | 70.8 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 20.8 | -177.3 | 47.3 | 0 | 0 | 0 | 0 | 115.6 | D30 L32 P33 T40 | D30-T35 WeakPolarHBondContact O-CG2 3.49Å; L32-T35 PolarHBondContact N-OG1 3.04Å; P33-T35 PolarHBondContact O-N 2.9Å; P33-T35 VanDerWaalsContact O-N 3.17Å; T35-T40 WeakPolarHBondContact O-CB 3.28Å; T35-T40 WeakPolarHBondContact O-CG2 3.49Å |
| 36 | R | 49.8 | Very low | 68.2 | Low | 186 Ų | 186 | 70.4 Ų | 70.4 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | trans | -96.2 | -13.1 | -171.6 | -137.7 | 174.6 | -169 | -168.6 | -0.9 | 117.6 | L32 P33 | L32-R36 HydrophobicContact CD2-CB 3.55Å; L32-R36 HydrophobicContact CD2-CG 3.41Å; L32-R36 VanDerWaalsContact CD2-CG 3.41Å; P33-R36 PolarHBondContact O-N 3.17Å | ||
| 37 | T | 50.3 | Low | 68.3 | Low | 51 Ų | 51 | 71.3 Ų | 71.3 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -112.3 | 101.4 | -170.1 | 26.3 | 0 | 0 | 0 | 0 | 112.6 | S39 T40 T200 | T37-S39 PolarHBondContact O-N 2.86Å; T37-S39 PolarHBondContact O-OG 2.89Å; T37-T40 WeakPolarHBondContact O-CG2 3.44Å; T37-T200 HydrophobicContact CG2-CG2 4.33Å |
| 38 | F | 42.3 | Very low | 68.4 | Low | 222 Ų | 222 | 69.9 Ų | 69.9 | 97% | 0.974 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 25 | -0.8 | 165 | -73.9 | -79.9 | 0 | 0 | 0 | 122.9 | ||
| 39 | S | 47.7 | Very low | 68.6 | Low | 53 Ų | 53 | 69.9 Ų | 69.9 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | trans | -137.2 | 34.2 | -178.7 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | T37 E41 | T37-S39 PolarHBondContact O-N 2.86Å; T37-S39 PolarHBondContact O-OG 2.89Å; S39-E41 PolarHBondContact O-N 2.87Å | ||
| 40 | T | 46.7 | Very low | 69.1 | Low | 50 Ų | 50 | 70.2 Ų | 70.2 | 31% | 0.307 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.2 | -162.6 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | T35 T37 L42 | T35-T40 WeakPolarHBondContact O-CB 3.28Å; T35-T40 WeakPolarHBondContact O-CG2 3.49Å; T37-T40 WeakPolarHBondContact O-CG2 3.44Å; T40-L42 PolarHBondContact O-N 2.84Å |
| 41 | E | 47.4 | Very low | 69.9 | Low | 196 Ų | 196 | 74 Ų | 74 | 92% | 0.916 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.6 | 167.7 | -72.9 | 179.5 | 160.7 | 0 | 0 | 112.6 | S39 | S39-E41 PolarHBondContact O-N 2.87Š|
| 42 | L | 53 | Low | 71.3 | Confident | 88 Ų | 88 | 73 Ų | 73 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -111.1 | -8.7 | -174.9 | -61.2 | 173 | 0 | 0 | 0 | 114.5 | T40 I131 F196 | T40-L42 PolarHBondContact O-N 2.84Å; L42-I131 HydrophobicContact CB-CD1 4.26Å; L42-I131 HydrophobicContact CB-CG2 4.02Å; L42-I131 HydrophobicContact CD1-CD1 3.83Å; L42-I131 HydrophobicContact CD2-CD1 4.06Å; L42-I131 HydrophobicContact CG-CD1 4.26Å; L42-I131 WeakPolarHBondContact O-CG2 3.42Å; L42-F196 HydrophobicContact CB-CE1 4.45Å; L42-F196 HydrophobicContact CD1-CZ 4.38Å |
| 43 | V | 60 | Low | 72.8 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | trans | -89.4 | 117.7 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | W34 N135 F196 | W34-V43 HydrophobicContact CB-CG1 4.14Å; W34-V43 WeakPolarHBondContact O-CG1 3.47Å; V43-N135 WeakPolarHBondContact CG1-OD1 3.44Å; V43-F196 HydrophobicContact CG2-CD1 4.44Å | ||
| 44 | G | 76.4 | Confident | 74.1 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | trans | -128.1 | -171.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N135 | G44-N135 PolarHBondContact N-ND2 2.69Å; G44-N135 PolarHBondContact N-OD1 2.87Å; G44-N135 PolarHBondContact O-OD1 2.85Å | ||
| 45 | L | 88.3 | Confident | 75.6 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -70 | 138.9 | 173.1 | -64.7 | 174.7 | 0 | 0 | 0 | 110.4 | K18 V20 F28 D30 | K18-L45 HydrophobicContact CB-CD1 3.96Å; V20-L45 HydrophobicContact CB-CD1 4.3Å; V20-L45 HydrophobicContact CG1-CB 4.2Å; V20-L45 HydrophobicContact CG1-CD2 4.17Å; F28-L45 VanDerWaalsContact O-CD2 3.31Å; F28-L45 WeakPolarHBondContact O-CD2 3.44Å; D30-L45 HydrophobicContact CB-CD2 4.03Å; D30-L45 HydrophobicContact CB-CG 4.4Å |
| 46 | P | 92.3 | Very high | 77.4 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 159.6 | 175.3 | 29.3 | -36.4 | 0 | 0 | 0 | 110.5 | V20 Y22 F28 V139 | V20-P46 HydrophobicContact CG1-CG 4.21Å; Y22-P46 PolarHBondContact OH-O 2.86Å; F28-P46 HydrophobicContact CB-CG 3.77Å; F28-P46 HydrophobicContact CD1-CG 4.23Å; F28-P46 HydrophobicContact CD2-CG 4.47Å; F28-P46 HydrophobicContact CG-CG 3.91Å; P46-V139 HydrophobicContact CB-CB 4.35Å; P46-V139 HydrophobicContact CB-CG2 3.51Å; P46-V139 HydrophobicContact CG-CG2 3.54Å |
| 47 | W | 95.3 | Very high | 79.8 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 21% | 0.205 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 163.2 | 171.7 | -66.3 | -5.2 | 0 | 0 | 0 | 111.8 | Y22 K51 I52 N125 H132 N136 | Y22-W47 VanDerWaalsContact OH-C 3.27Å; Y22-W47 PolarHBondContact OH-O 2.77Å; W47-K51 HydrophobicContact CB-CB 4.36Å; W47-K51 HydrophobicContact CB-CD 4.09Å; W47-K51 HydrophobicContact CB-CG 4.42Å; W47-K51 HydrophobicContact CD2-CD 3.79Å; W47-K51 HydrophobicContact CD2-CG 4.3Å; W47-K51 HydrophobicContact CE3-CD 3.87Å; W47-K51 HydrophobicContact CE3-CG 3.91Å; W47-K51 HydrophobicContact CG-CD 3.9Å; W47-I52 HydrophobicContact CB-CD1 4.08Å; W47-I52 HydrophobicContact CB-CG1 3.84Å; W47-I52 HydrophobicContact CE3-CG1 4.49Å; W47-I52 WeakPolarHBondContact O-CD1 3.28Å; W47-N125 WeakPolarHBondContact CZ3-O 3.49Å; W47-H132 AromaticContact CE2-CG 3.87Å; W47-H132 AromaticContact CE2-ND1 3.99Å; W47-H132 HydrophobicContact CH2-CB 4.18Å; W47-H132 HydrophobicContact CZ2-CB 3.73Å; W47-H132 AromaticContact CZ2-CD2 3.52Å; W47-H132 AromaticContact CZ2-CG 3.46Å; W47-H132 VanDerWaalsContact CZ2-CG 3.46Å; W47-H132 AromaticContact CZ2-ND1 3.95Å; W47-H132 AromaticContact NE1-ND1 3.65Å; W47-N136 WeakPolarHBondContact CB-OD1 3.48Å; W47-N136 PolarHBondContact N-OD1 2.98Å |
| 48 | S | 96.9 | Very high | 82.1 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 153.6 | 176.5 | 85.6 | 0 | 0 | 0 | 0 | 112.1 | Y22 E50 K51 I52 | Y22-S48 VanDerWaalsContact CZ-CA 3.49Å; Y22-S48 WeakPolarHBondContact OH-CA 3.47Å; Y22-S48 PolarHBondContact OH-N 2.81Å; S48-E50 WeakPolarHBondContact CB-OE2 3.33Å; S48-E50 PolarHBondContact O-N 3.2Å; S48-E50 PolarHBondContact OG-OE2 3.06Å; S48-K51 PolarHBondContact O-N 2.95Å; S48-K51 VanDerWaalsContact O-N 3.07Å; S48-K51 PolarHBondContact OG-N 3.42Å; S48-I52 PolarHBondContact O-N 3.35Å |
| 49 | P | 97.1 | Very high | 84.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.2 | -39.9 | 173.7 | -32.6 | 40.1 | 0 | 0 | 0 | 114.1 | Y22 L25 K51 I52 N53 V139 E143 | Y22-P49 HydrophobicContact CD1-CG 4.34Å; Y22-P49 HydrophobicContact CD2-CG 4.19Å; Y22-P49 HydrophobicContact CG-CG 3.96Å; L25-P49 HydrophobicContact CD1-CB 4.46Å; L25-P49 HydrophobicContact CD1-CG 3.53Å; L25-P49 HydrophobicContact CG-CG 4.49Å; P49-K51 VanDerWaalsContact C-N 3.34Å; P49-K51 PolarHBondContact O-N 2.96Å; P49-I52 PolarHBondContact O-N 2.8Å; P49-N53 WeakPolarHBondContact O-CA 3.47Å; P49-N53 PolarHBondContact O-N 3.41Å; P49-V139 HydrophobicContact CG-CG1 3.99Å; P49-E143 WeakPolarHBondContact CB-OE1 3.26Å |
| 50 | E | 96.6 | Very high | 87.2 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68 | -36.6 | -178.5 | -55.9 | 69.2 | -144.7 | 0 | 0 | 111.2 | S48 | S48-E50 WeakPolarHBondContact CB-OE2 3.33Å; S48-E50 PolarHBondContact O-N 3.2Å; S48-E50 PolarHBondContact OG-OE2 3.06Å |
| 51 | K | 96.9 | Very high | 89.6 | Confident | 114 Ų | 114 | 47.6 Ų | 47.6 | 50% | 0.496 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74 | -38.5 | 177.6 | -174 | 174.7 | 178.1 | -173.5 | 0 | 111.8 | W47 S48 P49 | W47-K51 HydrophobicContact CB-CB 4.36Å; W47-K51 HydrophobicContact CB-CD 4.09Å; W47-K51 HydrophobicContact CB-CG 4.42Å; W47-K51 HydrophobicContact CD2-CD 3.79Å; W47-K51 HydrophobicContact CD2-CG 4.3Å; W47-K51 HydrophobicContact CE3-CD 3.87Å; W47-K51 HydrophobicContact CE3-CG 3.91Å; W47-K51 HydrophobicContact CG-CD 3.9Å; S48-K51 PolarHBondContact O-N 2.95Å; S48-K51 VanDerWaalsContact O-N 3.07Å; S48-K51 PolarHBondContact OG-N 3.42Å; P49-K51 VanDerWaalsContact C-N 3.34Å; P49-K51 PolarHBondContact O-N 2.96Å |
| 52 | I | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.2 | -33.4 | 177 | -62.9 | 164.9 | 0 | 0 | 0 | 110.9 | W47 S48 P49 W123 N125 N136 V139 V140 | W47-I52 HydrophobicContact CB-CD1 4.08Å; W47-I52 HydrophobicContact CB-CG1 3.84Å; W47-I52 HydrophobicContact CE3-CG1 4.49Å; W47-I52 WeakPolarHBondContact O-CD1 3.28Å; S48-I52 PolarHBondContact O-N 3.35Å; P49-I52 PolarHBondContact O-N 2.8Å; I52-W123 HydrophobicContact CG2-CB 4.35Å; I52-N125 WeakPolarHBondContact O-CB 3.19Å; I52-N136 HydrophobicContact CD1-CB 3.83Å; I52-N136 HydrophobicContact CG1-CB 4.35Å; I52-V139 HydrophobicContact CD1-CB 3.79Å; I52-V139 HydrophobicContact CD1-CG1 3.63Å; I52-V140 HydrophobicContact CD1-CG2 4.37Å; I52-V140 HydrophobicContact CG2-CG2 3.57Å |
| 53 | N | 96.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 40.9 Ų | 40.9 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 60.5 | 179 | -170.4 | 43.3 | 0 | 0 | 0 | 112.3 | P49 R55 | P49-N53 WeakPolarHBondContact O-CA 3.47Å; P49-N53 PolarHBondContact O-N 3.41Å; N53-R55 PolarHBondContact O-N 2.81Å |
| 54 | T | 98 | Very high | 95.8 | Very high | 23 Ų | 23 | 42 Ų | 42 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | trans | -68 | 126.8 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | F56 L121 D122 V140 E143 | T54-F56 HydrophobicContact CG2-CE2 4.1Å; T54-F56 HydrophobicContact CG2-CZ 4.3Å; T54-L121 HydrophobicContact CG2-CD1 3.62Å; T54-L121 HydrophobicContact CG2-CG 4.14Å; T54-D122 CarbonylContact C-O 3.54Å; T54-D122 WeakPolarHBondContact CA-O 3.45Å; T54-V140 HydrophobicContact CG2-CG1 3.81Å; T54-E143 HydrophobicContact CG2-CB 4.31Å | ||
| 55 | R | 98.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 18% | 0.181 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.6 | -177.6 | -56.9 | 167.8 | 64.5 | -146.7 | 3.5 | 110.9 | N53 L57 Y67 E69 D122 | N53-R55 PolarHBondContact O-N 2.81Å; R55-L57 HydrophobicContact CB-CD2 4.01Å; R55-Y67 PolarHBondContact NH2-OH 2.91Å; R55-E69 VanDerWaalsContact CG-OE1 3.31Å; R55-E69 WeakPolarHBondContact CG-OE1 3.2Å; R55-E69 IonicContact CZ-OE1 3.2Å; R55-E69 IonicContact CZ-OE2 3.91Å; R55-E69 IonicContact NE-OE1 3.33Å; R55-E69 PolarHBondContact NE-OE1 2.94Å; R55-E69 IonicContact NE-OE2 3.86Å; R55-E69 PolarHBondContact NE-OE2 3.31Å; R55-E69 IonicContact NH2-OE1 2.67Å; R55-E69 IonicContact NH2-OE2 3.17Å; R55-E69 PolarHBondContact NH2-OE2 2.8Å; R55-D122 HydrophobicContact CB-CB 4.22Å; R55-D122 PolarHBondContact N-O 3.42Å; R55-D122 IonicContact NH1-OD2 3.36Å; R55-D122 PolarHBondContact NH1-OD2 2.83Å; R55-D122 VanDerWaalsContact NH1-OD2 3.17Å; R55-D122 PolarHBondContact O-N 2.9Å |
| 56 | F | 98.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106.8 | 177.6 | -61.2 | -98.5 | 0 | 0 | 0 | 108.9 | T54 I70 I119 L121 V144 F147 | T54-F56 HydrophobicContact CG2-CE2 4.1Å; T54-F56 HydrophobicContact CG2-CZ 4.3Å; F56-I70 HydrophobicContact CB-CG1 3.9Å; F56-I70 PolarHBondContact O-N 3.25Å; F56-I119 HydrophobicContact CB-CG2 3.91Å; F56-I119 HydrophobicContact CD1-CG2 4.1Å; F56-L121 HydrophobicContact CD1-CD1 3.57Å; F56-L121 HydrophobicContact CD2-CD1 4.46Å; F56-L121 HydrophobicContact CE1-CD1 3.35Å; F56-L121 HydrophobicContact CE2-CD1 4.28Å; F56-L121 HydrophobicContact CG-CD1 4.13Å; F56-L121 HydrophobicContact CZ-CD1 3.73Å; F56-V144 HydrophobicContact CE1-CG2 4.11Å; F56-V144 HydrophobicContact CZ-CG2 4.24Å; F56-F147 HydrophobicContact CB-CE2 4.47Å; F56-F147 HydrophobicContact CD1-CD1 4.06Å; F56-F147 HydrophobicContact CD1-CD2 4.11Å; F56-F147 HydrophobicContact CD1-CE1 4.33Å; F56-F147 HydrophobicContact CD1-CE2 4.38Å; F56-F147 AromaticContact CD1-CG 3.97Å; F56-F147 HydrophobicContact CD1-CG 3.97Å; F56-F147 HydrophobicContact CD1-CZ 4.5Å; F56-F147 HydrophobicContact CD2-CD2 4.19Å; F56-F147 HydrophobicContact CE1-CB 3.79Å; F56-F147 AromaticContact CE1-CD1 3.91Å; F56-F147 HydrophobicContact CE1-CD1 3.91Å; F56-F147 HydrophobicContact CE1-CD2 4.22Å; F56-F147 AromaticContact CE1-CG 3.71Å; F56-F147 HydrophobicContact CE1-CG 3.71Å; F56-F147 HydrophobicContact CE2-CB 4.16Å; F56-F147 HydrophobicContact CE2-CD2 4.32Å; F56-F147 HydrophobicContact CE2-CG 4.36Å; F56-F147 HydrophobicContact CG-CD2 4.1Å; F56-F147 HydrophobicContact CG-CE2 4.29Å; F56-F147 HydrophobicContact CG-CG 4.4Å; F56-F147 HydrophobicContact CZ-CB 3.6Å; F56-F147 HydrophobicContact CZ-CD2 4.34Å; F56-F147 AromaticContact CZ-CG 3.94Å; F56-F147 HydrophobicContact CZ-CG 3.94Å |
| 57 | L | 98.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 99.8 | -173.7 | -48 | -178.9 | 0 | 0 | 0 | 109.5 | R55 Y59 Y67 E69 I119 N120 D122 | R55-L57 HydrophobicContact CB-CD2 4.01Å; L57-Y59 HydrophobicContact CB-CE2 4.37Å; L57-Y59 WeakPolarHBondContact O-CD2 3.46Å; L57-Y67 HydrophobicContact CB-CD2 4.19Å; L57-Y67 HydrophobicContact CB-CG 3.97Å; L57-Y67 HydrophobicContact CD1-CD1 4.46Å; L57-Y67 HydrophobicContact CD2-CD2 3.73Å; L57-Y67 HydrophobicContact CD2-CE2 3.74Å; L57-Y67 HydrophobicContact CD2-CG 4.26Å; L57-Y67 HydrophobicContact CG-CD2 4.43Å; L57-Y67 HydrophobicContact CG-CG 4.5Å; L57-E69 HydrophobicContact CD2-CB 4.4Å; L57-E69 HydrophobicContact CD2-CG 4.27Å; L57-I119 WeakPolarHBondContact O-CA 3.43Å; L57-N120 HydrophobicContact CB-CB 4.32Å; L57-N120 WeakPolarHBondContact CB-O 3.01Å; L57-N120 PolarHBondContact N-O 2.84Å; L57-N120 PolarHBondContact O-N 3.48Å; L57-D122 HydrophobicContact CD1-CB 4.06Å; L57-D122 HydrophobicContact CG-CB 4.48Å |
| 58 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.4 | -175.5 | 177.6 | 69 | 0 | 0 | 0 | 112.3 | T60 N63 Y67 Q68 I70 S81 F83 N117 I119 | L58-T60 HydrophobicContact CD1-CG2 4.07Å; L58-T60 HydrophobicContact CD2-CG2 4.21Å; L58-T60 HydrophobicContact CG-CG2 4.05Å; L58-N63 PolarHBondContact O-ND2 3.3Å; L58-Y67 CarbonylContact O-C 3.6Å; L58-Y67 VanDerWaalsContact O-CA 3.24Å; L58-Y67 WeakPolarHBondContact O-CA 3.32Å; L58-Q68 WeakPolarHBondContact CB-O 3.42Å; L58-Q68 PolarHBondContact N-O 2.87Å; L58-Q68 PolarHBondContact O-N 2.97Å; L58-I70 HydrophobicContact CB-CD1 3.97Å; L58-I70 HydrophobicContact CB-CG1 4.27Å; L58-I70 HydrophobicContact CB-CG2 4.33Å; L58-I70 HydrophobicContact CD2-CD1 4.31Å; L58-I70 HydrophobicContact CD2-CG2 4.3Å; L58-S81 WeakPolarHBondContact CD2-OG 3.15Å; L58-F83 HydrophobicContact CD1-CD2 4.28Å; L58-F83 HydrophobicContact CD2-CB 3.86Å; L58-F83 HydrophobicContact CD2-CD2 4.45Å; L58-N117 HydrophobicContact CD1-CB 3.86Å; L58-I119 HydrophobicContact CD1-CD1 4.48Å; L58-I119 HydrophobicContact CD1-CG1 3.79Å |
| 59 | Y | 98.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.3 | 166.8 | -57.9 | -86.8 | 0 | 0 | 0 | 109.8 | L57 Y67 R104 C118 N120 | L57-Y59 HydrophobicContact CB-CE2 4.37Å; L57-Y59 WeakPolarHBondContact O-CD2 3.46Å; Y59-Y67 WeakPolarHBondContact OH-CD1 3.31Å; Y59-R104 VanDerWaalsContact CE1-CZ 3.48Å; Y59-C118 PolarHBondContact N-O 3.37Å; Y59-C118 PolarHBondContact O-N 3.09Å; Y59-C118 VanDerWaalsContact O-O 3.13Å; Y59-N120 HydrophobicContact CE2-CB 4.28Å |
| 60 | T | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | trans | -136.4 | 176.1 | 174.1 | 72.4 | 0 | 0 | 0 | 0 | 108.8 | L58 H62 N63 P64 Y82 | L58-T60 HydrophobicContact CD1-CG2 4.07Å; L58-T60 HydrophobicContact CD2-CG2 4.21Å; L58-T60 HydrophobicContact CG-CG2 4.05Å; T60-H62 PolarHBondContact O-N 2.8Å; T60-H62 VanDerWaalsContact O-N 3.15Å; T60-H62 PolarHBondContact OG1-N 3.42Å; T60-H62 VanDerWaalsContact OG1-N 3.1Å; T60-N63 WeakPolarHBondContact CB-OD1 3.05Å; T60-N63 PolarHBondContact N-OD1 2.89Å; T60-N63 CarbonylContact O-C 3.43Å; T60-N63 VanDerWaalsContact O-C 3.27Å; T60-N63 PolarHBondContact O-N 3.41Å; T60-N63 PolarHBondContact OG1-N 2.87Å; T60-N63 PolarHBondContact OG1-OD1 2.99Å; T60-P64 VanDerWaalsContact O-CA 3.27Å; T60-P64 WeakPolarHBondContact O-CA 3.4Å; T60-P64 VanDerWaalsContact O-N 3.1Å; T60-Y82 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 61 | I | 97.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.2 | 172.3 | 62.8 | 170.5 | 0 | 0 | 0 | 112.9 | P64 L111 D115 | I61-P64 WeakPolarHBondContact O-CD 3.26Å; I61-L111 HydrophobicContact CG2-CB 4.49Å; I61-L111 HydrophobicContact CG2-CD2 4.08Å; I61-D115 HydrophobicContact CD1-CB 4.4Å |
| 62 | H | 97.8 | Very high | 97.7 | Very high | 126 Ų | 126 | 46.2 Ų | 46.2 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -23.1 | 178.5 | -60.8 | -57 | 0 | 0 | 0 | 113.6 | T60 P64 Y82 | T60-H62 PolarHBondContact O-N 2.8Å; T60-H62 VanDerWaalsContact O-N 3.15Å; T60-H62 PolarHBondContact OG1-N 3.42Å; T60-H62 VanDerWaalsContact OG1-N 3.1Å; H62-P64 VanDerWaalsContact C-CD 3.48Å; H62-Y82 HydrophobicContact CB-CD1 3.86Å; H62-Y82 HydrophobicContact CB-CD2 3.83Å; H62-Y82 HydrophobicContact CB-CE1 4.07Å; H62-Y82 HydrophobicContact CB-CE2 4.03Å; H62-Y82 HydrophobicContact CB-CG 3.74Å |
| 63 | N | 97.8 | Very high | 97.6 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -133.6 | 56.3 | 175.8 | 69.8 | -51 | 0 | 0 | 0 | 111 | L58 T60 N65 V66 Q68 Y82 | L58-N63 PolarHBondContact O-ND2 3.3Å; T60-N63 WeakPolarHBondContact CB-OD1 3.05Å; T60-N63 PolarHBondContact N-OD1 2.89Å; T60-N63 CarbonylContact O-C 3.43Å; T60-N63 VanDerWaalsContact O-C 3.27Å; T60-N63 PolarHBondContact O-N 3.41Å; T60-N63 PolarHBondContact OG1-N 2.87Å; T60-N63 PolarHBondContact OG1-OD1 2.99Å; N63-N65 PolarHBondContact O-N 2.84Å; N63-N65 VanDerWaalsContact O-N 3.1Å; N63-V66 WeakPolarHBondContact CB-O 3.47Å; N63-V66 PolarHBondContact ND2-O 3.26Å; N63-Q68 PolarHBondContact ND2-N 2.84Å; N63-Y82 HydrophobicContact CB-CD2 3.82Å; N63-Y82 HydrophobicContact CB-CE2 3.99Å |
| 64 | P | 95.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 31% | 0.312 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68.4 | -20.9 | -167.7 | 27.9 | -35.4 | 0 | 0 | 0 | 111.9 | T60 I61 H62 R104 L111 | T60-P64 VanDerWaalsContact O-CA 3.27Å; T60-P64 WeakPolarHBondContact O-CA 3.4Å; T60-P64 VanDerWaalsContact O-N 3.1Å; I61-P64 WeakPolarHBondContact O-CD 3.26Å; H62-P64 VanDerWaalsContact C-CD 3.48Å; P64-R104 PolarHBondContact O-NH1 3.3Å; P64-R104 PolarHBondContact O-NH2 3.05Å; P64-L111 HydrophobicContact CB-CD1 4.5Å |
| 65 | N | 94.5 | Very high | 97.6 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 67% | 0.668 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -103.8 | -29.9 | -173.6 | -66.2 | -41.3 | 0 | 0 | 0 | 115.2 | N63 | N63-N65 PolarHBondContact O-N 2.84Å; N63-N65 VanDerWaalsContact O-N 3.1Å |
| 66 | V | 96.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 51.2 Ų | 51.2 | 66% | 0.655 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -126.3 | 123.7 | -173.7 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | N63 | N63-V66 WeakPolarHBondContact CB-O 3.47Å; N63-V66 PolarHBondContact ND2-O 3.26Å |
| 67 | Y | 98.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 52.7 Ų | 52.7 | 37% | 0.373 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -70 | 153.2 | -178.6 | 59.7 | -94.3 | 0 | 0 | 0 | 112.1 | R55 L57 L58 Y59 E69 | R55-Y67 PolarHBondContact NH2-OH 2.91Å; L57-Y67 HydrophobicContact CB-CD2 4.19Å; L57-Y67 HydrophobicContact CB-CG 3.97Å; L57-Y67 HydrophobicContact CD1-CD1 4.46Å; L57-Y67 HydrophobicContact CD2-CD2 3.73Å; L57-Y67 HydrophobicContact CD2-CE2 3.74Å; L57-Y67 HydrophobicContact CD2-CG 4.26Å; L57-Y67 HydrophobicContact CG-CD2 4.43Å; L57-Y67 HydrophobicContact CG-CG 4.5Å; L58-Y67 CarbonylContact O-C 3.6Å; L58-Y67 VanDerWaalsContact O-CA 3.24Å; L58-Y67 WeakPolarHBondContact O-CA 3.32Å; Y59-Y67 WeakPolarHBondContact OH-CD1 3.31Å; Y67-E69 HydrophobicContact CD2-CB 4.29Å; Y67-E69 HydrophobicContact CE2-CB 4.25Å |
| 68 | Q | 98.7 | Very high | 97.5 | Very high | 52 Ų | 52 | 52 Ų | 52 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.1 | 157.9 | -71.2 | 175.3 | -46.6 | 0 | 0 | 107.8 | L58 N63 I70 Y82 | L58-Q68 WeakPolarHBondContact CB-O 3.42Å; L58-Q68 PolarHBondContact N-O 2.87Å; L58-Q68 PolarHBondContact O-N 2.97Å; N63-Q68 PolarHBondContact ND2-N 2.84Å; Q68-I70 PolarHBondContact O-N 3.25Å; Q68-Y82 VanDerWaalsContact OE1-CD2 3.26Å |
| 69 | E | 98.6 | Very high | 97.4 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.4 | 174.7 | -174.7 | 164.1 | -178.6 | 0 | 0 | 109.2 | R55 L57 Y67 | R55-E69 VanDerWaalsContact CG-OE1 3.31Å; R55-E69 WeakPolarHBondContact CG-OE1 3.2Å; R55-E69 IonicContact CZ-OE1 3.2Å; R55-E69 IonicContact CZ-OE2 3.91Å; R55-E69 IonicContact NE-OE1 3.33Å; R55-E69 PolarHBondContact NE-OE1 2.94Å; R55-E69 IonicContact NE-OE2 3.86Å; R55-E69 PolarHBondContact NE-OE2 3.31Å; R55-E69 IonicContact NH2-OE1 2.67Å; R55-E69 IonicContact NH2-OE2 3.17Å; R55-E69 PolarHBondContact NH2-OE2 2.8Å; L57-E69 HydrophobicContact CD2-CB 4.4Å; L57-E69 HydrophobicContact CD2-CG 4.27Å; Y67-E69 HydrophobicContact CD2-CB 4.29Å; Y67-E69 HydrophobicContact CE2-CB 4.25Å |
| 70 | I | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.4 | -178.1 | 59.6 | 174.2 | 0 | 0 | 0 | 110.3 | F56 L58 Q68 I78 F83 I119 F147 | F56-I70 HydrophobicContact CB-CG1 3.9Å; F56-I70 PolarHBondContact O-N 3.25Å; L58-I70 HydrophobicContact CB-CD1 3.97Å; L58-I70 HydrophobicContact CB-CG1 4.27Å; L58-I70 HydrophobicContact CB-CG2 4.33Å; L58-I70 HydrophobicContact CD2-CD1 4.31Å; L58-I70 HydrophobicContact CD2-CG2 4.3Å; Q68-I70 PolarHBondContact O-N 3.25Å; I70-I78 HydrophobicContact CB-CG1 3.96Å; I70-I78 HydrophobicContact CD1-CG1 4.48Å; I70-F83 HydrophobicContact CD1-CD2 4.36Å; I70-I119 HydrophobicContact CD1-CD1 4.04Å; I70-F147 HydrophobicContact CD1-CE2 3.82Å; I70-F147 HydrophobicContact CD1-CZ 3.55Å; I70-F147 HydrophobicContact CG1-CE2 4.01Å; I70-F147 HydrophobicContact CG1-CZ 4.22Å |
| 71 | S | 97.9 | Very high | 97.4 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | trans | -138.3 | 133.4 | -171.8 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | V73 N74 S75 T77 | S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact OG-N 2.83Å; S71-N74 CarbonylContact O-C 3.52Å; S71-N74 PolarHBondContact OG-N 2.87Å; S71-S75 WeakPolarHBondContact O-CA 3.46Å; S71-S75 PolarHBondContact O-N 3.16Å; S71-T77 PolarHBondContact N-OG1 3.41Å; S71-T77 PolarHBondContact O-OG1 2.77Å | ||
| 72 | A | 95.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -68.9 | -35.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y146 F147 V150 | A72-Y146 HydrophobicContact CB-CD1 3.57Å; A72-Y146 HydrophobicContact CB-CE1 3.54Å; A72-F147 HydrophobicContact CB-CB 4.07Å; A72-F147 HydrophobicContact CB-CD2 4.03Å; A72-V150 HydrophobicContact CB-CB 4.24Å; A72-V150 HydrophobicContact CB-CG2 4.02Å |
| 73 | V | 95.9 | Very high | 97.5 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -46.7 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | R24 S71 Y146 | R24-V73 VanDerWaalsContact CZ-CG2 3.45Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact OG-N 2.83Å; V73-Y146 HydrophobicContact CG2-CE1 4.31Å |
| 74 | N | 96.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 76.4 | 171.9 | -175.3 | 7.6 | 0 | 0 | 0 | 110.7 | S71 S76 T77 | S71-N74 CarbonylContact O-C 3.52Å; S71-N74 PolarHBondContact OG-N 2.87Å; N74-S76 PolarHBondContact O-N 2.68Å; N74-S76 PolarHBondContact OD1-OG 2.99Å; N74-T77 HydrophobicContact CB-CG2 4.27Å; N74-T77 WeakPolarHBondContact O-CB 3.49Å; N74-T77 WeakPolarHBondContact O-CG2 3.42Å; N74-T77 PolarHBondContact O-N 3.14Å; N74-T77 PolarHBondContact O-OG1 2.86Å |
| 75 | S | 96.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.2 | -175.2 | 60 | 0 | 0 | 0 | 0 | 114.7 | S71 T77 I78 Q79 K154 | S71-S75 WeakPolarHBondContact O-CA 3.46Å; S71-S75 PolarHBondContact O-N 3.16Å; S75-T77 PolarHBondContact O-N 2.7Å; S75-I78 WeakPolarHBondContact O-CB 3.43Å; S75-I78 PolarHBondContact O-N 2.96Å; S75-I78 VanDerWaalsContact O-N 3.17Å; S75-Q79 PolarHBondContact O-N 2.89Å; S75-K154 WeakPolarHBondContact OG-CD 3.32Å; S75-K154 PolarHBondContact OG-NZ 3.38Å |
| 76 | S | 97.9 | Very high | 97.7 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -27.8 | 172.6 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | N74 I78 Q79 A80 | N74-S76 PolarHBondContact O-N 2.68Å; N74-S76 PolarHBondContact OD1-OG 2.99Å; S76-I78 VanDerWaalsContact C-N 3.32Å; S76-I78 PolarHBondContact O-N 3.16Å; S76-Q79 PolarHBondContact O-N 2.96Å; S76-A80 WeakPolarHBondContact O-CB 3.49Å; S76-A80 PolarHBondContact O-N 3.28Å |
| 77 | T | 98.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 24% | 0.239 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -36 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | S71 N74 S75 S81 | S71-T77 PolarHBondContact N-OG1 3.41Å; S71-T77 PolarHBondContact O-OG1 2.77Å; N74-T77 HydrophobicContact CB-CG2 4.27Å; N74-T77 WeakPolarHBondContact O-CB 3.49Å; N74-T77 WeakPolarHBondContact O-CG2 3.42Å; N74-T77 PolarHBondContact O-N 3.14Å; N74-T77 PolarHBondContact O-OG1 2.86Å; S75-T77 PolarHBondContact O-N 2.7Å; T77-S81 WeakPolarHBondContact O-CB 3.3Å; T77-S81 PolarHBondContact O-N 2.95Å |
| 78 | I | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 175.5 | -60.2 | 165.2 | 0 | 0 | 0 | 109.2 | I70 S75 S76 A80 S81 F83 F147 V150 L151 F155 | I70-I78 HydrophobicContact CB-CG1 3.96Å; I70-I78 HydrophobicContact CD1-CG1 4.48Å; S75-I78 WeakPolarHBondContact O-CB 3.43Å; S75-I78 PolarHBondContact O-N 2.96Å; S75-I78 VanDerWaalsContact O-N 3.17Å; S76-I78 VanDerWaalsContact C-N 3.32Å; S76-I78 PolarHBondContact O-N 3.16Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 2.87Å; I78-S81 PolarHBondContact O-N 3.19Å; I78-S81 VanDerWaalsContact O-N 3.16Å; I78-S81 PolarHBondContact O-OG 3.3Å; I78-F83 HydrophobicContact CG2-CB 4.11Å; I78-F83 HydrophobicContact CG2-CD1 4.07Å; I78-F83 HydrophobicContact CG2-CG 4.02Å; I78-F147 HydrophobicContact CD1-CE2 3.94Å; I78-F147 HydrophobicContact CG1-CE2 4.35Å; I78-V150 HydrophobicContact CD1-CG1 4.47Å; I78-L151 HydrophobicContact CD1-CD2 4.07Å; I78-L151 HydrophobicContact CG2-CD2 4.06Å; I78-F155 HydrophobicContact CB-CE1 4.32Å; I78-F155 HydrophobicContact CB-CE2 4.17Å; I78-F155 HydrophobicContact CB-CZ 3.72Å; I78-F155 HydrophobicContact CD1-CE2 4.02Å; I78-F155 HydrophobicContact CD1-CZ 4.42Å; I78-F155 HydrophobicContact CG2-CD1 4.46Å; I78-F155 HydrophobicContact CG2-CE1 3.93Å; I78-F155 HydrophobicContact CG2-CE2 4.04Å; I78-F155 HydrophobicContact CG2-CZ 3.7Å |
| 79 | Q | 96.9 | Very high | 97.8 | Very high | 157 Ų | 157 | 53.9 Ų | 53.9 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.6 | -33.7 | -179.8 | -171.4 | 174.5 | 5.8 | 0 | 0 | 113.2 | S75 S76 S81 F155 | S75-Q79 PolarHBondContact O-N 2.89Å; S76-Q79 PolarHBondContact O-N 2.96Å; Q79-S81 VanDerWaalsContact C-N 3.31Å; Q79-F155 HydrophobicContact CB-CE1 4.19Å |
| 80 | A | 98.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 69% | 0.694 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S76 I78 | S76-A80 WeakPolarHBondContact O-CB 3.49Å; S76-A80 PolarHBondContact O-N 3.28Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 2.87Å |
| 81 | S | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 177.9 | -179.7 | 77.6 | 0 | 0 | 0 | 0 | 112.3 | L58 T77 I78 Q79 F83 | L58-S81 WeakPolarHBondContact CD2-OG 3.15Å; T77-S81 WeakPolarHBondContact O-CB 3.3Å; T77-S81 PolarHBondContact O-N 2.95Å; I78-S81 PolarHBondContact O-N 3.19Å; I78-S81 VanDerWaalsContact O-N 3.16Å; I78-S81 PolarHBondContact O-OG 3.3Å; Q79-S81 VanDerWaalsContact C-N 3.31Å; S81-F83 PolarHBondContact O-N 2.61Å; S81-F83 VanDerWaalsContact OG-CB 3.3Å; S81-F83 WeakPolarHBondContact OG-CB 3.45Å; S81-F83 PolarHBondContact OG-N 2.86Å |
| 82 | Y | 98.5 | Very high | 97.8 | Very high | 122 Ų | 122 | 48.6 Ų | 48.6 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 13.2 | 171.7 | -64.4 | -58.8 | 0 | 0 | 0 | 113.9 | T60 H62 N63 Q68 G84 | T60-Y82 WeakPolarHBondContact OG1-CB 3.42Å; H62-Y82 HydrophobicContact CB-CD1 3.86Å; H62-Y82 HydrophobicContact CB-CD2 3.83Å; H62-Y82 HydrophobicContact CB-CE1 4.07Å; H62-Y82 HydrophobicContact CB-CE2 4.03Å; H62-Y82 HydrophobicContact CB-CG 3.74Å; N63-Y82 HydrophobicContact CB-CD2 3.82Å; N63-Y82 HydrophobicContact CB-CE2 3.99Å; Q68-Y82 VanDerWaalsContact OE1-CD2 3.26Å; Y82-G84 PolarHBondContact O-N 3.29Å |
| 83 | F | 98.6 | Very high | 98 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | trans | -61 | 119.2 | 179.5 | -173.2 | -85.1 | 0 | 0 | 0 | 111.4 | L58 I70 I78 S81 T85 T89 N117 I119 L151 Y157 | L58-F83 HydrophobicContact CD1-CD2 4.28Å; L58-F83 HydrophobicContact CD2-CB 3.86Å; L58-F83 HydrophobicContact CD2-CD2 4.45Å; I70-F83 HydrophobicContact CD1-CD2 4.36Å; I78-F83 HydrophobicContact CG2-CB 4.11Å; I78-F83 HydrophobicContact CG2-CD1 4.07Å; I78-F83 HydrophobicContact CG2-CG 4.02Å; S81-F83 PolarHBondContact O-N 2.61Å; S81-F83 VanDerWaalsContact OG-CB 3.3Å; S81-F83 WeakPolarHBondContact OG-CB 3.45Å; S81-F83 PolarHBondContact OG-N 2.86Å; F83-T85 HydrophobicContact CD1-CG2 4.33Å; F83-T85 HydrophobicContact CE1-CG2 4.16Å; F83-T89 HydrophobicContact CE2-CG2 4.31Å; F83-N117 HydrophobicContact CD2-CB 4.01Å; F83-N117 HydrophobicContact CE2-CB 3.93Å; F83-N117 WeakPolarHBondContact CE2-ND2 3.48Å; F83-N117 WeakPolarHBondContact CZ-ND2 3.38Å; F83-I119 HydrophobicContact CE2-CD1 4.49Å; F83-L151 HydrophobicContact CE1-CD2 3.89Å; F83-L151 HydrophobicContact CE2-CD1 4.16Å; F83-L151 HydrophobicContact CE2-CD2 4.31Å; F83-L151 HydrophobicContact CZ-CD1 3.73Å; F83-L151 HydrophobicContact CZ-CD2 3.76Å; F83-L151 HydrophobicContact CZ-CG 4.39Å; F83-Y157 HydrophobicContact CE1-CD2 4.14Å; F83-Y157 HydrophobicContact CE1-CE2 4.22Å; F83-Y157 HydrophobicContact CZ-CD2 4.25Å; F83-Y157 HydrophobicContact CZ-CE2 4.06Å | ||
| 84 | G | 98.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | trans | -97.8 | 121.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y82 D86 K87 N117 | Y82-G84 PolarHBondContact O-N 3.29Å; G84-D86 VanDerWaalsContact C-N 3.29Å; G84-D86 PolarHBondContact O-N 2.92Å; G84-K87 PolarHBondContact O-N 2.84Å; G84-N117 PolarHBondContact N-OD1 2.82Å; G84-N117 PolarHBondContact O-ND2 2.95Å | ||
| 85 | T | 97.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75.2 | -18.8 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | F83 F155 Y157 K161 | F83-T85 HydrophobicContact CD1-CG2 4.33Å; F83-T85 HydrophobicContact CE1-CG2 4.16Å; T85-F155 HydrophobicContact CG2-CB 3.95Å; T85-Y157 WeakPolarHBondContact O-CD2 3.36Å; T85-Y157 WeakPolarHBondContact O-CE2 3.31Å; T85-K161 PolarHBondContact O-NZ 2.93Å; T85-K161 VanDerWaalsContact O-NZ 3.1Å |
| 86 | D | 96.9 | Very high | 97.4 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 54% | 0.535 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -77.7 | -23.4 | 172.7 | 66.8 | -47.6 | 0 | 0 | 0 | 112.3 | G84 K161 | G84-D86 VanDerWaalsContact C-N 3.29Å; G84-D86 PolarHBondContact O-N 2.92Å; D86-K161 VanDerWaalsContact C-NZ 3.33Å; D86-K161 PolarHBondContact O-NZ 2.92Å |
| 87 | K | 98.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 22% | 0.222 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.6 | 162.2 | -175.4 | -47.3 | -53.5 | 177.9 | -171.8 | 0 | 113.6 | G84 D115 Y157 | G84-K87 PolarHBondContact O-N 2.84Å; K87-D115 WeakPolarHBondContact CE-OD2 3.39Å; K87-D115 IonicContact NZ-OD2 3.09Å; K87-D115 PolarHBondContact NZ-OD2 2.82Å; K87-Y157 WeakPolarHBondContact O-CE2 3.46Å; K87-Y157 PolarHBondContact O-OH 2.74Å |
| 88 | I | 98.4 | Very high | 96 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 34% | 0.344 | 25% | 0.247 | S | C | . | . | trans | -75.6 | 144.8 | 165.6 | -66.1 | -64.1 | 0 | 0 | 0 | 108.8 | R90 I116 N117 K161 | I88-R90 HydrophobicContact CG2-CG 4.25Å; I88-I116 HydrophobicContact CB-CG2 4.21Å; I88-I116 WeakPolarHBondContact O-CB 3.31Å; I88-N117 PolarHBondContact O-N 2.8Å; I88-K161 HydrophobicContact CD1-CB 3.83Å; I88-K161 HydrophobicContact CD1-CG 3.98Å | ||
| 89 | T | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.6 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | F83 I91 N117 I119 Y157 K161 V162 H163 | F83-T89 HydrophobicContact CE2-CG2 4.31Å; T89-I91 HydrophobicContact CG2-CG1 4.1Å; T89-N117 CarbonylContact C-O 3.54Å; T89-N117 WeakPolarHBondContact CA-O 3.44Å; T89-N117 HydrophobicContact CG2-CB 4.1Å; T89-N117 PolarHBondContact OG1-ND2 3.31Å; T89-I119 HydrophobicContact CG2-CD1 3.65Å; T89-I119 HydrophobicContact CG2-CG1 4.31Å; T89-Y157 VanDerWaalsContact CB-OH 3.29Å; T89-Y157 WeakPolarHBondContact CB-OH 3.27Å; T89-Y157 PolarHBondContact N-OH 2.91Å; T89-Y157 PolarHBondContact OG1-OH 3.1Å; T89-K161 PolarHBondContact N-O 3.06Å; T89-V162 WeakPolarHBondContact O-CA 3.31Å; T89-H163 PolarHBondContact O-N 3.23Å |
| 90 | R | 98.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.1 | 174.5 | -61.4 | -164.5 | 172.1 | 84.8 | -6.6 | 109.9 | I88 L110 E114 I116 N117 I119 H163 I165 H325 | I88-R90 HydrophobicContact CG2-CG 4.25Å; R90-L110 HydrophobicContact CB-CD1 4.45Å; R90-E114 IonicContact CZ-OE2 3.82Å; R90-E114 IonicContact NH1-OE2 2.67Å; R90-E114 PolarHBondContact NH1-OE2 2.76Å; R90-E114 IonicContact NH2-OE1 3.45Å; R90-E114 IonicContact NH2-OE2 3.69Å; R90-E114 PolarHBondContact NH2-OE2 3.02Å; R90-I116 HydrophobicContact CB-CD1 4.28Å; R90-I116 HydrophobicContact CG-CD1 4.05Å; R90-I116 VanDerWaalsContact NH1-CD1 3.35Å; R90-N117 PolarHBondContact N-O 3.02Å; R90-I119 PolarHBondContact O-N 2.78Å; R90-H163 CarbonylContact C-O 3.25Å; R90-H163 VanDerWaalsContact CA-O 3.29Å; R90-H163 WeakPolarHBondContact CA-O 3.3Å; R90-H163 HydrophobicContact CG-CB 4.18Å; R90-I165 HydrophobicContact CB-CD1 4.44Å; R90-H325 PolarHBondContact NH2-CE1 2.04Å; R90-H325 VanDerWaalsContact NH2-CE1 3.28Å |
| 91 | I | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 112.1 | 179.8 | -49.5 | -173.6 | 0 | 0 | 0 | 108.8 | T89 I93 I119 L121 V144 I148 V162 H163 L164 I165 | T89-I91 HydrophobicContact CG2-CG1 4.1Å; I91-I93 HydrophobicContact CG2-CD1 4.47Å; I91-I93 HydrophobicContact CG2-CG1 4Å; I91-I119 CarbonylContact C-O 3.44Å; I91-I119 VanDerWaalsContact CA-O 3.31Å; I91-I119 WeakPolarHBondContact CA-O 3.34Å; I91-I119 HydrophobicContact CG1-CB 4.23Å; I91-I119 HydrophobicContact CG1-CD1 4.36Å; I91-I119 HydrophobicContact CG2-CB 4.39Å; I91-I119 HydrophobicContact CG2-CG2 4.3Å; I91-L121 HydrophobicContact CG2-CB 4.1Å; I91-V144 HydrophobicContact CD1-CG1 4.39Å; I91-I148 HydrophobicContact CD1-CD1 4.46Å; I91-V162 HydrophobicContact CD1-CG1 4.4Å; I91-H163 PolarHBondContact N-O 3.38Å; I91-L164 HydrophobicContact CB-CD2 3.81Å; I91-L164 HydrophobicContact CD1-CD2 3.79Å; I91-L164 HydrophobicContact CG1-CD2 3.96Å; I91-I165 PolarHBondContact O-N 3.14Å |
| 92 | N | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.6 | 175.5 | -58.3 | -50.9 | 0 | 0 | 0 | 109.7 | W102 Q103 C107 C118 I119 N120 L121 I165 | N92-W102 HydrophobicContact CB-CH2 4.18Å; N92-W102 HydrophobicContact CB-CZ3 4.26Å; N92-Q103 HydrophobicContact CB-CB 3.72Å; N92-Q103 HydrophobicContact CB-CG 3.68Å; N92-Q103 PolarHBondContact ND2-O 2.96Å; N92-C107 PolarHBondContact ND2-SG 3.21Å; N92-C118 PolarHBondContact ND2-SG 3.03Å; N92-C118 VanDerWaalsContact ND2-SG 3.37Å; N92-I119 PolarHBondContact N-O 3.21Å; N92-N120 PolarHBondContact ND2-OD1 2.88Å; N92-L121 PolarHBondContact O-N 2.85Å; N92-I165 CarbonylContact C-O 3.45Å; N92-I165 WeakPolarHBondContact CA-O 3.32Å |
| 93 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.5 | -170.2 | -54.9 | 178.8 | 0 | 0 | 0 | 109.5 | I91 W102 L121 L164 I165 H167 L173 A174 | I91-I93 HydrophobicContact CG2-CD1 4.47Å; I91-I93 HydrophobicContact CG2-CG1 4Å; I93-W102 WeakPolarHBondContact O-CZ2 3.42Å; I93-L121 HydrophobicContact CG1-CB 4.29Å; I93-L121 HydrophobicContact CG1-CD2 4.13Å; I93-L121 HydrophobicContact CG2-CD2 3.95Å; I93-L164 HydrophobicContact CD1-CB 4.1Å; I93-L164 HydrophobicContact CD1-CD2 4.44Å; I93-I165 PolarHBondContact N-O 3.13Å; I93-H167 PolarHBondContact O-N 2.88Å; I93-H167 VanDerWaalsContact O-N 3.12Å; I93-L173 HydrophobicContact CD1-CD2 4.13Å; I93-L173 HydrophobicContact CG2-CB 4.05Å; I93-L173 HydrophobicContact CG2-CD1 3.68Å; I93-L173 HydrophobicContact CG2-CD2 3.88Å; I93-L173 HydrophobicContact CG2-CG 4.1Å; I93-A174 HydrophobicContact CD1-CB 4.02Å |
| 94 | A | 94.4 | Very high | 94 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | trans | -63.5 | 155.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | W123 G170 | A94-W123 WeakPolarHBondContact O-CZ2 3.47Å; A94-W123 PolarHBondContact O-NE1 2.99Å; A94-G170 VanDerWaalsContact O-CA 3.31Å; A94-G170 WeakPolarHBondContact O-CA 3.49Å | ||
| 95 | G | 92.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -90.1 | -157.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K97 T98 H167 | G95-K97 PolarHBondContact O-N 2.86Å; G95-T98 PolarHBondContact N-OG1 2.78Å; G95-T98 PolarHBondContact O-OG1 2.87Å; G95-H167 VanDerWaalsContact CA-O 3.32Å; G95-H167 WeakPolarHBondContact CA-O 3.37Å; G95-H167 PolarHBondContact N-O 2.77Å | ||
| 96 | W | 90.1 | Very high | 93.8 | Very high | 122 Ų | 122 | 45.8 Ų | 45.8 | 46% | 0.462 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 129.3 | 172.9 | 179.3 | 48.1 | 0 | 0 | 0 | 110.7 | T98 R128 Y130 L169 | W96-T98 PolarHBondContact O-N 3.34Å; W96-T98 VanDerWaalsContact O-N 3.07Å; W96-T98 PolarHBondContact O-OG1 2.84Å; W96-R128 PolarHBondContact NE1-O 2.92Å; W96-Y130 HydrophobicContact CB-CD2 4.13Å; W96-Y130 HydrophobicContact CB-CE2 4.44Å; W96-Y130 AromaticContact CD2-CD2 3.69Å; W96-Y130 HydrophobicContact CD2-CD2 3.69Å; W96-Y130 AromaticContact CE3-CD2 3.98Å; W96-Y130 HydrophobicContact CE3-CD2 3.98Å; W96-Y130 AromaticContact CG-CD2 3.72Å; W96-Y130 HydrophobicContact CG-CD2 3.72Å; W96-Y130 HydrophobicContact CG-CE2 4.46Å; W96-L169 HydrophobicContact CB-CD1 3.81Å; W96-L169 HydrophobicContact CB-CG 4.36Å |
| 97 | K | 85.3 | Confident | 93.8 | Very high | 152 Ų | 152 | 41 Ų | 41 | 66% | 0.661 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 36 | 169.9 | -158.2 | -171.4 | 173.1 | -177.8 | 0 | 115.2 | G95 S127 | G95-K97 PolarHBondContact O-N 2.86Å; K97-S127 PolarHBondContact N-O 3.41Å |
| 98 | T | 82.8 | Confident | 93.7 | Very high | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | trans | -85.9 | 144.7 | -179.9 | -46.7 | 0 | 0 | 0 | 0 | 111.8 | G95 W96 I124 | G95-T98 PolarHBondContact N-OG1 2.78Å; G95-T98 PolarHBondContact O-OG1 2.87Å; W96-T98 PolarHBondContact O-N 3.34Å; W96-T98 VanDerWaalsContact O-N 3.07Å; W96-T98 PolarHBondContact O-OG1 2.84Å; T98-I124 VanDerWaalsContact O-CD1 3.27Å; T98-I124 WeakPolarHBondContact O-CD1 3.1Å | ||
| 99 | D | 81.9 | Confident | 93.5 | Very high | 134 Ų | 134 | 39.1 Ų | 39.1 | 72% | 0.717 | 19% | 0.19 | S | C | * | . | trans | -86.7 | -3.3 | -179 | 66.1 | -2.2 | 0 | 0 | 0 | 115.1 | K101 | D99-K101 VanDerWaalsContact OD1-CB 3.25Å; D99-K101 WeakPolarHBondContact OD1-CB 3.42Å; D99-K101 PolarHBondContact OD1-N 3.33Å | ||
| 100 | G | 88.4 | Confident | 93.4 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 87.9 | -4.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q103 R104 | G100-Q103 PolarHBondContact O-N 3.46Å; G100-Q103 PolarHBondContact O-OE1 2.76Å; G100-R104 PolarHBondContact O-N 3.22Å; G100-R104 VanDerWaalsContact O-N 3.16Å |
| 101 | K | 91.3 | Very high | 93.3 | Very high | 123 Ų | 123 | 39.1 Ų | 39.1 | 54% | 0.535 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.9 | -47.1 | -172.3 | -173.6 | -175.4 | -180 | -61 | 0 | 112.5 | D99 Q103 R104 D105 | D99-K101 VanDerWaalsContact OD1-CB 3.25Å; D99-K101 WeakPolarHBondContact OD1-CB 3.42Å; D99-K101 PolarHBondContact OD1-N 3.33Å; K101-Q103 VanDerWaalsContact C-N 3.31Å; K101-Q103 PolarHBondContact O-N 3.3Å; K101-R104 WeakPolarHBondContact O-CB 3.43Å; K101-R104 PolarHBondContact O-N 2.95Å; K101-R104 VanDerWaalsContact O-N 3.15Å; K101-D105 IonicContact NZ-OD1 3.91Å; K101-D105 IonicContact NZ-OD2 3.27Å; K101-D105 PolarHBondContact NZ-OD2 3.06Å; K101-D105 PolarHBondContact O-N 3.27Å |
| 102 | W | 94.1 | Very high | 93 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -36 | -177.4 | 76.9 | -102.1 | 0 | 0 | 0 | 111.8 | N92 I93 R104 D105 M106 H167 L190 H283 | N92-W102 HydrophobicContact CB-CH2 4.18Å; N92-W102 HydrophobicContact CB-CZ3 4.26Å; I93-W102 WeakPolarHBondContact O-CZ2 3.42Å; W102-R104 VanDerWaalsContact C-N 3.25Å; W102-R104 PolarHBondContact O-N 2.72Å; W102-D105 PolarHBondContact O-N 3.15Å; W102-M106 HydrophobicContact CE3-CB 4.34Å; W102-M106 HydrophobicContact CE3-CE 4.26Å; W102-M106 HydrophobicContact CZ3-CB 4.46Å; W102-M106 HydrophobicContact CZ3-CE 4.23Å; W102-M106 VanDerWaalsContact O-CB 3.31Å; W102-M106 WeakPolarHBondContact O-CB 3.36Å; W102-M106 PolarHBondContact O-N 3.24Å; W102-H167 HydrophobicContact CH2-CB 4.04Å; W102-H167 HydrophobicContact CZ2-CB 3.49Å; W102-H167 VanDerWaalsContact CZ2-CB 3.49Å; W102-L190 HydrophobicContact CZ3-CD1 4.36Å; W102-H283 HydrophobicContact CD2-CB 4.33Å; W102-H283 HydrophobicContact CE3-CB 3.99Å; W102-H283 HydrophobicContact CZ3-CB 4.42Å |
| 103 | Q | 96.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.2 | -59.9 | 97.5 | -55.6 | 0 | 0 | 110.6 | N92 G100 K101 M106 C107 N120 | N92-Q103 HydrophobicContact CB-CB 3.72Å; N92-Q103 HydrophobicContact CB-CG 3.68Å; N92-Q103 PolarHBondContact ND2-O 2.96Å; G100-Q103 PolarHBondContact O-N 3.46Å; G100-Q103 PolarHBondContact O-OE1 2.76Å; K101-Q103 VanDerWaalsContact C-N 3.31Å; K101-Q103 PolarHBondContact O-N 3.3Å; Q103-M106 WeakPolarHBondContact O-CB 3.31Å; Q103-M106 PolarHBondContact O-N 3.36Å; Q103-C107 PolarHBondContact O-N 3.02Å; Q103-N120 VanDerWaalsContact C-ND2 3.28Å; Q103-N120 HydrophobicContact CB-CB 4.18Å; Q103-N120 VanDerWaalsContact CB-CG 3.44Å; Q103-N120 WeakPolarHBondContact CB-ND2 3.43Å; Q103-N120 WeakPolarHBondContact CB-OD1 3.24Å; Q103-N120 PolarHBondContact O-ND2 2.87Å; Q103-N120 PolarHBondContact O-OD1 3.4Å |
| 104 | R | 95.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 175.7 | -174.3 | 66.7 | -172.3 | 115.8 | 28.8 | 111.7 | Y59 P64 G100 K101 W102 M106 C107 N108 N120 | Y59-R104 VanDerWaalsContact CE1-CZ 3.48Å; P64-R104 PolarHBondContact O-NH1 3.3Å; P64-R104 PolarHBondContact O-NH2 3.05Å; G100-R104 PolarHBondContact O-N 3.22Å; G100-R104 VanDerWaalsContact O-N 3.16Å; K101-R104 WeakPolarHBondContact O-CB 3.43Å; K101-R104 PolarHBondContact O-N 2.95Å; K101-R104 VanDerWaalsContact O-N 3.15Å; W102-R104 VanDerWaalsContact C-N 3.25Å; W102-R104 PolarHBondContact O-N 2.72Å; R104-M106 PolarHBondContact O-N 3.35Å; R104-C107 PolarHBondContact O-N 3.24Å; R104-N108 PolarHBondContact NH1-OD1 2.66Å; R104-N108 PolarHBondContact NH2-OD1 3.03Å; R104-N108 VanDerWaalsContact O-CG 3.27Å; R104-N108 PolarHBondContact O-N 3.44Å; R104-N108 PolarHBondContact O-ND2 2.8Å; R104-N120 PolarHBondContact N-ND2 3.49Å |
| 105 | D | 94.5 | Very high | 92.6 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 174.9 | -66.3 | -23.1 | 0 | 0 | 0 | 110.8 | K101 W102 N108 V109 | K101-D105 IonicContact NZ-OD1 3.91Å; K101-D105 IonicContact NZ-OD2 3.27Å; K101-D105 PolarHBondContact NZ-OD2 3.06Å; K101-D105 PolarHBondContact O-N 3.27Å; W102-D105 PolarHBondContact O-N 3.15Å; D105-N108 WeakPolarHBondContact O-CB 3.31Å; D105-N108 PolarHBondContact O-N 3.23Å; D105-V109 WeakPolarHBondContact O-CG2 2.97Å; D105-V109 PolarHBondContact O-N 2.68Å; D105-V109 VanDerWaalsContact O-N 3.08Å |
| 106 | M | 96.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 175.5 | -168.5 | 66 | 72 | 0 | 0 | 112.1 | W102 Q103 R104 N108 V109 L110 H283 Y286 A287 I290 | W102-M106 HydrophobicContact CE3-CB 4.34Å; W102-M106 HydrophobicContact CE3-CE 4.26Å; W102-M106 HydrophobicContact CZ3-CB 4.46Å; W102-M106 HydrophobicContact CZ3-CE 4.23Å; W102-M106 VanDerWaalsContact O-CB 3.31Å; W102-M106 WeakPolarHBondContact O-CB 3.36Å; W102-M106 PolarHBondContact O-N 3.24Å; Q103-M106 WeakPolarHBondContact O-CB 3.31Å; Q103-M106 PolarHBondContact O-N 3.36Å; R104-M106 PolarHBondContact O-N 3.35Å; M106-N108 VanDerWaalsContact C-N 3.28Å; M106-N108 PolarHBondContact O-N 2.86Å; M106-V109 PolarHBondContact O-N 2.67Å; M106-L110 HydrophobicContact CG-CD1 3.99Å; M106-L110 WeakPolarHBondContact O-CB 3.26Å; M106-L110 WeakPolarHBondContact O-CG 3.27Å; M106-L110 PolarHBondContact O-N 3.46Å; M106-H283 HydrophobicContact CE-CB 4.37Å; M106-H283 WeakPolarHBondContact CE-O 3.47Å; M106-Y286 HydrophobicContact CE-CD1 3.63Å; M106-Y286 HydrophobicContact CE-CE1 4.47Å; M106-Y286 HydrophobicContact CE-CG 4.29Å; M106-Y286 HydrophobicContact SD-CD1 3.59Å; M106-Y286 VanDerWaalsContact SD-CD1 3.59Å; M106-Y286 HydrophobicContact SD-CE1 4.02Å; M106-A287 HydrophobicContact CE-CB 3.94Å; M106-A287 HydrophobicContact SD-CB 4.02Å; M106-I290 HydrophobicContact SD-CD1 3.68Å |
| 107 | C | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 175.2 | -76.5 | 0 | 0 | 0 | 0 | 112.2 | N92 Q103 R104 V109 L110 L111 C118 N120 | N92-C107 PolarHBondContact ND2-SG 3.21Å; Q103-C107 PolarHBondContact O-N 3.02Å; R104-C107 PolarHBondContact O-N 3.24Å; C107-V109 VanDerWaalsContact C-N 3.33Å; C107-V109 PolarHBondContact O-N 3.25Å; C107-L110 PolarHBondContact O-N 3.06Å; C107-L111 VanDerWaalsContact O-CB 3.31Å; C107-L111 WeakPolarHBondContact O-CB 3.32Å; C107-L111 WeakPolarHBondContact O-CG 3.35Å; C107-L111 PolarHBondContact O-N 3.18Å; C107-C118 WeakPolarHBondContact CA-SG 2.99Å; C107-C118 HydrophobicContact CB-CB 3.86Å; C107-C118 WeakPolarHBondContact CB-SG 3.42Å; C107-C118 WeakPolarHBondContact SG-CB 3.42Å; C107-C118 CovalentContact SG-SG 2.04Å; C107-C118 PolarHBondContact SG-SG 2.99Å; C107-N120 PolarHBondContact SG-OD1 2.85Å |
| 108 | N | 95.4 | Very high | 94 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.5 | -70.1 | -24.1 | 0 | 0 | 0 | 111.7 | R104 D105 M106 Q112 | R104-N108 PolarHBondContact NH1-OD1 2.66Å; R104-N108 PolarHBondContact NH2-OD1 3.03Å; R104-N108 VanDerWaalsContact O-CG 3.27Å; R104-N108 PolarHBondContact O-N 3.44Å; R104-N108 PolarHBondContact O-ND2 2.8Å; D105-N108 WeakPolarHBondContact O-CB 3.31Å; D105-N108 PolarHBondContact O-N 3.23Å; M106-N108 VanDerWaalsContact C-N 3.28Å; M106-N108 PolarHBondContact O-N 2.86Å; N108-Q112 WeakPolarHBondContact O-CG 3.31Å; N108-Q112 PolarHBondContact O-N 2.94Å |
| 109 | V | 95.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 42 Ų | 42 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | D105 M106 C107 L111 Q112 I290 L291 | D105-V109 WeakPolarHBondContact O-CG2 2.97Å; D105-V109 PolarHBondContact O-N 2.68Å; D105-V109 VanDerWaalsContact O-N 3.08Å; M106-V109 PolarHBondContact O-N 2.67Å; C107-V109 VanDerWaalsContact C-N 3.33Å; C107-V109 PolarHBondContact O-N 3.25Å; V109-L111 PolarHBondContact O-N 3.13Å; V109-Q112 WeakPolarHBondContact O-CB 3.25Å; V109-Q112 PolarHBondContact O-N 3.27Å; V109-I290 HydrophobicContact CB-CD1 4.15Å; V109-I290 HydrophobicContact CG1-CB 3.84Å; V109-I290 HydrophobicContact CG1-CD1 3.71Å; V109-I290 HydrophobicContact CG1-CG1 4.33Å; V109-I290 HydrophobicContact CG1-CG2 4.09Å; V109-L291 HydrophobicContact CG1-CD1 4.33Å; V109-L291 HydrophobicContact CG1-CD2 3.93Å; V109-L291 HydrophobicContact CG1-CG 3.87Å |
| 110 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 178.3 | -74.7 | 167.5 | 0 | 0 | 0 | 112.2 | R90 M106 C107 Q112 L113 E114 I116 I290 H325 | R90-L110 HydrophobicContact CB-CD1 4.45Å; M106-L110 HydrophobicContact CG-CD1 3.99Å; M106-L110 WeakPolarHBondContact O-CB 3.26Å; M106-L110 WeakPolarHBondContact O-CG 3.27Å; M106-L110 PolarHBondContact O-N 3.46Å; C107-L110 PolarHBondContact O-N 3.06Å; L110-Q112 PolarHBondContact O-N 2.84Å; L110-L113 PolarHBondContact O-N 2.73Å; L110-L113 VanDerWaalsContact O-N 3.13Å; L110-E114 PolarHBondContact O-N 2.92Å; L110-I116 HydrophobicContact CB-CD1 3.76Å; L110-I116 HydrophobicContact CD1-CD1 4.1Å; L110-I116 HydrophobicContact CD2-CD1 4.42Å; L110-I116 HydrophobicContact CG-CD1 4.32Å; L110-I290 HydrophobicContact CD2-CD1 3.67Å; L110-I290 HydrophobicContact CD2-CG1 4.34Å; L110-I290 HydrophobicContact CD2-CG2 4.33Å; L110-I290 HydrophobicContact CG-CD1 3.8Å; L110-H325 VanDerWaalsContact CD2-CE1 3.45Å; L110-H325 WeakPolarHBondContact CD2-CE1 3.03Å |
| 111 | L | 96.7 | Very high | 96 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.4 | -12.8 | -177.6 | -66.8 | 173 | 0 | 0 | 0 | 113.5 | I61 P64 C107 V109 L113 I116 C118 | I61-L111 HydrophobicContact CG2-CB 4.49Å; I61-L111 HydrophobicContact CG2-CD2 4.08Å; P64-L111 HydrophobicContact CB-CD1 4.5Å; C107-L111 VanDerWaalsContact O-CB 3.31Å; C107-L111 WeakPolarHBondContact O-CB 3.32Å; C107-L111 WeakPolarHBondContact O-CG 3.35Å; C107-L111 PolarHBondContact O-N 3.18Å; V109-L111 PolarHBondContact O-N 3.13Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-I116 HydrophobicContact CD2-CG1 3.92Å; L111-C118 HydrophobicContact CD2-CB 4.48Å; L111-C118 HydrophobicContact CG-CB 4.48Å |
| 112 | Q | 93.3 | Very high | 96.3 | Very high | 137 Ų | 137 | 31 Ų | 31 | 64% | 0.64 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.8 | 171 | -75.7 | 171.6 | 10.7 | 0 | 0 | 112.8 | N108 V109 L110 | N108-Q112 WeakPolarHBondContact O-CG 3.31Å; N108-Q112 PolarHBondContact O-N 2.94Å; V109-Q112 WeakPolarHBondContact O-CB 3.25Å; V109-Q112 PolarHBondContact O-N 3.27Å; L110-Q112 PolarHBondContact O-N 2.84Å |
| 113 | L | 91.5 | Very high | 96.4 | Very high | 99 Ų | 99 | 30.1 Ų | 30.1 | 52% | 0.518 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -25 | -170.5 | -68.7 | 174.7 | 0 | 0 | 0 | 113.6 | L110 L111 I290 L291 | L110-L113 PolarHBondContact O-N 2.73Å; L110-L113 VanDerWaalsContact O-N 3.13Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L113-I290 HydrophobicContact CD1-CG2 3.65Å; L113-I290 WeakPolarHBondContact CD1-O 3.4Å; L113-L291 HydrophobicContact CD1-CD2 3.83Å |
| 114 | E | 94.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 32.2 Ų | 32.2 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | trans | -136.8 | 139.2 | -173.8 | -60.2 | -176.1 | -163.1 | 0 | 0 | 112.2 | R90 L110 I116 H325 | R90-E114 IonicContact CZ-OE2 3.82Å; R90-E114 IonicContact NH1-OE2 2.67Å; R90-E114 PolarHBondContact NH1-OE2 2.76Å; R90-E114 IonicContact NH2-OE1 3.45Å; R90-E114 IonicContact NH2-OE2 3.69Å; R90-E114 PolarHBondContact NH2-OE2 3.02Å; L110-E114 PolarHBondContact O-N 2.92Å; E114-I116 HydrophobicContact CB-CG2 3.74Å; E114-I116 PolarHBondContact O-N 2.77Å; E114-H325 IonicContact OE1-CD2 2.67Å; E114-H325 IonicContact OE1-CE1 2.61Å; E114-H325 IonicContact OE1-NE2 3.52Å; E114-H325 PolarHBondContact OE1-NE2 2.92Å | ||
| 115 | D | 97.4 | Very high | 96.4 | Very high | 71 Ų | 71 | 33 Ų | 33 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | trans | -82.8 | 92.9 | 170.2 | -179.3 | 15.3 | 0 | 0 | 0 | 109.3 | I61 K87 | I61-D115 HydrophobicContact CD1-CB 4.4Å; K87-D115 WeakPolarHBondContact CE-OD2 3.39Å; K87-D115 IonicContact NZ-OD2 3.09Å; K87-D115 PolarHBondContact NZ-OD2 2.82Å | ||
| 116 | I | 98.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | trans | -133.3 | 163.5 | -173.4 | 64 | 165.3 | 0 | 0 | 0 | 112.4 | I88 R90 L110 L111 E114 C118 | I88-I116 HydrophobicContact CB-CG2 4.21Å; I88-I116 WeakPolarHBondContact O-CB 3.31Å; R90-I116 HydrophobicContact CB-CD1 4.28Å; R90-I116 HydrophobicContact CG-CD1 4.05Å; R90-I116 VanDerWaalsContact NH1-CD1 3.35Å; L110-I116 HydrophobicContact CB-CD1 3.76Å; L110-I116 HydrophobicContact CD1-CD1 4.1Å; L110-I116 HydrophobicContact CD2-CD1 4.42Å; L110-I116 HydrophobicContact CG-CD1 4.32Å; L111-I116 HydrophobicContact CD2-CG1 3.92Å; E114-I116 HydrophobicContact CB-CG2 3.74Å; E114-I116 PolarHBondContact O-N 2.77Å; I116-C118 HydrophobicContact CD1-CB 4.18Å; I116-C118 HydrophobicContact CG1-CB 4.47Å | ||
| 117 | N | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 108.6 | 160.8 | -51.5 | -50.4 | 0 | 0 | 0 | 108.5 | L58 F83 G84 I88 T89 R90 | L58-N117 HydrophobicContact CD1-CB 3.86Å; F83-N117 HydrophobicContact CD2-CB 4.01Å; F83-N117 HydrophobicContact CE2-CB 3.93Å; F83-N117 WeakPolarHBondContact CE2-ND2 3.48Å; F83-N117 WeakPolarHBondContact CZ-ND2 3.38Å; G84-N117 PolarHBondContact N-OD1 2.82Å; G84-N117 PolarHBondContact O-ND2 2.95Å; I88-N117 PolarHBondContact O-N 2.8Å; T89-N117 CarbonylContact C-O 3.54Å; T89-N117 WeakPolarHBondContact CA-O 3.44Å; T89-N117 HydrophobicContact CG2-CB 4.1Å; T89-N117 PolarHBondContact OG1-ND2 3.31Å; R90-N117 PolarHBondContact N-O 3.02Å |
| 118 | C | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.3 | 174.4 | -164.1 | 0 | 0 | 0 | 0 | 110 | Y59 N92 C107 L111 I116 | Y59-C118 PolarHBondContact N-O 3.37Å; Y59-C118 PolarHBondContact O-N 3.09Å; Y59-C118 VanDerWaalsContact O-O 3.13Å; N92-C118 PolarHBondContact ND2-SG 3.03Å; N92-C118 VanDerWaalsContact ND2-SG 3.37Å; C107-C118 WeakPolarHBondContact CA-SG 2.99Å; C107-C118 HydrophobicContact CB-CB 3.86Å; C107-C118 WeakPolarHBondContact CB-SG 3.42Å; C107-C118 WeakPolarHBondContact SG-CB 3.42Å; C107-C118 CovalentContact SG-SG 2.04Å; C107-C118 PolarHBondContact SG-SG 2.99Å; L111-C118 HydrophobicContact CD2-CB 4.48Å; L111-C118 HydrophobicContact CG-CB 4.48Å; I116-C118 HydrophobicContact CD1-CB 4.18Å; I116-C118 HydrophobicContact CG1-CB 4.47Å |
| 119 | I | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.3 | -176.5 | -59.9 | 172.7 | 0 | 0 | 0 | 108.9 | F56 L57 L58 I70 F83 T89 R90 I91 N92 F147 | F56-I119 HydrophobicContact CB-CG2 3.91Å; F56-I119 HydrophobicContact CD1-CG2 4.1Å; L57-I119 WeakPolarHBondContact O-CA 3.43Å; L58-I119 HydrophobicContact CD1-CD1 4.48Å; L58-I119 HydrophobicContact CD1-CG1 3.79Å; I70-I119 HydrophobicContact CD1-CD1 4.04Å; F83-I119 HydrophobicContact CE2-CD1 4.49Å; T89-I119 HydrophobicContact CG2-CD1 3.65Å; T89-I119 HydrophobicContact CG2-CG1 4.31Å; R90-I119 PolarHBondContact O-N 2.78Å; I91-I119 CarbonylContact C-O 3.44Å; I91-I119 VanDerWaalsContact CA-O 3.31Å; I91-I119 WeakPolarHBondContact CA-O 3.34Å; I91-I119 HydrophobicContact CG1-CB 4.23Å; I91-I119 HydrophobicContact CG1-CD1 4.36Å; I91-I119 HydrophobicContact CG2-CB 4.39Å; I91-I119 HydrophobicContact CG2-CG2 4.3Å; N92-I119 PolarHBondContact N-O 3.21Å; I119-F147 HydrophobicContact CD1-CE1 3.85Å; I119-F147 HydrophobicContact CD1-CZ 3.9Å |
| 120 | N | 98.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.5 | 166.9 | -69.7 | -4.9 | 0 | 0 | 0 | 108.9 | L57 Y59 N92 Q103 R104 C107 | L57-N120 HydrophobicContact CB-CB 4.32Å; L57-N120 WeakPolarHBondContact CB-O 3.01Å; L57-N120 PolarHBondContact N-O 2.84Å; L57-N120 PolarHBondContact O-N 3.48Å; Y59-N120 HydrophobicContact CE2-CB 4.28Å; N92-N120 PolarHBondContact ND2-OD1 2.88Å; Q103-N120 VanDerWaalsContact C-ND2 3.28Å; Q103-N120 HydrophobicContact CB-CB 4.18Å; Q103-N120 VanDerWaalsContact CB-CG 3.44Å; Q103-N120 WeakPolarHBondContact CB-ND2 3.43Å; Q103-N120 WeakPolarHBondContact CB-OD1 3.24Å; Q103-N120 PolarHBondContact O-ND2 2.87Å; Q103-N120 PolarHBondContact O-OD1 3.4Å; R104-N120 PolarHBondContact N-ND2 3.49Å; C107-N120 PolarHBondContact SG-OD1 2.85Å |
| 121 | L | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 111.2 | 174.7 | -166.4 | 76.6 | 0 | 0 | 0 | 109.5 | T54 F56 I91 N92 I93 V140 V144 L173 | T54-L121 HydrophobicContact CG2-CD1 3.62Å; T54-L121 HydrophobicContact CG2-CG 4.14Å; F56-L121 HydrophobicContact CD1-CD1 3.57Å; F56-L121 HydrophobicContact CD2-CD1 4.46Å; F56-L121 HydrophobicContact CE1-CD1 3.35Å; F56-L121 HydrophobicContact CE2-CD1 4.28Å; F56-L121 HydrophobicContact CG-CD1 4.13Å; F56-L121 HydrophobicContact CZ-CD1 3.73Å; I91-L121 HydrophobicContact CG2-CB 4.1Å; N92-L121 PolarHBondContact O-N 2.85Å; I93-L121 HydrophobicContact CG1-CB 4.29Å; I93-L121 HydrophobicContact CG1-CD2 4.13Å; I93-L121 HydrophobicContact CG2-CD2 3.95Å; L121-V140 HydrophobicContact CD2-CG1 3.8Å; L121-V144 HydrophobicContact CD1-CG2 3.96Å; L121-V144 HydrophobicContact CD2-CG2 3.6Å; L121-V144 HydrophobicContact CG-CG2 4.46Å; L121-L173 HydrophobicContact CD2-CD1 4.37Å; L121-L173 HydrophobicContact CD2-CD2 4.07Å |
| 122 | D | 97.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.9 | 173.7 | 174.4 | 19.7 | 0 | 0 | 0 | 109.4 | T54 R55 L57 I124 | T54-D122 CarbonylContact C-O 3.54Å; T54-D122 WeakPolarHBondContact CA-O 3.45Å; R55-D122 HydrophobicContact CB-CB 4.22Å; R55-D122 PolarHBondContact N-O 3.42Å; R55-D122 IonicContact NH1-OD2 3.36Å; R55-D122 PolarHBondContact NH1-OD2 2.83Å; R55-D122 VanDerWaalsContact NH1-OD2 3.17Å; R55-D122 PolarHBondContact O-N 2.9Å; L57-D122 HydrophobicContact CD1-CB 4.06Å; L57-D122 HydrophobicContact CG-CB 4.48Å; D122-I124 VanDerWaalsContact OD1-CG2 3.31Å; D122-I124 WeakPolarHBondContact OD1-CG2 3.29Å; D122-I124 PolarHBondContact OD1-N 3.49Å; D122-I124 VanDerWaalsContact OD1-N 3.15Å |
| 123 | W | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | trans | -138.3 | 27.1 | 176.1 | 68.3 | -73.8 | 0 | 0 | 0 | 110.9 | I52 A94 N125 G126 S127 A133 L137 V140 L169 L173 | I52-W123 HydrophobicContact CG2-CB 4.35Å; A94-W123 WeakPolarHBondContact O-CZ2 3.47Å; A94-W123 PolarHBondContact O-NE1 2.99Å; W123-N125 PolarHBondContact O-N 2.02Å; W123-N125 VanDerWaalsContact O-N 3.08Å; W123-G126 PolarHBondContact O-N 3.02Å; W123-S127 PolarHBondContact O-N 3.31Å; W123-A133 HydrophobicContact CH2-CB 4.06Å; W123-A133 HydrophobicContact CZ3-CB 4.12Å; W123-L137 HydrophobicContact CH2-CD2 3.33Å; W123-L137 HydrophobicContact CZ2-CD2 3.94Å; W123-L137 HydrophobicContact CZ3-CD2 3.79Å; W123-V140 HydrophobicContact CB-CG1 4.07Å; W123-V140 HydrophobicContact CB-CG2 4.2Å; W123-V140 HydrophobicContact CD2-CG2 4.41Å; W123-V140 HydrophobicContact CE3-CG2 4.03Å; W123-V140 HydrophobicContact CG-CG1 4.26Å; W123-L169 HydrophobicContact CH2-CB 4.41Å; W123-L169 HydrophobicContact CH2-CD1 4.36Å; W123-L169 HydrophobicContact CZ2-CB 4.44Å; W123-L173 HydrophobicContact CD2-CD1 4.06Å; W123-L173 HydrophobicContact CG-CD1 4.39Å; W123-L173 HydrophobicContact CZ2-CD1 4.09Å | ||
| 124 | I | 95.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 25% | 0.251 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31 | -170.5 | -170.7 | 51.3 | 0 | 0 | 0 | 113.3 | T98 D122 G126 S127 R128 | T98-I124 VanDerWaalsContact O-CD1 3.27Å; T98-I124 WeakPolarHBondContact O-CD1 3.1Å; D122-I124 VanDerWaalsContact OD1-CG2 3.31Å; D122-I124 WeakPolarHBondContact OD1-CG2 3.29Å; D122-I124 PolarHBondContact OD1-N 3.49Å; D122-I124 VanDerWaalsContact OD1-N 3.15Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.28Å; I124-S127 WeakPolarHBondContact CA-OG 3.43Å; I124-S127 WeakPolarHBondContact CD1-OG 3.49Å; I124-S127 PolarHBondContact O-N 2.81Å; I124-S127 PolarHBondContact O-OG 3.1Å; I124-R128 WeakPolarHBondContact O-CG 3.03Å; I124-R128 PolarHBondContact O-N 3.28Å |
| 125 | N | 95.8 | Very high | 94.2 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -38.9 | 177.3 | -69.9 | -12.8 | 0 | 0 | 0 | 111.4 | W47 I52 W123 S127 R128 | W47-N125 WeakPolarHBondContact CZ3-O 3.49Å; I52-N125 WeakPolarHBondContact O-CB 3.19Å; W123-N125 PolarHBondContact O-N 2.02Å; W123-N125 VanDerWaalsContact O-N 3.08Å; N125-S127 VanDerWaalsContact C-N 3.32Å; N125-R128 PolarHBondContact OD1-NH2 3.36Å |
| 126 | G | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | W123 I124 A133 N136 | W123-G126 PolarHBondContact O-N 3.02Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.28Å; G126-A133 VanDerWaalsContact O-CA 3.29Å; G126-A133 WeakPolarHBondContact O-CA 3.35Å; G126-N136 WeakPolarHBondContact CA-ND2 3.25Å; G126-N136 PolarHBondContact O-ND2 3.42Å |
| 127 | S | 94.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 11.2 | -172 | 81.7 | 0 | 0 | 0 | 0 | 115.3 | K97 W123 I124 N125 | K97-S127 PolarHBondContact N-O 3.41Å; W123-S127 PolarHBondContact O-N 3.31Å; I124-S127 WeakPolarHBondContact CA-OG 3.43Å; I124-S127 WeakPolarHBondContact CD1-OG 3.49Å; I124-S127 PolarHBondContact O-N 2.81Å; I124-S127 PolarHBondContact O-OG 3.1Å; N125-S127 VanDerWaalsContact C-N 3.32Å |
| 128 | R | 90.3 | Very high | 93.7 | Very high | 157 Ų | 157 | 31.4 Ų | 31.4 | 59% | 0.592 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -72.4 | -43.1 | -177.4 | -58.7 | -165.7 | 178.9 | -175.3 | 0.8 | 113.3 | W96 I124 N125 | W96-R128 PolarHBondContact NE1-O 2.92Å; I124-R128 WeakPolarHBondContact O-CG 3.03Å; I124-R128 PolarHBondContact O-N 3.28Å; N125-R128 PolarHBondContact OD1-NH2 3.36Å |
| 129 | E | 89.1 | Confident | 93.7 | Very high | 123 Ų | 123 | 31.4 Ų | 31.4 | 58% | 0.575 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -108.6 | 127.7 | 179.9 | -62.3 | -144.7 | 168.5 | 0 | 0 | 110.2 | I131 H132 A133 | E129-I131 PolarHBondContact O-N 3.44Å; E129-H132 HydrophobicContact CB-CB 4.36Å; E129-H132 PolarHBondContact O-N 3.05Å; E129-H132 IonicContact OE2-CD2 2.74Å; E129-A133 WeakPolarHBondContact O-CB 3.24Å; E129-A133 PolarHBondContact O-N 2.89Å |
| 130 | Y | 86.8 | Confident | 93.6 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -45.4 | -165.9 | -169.2 | -102.5 | 0 | 0 | 0 | 113.3 | W96 H132 A133 V134 L169 P195 F196 | W96-Y130 HydrophobicContact CB-CD2 4.13Å; W96-Y130 HydrophobicContact CB-CE2 4.44Å; W96-Y130 AromaticContact CD2-CD2 3.69Å; W96-Y130 HydrophobicContact CD2-CD2 3.69Å; W96-Y130 AromaticContact CE3-CD2 3.98Å; W96-Y130 HydrophobicContact CE3-CD2 3.98Å; W96-Y130 AromaticContact CG-CD2 3.72Å; W96-Y130 HydrophobicContact CG-CD2 3.72Å; W96-Y130 HydrophobicContact CG-CE2 4.46Å; Y130-H132 PolarHBondContact O-N 3.24Å; Y130-A133 WeakPolarHBondContact O-CB 3.21Å; Y130-A133 PolarHBondContact O-N 3.22Å; Y130-V134 HydrophobicContact CD1-CG2 4.29Å; Y130-V134 HydrophobicContact CE1-CG2 4.05Å; Y130-V134 WeakPolarHBondContact O-CG2 3.3Å; Y130-V134 PolarHBondContact O-N 3.25Å; Y130-L169 HydrophobicContact CD2-CD1 4.07Å; Y130-L169 HydrophobicContact CE2-CD1 3.9Å; Y130-L169 HydrophobicContact CE2-CD2 3.95Å; Y130-L169 HydrophobicContact CE2-CG 4.02Å; Y130-P195 HydrophobicContact CE1-CB 3.97Å; Y130-P195 WeakPolarHBondContact OH-CB 3.4Å; Y130-P195 PolarHBondContact OH-O 3.3Å; Y130-F196 HydrophobicContact CD1-CD2 4.24Å; Y130-F196 AromaticContact CD1-CE2 4Å; Y130-F196 HydrophobicContact CD1-CE2 4Å; Y130-F196 AromaticContact CE1-CD2 3.64Å; Y130-F196 HydrophobicContact CE1-CD2 3.64Å; Y130-F196 AromaticContact CE1-CE2 3.81Å; Y130-F196 HydrophobicContact CE1-CE2 3.81Å |
| 131 | I | 86.8 | Confident | 93.6 | Very high | 60 Ų | 60 | 30.9 Ų | 30.9 | 31% | 0.308 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 179.7 | -65.7 | 164.3 | 0 | 0 | 0 | 110.8 | L42 E129 A133 V134 N135 F196 | L42-I131 HydrophobicContact CB-CD1 4.26Å; L42-I131 HydrophobicContact CB-CG2 4.02Å; L42-I131 HydrophobicContact CD1-CD1 3.83Å; L42-I131 HydrophobicContact CD2-CD1 4.06Å; L42-I131 HydrophobicContact CG-CD1 4.26Å; L42-I131 WeakPolarHBondContact O-CG2 3.42Å; E129-I131 PolarHBondContact O-N 3.44Å; I131-A133 VanDerWaalsContact C-N 3.31Å; I131-A133 PolarHBondContact O-N 3.14Å; I131-V134 PolarHBondContact O-N 2.74Å; I131-N135 PolarHBondContact O-N 3.36Å; I131-N135 PolarHBondContact O-ND2 3.13Å; I131-F196 HydrophobicContact CG1-CZ 4.35Å |
| 132 | H | 89.2 | Confident | 93.6 | Very high | 70 Ų | 70 | 31.1 Ų | 31.1 | 32% | 0.324 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 175.5 | -68.3 | -49.6 | 0 | 0 | 0 | 111.4 | W47 E129 Y130 V134 N135 N136 | W47-H132 AromaticContact CE2-CG 3.87Å; W47-H132 AromaticContact CE2-ND1 3.99Å; W47-H132 HydrophobicContact CH2-CB 4.18Å; W47-H132 HydrophobicContact CZ2-CB 3.73Å; W47-H132 AromaticContact CZ2-CD2 3.52Å; W47-H132 AromaticContact CZ2-CG 3.46Å; W47-H132 VanDerWaalsContact CZ2-CG 3.46Å; W47-H132 AromaticContact CZ2-ND1 3.95Å; W47-H132 AromaticContact NE1-ND1 3.65Å; E129-H132 HydrophobicContact CB-CB 4.36Å; E129-H132 PolarHBondContact O-N 3.05Å; E129-H132 IonicContact OE2-CD2 2.74Å; Y130-H132 PolarHBondContact O-N 3.24Å; H132-V134 PolarHBondContact O-N 3.42Å; H132-N135 PolarHBondContact O-N 3.21Å; H132-N136 VanDerWaalsContact O-CB 3.24Å; H132-N136 WeakPolarHBondContact O-CB 3.34Å; H132-N136 PolarHBondContact O-N 3.1Å; H132-N136 PolarHBondContact O-ND2 2.74Å; H132-N136 VanDerWaalsContact O-ND2 3.17Å; H132-N136 PolarHBondContact O-OD1 3.28Å |
| 133 | A | 92.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | W123 G126 E129 Y130 I131 N135 N136 L137 L169 | W123-A133 HydrophobicContact CH2-CB 4.06Å; W123-A133 HydrophobicContact CZ3-CB 4.12Å; G126-A133 VanDerWaalsContact O-CA 3.29Å; G126-A133 WeakPolarHBondContact O-CA 3.35Å; E129-A133 WeakPolarHBondContact O-CB 3.24Å; E129-A133 PolarHBondContact O-N 2.89Å; Y130-A133 WeakPolarHBondContact O-CB 3.21Å; Y130-A133 PolarHBondContact O-N 3.22Å; I131-A133 VanDerWaalsContact C-N 3.31Å; I131-A133 PolarHBondContact O-N 3.14Å; A133-N135 VanDerWaalsContact C-N 3.31Å; A133-N135 PolarHBondContact O-N 3.18Å; A133-N136 PolarHBondContact O-N 3.3Å; A133-L137 VanDerWaalsContact O-CD2 3.32Å; A133-L137 WeakPolarHBondContact O-CD2 3.44Å; A133-L137 VanDerWaalsContact O-CG 3.26Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 2.72Å; A133-L137 VanDerWaalsContact O-N 3.08Å; A133-L169 HydrophobicContact CB-CD1 3.57Å |
| 134 | V | 90.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 11% | 0.109 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.2 | -46 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | Y130 I131 H132 L137 L169 F196 F197 | Y130-V134 HydrophobicContact CD1-CG2 4.29Å; Y130-V134 HydrophobicContact CE1-CG2 4.05Å; Y130-V134 WeakPolarHBondContact O-CG2 3.3Å; Y130-V134 PolarHBondContact O-N 3.25Å; I131-V134 PolarHBondContact O-N 2.74Å; H132-V134 PolarHBondContact O-N 3.42Å; V134-L137 WeakPolarHBondContact O-CG 3.31Å; V134-L169 HydrophobicContact CG2-CD2 3.98Å; V134-F196 HydrophobicContact CG1-CB 4.1Å; V134-F196 HydrophobicContact CG1-CG 4.48Å; V134-F196 HydrophobicContact CG2-CB 4.37Å; V134-F196 HydrophobicContact CG2-CD2 4.33Å; V134-F196 HydrophobicContact CG2-CG 4.47Å; V134-F197 HydrophobicContact CG1-CE2 4.4Å; V134-F197 HydrophobicContact CG1-CZ 4.01Å; V134-F197 HydrophobicContact CG2-CE2 4.03Å; V134-F197 HydrophobicContact CG2-CZ 4.28Å |
| 135 | N | 90.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.043 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | 178.4 | -69 | -68.6 | 0 | 0 | 0 | 112.2 | V43 G44 I131 H132 A133 L137 R138 | V43-N135 WeakPolarHBondContact CG1-OD1 3.44Å; G44-N135 PolarHBondContact N-ND2 2.69Å; G44-N135 PolarHBondContact N-OD1 2.87Å; G44-N135 PolarHBondContact O-OD1 2.85Å; I131-N135 PolarHBondContact O-N 3.36Å; I131-N135 PolarHBondContact O-ND2 3.13Å; H132-N135 PolarHBondContact O-N 3.21Å; A133-N135 VanDerWaalsContact C-N 3.31Å; A133-N135 PolarHBondContact O-N 3.18Å; N135-L137 PolarHBondContact O-N 3.49Å; N135-R138 PolarHBondContact O-N 3.12Å |
| 136 | N | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -21.1 | -176.5 | -71.1 | -18.9 | 0 | 0 | 0 | 113 | W47 I52 G126 H132 A133 R138 V139 V140 | W47-N136 WeakPolarHBondContact CB-OD1 3.48Å; W47-N136 PolarHBondContact N-OD1 2.98Å; I52-N136 HydrophobicContact CD1-CB 3.83Å; I52-N136 HydrophobicContact CG1-CB 4.35Å; G126-N136 WeakPolarHBondContact CA-ND2 3.25Å; G126-N136 PolarHBondContact O-ND2 3.42Å; H132-N136 VanDerWaalsContact O-CB 3.24Å; H132-N136 WeakPolarHBondContact O-CB 3.34Å; H132-N136 PolarHBondContact O-N 3.1Å; H132-N136 PolarHBondContact O-ND2 2.74Å; H132-N136 VanDerWaalsContact O-ND2 3.17Å; H132-N136 PolarHBondContact O-OD1 3.28Å; A133-N136 PolarHBondContact O-N 3.3Å; N136-R138 PolarHBondContact O-N 3.46Å; N136-R138 VanDerWaalsContact O-N 3.08Å; N136-V139 PolarHBondContact O-N 2.66Å; N136-V140 WeakPolarHBondContact O-CG2 3.15Å; N136-V140 PolarHBondContact O-N 3.29Å |
| 137 | L | 94.5 | Very high | 94.3 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -50.9 | -36.5 | 175.7 | -59.3 | -165.4 | 0 | 0 | 0 | 112.1 | W123 A133 V134 N135 V139 V140 G141 L169 H172 L173 F197 | W123-L137 HydrophobicContact CH2-CD2 3.33Å; W123-L137 HydrophobicContact CZ2-CD2 3.94Å; W123-L137 HydrophobicContact CZ3-CD2 3.79Å; A133-L137 VanDerWaalsContact O-CD2 3.32Å; A133-L137 WeakPolarHBondContact O-CD2 3.44Å; A133-L137 VanDerWaalsContact O-CG 3.26Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 2.72Å; A133-L137 VanDerWaalsContact O-N 3.08Å; V134-L137 WeakPolarHBondContact O-CG 3.31Å; N135-L137 PolarHBondContact O-N 3.49Å; L137-V139 PolarHBondContact O-N 3.38Å; L137-V140 PolarHBondContact O-N 3.37Å; L137-G141 PolarHBondContact O-N 3.16Å; L137-L169 HydrophobicContact CD1-CB 4.42Å; L137-L169 HydrophobicContact CD1-CD2 4.43Å; L137-L169 HydrophobicContact CD2-CB 4.25Å; L137-H172 HydrophobicContact CD1-CB 3.77Å; L137-L173 HydrophobicContact CD2-CB 4.09Å; L137-L173 HydrophobicContact CD2-CD1 4.1Å; L137-L173 HydrophobicContact CD2-CG 4.36Å; L137-F197 HydrophobicContact CD1-CE1 4.16Å; L137-F197 HydrophobicContact CD1-CZ 3.58Å |
| 138 | R | 94.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 179.1 | -54 | -166.7 | -48.5 | -174.6 | 2.9 | 112.8 | F28 K29 W34 N135 N136 A142 | F28-R138 HydrophobicContact CD1-CB 3.68Å; F28-R138 HydrophobicContact CE1-CB 3.66Å; F28-R138 WeakPolarHBondContact CE1-O 3.19Å; K29-R138 PolarHBondContact O-NH1 2.78Å; K29-R138 PolarHBondContact O-NH2 3.34Å; W34-R138 VanDerWaalsContact CG-NH1 3.34Å; W34-R138 HydrophobicContact CH2-CG 4.19Å; W34-R138 HydrophobicContact CZ3-CG 4.17Å; N135-R138 PolarHBondContact O-N 3.12Å; N136-R138 PolarHBondContact O-N 3.46Å; N136-R138 VanDerWaalsContact O-N 3.08Å; R138-A142 WeakPolarHBondContact O-CB 3.4Å; R138-A142 PolarHBondContact O-N 3.07Å; R138-A142 VanDerWaalsContact O-N 3.07Å |
| 139 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.5 | -42.7 | 179.3 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | Y22 L25 F28 P46 P49 I52 N136 L137 A142 E143 | Y22-V139 HydrophobicContact CD2-CG2 4.09Å; Y22-V139 HydrophobicContact CE2-CG2 3.66Å; L25-V139 HydrophobicContact CD1-CG1 3.8Å; F28-V139 HydrophobicContact CD1-CG2 4.41Å; F28-V139 HydrophobicContact CD2-CG2 4.17Å; F28-V139 HydrophobicContact CE1-CG2 4.13Å; F28-V139 HydrophobicContact CE2-CG2 3.9Å; F28-V139 HydrophobicContact CG-CG2 4.42Å; F28-V139 HydrophobicContact CZ-CG2 3.86Å; P46-V139 HydrophobicContact CB-CB 4.35Å; P46-V139 HydrophobicContact CB-CG2 3.51Å; P46-V139 HydrophobicContact CG-CG2 3.54Å; P49-V139 HydrophobicContact CG-CG1 3.99Å; I52-V139 HydrophobicContact CD1-CB 3.79Å; I52-V139 HydrophobicContact CD1-CG1 3.63Å; N136-V139 PolarHBondContact O-N 2.66Å; L137-V139 PolarHBondContact O-N 3.38Å; V139-A142 WeakPolarHBondContact O-CB 3.39Å; V139-A142 PolarHBondContact O-N 2.8Å; V139-E143 WeakPolarHBondContact O-CG 3.46Å; V139-E143 PolarHBondContact O-N 3.21Å |
| 140 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.9 | -38.7 | 179.6 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | I52 T54 L121 W123 N136 L137 A142 E143 V144 L173 | I52-V140 HydrophobicContact CD1-CG2 4.37Å; I52-V140 HydrophobicContact CG2-CG2 3.57Å; T54-V140 HydrophobicContact CG2-CG1 3.81Å; L121-V140 HydrophobicContact CD2-CG1 3.8Å; W123-V140 HydrophobicContact CB-CG1 4.07Å; W123-V140 HydrophobicContact CB-CG2 4.2Å; W123-V140 HydrophobicContact CD2-CG2 4.41Å; W123-V140 HydrophobicContact CE3-CG2 4.03Å; W123-V140 HydrophobicContact CG-CG1 4.26Å; N136-V140 WeakPolarHBondContact O-CG2 3.15Å; N136-V140 PolarHBondContact O-N 3.29Å; L137-V140 PolarHBondContact O-N 3.37Å; V140-A142 VanDerWaalsContact C-N 3.31Å; V140-A142 PolarHBondContact O-N 2.8Å; V140-E143 WeakPolarHBondContact O-CB 3.5Å; V140-E143 PolarHBondContact O-N 3.05Å; V140-E143 VanDerWaalsContact O-N 3.16Å; V140-V144 WeakPolarHBondContact O-CG2 3.41Å; V140-V144 PolarHBondContact O-N 3.19Å; V140-L173 HydrophobicContact CB-CD1 3.82Å; V140-L173 HydrophobicContact CB-CD2 4.39Å; V140-L173 HydrophobicContact CB-CG 4.13Å; V140-L173 HydrophobicContact CG1-CD1 3.63Å; V140-L173 HydrophobicContact CG1-CD2 4.07Å; V140-L173 HydrophobicContact CG1-CG 4.17Å |
| 141 | G | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L137 V144 A145 A177 | L137-G141 PolarHBondContact O-N 3.16Å; G141-V144 PolarHBondContact O-N 3.29Å; G141-A145 WeakPolarHBondContact O-CB 3.28Å; G141-A145 PolarHBondContact O-N 3.05Å; G141-A177 WeakPolarHBondContact O-CA 3.37Å; G141-A177 WeakPolarHBondContact O-CB 3.45Å |
| 142 | A | 98.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 4% | 0.041 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.8 | -37 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | L25 F28 R138 V139 V140 A145 Y146 | L25-A142 HydrophobicContact CB-CB 4Å; L25-A142 HydrophobicContact CD1-CB 4.34Å; L25-A142 HydrophobicContact CD2-CB 4.11Å; L25-A142 HydrophobicContact CG-CB 4.38Å; F28-A142 HydrophobicContact CE1-CB 4.42Å; F28-A142 HydrophobicContact CZ-CB 3.82Å; R138-A142 WeakPolarHBondContact O-CB 3.4Å; R138-A142 PolarHBondContact O-N 3.07Å; R138-A142 VanDerWaalsContact O-N 3.07Å; V139-A142 WeakPolarHBondContact O-CB 3.39Å; V139-A142 PolarHBondContact O-N 2.8Å; V140-A142 VanDerWaalsContact C-N 3.31Å; V140-A142 PolarHBondContact O-N 2.8Å; A142-A145 PolarHBondContact O-N 3.09Å; A142-Y146 VanDerWaalsContact O-CB 3.32Å; A142-Y146 WeakPolarHBondContact O-CB 3.43Å; A142-Y146 PolarHBondContact O-N 2.77Å |
| 143 | E | 98.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 173.3 | -73.6 | -72.7 | -174.7 | 0 | 0 | 112.1 | R24 L25 P49 T54 V139 V140 Y146 F147 | R24-E143 IonicContact CZ-OE1 3.75Å; R24-E143 IonicContact CZ-OE2 2.71Å; R24-E143 IonicContact NE-OE1 3.09Å; R24-E143 PolarHBondContact NE-OE1 3.03Å; R24-E143 IonicContact NE-OE2 2.93Å; R24-E143 PolarHBondContact NE-OE2 3.45Å; R24-E143 IonicContact NH2-OE1 3.86Å; R24-E143 PolarHBondContact NH2-OE1 2.76Å; R24-E143 IonicContact NH2-OE2 3.4Å; L25-E143 HydrophobicContact CD1-CG 3.87Å; L25-E143 HydrophobicContact CD2-CG 4.21Å; P49-E143 WeakPolarHBondContact CB-OE1 3.26Å; T54-E143 HydrophobicContact CG2-CB 4.31Å; V139-E143 WeakPolarHBondContact O-CG 3.46Å; V139-E143 PolarHBondContact O-N 3.21Å; V140-E143 WeakPolarHBondContact O-CB 3.5Å; V140-E143 PolarHBondContact O-N 3.05Å; V140-E143 VanDerWaalsContact O-N 3.16Å; E143-Y146 PolarHBondContact O-N 2.87Å; E143-F147 WeakPolarHBondContact O-CB 3.07Å; E143-F147 PolarHBondContact O-N 2.74Å |
| 144 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | F56 I91 L121 V140 G141 F147 I148 L164 L173 A177 | F56-V144 HydrophobicContact CE1-CG2 4.11Å; F56-V144 HydrophobicContact CZ-CG2 4.24Å; I91-V144 HydrophobicContact CD1-CG1 4.39Å; L121-V144 HydrophobicContact CD1-CG2 3.96Å; L121-V144 HydrophobicContact CD2-CG2 3.6Å; L121-V144 HydrophobicContact CG-CG2 4.46Å; V140-V144 WeakPolarHBondContact O-CG2 3.41Å; V140-V144 PolarHBondContact O-N 3.19Å; G141-V144 PolarHBondContact O-N 3.29Å; V144-F147 PolarHBondContact O-N 2.91Å; V144-I148 HydrophobicContact CG1-CD1 3.89Å; V144-I148 WeakPolarHBondContact O-CG1 3.38Å; V144-I148 PolarHBondContact O-N 3.42Å; V144-L164 HydrophobicContact CG1-CD1 4.4Å; V144-L164 HydrophobicContact CG1-CD2 4.15Å; V144-L173 HydrophobicContact CG2-CD2 4.12Å; V144-A177 HydrophobicContact CB-CB 3.84Å; V144-A177 HydrophobicContact CG1-CB 3.75Å |
| 145 | A | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G141 A142 I148 D149 R180 I181 | G141-A145 WeakPolarHBondContact O-CB 3.28Å; G141-A145 PolarHBondContact O-N 3.05Å; A142-A145 PolarHBondContact O-N 3.09Å; A145-I148 PolarHBondContact O-N 3.21Å; A145-D149 WeakPolarHBondContact O-CB 3.31Å; A145-D149 PolarHBondContact O-N 3.4Å; A145-R180 HydrophobicContact CB-CB 3.68Å; A145-I181 HydrophobicContact CB-CD1 4.11Å; A145-I181 HydrophobicContact CB-CG1 3.83Å |
| 146 | Y | 98.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 29.7 Ų | 29.7 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.9 | 179.5 | -107.5 | 0 | 0 | 0 | 112 | R24 A72 V73 A142 E143 I148 D149 V150 | R24-Y146 HydrophobicContact CB-CD2 4.43Å; R24-Y146 HydrophobicContact CB-CE2 4.15Å; A72-Y146 HydrophobicContact CB-CD1 3.57Å; A72-Y146 HydrophobicContact CB-CE1 3.54Å; V73-Y146 HydrophobicContact CG2-CE1 4.31Å; A142-Y146 VanDerWaalsContact O-CB 3.32Å; A142-Y146 WeakPolarHBondContact O-CB 3.43Å; A142-Y146 PolarHBondContact O-N 2.77Å; E143-Y146 PolarHBondContact O-N 2.87Å; Y146-I148 PolarHBondContact O-N 3.09Å; Y146-D149 PolarHBondContact O-N 3.4Å; Y146-V150 HydrophobicContact CE1-CG2 4.12Å; Y146-V150 HydrophobicContact CE2-CG2 4.2Å; Y146-V150 WeakPolarHBondContact O-CG2 3.09Å; Y146-V150 PolarHBondContact O-N 3.13Å |
| 147 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.7 | 175.7 | -93.7 | 0 | 0 | 0 | 112.2 | F56 I70 A72 I78 I119 E143 V144 V150 L151 | F56-F147 HydrophobicContact CB-CE2 4.47Å; F56-F147 HydrophobicContact CD1-CD1 4.06Å; F56-F147 HydrophobicContact CD1-CD2 4.11Å; F56-F147 HydrophobicContact CD1-CE1 4.33Å; F56-F147 HydrophobicContact CD1-CE2 4.38Å; F56-F147 AromaticContact CD1-CG 3.97Å; F56-F147 HydrophobicContact CD1-CG 3.97Å; F56-F147 HydrophobicContact CD1-CZ 4.5Å; F56-F147 HydrophobicContact CD2-CD2 4.19Å; F56-F147 HydrophobicContact CE1-CB 3.79Å; F56-F147 AromaticContact CE1-CD1 3.91Å; F56-F147 HydrophobicContact CE1-CD1 3.91Å; F56-F147 HydrophobicContact CE1-CD2 4.22Å; F56-F147 AromaticContact CE1-CG 3.71Å; F56-F147 HydrophobicContact CE1-CG 3.71Å; F56-F147 HydrophobicContact CE2-CB 4.16Å; F56-F147 HydrophobicContact CE2-CD2 4.32Å; F56-F147 HydrophobicContact CE2-CG 4.36Å; F56-F147 HydrophobicContact CG-CD2 4.1Å; F56-F147 HydrophobicContact CG-CE2 4.29Å; F56-F147 HydrophobicContact CG-CG 4.4Å; F56-F147 HydrophobicContact CZ-CB 3.6Å; F56-F147 HydrophobicContact CZ-CD2 4.34Å; F56-F147 AromaticContact CZ-CG 3.94Å; F56-F147 HydrophobicContact CZ-CG 3.94Å; I70-F147 HydrophobicContact CD1-CE2 3.82Å; I70-F147 HydrophobicContact CD1-CZ 3.55Å; I70-F147 HydrophobicContact CG1-CE2 4.01Å; I70-F147 HydrophobicContact CG1-CZ 4.22Å; A72-F147 HydrophobicContact CB-CB 4.07Å; A72-F147 HydrophobicContact CB-CD2 4.03Å; I78-F147 HydrophobicContact CD1-CE2 3.94Å; I78-F147 HydrophobicContact CG1-CE2 4.35Å; I119-F147 HydrophobicContact CD1-CE1 3.85Å; I119-F147 HydrophobicContact CD1-CZ 3.9Å; E143-F147 WeakPolarHBondContact O-CB 3.07Å; E143-F147 PolarHBondContact O-N 2.74Å; V144-F147 PolarHBondContact O-N 2.91Å; F147-V150 PolarHBondContact O-N 2.83Å; F147-L151 HydrophobicContact CD1-CD1 4.1Å; F147-L151 HydrophobicContact CE1-CD1 3.52Å; F147-L151 HydrophobicContact CE1-CG 4.15Å; F147-L151 HydrophobicContact CZ-CD1 4.02Å; F147-L151 HydrophobicContact CZ-CD2 4.4Å; F147-L151 HydrophobicContact CZ-CG 4.34Å; F147-L151 WeakPolarHBondContact O-CG 3.48Å; F147-L151 PolarHBondContact O-N 3.41Å; F147-L151 VanDerWaalsContact O-N 3.1Å |
| 148 | I | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 178.3 | -66.6 | 162.8 | 0 | 0 | 0 | 111.1 | I91 V144 A145 Y146 V150 L151 V152 P159 V162 L164 I181 L184 | I91-I148 HydrophobicContact CD1-CD1 4.46Å; V144-I148 HydrophobicContact CG1-CD1 3.89Å; V144-I148 WeakPolarHBondContact O-CG1 3.38Å; V144-I148 PolarHBondContact O-N 3.42Å; A145-I148 PolarHBondContact O-N 3.21Å; Y146-I148 PolarHBondContact O-N 3.09Å; I148-V150 VanDerWaalsContact C-N 3.31Å; I148-V150 PolarHBondContact O-N 3.31Å; I148-L151 WeakPolarHBondContact O-CB 3.15Å; I148-L151 PolarHBondContact O-N 2.79Å; I148-L151 VanDerWaalsContact O-N 3.12Å; I148-V152 HydrophobicContact CG2-CG2 4.45Å; I148-V152 VanDerWaalsContact O-CG2 3.32Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 3.45Å; I148-P159 HydrophobicContact CG2-CB 4.36Å; I148-V162 HydrophobicContact CD1-CG1 3.8Å; I148-V162 HydrophobicContact CD1-CG2 4.4Å; I148-V162 HydrophobicContact CG1-CG1 4.45Å; I148-V162 HydrophobicContact CG1-CG2 4.33Å; I148-V162 HydrophobicContact CG2-CG2 4.27Å; I148-L164 HydrophobicContact CD1-CD2 4.33Å; I148-I181 HydrophobicContact CB-CD1 4.16Å; I148-I181 HydrophobicContact CD1-CD1 3.44Å; I148-I181 VanDerWaalsContact CD1-CD1 3.44Å; I148-I181 HydrophobicContact CG1-CD1 4.38Å; I148-I181 HydrophobicContact CG2-CD1 4.32Å; I148-I181 HydrophobicContact CG2-CG2 4.04Å; I148-L184 HydrophobicContact CD1-CD1 4.49Å |
| 149 | D | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 32.7 Ų | 32.7 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 174.5 | -178.5 | 68.1 | 0 | 0 | 0 | 112.2 | A145 Y146 V152 K153 | A145-D149 WeakPolarHBondContact O-CB 3.31Å; A145-D149 PolarHBondContact O-N 3.4Å; Y146-D149 PolarHBondContact O-N 3.4Å; D149-V152 PolarHBondContact O-N 2.86Å; D149-K153 WeakPolarHBondContact O-CB 3.46Å; D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 2.89Å; D149-K153 WeakPolarHBondContact OD1-CE 3.42Å; D149-K153 IonicContact OD1-NZ 2.69Å; D149-K153 PolarHBondContact OD1-NZ 2.83Å; D149-K153 WeakPolarHBondContact OD2-CD 3.01Å; D149-K153 WeakPolarHBondContact OD2-CE 3.42Å; D149-K153 IonicContact OD2-NZ 2.77Å; D149-K153 PolarHBondContact OD2-NZ 3.29Å |
| 150 | V | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 173.3 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | A72 I78 Y146 F147 I148 V152 K154 F155 | A72-V150 HydrophobicContact CB-CB 4.24Å; A72-V150 HydrophobicContact CB-CG2 4.02Å; I78-V150 HydrophobicContact CD1-CG1 4.47Å; Y146-V150 HydrophobicContact CE1-CG2 4.12Å; Y146-V150 HydrophobicContact CE2-CG2 4.2Å; Y146-V150 WeakPolarHBondContact O-CG2 3.09Å; Y146-V150 PolarHBondContact O-N 3.13Å; F147-V150 PolarHBondContact O-N 2.83Å; I148-V150 VanDerWaalsContact C-N 3.31Å; I148-V150 PolarHBondContact O-N 3.31Å; V150-V152 VanDerWaalsContact C-N 3.33Å; V150-V152 PolarHBondContact O-N 3.01Å; V150-K154 HydrophobicContact CG1-CD 4.06Å; V150-K154 HydrophobicContact CG1-CG 4.31Å; V150-K154 WeakPolarHBondContact O-CB 3.49Å; V150-K154 PolarHBondContact O-N 2.75Å; V150-F155 HydrophobicContact CG1-CE2 4.35Å |
| 151 | L | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 173.7 | -66.4 | 179.1 | 0 | 0 | 0 | 111.6 | I78 F83 F147 I148 F155 G156 Y157 | I78-L151 HydrophobicContact CD1-CD2 4.07Å; I78-L151 HydrophobicContact CG2-CD2 4.06Å; F83-L151 HydrophobicContact CE1-CD2 3.89Å; F83-L151 HydrophobicContact CE2-CD1 4.16Å; F83-L151 HydrophobicContact CE2-CD2 4.31Å; F83-L151 HydrophobicContact CZ-CD1 3.73Å; F83-L151 HydrophobicContact CZ-CD2 3.76Å; F83-L151 HydrophobicContact CZ-CG 4.39Å; F147-L151 HydrophobicContact CD1-CD1 4.1Å; F147-L151 HydrophobicContact CE1-CD1 3.52Å; F147-L151 HydrophobicContact CE1-CG 4.15Å; F147-L151 HydrophobicContact CZ-CD1 4.02Å; F147-L151 HydrophobicContact CZ-CD2 4.4Å; F147-L151 HydrophobicContact CZ-CG 4.34Å; F147-L151 WeakPolarHBondContact O-CG 3.48Å; F147-L151 PolarHBondContact O-N 3.41Å; F147-L151 VanDerWaalsContact O-N 3.1Å; I148-L151 WeakPolarHBondContact O-CB 3.15Å; I148-L151 PolarHBondContact O-N 2.79Å; I148-L151 VanDerWaalsContact O-N 3.12Å; L151-F155 HydrophobicContact CD2-CD2 4.15Å; L151-F155 CarbonylContact O-C 3.2Å; L151-F155 WeakPolarHBondContact O-CA 3.45Å; L151-F155 VanDerWaalsContact O-CB 3.3Å; L151-F155 WeakPolarHBondContact O-CB 3.49Å; L151-F155 PolarHBondContact O-N 2.79Å; L151-G156 PolarHBondContact O-N 2.97Å; L151-Y157 HydrophobicContact CB-CD1 4.3Å; L151-Y157 HydrophobicContact CB-CG 4.26Å; L151-Y157 HydrophobicContact CD1-CD1 4.39Å; L151-Y157 WeakPolarHBondContact O-CB 3.47Å; L151-Y157 PolarHBondContact O-N 2.75Å; L151-Y157 VanDerWaalsContact O-N 3.14Å |
| 152 | V | 98.2 | Very high | 98.3 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -55.3 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | I148 D149 V150 G156 Y157 | I148-V152 HydrophobicContact CG2-CG2 4.45Å; I148-V152 VanDerWaalsContact O-CG2 3.32Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 3.45Å; D149-V152 PolarHBondContact O-N 2.86Å; V150-V152 VanDerWaalsContact C-N 3.33Å; V150-V152 PolarHBondContact O-N 3.01Å; V152-G156 WeakPolarHBondContact O-CA 2.99Å; V152-G156 PolarHBondContact O-N 2.85Å; V152-Y157 WeakPolarHBondContact CA-O 3.44Å; V152-Y157 VanDerWaalsContact CG2-O 3.32Å; V152-Y157 WeakPolarHBondContact CG2-O 3.34Å |
| 153 | K | 97.8 | Very high | 98.4 | Very high | 152 Ų | 152 | 39 Ų | 39 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -73.5 | -38 | -171 | -71.7 | 176 | 178.6 | 157.7 | 0 | 113.8 | D149 | D149-K153 WeakPolarHBondContact O-CB 3.46Å; D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 2.89Å; D149-K153 WeakPolarHBondContact OD1-CE 3.42Å; D149-K153 IonicContact OD1-NZ 2.69Å; D149-K153 PolarHBondContact OD1-NZ 2.83Å; D149-K153 WeakPolarHBondContact OD2-CD 3.01Å; D149-K153 WeakPolarHBondContact OD2-CE 3.42Å; D149-K153 IonicContact OD2-NZ 2.77Å; D149-K153 PolarHBondContact OD2-NZ 3.29Å |
| 154 | K | 98 | Very high | 98.4 | Very high | 125 Ų | 125 | 38.4 Ų | 38.4 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -99.2 | -24.7 | -174.3 | -61.1 | -164.5 | -173.6 | -177.3 | 0 | 114 | S75 V150 | S75-K154 WeakPolarHBondContact OG-CD 3.32Å; S75-K154 PolarHBondContact OG-NZ 3.38Å; V150-K154 HydrophobicContact CG1-CD 4.06Å; V150-K154 HydrophobicContact CG1-CG 4.31Å; V150-K154 WeakPolarHBondContact O-CB 3.49Å; V150-K154 PolarHBondContact O-N 2.75Å |
| 155 | F | 97.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -119.3 | 3.6 | -173.9 | -59.8 | -92.4 | 0 | 0 | 0 | 113.3 | I78 Q79 T85 V150 L151 Y157 | I78-F155 HydrophobicContact CB-CE1 4.32Å; I78-F155 HydrophobicContact CB-CE2 4.17Å; I78-F155 HydrophobicContact CB-CZ 3.72Å; I78-F155 HydrophobicContact CD1-CE2 4.02Å; I78-F155 HydrophobicContact CD1-CZ 4.42Å; I78-F155 HydrophobicContact CG2-CD1 4.46Å; I78-F155 HydrophobicContact CG2-CE1 3.93Å; I78-F155 HydrophobicContact CG2-CE2 4.04Å; I78-F155 HydrophobicContact CG2-CZ 3.7Å; Q79-F155 HydrophobicContact CB-CE1 4.19Å; T85-F155 HydrophobicContact CG2-CB 3.95Å; V150-F155 HydrophobicContact CG1-CE2 4.35Å; L151-F155 HydrophobicContact CD2-CD2 4.15Å; L151-F155 CarbonylContact O-C 3.2Å; L151-F155 WeakPolarHBondContact O-CA 3.45Å; L151-F155 VanDerWaalsContact O-CB 3.3Å; L151-F155 WeakPolarHBondContact O-CB 3.49Å; L151-F155 PolarHBondContact O-N 2.79Å; F155-Y157 PolarHBondContact O-N 3.25Å |
| 156 | G | 97.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 74% | 0.742 | 21% | 0.209 | S | C | * | . | trans | 62.1 | 23.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L151 V152 | L151-G156 PolarHBondContact O-N 2.97Å; V152-G156 WeakPolarHBondContact O-CA 2.99Å; V152-G156 PolarHBondContact O-N 2.85Å | ||
| 157 | Y | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | trans | -78.6 | 143.3 | -175.9 | -164.4 | -96.5 | 0 | 0 | 0 | 110.8 | F83 T85 K87 T89 L151 V152 F155 K161 V162 | F83-Y157 HydrophobicContact CE1-CD2 4.14Å; F83-Y157 HydrophobicContact CE1-CE2 4.22Å; F83-Y157 HydrophobicContact CZ-CD2 4.25Å; F83-Y157 HydrophobicContact CZ-CE2 4.06Å; T85-Y157 WeakPolarHBondContact O-CD2 3.36Å; T85-Y157 WeakPolarHBondContact O-CE2 3.31Å; K87-Y157 WeakPolarHBondContact O-CE2 3.46Å; K87-Y157 PolarHBondContact O-OH 2.74Å; T89-Y157 VanDerWaalsContact CB-OH 3.29Å; T89-Y157 WeakPolarHBondContact CB-OH 3.27Å; T89-Y157 PolarHBondContact N-OH 2.91Å; T89-Y157 PolarHBondContact OG1-OH 3.1Å; L151-Y157 HydrophobicContact CB-CD1 4.3Å; L151-Y157 HydrophobicContact CB-CG 4.26Å; L151-Y157 HydrophobicContact CD1-CD1 4.39Å; L151-Y157 WeakPolarHBondContact O-CB 3.47Å; L151-Y157 PolarHBondContact O-N 2.75Å; L151-Y157 VanDerWaalsContact O-N 3.14Å; V152-Y157 WeakPolarHBondContact CA-O 3.44Å; V152-Y157 VanDerWaalsContact CG2-O 3.32Å; V152-Y157 WeakPolarHBondContact CG2-O 3.34Å; F155-Y157 PolarHBondContact O-N 3.25Å; Y157-K161 HydrophobicContact CE1-CB 3.76Å; Y157-K161 HydrophobicContact CE2-CB 4.42Å; Y157-K161 HydrophobicContact CE2-CD 4.11Å; Y157-K161 VanDerWaalsContact OH-CB 3.27Å; Y157-K161 WeakPolarHBondContact OH-CB 3.34Å; Y157-K161 PolarHBondContact OH-O 3.35Å; Y157-K161 VanDerWaalsContact OH-O 3.13Å; Y157-V162 HydrophobicContact CD1-CG2 4.34Å; Y157-V162 HydrophobicContact CE1-CG2 3.67Å | ||
| 158 | S | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 36 Ų | 36 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | trans | -91.4 | 133 | 177.5 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | S160 K161 | S158-S160 PolarHBondContact O-N 3.25Å; S158-S160 PolarHBondContact OG-N 3.27Å; S158-S160 PolarHBondContact OG-OG 3.37Å; S158-K161 WeakPolarHBondContact O-CB 3.42Å; S158-K161 PolarHBondContact O-N 3.2Å | ||
| 159 | P | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.8 | -22.5 | 175.7 | 27.7 | -34 | 0 | 0 | 0 | 112.3 | I148 K161 V162 I181 G183 G185 | I148-P159 HydrophobicContact CG2-CB 4.36Å; P159-K161 PolarHBondContact O-N 2.81Å; P159-V162 WeakPolarHBondContact O-CB 3.45Å; P159-V162 PolarHBondContact O-N 3.19Å; P159-I181 HydrophobicContact CB-CG2 3.73Å; P159-G183 CarbonylContact C-O 3.56Å; P159-G185 PolarHBondContact O-N 2.9Å |
| 160 | S | 98.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 33.2 Ų | 33.2 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -63.2 | -20.3 | 174.1 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | S158 V162 G183 G185 | S158-S160 PolarHBondContact O-N 3.25Å; S158-S160 PolarHBondContact OG-N 3.27Å; S158-S160 PolarHBondContact OG-OG 3.37Å; S160-V162 VanDerWaalsContact C-N 3.31Å; S160-G183 WeakPolarHBondContact CA-O 3.45Å; S160-G183 PolarHBondContact N-O 3.3Å; S160-G185 WeakPolarHBondContact O-CA 3.46Å |
| 161 | K | 98.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 27% | 0.274 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -87 | 3 | 175.2 | -66 | -171.1 | 177.4 | -170.5 | 0 | 113.4 | T85 D86 I88 T89 Y157 S158 P159 | T85-K161 PolarHBondContact O-NZ 2.93Å; T85-K161 VanDerWaalsContact O-NZ 3.1Å; D86-K161 VanDerWaalsContact C-NZ 3.33Å; D86-K161 PolarHBondContact O-NZ 2.92Å; I88-K161 HydrophobicContact CD1-CB 3.83Å; I88-K161 HydrophobicContact CD1-CG 3.98Å; T89-K161 PolarHBondContact N-O 3.06Å; Y157-K161 HydrophobicContact CE1-CB 3.76Å; Y157-K161 HydrophobicContact CE2-CB 4.42Å; Y157-K161 HydrophobicContact CE2-CD 4.11Å; Y157-K161 VanDerWaalsContact OH-CB 3.27Å; Y157-K161 WeakPolarHBondContact OH-CB 3.34Å; Y157-K161 PolarHBondContact OH-O 3.35Å; Y157-K161 VanDerWaalsContact OH-O 3.13Å; S158-K161 WeakPolarHBondContact O-CB 3.42Å; S158-K161 PolarHBondContact O-N 3.2Å; P159-K161 PolarHBondContact O-N 2.81Å |
| 162 | V | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.7 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | T89 I91 I148 Y157 P159 S160 L164 L184 G185 R186 | T89-V162 WeakPolarHBondContact O-CA 3.31Å; I91-V162 HydrophobicContact CD1-CG1 4.4Å; I148-V162 HydrophobicContact CD1-CG1 3.8Å; I148-V162 HydrophobicContact CD1-CG2 4.4Å; I148-V162 HydrophobicContact CG1-CG1 4.45Å; I148-V162 HydrophobicContact CG1-CG2 4.33Å; I148-V162 HydrophobicContact CG2-CG2 4.27Å; Y157-V162 HydrophobicContact CD1-CG2 4.34Å; Y157-V162 HydrophobicContact CE1-CG2 3.67Å; P159-V162 WeakPolarHBondContact O-CB 3.45Å; P159-V162 PolarHBondContact O-N 3.19Å; S160-V162 VanDerWaalsContact C-N 3.31Å; V162-L164 HydrophobicContact CG1-CD2 3.7Å; V162-L164 HydrophobicContact CG1-CG 4.36Å; V162-L184 HydrophobicContact CB-CD1 3.69Å; V162-L184 HydrophobicContact CG1-CD1 3.81Å; V162-G185 WeakPolarHBondContact O-CA 3.47Å; V162-G185 PolarHBondContact O-N 2.92Å; V162-R186 PolarHBondContact O-N 3.48Å; V162-R186 VanDerWaalsContact O-N 3.09Å |
| 163 | H | 98.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 115.5 | 172.2 | 178.3 | -175.7 | 0 | 0 | 0 | 109.7 | T89 R90 I91 R186 T188 Y286 | T89-H163 PolarHBondContact O-N 3.23Å; R90-H163 CarbonylContact C-O 3.25Å; R90-H163 VanDerWaalsContact CA-O 3.29Å; R90-H163 WeakPolarHBondContact CA-O 3.3Å; R90-H163 HydrophobicContact CG-CB 4.18Å; I91-H163 PolarHBondContact N-O 3.38Å; H163-R186 CarbonylContact C-O 3.5Å; H163-R186 VanDerWaalsContact CA-O 3.26Å; H163-R186 WeakPolarHBondContact CA-O 3.32Å; H163-R186 HydrophobicContact CB-CB 4.24Å; H163-R186 PolarHBondContact CD2-O 3.37Å; H163-T188 PolarHBondContact NE2-OG1 3.21Å; H163-Y286 PolarHBondContact CE1-OH 2.93Å |
| 164 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.8 | 175.2 | -50.6 | -177.5 | 0 | 0 | 0 | 109.4 | I91 I93 V144 I148 V162 A174 A177 L184 R186 I187 T188 | I91-L164 HydrophobicContact CB-CD2 3.81Å; I91-L164 HydrophobicContact CD1-CD2 3.79Å; I91-L164 HydrophobicContact CG1-CD2 3.96Å; I93-L164 HydrophobicContact CD1-CB 4.1Å; I93-L164 HydrophobicContact CD1-CD2 4.44Å; V144-L164 HydrophobicContact CG1-CD1 4.4Å; V144-L164 HydrophobicContact CG1-CD2 4.15Å; I148-L164 HydrophobicContact CD1-CD2 4.33Å; V162-L164 HydrophobicContact CG1-CD2 3.7Å; V162-L164 HydrophobicContact CG1-CG 4.36Å; L164-A174 HydrophobicContact CB-CB 3.85Å; L164-A174 HydrophobicContact CD1-CB 4.18Å; L164-A177 HydrophobicContact CD1-CB 3.9Å; L164-L184 HydrophobicContact CD1-CD2 3.72Å; L164-L184 HydrophobicContact CG-CD1 4.47Å; L164-L184 HydrophobicContact CG-CD2 4.11Å; L164-R186 PolarHBondContact N-O 3.32Å; L164-I187 HydrophobicContact CB-CG1 4.18Å; L164-I187 HydrophobicContact CD1-CG1 4.37Å; L164-I187 CarbonylContact O-C 3.58Å; L164-I187 VanDerWaalsContact O-CA 3.31Å; L164-I187 WeakPolarHBondContact O-CA 3.32Å; L164-T188 PolarHBondContact O-N 3.36Å |
| 165 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 101 | 178.9 | -59 | 169.9 | 0 | 0 | 0 | 107.2 | R90 I91 N92 I93 L190 Y286 | R90-I165 HydrophobicContact CB-CD1 4.44Å; I91-I165 PolarHBondContact O-N 3.14Å; N92-I165 CarbonylContact C-O 3.45Å; N92-I165 WeakPolarHBondContact CA-O 3.32Å; I93-I165 PolarHBondContact N-O 3.13Å; I165-L190 HydrophobicContact CG2-CD1 3.47Å; I165-L190 VanDerWaalsContact CG2-CD1 3.47Å; I165-L190 HydrophobicContact CG2-CG 4.12Å; I165-Y286 HydrophobicContact CD1-CE1 3.98Å |
| 166 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G170 A171 T188 L190 | G166-G170 VanDerWaalsContact CA-C 3.48Å; G166-G170 WeakPolarHBondContact CA-O 3.45Å; G166-A171 WeakPolarHBondContact O-CB 3.44Å; G166-T188 PolarHBondContact N-O 3.23Å; G166-L190 PolarHBondContact O-N 3.05Å |
| 167 | H | 98.1 | Very high | 98.2 | Very high | 12 Ų | 12 | 12.3 Ų | 12.3 | 6% | 0.056 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139 | 173.9 | 175.9 | -109.2 | 0 | 0 | 0 | 111.3 | I93 G95 W102 L169 G170 L190 H279 S282 H283 | I93-H167 PolarHBondContact O-N 2.88Å; I93-H167 VanDerWaalsContact O-N 3.12Å; G95-H167 VanDerWaalsContact CA-O 3.32Å; G95-H167 WeakPolarHBondContact CA-O 3.37Å; G95-H167 PolarHBondContact N-O 2.77Å; W102-H167 HydrophobicContact CH2-CB 4.04Å; W102-H167 HydrophobicContact CZ2-CB 3.49Å; W102-H167 VanDerWaalsContact CZ2-CB 3.49Å; H167-L169 PolarHBondContact O-N 3.04Å; H167-G170 VanDerWaalsContact O-CA 3.28Å; H167-G170 WeakPolarHBondContact O-CA 3.35Å; H167-G170 PolarHBondContact O-N 2.96Å; H167-L190 WeakPolarHBondContact CA-O 3.48Å; H167-L190 HydrophobicContact CB-CB 4.14Å; H167-L190 PolarHBondContact CD2-O 3.04Å; H167-H279 AromaticContact CE1-CD2 3.62Å; H167-H279 AromaticContact CE1-NE2 3.78Å; H167-H279 AromaticContact NE2-CD2 3.81Å; H167-H279 AromaticContact NE2-CG 3.85Å; H167-H279 AromaticContact NE2-ND1 3.98Å; H167-H279 AromaticContact NE2-NE2 3.93Å; H167-H279 PolarHBondContact NE2-O 2.94Å; H167-S282 PolarHBondContact CD2-OG 3.32Å; H167-H283 AromaticContact CD2-CD2 3.81Å; H167-H283 AromaticContact NE2-CD2 3.79Å |
| 168 | S | 96.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 12.2 Ų | 12.2 | 7% | 0.07 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -127 | 176.1 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | G170 A171 L190 A193 H279 | S168-G170 PolarHBondContact O-N 3.35Å; S168-A171 WeakPolarHBondContact O-CB 3.48Å; S168-A171 PolarHBondContact O-N 3.12Å; S168-A171 VanDerWaalsContact O-N 3.09Å; S168-L190 PolarHBondContact N-O 3.16Å; S168-A193 PolarHBondContact O-N 2.89Å; S168-H279 WeakPolarHBondContact CB-NE2 3.49Å; S168-H279 PolarHBondContact OG-CE1 3.46Å; S168-H279 PolarHBondContact OG-NE2 2.85Å |
| 169 | L | 96.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -54.8 | -30.3 | 169.8 | -69.9 | -176.9 | 0 | 0 | 0 | 113.2 | W96 W123 Y130 A133 V134 L137 H167 A171 H172 L173 A193 F197 | W96-L169 HydrophobicContact CB-CD1 3.81Å; W96-L169 HydrophobicContact CB-CG 4.36Å; W123-L169 HydrophobicContact CH2-CB 4.41Å; W123-L169 HydrophobicContact CH2-CD1 4.36Å; W123-L169 HydrophobicContact CZ2-CB 4.44Å; Y130-L169 HydrophobicContact CD2-CD1 4.07Å; Y130-L169 HydrophobicContact CE2-CD1 3.9Å; Y130-L169 HydrophobicContact CE2-CD2 3.95Å; Y130-L169 HydrophobicContact CE2-CG 4.02Å; A133-L169 HydrophobicContact CB-CD1 3.57Å; V134-L169 HydrophobicContact CG2-CD2 3.98Å; L137-L169 HydrophobicContact CD1-CB 4.42Å; L137-L169 HydrophobicContact CD1-CD2 4.43Å; L137-L169 HydrophobicContact CD2-CB 4.25Å; H167-L169 PolarHBondContact O-N 3.04Å; L169-A171 PolarHBondContact O-N 3.37Å; L169-H172 PolarHBondContact O-N 2.91Å; L169-H172 VanDerWaalsContact O-N 3.15Å; L169-L173 PolarHBondContact O-N 3.01Å; L169-A193 HydrophobicContact CD2-CB 3.84Å; L169-A193 HydrophobicContact CG-CB 4.35Å; L169-F197 HydrophobicContact CD2-CD2 4.44Å; L169-F197 HydrophobicContact CD2-CE2 3.47Å; L169-F197 VanDerWaalsContact CD2-CE2 3.47Å; L169-F197 HydrophobicContact CD2-CZ 4.1Å |
| 170 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -24.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A94 G166 H167 S168 L173 A174 | A94-G170 VanDerWaalsContact O-CA 3.31Å; A94-G170 WeakPolarHBondContact O-CA 3.49Å; G166-G170 VanDerWaalsContact CA-C 3.48Å; G166-G170 WeakPolarHBondContact CA-O 3.45Å; H167-G170 VanDerWaalsContact O-CA 3.28Å; H167-G170 WeakPolarHBondContact O-CA 3.35Å; H167-G170 PolarHBondContact O-N 2.96Å; S168-G170 PolarHBondContact O-N 3.35Å; G170-L173 WeakPolarHBondContact O-CB 3.43Å; G170-L173 PolarHBondContact O-N 2.61Å; G170-A174 WeakPolarHBondContact O-CB 3.42Å; G170-A174 PolarHBondContact O-N 2.9Å |
| 171 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G166 S168 L169 A174 G175 P192 L206 | G166-A171 WeakPolarHBondContact O-CB 3.44Å; S168-A171 WeakPolarHBondContact O-CB 3.48Å; S168-A171 PolarHBondContact O-N 3.12Å; S168-A171 VanDerWaalsContact O-N 3.09Å; L169-A171 PolarHBondContact O-N 3.37Å; A171-A174 WeakPolarHBondContact O-CB 3.31Å; A171-A174 PolarHBondContact O-N 3.02Å; A171-G175 PolarHBondContact O-N 3.39Å; A171-P192 HydrophobicContact CB-CB 3.62Å; A171-P192 HydrophobicContact CB-CG 3.73Å; A171-L206 HydrophobicContact CB-CD2 4.36Å |
| 172 | H | 98.2 | Very high | 98.1 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -73 | -33.2 | 175.1 | -59.6 | -46.3 | 0 | 0 | 0 | 112.1 | L137 L169 A174 G175 E176 A193 F197 L206 | L137-H172 HydrophobicContact CD1-CB 3.77Å; L169-H172 PolarHBondContact O-N 2.91Å; L169-H172 VanDerWaalsContact O-N 3.15Å; H172-A174 VanDerWaalsContact C-N 3.3Å; H172-A174 PolarHBondContact O-N 3.04Å; H172-G175 PolarHBondContact O-N 2.82Å; H172-E176 WeakPolarHBondContact O-CB 3.49Å; H172-E176 PolarHBondContact O-N 3.49Å; H172-A193 PolarHBondContact NE2-N 3.39Å; H172-A193 PolarHBondContact NE2-O 3.45Å; H172-F197 HydrophobicContact CB-CD1 4.03Å; H172-F197 HydrophobicContact CB-CE1 3.65Å; H172-F197 HydrophobicContact CB-CZ 4.01Å; H172-F197 AromaticContact CD2-CD1 3.48Å; H172-F197 VanDerWaalsContact CD2-CD1 3.48Å; H172-F197 WeakPolarHBondContact CD2-CD1 3.31Å; H172-F197 AromaticContact CD2-CD2 3.25Å; H172-F197 WeakPolarHBondContact CD2-CD2 3.23Å; H172-F197 AromaticContact CD2-CE1 3.7Å; H172-F197 AromaticContact CD2-CE2 3.52Å; H172-F197 AromaticContact CD2-CG 3.26Å; H172-F197 WeakPolarHBondContact CD2-CG 3.44Å; H172-F197 AromaticContact CD2-CZ 3.74Å; H172-F197 AromaticContact CE1-CG 3.89Å; H172-F197 AromaticContact CG-CD1 3.51Å; H172-F197 AromaticContact CG-CE1 3.64Å; H172-F197 AromaticContact CG-CG 3.79Å; H172-F197 AromaticContact ND1-CD1 3.94Å; H172-F197 AromaticContact NE2-CD1 3.91Å; H172-F197 AromaticContact NE2-CD2 3.57Å; H172-F197 AromaticContact NE2-CG 3.37Å; H172-F197 WeakPolarHBondContact NE2-CG 3.48Å; H172-L206 PolarHBondContact ND1-N 3.41Å; H172-L206 VanDerWaalsContact ND1-N 3.11Å |
| 173 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 169.5 | -163.6 | 167.5 | 0 | 0 | 0 | 111.1 | I93 L121 W123 L137 V140 V144 L169 G170 G175 E176 A177 | I93-L173 HydrophobicContact CD1-CD2 4.13Å; I93-L173 HydrophobicContact CG2-CB 4.05Å; I93-L173 HydrophobicContact CG2-CD1 3.68Å; I93-L173 HydrophobicContact CG2-CD2 3.88Å; I93-L173 HydrophobicContact CG2-CG 4.1Å; L121-L173 HydrophobicContact CD2-CD1 4.37Å; L121-L173 HydrophobicContact CD2-CD2 4.07Å; W123-L173 HydrophobicContact CD2-CD1 4.06Å; W123-L173 HydrophobicContact CG-CD1 4.39Å; W123-L173 HydrophobicContact CZ2-CD1 4.09Å; L137-L173 HydrophobicContact CD2-CB 4.09Å; L137-L173 HydrophobicContact CD2-CD1 4.1Å; L137-L173 HydrophobicContact CD2-CG 4.36Å; V140-L173 HydrophobicContact CB-CD1 3.82Å; V140-L173 HydrophobicContact CB-CD2 4.39Å; V140-L173 HydrophobicContact CB-CG 4.13Å; V140-L173 HydrophobicContact CG1-CD1 3.63Å; V140-L173 HydrophobicContact CG1-CD2 4.07Å; V140-L173 HydrophobicContact CG1-CG 4.17Å; V144-L173 HydrophobicContact CG2-CD2 4.12Å; L169-L173 PolarHBondContact O-N 3.01Å; G170-L173 WeakPolarHBondContact O-CB 3.43Å; G170-L173 PolarHBondContact O-N 2.61Å; L173-G175 VanDerWaalsContact C-N 3.35Å; L173-E176 PolarHBondContact O-N 2.88Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.45Å |
| 174 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I93 L164 G170 A171 H172 A177 G178 I187 | I93-A174 HydrophobicContact CD1-CB 4.02Å; L164-A174 HydrophobicContact CB-CB 3.85Å; L164-A174 HydrophobicContact CD1-CB 4.18Å; G170-A174 WeakPolarHBondContact O-CB 3.42Å; G170-A174 PolarHBondContact O-N 2.9Å; A171-A174 WeakPolarHBondContact O-CB 3.31Å; A171-A174 PolarHBondContact O-N 3.02Å; H172-A174 VanDerWaalsContact C-N 3.3Å; H172-A174 PolarHBondContact O-N 3.04Å; A174-A177 PolarHBondContact O-N 3.09Å; A174-G178 PolarHBondContact O-N 3.27Å; A174-I187 HydrophobicContact CB-CG1 4.46Å; A174-I187 HydrophobicContact CB-CG2 3.73Å; A174-I187 WeakPolarHBondContact O-CD1 3.31Å |
| 175 | G | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A171 H172 L173 A177 G178 S179 D210 | A171-G175 PolarHBondContact O-N 3.39Å; H172-G175 PolarHBondContact O-N 2.82Å; L173-G175 VanDerWaalsContact C-N 3.35Å; G175-A177 VanDerWaalsContact C-N 3.32Å; G175-A177 PolarHBondContact O-N 3.13Å; G175-G178 PolarHBondContact O-N 2.84Å; G175-G178 VanDerWaalsContact O-N 3.12Å; G175-S179 PolarHBondContact O-N 2.93Å; G175-D210 VanDerWaalsContact CA-OD2 3.23Å; G175-D210 WeakPolarHBondContact CA-OD2 3.43Å |
| 176 | E | 97.9 | Very high | 98 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.5 | -44.7 | 175.1 | 175.8 | 67.7 | -157.5 | 0 | 0 | 111.8 | W34 H172 L173 S179 R180 | W34-E176 WeakPolarHBondContact CH2-OE2 3.39Å; H172-E176 WeakPolarHBondContact O-CB 3.49Å; H172-E176 PolarHBondContact O-N 3.49Å; L173-E176 PolarHBondContact O-N 2.88Å; E176-S179 PolarHBondContact O-OG 2.81Å; E176-R180 WeakPolarHBondContact O-CD 3.37Å; E176-R180 WeakPolarHBondContact O-CG 3.4Å; E176-R180 IonicContact OE1-CZ 3.61Å; E176-R180 IonicContact OE1-NE 2.72Å; E176-R180 PolarHBondContact OE1-NE 2.73Å; E176-R180 IonicContact OE1-NH2 3.23Å; E176-R180 PolarHBondContact OE1-NH2 3.02Å |
| 177 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G141 V144 L164 L173 A174 G175 S179 R180 I181 | G141-A177 WeakPolarHBondContact O-CA 3.37Å; G141-A177 WeakPolarHBondContact O-CB 3.45Å; V144-A177 HydrophobicContact CB-CB 3.84Å; V144-A177 HydrophobicContact CG1-CB 3.75Å; L164-A177 HydrophobicContact CD1-CB 3.9Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.45Å; A174-A177 PolarHBondContact O-N 3.09Å; G175-A177 VanDerWaalsContact C-N 3.32Å; G175-A177 PolarHBondContact O-N 3.13Å; A177-S179 PolarHBondContact O-N 2.82Å; A177-R180 WeakPolarHBondContact O-CB 3.36Å; A177-R180 PolarHBondContact O-N 3.26Å; A177-R180 VanDerWaalsContact O-N 3.13Å; A177-I181 VanDerWaalsContact O-CD1 3.25Å; A177-I181 WeakPolarHBondContact O-CD1 3.45Å; A177-I181 VanDerWaalsContact O-CG1 3.26Å; A177-I181 WeakPolarHBondContact O-CG1 3.44Å |
| 178 | G | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | A174 G175 R180 I181 L184 D210 | A174-G178 PolarHBondContact O-N 3.27Å; G175-G178 PolarHBondContact O-N 2.84Å; G175-G178 VanDerWaalsContact O-N 3.12Å; G178-R180 PolarHBondContact O-N 3.01Å; G178-I181 PolarHBondContact O-N 2.87Å; G178-L184 VanDerWaalsContact CA-CD2 3.49Å; G178-D210 CarbonylContact C-O 3.55Å; G178-D210 WeakPolarHBondContact CA-O 3.44Å |
| 179 | S | 97.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 18.6 Ų | 18.6 | 50% | 0.497 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -57.4 | -22.2 | 175.7 | 76.7 | 0 | 0 | 0 | 0 | 113.6 | G175 E176 A177 | G175-S179 PolarHBondContact O-N 2.93Å; E176-S179 PolarHBondContact O-OG 2.81Å; A177-S179 PolarHBondContact O-N 2.82Å |
| 180 | R | 97.6 | Very high | 98.3 | Very high | 99 Ų | 99 | 18.6 Ų | 18.6 | 37% | 0.374 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.2 | 179.4 | -61.4 | 166.5 | 177.2 | -90.6 | -1.2 | 113.2 | A145 E176 A177 G178 | A145-R180 HydrophobicContact CB-CB 3.68Å; E176-R180 WeakPolarHBondContact O-CD 3.37Å; E176-R180 WeakPolarHBondContact O-CG 3.4Å; E176-R180 IonicContact OE1-CZ 3.61Å; E176-R180 IonicContact OE1-NE 2.72Å; E176-R180 PolarHBondContact OE1-NE 2.73Å; E176-R180 IonicContact OE1-NH2 3.23Å; E176-R180 PolarHBondContact OE1-NH2 3.02Å; A177-R180 WeakPolarHBondContact O-CB 3.36Å; A177-R180 PolarHBondContact O-N 3.26Å; A177-R180 VanDerWaalsContact O-N 3.13Å; G178-R180 PolarHBondContact O-N 3.01Å |
| 181 | I | 97.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 18.6 Ų | 18.6 | 8% | 0.082 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -123.5 | 94.7 | -172.4 | -54.3 | 158.8 | 0 | 0 | 0 | 109.7 | A145 I148 P159 A177 G178 G183 L184 | A145-I181 HydrophobicContact CB-CD1 4.11Å; A145-I181 HydrophobicContact CB-CG1 3.83Å; I148-I181 HydrophobicContact CB-CD1 4.16Å; I148-I181 HydrophobicContact CD1-CD1 3.44Å; I148-I181 VanDerWaalsContact CD1-CD1 3.44Å; I148-I181 HydrophobicContact CG1-CD1 4.38Å; I148-I181 HydrophobicContact CG2-CD1 4.32Å; I148-I181 HydrophobicContact CG2-CG2 4.04Å; P159-I181 HydrophobicContact CB-CG2 3.73Å; A177-I181 VanDerWaalsContact O-CD1 3.25Å; A177-I181 WeakPolarHBondContact O-CD1 3.45Å; A177-I181 VanDerWaalsContact O-CG1 3.26Å; A177-I181 WeakPolarHBondContact O-CG1 3.44Å; G178-I181 PolarHBondContact O-N 2.87Å; I181-G183 PolarHBondContact O-N 2.84Å; I181-L184 HydrophobicContact CB-CB 4.3Å; I181-L184 HydrophobicContact CD1-CD1 4.38Å; I181-L184 HydrophobicContact CG2-CB 4.18Å; I181-L184 HydrophobicContact CG2-CD1 4.49Å; I181-L184 PolarHBondContact O-N 3.43Å |
| 182 | P | 96.9 | Very high | 98.2 | Very high | 116 Ų | 116 | 18.6 Ų | 18.6 | 75% | 0.753 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 129.1 | 173.2 | -25.3 | 34.9 | 0 | 0 | 0 | 111.8 | ||
| 183 | G | 97.2 | Very high | 98 | Very high | 33 Ų | 33 | 18.3 Ų | 18.3 | 34% | 0.34 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 19.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P159 S160 I181 G185 N212 | P159-G183 CarbonylContact C-O 3.56Å; S160-G183 WeakPolarHBondContact CA-O 3.45Å; S160-G183 PolarHBondContact N-O 3.3Å; I181-G183 PolarHBondContact O-N 2.84Å; G183-G185 PolarHBondContact O-N 3.47Å; G183-N212 PolarHBondContact O-ND2 3.26Å |
| 184 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | -51.6 | 132.8 | 170.5 | -178.9 | 66.9 | 0 | 0 | 0 | 110.7 | I148 V162 L164 G178 I181 I187 A211 N212 | I148-L184 HydrophobicContact CD1-CD1 4.49Å; V162-L184 HydrophobicContact CB-CD1 3.69Å; V162-L184 HydrophobicContact CG1-CD1 3.81Å; L164-L184 HydrophobicContact CD1-CD2 3.72Å; L164-L184 HydrophobicContact CG-CD1 4.47Å; L164-L184 HydrophobicContact CG-CD2 4.11Å; G178-L184 VanDerWaalsContact CA-CD2 3.49Å; I181-L184 HydrophobicContact CB-CB 4.3Å; I181-L184 HydrophobicContact CD1-CD1 4.38Å; I181-L184 HydrophobicContact CG2-CB 4.18Å; I181-L184 HydrophobicContact CG2-CD1 4.49Å; I181-L184 PolarHBondContact O-N 3.43Å; L184-I187 HydrophobicContact CD2-CD1 3.8Å; L184-I187 HydrophobicContact CD2-CG1 3.72Å; L184-A211 HydrophobicContact CB-CB 4.23Å; L184-A211 HydrophobicContact CD2-CB 4.06Å; L184-A211 HydrophobicContact CG-CB 4.13Å; L184-N212 WeakPolarHBondContact O-CB 3Å; L184-N212 VanDerWaalsContact O-CG 3.23Å; L184-N212 PolarHBondContact O-N 3.27Å; L184-N212 PolarHBondContact O-ND2 3.08Å | ||
| 185 | G | 98.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 19.5 Ų | 19.5 | 14% | 0.144 | 12% | 0.121 | C | C | . | . | trans | -62.7 | -62.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P159 S160 V162 G183 F213 | P159-G185 PolarHBondContact O-N 2.9Å; S160-G185 WeakPolarHBondContact O-CA 3.46Å; V162-G185 WeakPolarHBondContact O-CA 3.47Å; V162-G185 PolarHBondContact O-N 2.92Å; G183-G185 PolarHBondContact O-N 3.47Å; G185-F213 PolarHBondContact O-N 3.06Å | ||
| 186 | R | 98.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 22 Ų | 22 | 6% | 0.057 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 145.5 | -175.4 | -175.1 | 176.3 | 174.8 | -172.6 | -5.7 | 112.7 | V162 H163 L164 T188 F213 D215 G324 H325 D328 | V162-R186 PolarHBondContact O-N 3.48Å; V162-R186 VanDerWaalsContact O-N 3.09Å; H163-R186 CarbonylContact C-O 3.5Å; H163-R186 VanDerWaalsContact CA-O 3.26Å; H163-R186 WeakPolarHBondContact CA-O 3.32Å; H163-R186 HydrophobicContact CB-CB 4.24Å; H163-R186 PolarHBondContact CD2-O 3.37Å; L164-R186 PolarHBondContact N-O 3.32Å; R186-T188 PolarHBondContact NE-OG1 3.04Å; R186-F213 CarbonylContact C-O 3.57Å; R186-F213 WeakPolarHBondContact CA-O 3.44Å; R186-F213 HydrophobicContact CG-CD1 3.78Å; R186-F213 HydrophobicContact CG-CE1 4.45Å; R186-D215 IonicContact CZ-OD1 3.92Å; R186-D215 IonicContact CZ-OD2 3.25Å; R186-D215 IonicContact NE-OD1 3.79Å; R186-D215 PolarHBondContact NE-OD1 2.84Å; R186-D215 IonicContact NE-OD2 3.16Å; R186-D215 IonicContact NH2-OD1 2.66Å; R186-D215 PolarHBondContact NH2-OD1 2.87Å; R186-D215 VanDerWaalsContact NH2-OD1 3.09Å; R186-D215 IonicContact NH2-OD2 2.92Å; R186-D215 PolarHBondContact NH2-OD2 3.07Å; R186-G324 PolarHBondContact NH2-O 2.86Å; R186-H325 PolarHBondContact NH1-O 3.45Å; R186-D328 IonicContact NH1-OD1 3.19Å; R186-D328 PolarHBondContact NH1-OD1 3.31Å |
| 187 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.8 | 161.6 | -64.8 | 163.7 | 0 | 0 | 0 | 108.8 | L164 A174 L184 L206 D210 A211 F213 V214 D215 | L164-I187 HydrophobicContact CB-CG1 4.18Å; L164-I187 HydrophobicContact CD1-CG1 4.37Å; L164-I187 CarbonylContact O-C 3.58Å; L164-I187 VanDerWaalsContact O-CA 3.31Å; L164-I187 WeakPolarHBondContact O-CA 3.32Å; A174-I187 HydrophobicContact CB-CG1 4.46Å; A174-I187 HydrophobicContact CB-CG2 3.73Å; A174-I187 WeakPolarHBondContact O-CD1 3.31Å; L184-I187 HydrophobicContact CD2-CD1 3.8Å; L184-I187 HydrophobicContact CD2-CG1 3.72Å; I187-L206 HydrophobicContact CB-CD1 4.4Å; I187-L206 HydrophobicContact CD1-CD1 4.17Å; I187-L206 HydrophobicContact CG2-CD1 3.67Å; I187-L206 HydrophobicContact CG2-CD2 4.36Å; I187-D210 HydrophobicContact CD1-CB 3.61Å; I187-A211 HydrophobicContact CB-CB 4.37Å; I187-A211 HydrophobicContact CD1-CB 3.87Å; I187-A211 HydrophobicContact CG1-CB 3.84Å; I187-F213 PolarHBondContact N-O 2.87Å; I187-V214 HydrophobicContact CB-CG1 4.34Å; I187-V214 HydrophobicContact CB-CG2 4.27Å; I187-V214 HydrophobicContact CG2-CG1 4.49Å; I187-V214 VanDerWaalsContact O-CA 3.25Å; I187-V214 WeakPolarHBondContact O-CA 3.42Å; I187-D215 PolarHBondContact O-N 3.05Å |
| 188 | T | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.2 | 164 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | H163 L164 G166 R186 L190 D215 Y286 | H163-T188 PolarHBondContact NE2-OG1 3.21Å; L164-T188 PolarHBondContact O-N 3.36Å; G166-T188 PolarHBondContact N-O 3.23Å; R186-T188 PolarHBondContact NE-OG1 3.04Å; T188-L190 HydrophobicContact CG2-CD2 3.75Å; T188-L190 HydrophobicContact CG2-CG 4.3Å; T188-D215 CarbonylContact C-O 3.57Å; T188-D215 WeakPolarHBondContact CA-O 3.46Å; T188-D215 PolarHBondContact OG1-OD1 3.3Å; T188-D215 PolarHBondContact OG1-OD2 2.92Å; T188-Y286 HydrophobicContact CG2-CD2 3.9Å; T188-Y286 HydrophobicContact CG2-CE2 3.65Å |
| 189 | G | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 114.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D215 V216 I217 | G189-D215 PolarHBondContact N-O 3.48Å; G189-V216 CarbonylContact O-C 3.53Å; G189-V216 VanDerWaalsContact O-CA 3.3Å; G189-V216 WeakPolarHBondContact O-CA 3.33Å; G189-I217 PolarHBondContact O-N 3.2Å |
| 190 | L | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 98.8 | 176.7 | -56.8 | 176.6 | 0 | 0 | 0 | 108.5 | W102 I165 G166 H167 S168 T188 I217 H283 Y286 | W102-L190 HydrophobicContact CZ3-CD1 4.36Å; I165-L190 HydrophobicContact CG2-CD1 3.47Å; I165-L190 VanDerWaalsContact CG2-CD1 3.47Å; I165-L190 HydrophobicContact CG2-CG 4.12Å; G166-L190 PolarHBondContact O-N 3.05Å; H167-L190 WeakPolarHBondContact CA-O 3.48Å; H167-L190 HydrophobicContact CB-CB 4.14Å; H167-L190 PolarHBondContact CD2-O 3.04Å; S168-L190 PolarHBondContact N-O 3.16Å; T188-L190 HydrophobicContact CG2-CD2 3.75Å; T188-L190 HydrophobicContact CG2-CG 4.3Å; L190-I217 HydrophobicContact CD2-CD1 3.91Å; L190-I217 HydrophobicContact CD2-CG1 4.35Å; L190-H283 HydrophobicContact CD1-CB 3.76Å; L190-Y286 HydrophobicContact CD2-CD2 3.74Å; L190-Y286 HydrophobicContact CD2-CG 3.99Å |
| 191 | D | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 44.4 | 66.2 | -174.4 | -155.6 | 45.2 | 0 | 0 | 0 | 112.6 | A193 I217 T219 N220 H279 | D191-A193 PolarHBondContact O-N 3.49Å; D191-I217 VanDerWaalsContact CA-O 3.22Å; D191-I217 WeakPolarHBondContact CA-O 3.26Å; D191-I217 PolarHBondContact N-O 3.08Å; D191-T219 PolarHBondContact OD1-N 3.1Å; D191-N220 PolarHBondContact OD1-N 2.8Å; D191-N220 WeakPolarHBondContact OD2-CB 3.4Å; D191-N220 PolarHBondContact OD2-N 2.91Å; D191-H279 PolarHBondContact O-CE1 3.17Å; D191-H279 IonicContact OD2-CE1 3.54Å; D191-H279 IonicContact OD2-CG 2.74Å; D191-H279 IonicContact OD2-ND1 3.83Å; D191-H279 PolarHBondContact OD2-ND1 3.01Å |
| 192 | P | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -53.7 | 141.1 | -176.5 | -22.5 | 32.6 | 0 | 0 | 0 | 111.5 | A171 G194 L206 V216 G231 T232 | A171-P192 HydrophobicContact CB-CB 3.62Å; A171-P192 HydrophobicContact CB-CG 3.73Å; P192-G194 PolarHBondContact O-N 2.84Å; P192-L206 HydrophobicContact CG-CD2 4.27Å; P192-V216 HydrophobicContact CG-CG1 3.62Å; P192-G231 CarbonylContact O-C 3.53Å; P192-G231 VanDerWaalsContact O-CA 3.3Å; P192-G231 WeakPolarHBondContact O-CA 3.36Å; P192-T232 HydrophobicContact CB-CG2 3.93Å; P192-T232 HydrophobicContact CG-CG2 4.37Å; P192-T232 PolarHBondContact O-N 3.19Å | ||
| 193 | A | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 132.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | S168 L169 H172 D191 F197 V230 | S168-A193 PolarHBondContact O-N 2.89Å; L169-A193 HydrophobicContact CD2-CB 3.84Å; L169-A193 HydrophobicContact CG-CB 4.35Å; H172-A193 PolarHBondContact NE2-N 3.39Å; H172-A193 PolarHBondContact NE2-O 3.45Å; D191-A193 PolarHBondContact O-N 3.49Å; A193-F197 HydrophobicContact CB-CD2 4.35Å; A193-F197 WeakPolarHBondContact O-CB 3.42Å; A193-V230 CarbonylContact C-O 3.59Å; A193-V230 WeakPolarHBondContact CA-O 3.47Å |
| 194 | G | 89.9 | Confident | 92.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -74.9 | -51.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | P192 F196 F197 H198 V230 | P192-G194 PolarHBondContact O-N 2.84Å; G194-F196 PolarHBondContact O-N 3.44Å; G194-F197 PolarHBondContact O-N 3.17Å; G194-H198 VanDerWaalsContact CA-CE1 3.42Å; G194-H198 WeakPolarHBondContact CA-CE1 3.49Å; G194-H198 VanDerWaalsContact CA-NE2 3.35Å; G194-H198 WeakPolarHBondContact CA-NE2 3.41Å; G194-H198 PolarHBondContact O-CD2 3.15Å; G194-H198 PolarHBondContact O-N 3.1Å; G194-V230 PolarHBondContact N-O 2.8Å | ||
| 195 | P | 87 | Confident | 92.4 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 134.4 | -172.8 | -20.5 | 31.3 | 0 | 0 | 0 | 112.2 | Y130 F197 I224 V230 | Y130-P195 HydrophobicContact CE1-CB 3.97Å; Y130-P195 WeakPolarHBondContact OH-CB 3.4Å; Y130-P195 PolarHBondContact OH-O 3.3Å; P195-F197 WeakPolarHBondContact O-CD2 3.43Å; P195-F197 PolarHBondContact O-N 3.17Å; P195-I224 HydrophobicContact CB-CD1 4.25Å; P195-I224 HydrophobicContact CG-CD1 3.26Å; P195-I224 HydrophobicContact CG-CG1 4.03Å; P195-V230 WeakPolarHBondContact CD-O 3.5Å |
| 196 | F | 85.3 | Confident | 92.4 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 23% | 0.232 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | -3.7 | -171.6 | -57.9 | -95.6 | 0 | 0 | 0 | 116.7 | L42 V43 Y130 I131 V134 G194 T200 | L42-F196 HydrophobicContact CB-CE1 4.45Å; L42-F196 HydrophobicContact CD1-CZ 4.38Å; V43-F196 HydrophobicContact CG2-CD1 4.44Å; Y130-F196 HydrophobicContact CD1-CD2 4.24Å; Y130-F196 AromaticContact CD1-CE2 4Å; Y130-F196 HydrophobicContact CD1-CE2 4Å; Y130-F196 AromaticContact CE1-CD2 3.64Å; Y130-F196 HydrophobicContact CE1-CD2 3.64Å; Y130-F196 AromaticContact CE1-CE2 3.81Å; Y130-F196 HydrophobicContact CE1-CE2 3.81Å; I131-F196 HydrophobicContact CG1-CZ 4.35Å; V134-F196 HydrophobicContact CG1-CB 4.1Å; V134-F196 HydrophobicContact CG1-CG 4.48Å; V134-F196 HydrophobicContact CG2-CB 4.37Å; V134-F196 HydrophobicContact CG2-CD2 4.33Å; V134-F196 HydrophobicContact CG2-CG 4.47Å; G194-F196 PolarHBondContact O-N 3.44Å; F196-T200 VanDerWaalsContact O-CG2 3.3Å; F196-T200 WeakPolarHBondContact O-CG2 3.44Å |
| 197 | F | 88.8 | Confident | 92.2 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -18 | 177.6 | -59.2 | -83.5 | 0 | 0 | 0 | 113.9 | V134 L137 L169 H172 A193 G194 P195 N199 T200 V204 R205 | V134-F197 HydrophobicContact CG1-CE2 4.4Å; V134-F197 HydrophobicContact CG1-CZ 4.01Å; V134-F197 HydrophobicContact CG2-CE2 4.03Å; V134-F197 HydrophobicContact CG2-CZ 4.28Å; L137-F197 HydrophobicContact CD1-CE1 4.16Å; L137-F197 HydrophobicContact CD1-CZ 3.58Å; L169-F197 HydrophobicContact CD2-CD2 4.44Å; L169-F197 HydrophobicContact CD2-CE2 3.47Å; L169-F197 VanDerWaalsContact CD2-CE2 3.47Å; L169-F197 HydrophobicContact CD2-CZ 4.1Å; H172-F197 HydrophobicContact CB-CD1 4.03Å; H172-F197 HydrophobicContact CB-CE1 3.65Å; H172-F197 HydrophobicContact CB-CZ 4.01Å; H172-F197 AromaticContact CD2-CD1 3.48Å; H172-F197 VanDerWaalsContact CD2-CD1 3.48Å; H172-F197 WeakPolarHBondContact CD2-CD1 3.31Å; H172-F197 AromaticContact CD2-CD2 3.25Å; H172-F197 WeakPolarHBondContact CD2-CD2 3.23Å; H172-F197 AromaticContact CD2-CE1 3.7Å; H172-F197 AromaticContact CD2-CE2 3.52Å; H172-F197 AromaticContact CD2-CG 3.26Å; H172-F197 WeakPolarHBondContact CD2-CG 3.44Å; H172-F197 AromaticContact CD2-CZ 3.74Å; H172-F197 AromaticContact CE1-CG 3.89Å; H172-F197 AromaticContact CG-CD1 3.51Å; H172-F197 AromaticContact CG-CE1 3.64Å; H172-F197 AromaticContact CG-CG 3.79Å; H172-F197 AromaticContact ND1-CD1 3.94Å; H172-F197 AromaticContact NE2-CD1 3.91Å; H172-F197 AromaticContact NE2-CD2 3.57Å; H172-F197 AromaticContact NE2-CG 3.37Å; H172-F197 WeakPolarHBondContact NE2-CG 3.48Å; A193-F197 HydrophobicContact CB-CD2 4.35Å; A193-F197 WeakPolarHBondContact O-CB 3.42Å; G194-F197 PolarHBondContact O-N 3.17Å; P195-F197 WeakPolarHBondContact O-CD2 3.43Å; P195-F197 PolarHBondContact O-N 3.17Å; F197-N199 PolarHBondContact O-N 2.66Å; F197-T200 PolarHBondContact O-N 2.92Å; F197-T200 PolarHBondContact O-OG1 3.32Å; F197-V204 HydrophobicContact CD1-CG1 4.44Å; F197-V204 VanDerWaalsContact CD1-O 3.29Å; F197-V204 WeakPolarHBondContact CD1-O 3.34Å; F197-V204 VanDerWaalsContact CE1-O 3.27Å; F197-V204 WeakPolarHBondContact CE1-O 3.29Å; F197-R205 HydrophobicContact CB-CB 4.26Å; F197-R205 HydrophobicContact CD1-CB 4.08Å |
| 198 | H | 84.9 | Confident | 92.1 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 19% | 0.19 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 128 | 174.9 | -73.7 | -53 | 0 | 0 | 0 | 111.7 | G194 T200 T232 I233 D234 | G194-H198 VanDerWaalsContact CA-CE1 3.42Å; G194-H198 WeakPolarHBondContact CA-CE1 3.49Å; G194-H198 VanDerWaalsContact CA-NE2 3.35Å; G194-H198 WeakPolarHBondContact CA-NE2 3.41Å; G194-H198 PolarHBondContact O-CD2 3.15Å; G194-H198 PolarHBondContact O-N 3.1Å; H198-T200 PolarHBondContact O-N 2.82Å; H198-T232 VanDerWaalsContact CE1-CA 3.48Å; H198-T232 WeakPolarHBondContact CE1-CA 3.48Å; H198-T232 PolarHBondContact ND1-OG1 3.27Å; H198-I233 PolarHBondContact CE1-N 3.31Å; H198-D234 VanDerWaalsContact CA-OD2 3.29Å; H198-D234 WeakPolarHBondContact CA-OD2 3.31Å; H198-D234 IonicContact ND1-OD2 3.66Å |
| 199 | N | 84.1 | Confident | 92 | Very high | 108 Ų | 108 | 32.8 Ų | 32.8 | 58% | 0.578 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 24 | 176.2 | -57.6 | -86.4 | 0 | 0 | 0 | 113.6 | F197 D234 | F197-N199 PolarHBondContact O-N 2.66Å; N199-D234 PolarHBondContact N-OD2 3.33Å |
| 200 | T | 86.2 | Confident | 92 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | trans | -79.8 | 158.2 | 172.7 | 62 | 0 | 0 | 0 | 0 | 110.8 | T37 F196 F197 H198 V204 R205 | T37-T200 HydrophobicContact CG2-CG2 4.33Å; F196-T200 VanDerWaalsContact O-CG2 3.3Å; F196-T200 WeakPolarHBondContact O-CG2 3.44Å; F197-T200 PolarHBondContact O-N 2.92Å; F197-T200 PolarHBondContact O-OG1 3.32Å; H198-T200 PolarHBondContact O-N 2.82Å; T200-V204 HydrophobicContact CG2-CG1 4.37Å; T200-R205 PolarHBondContact O-NE 2.86Å | ||
| 201 | P | 88.8 | Confident | 92 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 31% | 0.312 | 18% | 0.179 | S | C | . | . | trans | -55 | 148.3 | 170.7 | -24.5 | 36 | 0 | 0 | 0 | 111.2 | P33 E203 V204 | P33-P201 HydrophobicContact CB-CB 4.22Å; P33-P201 HydrophobicContact CB-CG 3.98Å; P201-E203 WeakPolarHBondContact CB-OE2 3.32Å; P201-E203 PolarHBondContact O-N 2.75Å; P201-V204 PolarHBondContact O-N 2.88Å | ||
| 202 | K | 91.2 | Very high | 92 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -56.5 | -26 | -176.9 | 64.1 | 174.9 | -172.6 | 167.1 | 0 | 113.2 | V204 R205 D207 | K202-V204 PolarHBondContact O-N 3.37Å; K202-R205 PolarHBondContact O-N 2.04Å; K202-D207 HydrophobicContact CB-CB 3.83Å |
| 203 | E | 89.9 | Confident | 92 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -66.5 | -15.9 | 178.1 | -58.5 | 75.1 | -161.7 | 0 | 0 | 113.2 | P33 W34 P201 | P33-E203 HydrophobicContact CG-CB 4.01Å; W34-E203 WeakPolarHBondContact CH2-O 3.35Å; P201-E203 WeakPolarHBondContact CB-OE2 3.32Å; P201-E203 PolarHBondContact O-N 2.75Å |
| 204 | V | 88.4 | Confident | 92.2 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -104.6 | -17.9 | -174.8 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | P33 W34 F197 T200 P201 K202 | P33-V204 HydrophobicContact CB-CG2 3.85Å; P33-V204 HydrophobicContact CG-CG2 3.69Å; W34-V204 HydrophobicContact CD2-CG2 4.17Å; W34-V204 HydrophobicContact CE3-CB 4.13Å; W34-V204 HydrophobicContact CE3-CG1 3.78Å; W34-V204 HydrophobicContact CE3-CG2 3.75Å; W34-V204 HydrophobicContact CH2-CB 4.48Å; W34-V204 HydrophobicContact CH2-CG2 4.32Å; W34-V204 HydrophobicContact CZ3-CB 3.86Å; W34-V204 HydrophobicContact CZ3-CG1 3.72Å; W34-V204 HydrophobicContact CZ3-CG2 3.84Å; F197-V204 HydrophobicContact CD1-CG1 4.44Å; F197-V204 VanDerWaalsContact CD1-O 3.29Å; F197-V204 WeakPolarHBondContact CD1-O 3.34Å; F197-V204 VanDerWaalsContact CE1-O 3.27Å; F197-V204 WeakPolarHBondContact CE1-O 3.29Å; T200-V204 HydrophobicContact CG2-CG1 4.37Å; P201-V204 PolarHBondContact O-N 2.88Å; K202-V204 PolarHBondContact O-N 3.37Å |
| 205 | R | 93.8 | Very high | 92.6 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -130.7 | 176 | -170.8 | 60.5 | 168.3 | 178.5 | 74.4 | -1 | 110.4 | F197 T200 K202 D207 | F197-R205 HydrophobicContact CB-CB 4.26Å; F197-R205 HydrophobicContact CD1-CB 4.08Å; T200-R205 PolarHBondContact O-NE 2.86Å; K202-R205 PolarHBondContact O-N 2.04Å; R205-D207 IonicContact CZ-OD2 2.66Å; R205-D207 IonicContact NH1-OD2 2.84Å; R205-D207 PolarHBondContact NH1-OD2 3.38Å; R205-D207 IonicContact NH2-OD2 3.61Å |
| 206 | L | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.6 | 138.5 | 169.9 | 179.2 | 62.6 | 0 | 0 | 0 | 108.6 | A171 H172 I187 P192 V214 V216 C236 | A171-L206 HydrophobicContact CB-CD2 4.36Å; H172-L206 PolarHBondContact ND1-N 3.41Å; H172-L206 VanDerWaalsContact ND1-N 3.11Å; I187-L206 HydrophobicContact CB-CD1 4.4Å; I187-L206 HydrophobicContact CD1-CD1 4.17Å; I187-L206 HydrophobicContact CG2-CD1 3.67Å; I187-L206 HydrophobicContact CG2-CD2 4.36Å; P192-L206 HydrophobicContact CG-CD2 4.27Å; L206-V214 HydrophobicContact CD1-CG1 4Å; L206-V214 HydrophobicContact CD2-CG1 4.12Å; L206-V214 HydrophobicContact CG-CG1 4.15Å; L206-V216 HydrophobicContact CD2-CG2 4.02Å; L206-C236 HydrophobicContact CB-CB 4.46Å; L206-C236 VanDerWaalsContact O-CB 3.23Å; L206-C236 WeakPolarHBondContact O-CB 3.43Å | ||
| 207 | D | 96.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | trans | -147.4 | 155.2 | 178.3 | -167.2 | -99.8 | 0 | 0 | 0 | 111.3 | K202 R205 S209 D210 C236 | K202-D207 HydrophobicContact CB-CB 3.83Å; R205-D207 IonicContact CZ-OD2 2.66Å; R205-D207 IonicContact NH1-OD2 2.84Å; R205-D207 PolarHBondContact NH1-OD2 3.38Å; R205-D207 IonicContact NH2-OD2 3.61Å; D207-S209 PolarHBondContact O-N 2.98Å; D207-S209 PolarHBondContact OD1-N 3.28Å; D207-S209 PolarHBondContact OD1-OG 3.13Å; D207-D210 PolarHBondContact N-OD2 2.97Å; D207-D210 WeakPolarHBondContact O-CB 3.45Å; D207-D210 PolarHBondContact O-N 3.25Å; D207-C236 CarbonylContact C-O 3.53Å | ||
| 208 | P | 95.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -55.5 | -25.5 | 176.4 | -29.1 | 38.6 | 0 | 0 | 0 | 114.2 | D210 C236 G237 H238 | P208-D210 PolarHBondContact O-N 3.44Å; P208-C236 WeakPolarHBondContact CD-O 3.35Å; P208-G237 WeakPolarHBondContact CG-O 3.43Å; P208-H238 PolarHBondContact O-CE1 2.91Å |
| 209 | S | 96.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 32 Ų | 32 | 52% | 0.524 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -69.8 | -11.6 | 177.8 | 63.1 | 0 | 0 | 0 | 0 | 115.3 | D207 A211 | D207-S209 PolarHBondContact O-N 2.98Å; D207-S209 PolarHBondContact OD1-N 3.28Å; D207-S209 PolarHBondContact OD1-OG 3.13Å; S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A211 PolarHBondContact O-N 3.28Å |
| 210 | D | 98.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -79.7 | -12.8 | -171.3 | -59 | -24.4 | 0 | 0 | 0 | 113.5 | G175 G178 I187 D207 P208 | G175-D210 VanDerWaalsContact CA-OD2 3.23Å; G175-D210 WeakPolarHBondContact CA-OD2 3.43Å; G178-D210 CarbonylContact C-O 3.55Å; G178-D210 WeakPolarHBondContact CA-O 3.44Å; I187-D210 HydrophobicContact CD1-CB 3.61Å; D207-D210 PolarHBondContact N-OD2 2.97Å; D207-D210 WeakPolarHBondContact O-CB 3.45Å; D207-D210 PolarHBondContact O-N 3.25Å; P208-D210 PolarHBondContact O-N 3.44Å |
| 211 | A | 98.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -154.4 | 166.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L184 I187 S209 F213 V214 | L184-A211 HydrophobicContact CB-CB 4.23Å; L184-A211 HydrophobicContact CD2-CB 4.06Å; L184-A211 HydrophobicContact CG-CB 4.13Å; I187-A211 HydrophobicContact CB-CB 4.37Å; I187-A211 HydrophobicContact CD1-CB 3.87Å; I187-A211 HydrophobicContact CG1-CB 3.84Å; S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A211 PolarHBondContact O-N 3.28Å; A211-F213 PolarHBondContact O-N 2.89Å; A211-F213 VanDerWaalsContact O-N 3.13Å; A211-V214 HydrophobicContact CB-CG2 4Å |
| 212 | N | 98 | Very high | 95 | Very high | 83 Ų | 83 | 24.5 Ų | 24.5 | 44% | 0.444 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -60.7 | -22.3 | 174.1 | -63.6 | -24.9 | 0 | 0 | 0 | 112.9 | G183 L184 N334 | G183-N212 PolarHBondContact O-ND2 3.26Å; L184-N212 WeakPolarHBondContact O-CB 3Å; L184-N212 VanDerWaalsContact O-CG 3.23Å; L184-N212 PolarHBondContact O-N 3.27Å; L184-N212 PolarHBondContact O-ND2 3.08Å; N212-N334 PolarHBondContact O-ND2 3.47Å; N212-N334 VanDerWaalsContact O-ND2 3.09Å; N212-N334 PolarHBondContact O-OD1 2.83Å |
| 213 | F | 98.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | trans | -151.3 | 133.7 | 172.3 | 177.2 | -129.8 | 0 | 0 | 0 | 110.3 | G185 R186 I187 A211 D215 H238 L239 A327 D328 K333 | G185-F213 PolarHBondContact O-N 3.06Å; R186-F213 CarbonylContact C-O 3.57Å; R186-F213 WeakPolarHBondContact CA-O 3.44Å; R186-F213 HydrophobicContact CG-CD1 3.78Å; R186-F213 HydrophobicContact CG-CE1 4.45Å; I187-F213 PolarHBondContact N-O 2.87Å; A211-F213 PolarHBondContact O-N 2.89Å; A211-F213 VanDerWaalsContact O-N 3.13Å; F213-D215 HydrophobicContact CE1-CB 4.06Å; F213-D215 HydrophobicContact CE2-CB 4.23Å; F213-D215 HydrophobicContact CZ-CB 3.64Å; F213-H238 HydrophobicContact CD2-CB 4.11Å; F213-H238 HydrophobicContact CE2-CB 4.18Å; F213-L239 HydrophobicContact CE2-CD1 4.06Å; F213-L239 HydrophobicContact CE2-CG 4.06Å; F213-L239 HydrophobicContact CZ-CD1 3.92Å; F213-L239 HydrophobicContact CZ-CG 4.37Å; F213-A327 HydrophobicContact CE1-CB 4.39Å; F213-A327 HydrophobicContact CZ-CB 4.24Å; F213-D328 HydrophobicContact CD1-CB 3.92Å; F213-D328 HydrophobicContact CE1-CB 3.79Å; F213-K333 HydrophobicContact CD1-CD 4.21Å; F213-K333 HydrophobicContact CD2-CB 3.95Å; F213-K333 HydrophobicContact CD2-CD 4.06Å; F213-K333 HydrophobicContact CD2-CG 4.05Å; F213-K333 HydrophobicContact CE1-CD 4.32Å; F213-K333 HydrophobicContact CE2-CB 3.54Å; F213-K333 HydrophobicContact CE2-CD 4.22Å; F213-K333 HydrophobicContact CE2-CG 4.14Å; F213-K333 HydrophobicContact CG-CD 4.08Å; F213-K333 HydrophobicContact CZ-CB 4Å; F213-K333 HydrophobicContact CZ-CD 4.32Å | ||
| 214 | V | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.9 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | I187 L206 A211 V216 H238 L239 | I187-V214 HydrophobicContact CB-CG1 4.34Å; I187-V214 HydrophobicContact CB-CG2 4.27Å; I187-V214 HydrophobicContact CG2-CG1 4.49Å; I187-V214 VanDerWaalsContact O-CA 3.25Å; I187-V214 WeakPolarHBondContact O-CA 3.42Å; L206-V214 HydrophobicContact CD1-CG1 4Å; L206-V214 HydrophobicContact CD2-CG1 4.12Å; L206-V214 HydrophobicContact CG-CG1 4.15Å; A211-V214 HydrophobicContact CB-CG2 4Å; V214-V216 HydrophobicContact CG1-CG2 4.25Å; V214-H238 PolarHBondContact N-ND1 2.66Å; V214-H238 WeakPolarHBondContact O-CA 3.32Å; V214-H238 WeakPolarHBondContact O-CB 3.42Å; V214-H238 PolarHBondContact O-N 3.27Å; V214-L239 PolarHBondContact O-N 3.13Å |
| 215 | D | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.7 | 175.5 | 64.9 | -60.5 | 0 | 0 | 0 | 111.6 | R186 I187 T188 G189 F213 L239 F241 A327 | R186-D215 IonicContact CZ-OD1 3.92Å; R186-D215 IonicContact CZ-OD2 3.25Å; R186-D215 IonicContact NE-OD1 3.79Å; R186-D215 PolarHBondContact NE-OD1 2.84Å; R186-D215 IonicContact NE-OD2 3.16Å; R186-D215 IonicContact NH2-OD1 2.66Å; R186-D215 PolarHBondContact NH2-OD1 2.87Å; R186-D215 VanDerWaalsContact NH2-OD1 3.09Å; R186-D215 IonicContact NH2-OD2 2.92Å; R186-D215 PolarHBondContact NH2-OD2 3.07Å; I187-D215 PolarHBondContact O-N 3.05Å; T188-D215 CarbonylContact C-O 3.57Å; T188-D215 WeakPolarHBondContact CA-O 3.46Å; T188-D215 PolarHBondContact OG1-OD1 3.3Å; T188-D215 PolarHBondContact OG1-OD2 2.92Å; G189-D215 PolarHBondContact N-O 3.48Å; F213-D215 HydrophobicContact CE1-CB 4.06Å; F213-D215 HydrophobicContact CE2-CB 4.23Å; F213-D215 HydrophobicContact CZ-CB 3.64Å; D215-L239 CarbonylContact C-O 3.56Å; D215-L239 VanDerWaalsContact CA-O 3.31Å; D215-L239 WeakPolarHBondContact CA-O 3.31Å; D215-L239 HydrophobicContact CB-CB 4.39Å; D215-F241 HydrophobicContact CB-CE2 4.17Å; D215-A327 HydrophobicContact CB-CB 4.37Å |
| 216 | V | 98.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.9 | -169.4 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | G189 P192 L206 V214 H218 L239 F241 | G189-V216 CarbonylContact O-C 3.53Å; G189-V216 VanDerWaalsContact O-CA 3.3Å; G189-V216 WeakPolarHBondContact O-CA 3.33Å; P192-V216 HydrophobicContact CG-CG1 3.62Å; L206-V216 HydrophobicContact CD2-CG2 4.02Å; V214-V216 HydrophobicContact CG1-CG2 4.25Å; V216-H218 WeakPolarHBondContact CG1-NE2 3.4Å; V216-L239 PolarHBondContact N-O 3.46Å; V216-F241 WeakPolarHBondContact O-CD2 3.27Å; V216-F241 PolarHBondContact O-N 3.36Å |
| 217 | I | 98.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.9 | 174.8 | -54.6 | -179.5 | 0 | 0 | 0 | 108.5 | G189 L190 D191 T219 F241 P243 Y286 M323 | G189-I217 PolarHBondContact O-N 3.2Å; L190-I217 HydrophobicContact CD2-CD1 3.91Å; L190-I217 HydrophobicContact CD2-CG1 4.35Å; D191-I217 VanDerWaalsContact CA-O 3.22Å; D191-I217 WeakPolarHBondContact CA-O 3.26Å; D191-I217 PolarHBondContact N-O 3.08Å; I217-T219 HydrophobicContact CG2-CG2 3.97Å; I217-F241 HydrophobicContact CG1-CD2 4.44Å; I217-P243 HydrophobicContact CG2-CG 4.06Å; I217-Y286 HydrophobicContact CD1-CD2 4.12Å; I217-M323 HydrophobicContact CD1-CG 3.71Å; I217-M323 HydrophobicContact CD1-SD 4.16Å; I217-M323 HydrophobicContact CG1-CG 3.8Å; I217-M323 HydrophobicContact CG1-SD 4.2Å; I217-M323 HydrophobicContact CG2-CG 4.43Å; I217-M323 HydrophobicContact CG2-SD 3.69Å |
| 218 | H | 97.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -93.1 | 118.6 | 176.3 | -64.3 | -92.6 | 0 | 0 | 0 | 110 | V216 A221 T232 D234 D240 F241 Y242 P243 G246 | V216-H218 WeakPolarHBondContact CG1-NE2 3.4Å; H218-A221 HydrophobicContact CB-CB 3.84Å; H218-T232 PolarHBondContact ND1-O 3.21Å; H218-D234 PolarHBondContact CE1-O 3.33Å; H218-D240 IonicContact NE2-OD1 2.7Å; H218-D240 PolarHBondContact NE2-OD1 3.12Å; H218-F241 PolarHBondContact N-O 3.12Å; H218-Y242 HydrophobicContact CB-CD1 3.61Å; H218-Y242 HydrophobicContact CB-CE1 3.71Å; H218-Y242 HydrophobicContact CB-CG 4.36Å; H218-Y242 AromaticContact CD2-CE1 3.5Å; H218-Y242 VanDerWaalsContact CD2-CE1 3.5Å; H218-Y242 WeakPolarHBondContact CD2-CE1 3.42Å; H218-Y242 AromaticContact CD2-CZ 3.47Å; H218-Y242 VanDerWaalsContact CD2-CZ 3.47Å; H218-Y242 AromaticContact CG-CD1 3.92Å; H218-Y242 AromaticContact CG-CE1 3.47Å; H218-Y242 VanDerWaalsContact CG-CE1 3.47Å; H218-Y242 AromaticContact CG-CZ 3.95Å; H218-Y242 AromaticContact NE2-CZ 3.77Å; H218-Y242 PolarHBondContact NE2-OH 2.91Å; H218-P243 VanDerWaalsContact O-CD 3.31Å; H218-P243 WeakPolarHBondContact O-CD 3.36Å; H218-G246 VanDerWaalsContact O-CA 3.22Å; H218-G246 WeakPolarHBondContact O-CA 3.34Å | ||
| 219 | T | 96.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -123.4 | -14.1 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | D191 I217 P243 G246 K247 M249 N278 R281 S282 F285 | D191-T219 PolarHBondContact OD1-N 3.1Å; I217-T219 HydrophobicContact CG2-CG2 3.97Å; T219-P243 HydrophobicContact CG2-CG 3.85Å; T219-G246 CarbonylContact C-O 3.59Å; T219-K247 CarbonylContact O-C 3.12Å; T219-M249 HydrophobicContact CG2-CG 4.34Å; T219-M249 HydrophobicContact CG2-SD 3.86Å; T219-M249 VanDerWaalsContact O-CE 3.25Å; T219-M249 WeakPolarHBondContact O-CE 3.4Å; T219-N278 WeakPolarHBondContact CB-O 3.1Å; T219-N278 PolarHBondContact OG1-O 2.82Å; T219-R281 HydrophobicContact CG2-CB 4.02Å; T219-S282 PolarHBondContact OG1-N 2.67Å; T219-F285 HydrophobicContact CG2-CD2 3.88Å; T219-F285 HydrophobicContact CG2-CE2 3.77Å |
| 220 | N | 92.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -141.2 | 40 | 174.5 | -163.4 | -138.4 | 0 | 0 | 0 | 112.4 | D191 A222 G229 V230 G231 G246 K247 N278 | D191-N220 PolarHBondContact OD1-N 2.8Å; D191-N220 WeakPolarHBondContact OD2-CB 3.4Å; D191-N220 PolarHBondContact OD2-N 2.91Å; N220-A222 PolarHBondContact O-N 3.46Å; N220-G229 WeakPolarHBondContact O-CA 3.2Å; N220-G229 WeakPolarHBondContact OD1-CA 3.45Å; N220-V230 VanDerWaalsContact OD1-CG2 3.31Å; N220-V230 WeakPolarHBondContact OD1-CG2 3.21Å; N220-V230 PolarHBondContact OD1-N 3.04Å; N220-G231 WeakPolarHBondContact O-CA 3.22Å; N220-G231 PolarHBondContact O-N 3.48Å; N220-G246 PolarHBondContact N-O 3.2Å; N220-K247 PolarHBondContact ND2-O 3.4Å; N220-K247 VanDerWaalsContact ND2-O 3.15Å; N220-N278 HydrophobicContact CB-CB 3.91Å |
| 221 | A | 89.6 | Confident | 84.9 | Confident | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 71 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H218 T232 G246 K247 | H218-A221 HydrophobicContact CB-CB 3.84Å; A221-T232 WeakPolarHBondContact CB-O 3.39Å; A221-G246 WeakPolarHBondContact CB-O 3.44Å; A221-G246 PolarHBondContact N-O 2.72Å; A221-K247 WeakPolarHBondContact O-CG 3.25Å |
| 222 | A | 80.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -138.5 | 155.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | N220 E227 G229 K247 | N220-A222 PolarHBondContact O-N 3.46Å; A222-E227 HydrophobicContact CB-CB 3.63Å; A222-E227 VanDerWaalsContact CB-OE2 3.25Å; A222-E227 WeakPolarHBondContact CB-OE2 3.31Å; A222-G229 CarbonylContact O-C 3.56Å; A222-G229 VanDerWaalsContact O-C 3.25Å; A222-G229 WeakPolarHBondContact O-CA 3.17Å; A222-G229 VanDerWaalsContact O-O 3.06Å; A222-K247 HydrophobicContact CB-CD 4.49Å; A222-K247 HydrophobicContact CB-CG 4.49Å |
| 223 | R | 74.8 | Confident | 84 | Confident | 147 Ų | 147 | 37.5 Ų | 37.5 | 56% | 0.555 | 18% | 0.177 | S | C | * | . | trans | -75.3 | 138 | 175.9 | -69.3 | -175.2 | 173 | -176.1 | -2.1 | 109.5 | L225 E227 L228 G229 I233 | R223-L225 VanDerWaalsContact C-N 3.3Å; R223-L225 PolarHBondContact O-N 2.82Å; R223-E227 PolarHBondContact O-N 2.71Å; R223-L228 PolarHBondContact O-N 3.34Å; R223-G229 PolarHBondContact O-N 3.4Å; R223-I233 HydrophobicContact CG-CD1 4.41Å | ||
| 224 | I | 69.3 | Low | 83.6 | Confident | 75 Ų | 75 | 38.5 Ų | 38.5 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -52.3 | -51.9 | 175.2 | -78.1 | -169.4 | 0 | 0 | 0 | 110.6 | P195 F226 L228 G229 V230 | P195-I224 HydrophobicContact CB-CD1 4.25Å; P195-I224 HydrophobicContact CG-CD1 3.26Å; P195-I224 HydrophobicContact CG-CG1 4.03Å; I224-F226 PolarHBondContact O-N 3.42Å; I224-L228 PolarHBondContact O-N 2.87Å; I224-G229 WeakPolarHBondContact CA-O 3.38Å; I224-G229 WeakPolarHBondContact CG1-O 3.11Å; I224-G229 PolarHBondContact N-O 2.92Å; I224-V230 HydrophobicContact CD1-CG1 4.44Å; I224-V230 HydrophobicContact CG1-CG1 4.49Å |
| 225 | L | 58.8 | Low | 83.3 | Confident | 130 Ų | 130 | 41.3 Ų | 41.3 | 68% | 0.681 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.6 | 119.9 | 174.4 | -69.6 | 148.5 | 0 | 0 | 0 | 106.6 | R223 E227 | R223-L225 VanDerWaalsContact C-N 3.3Å; R223-L225 PolarHBondContact O-N 2.82Å; L225-E227 PolarHBondContact O-N 2.92Å |
| 226 | F | 57.5 | Low | 83.1 | Confident | 203 Ų | 203 | 41.4 Ų | 41.4 | 89% | 0.89 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | 84.3 | -38.6 | 175.9 | -43 | -69.5 | 0 | 0 | 0 | 117.8 | I224 | I224-F226 PolarHBondContact O-N 3.42Å |
| 227 | E | 61.6 | Low | 83 | Confident | 80 Ų | 80 | 41.8 Ų | 41.8 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -115.2 | -1.8 | -174.5 | -67 | -175.5 | -178 | 0 | 0 | 114.1 | A222 R223 L225 G229 K247 | A222-E227 HydrophobicContact CB-CB 3.63Å; A222-E227 VanDerWaalsContact CB-OE2 3.25Å; A222-E227 WeakPolarHBondContact CB-OE2 3.31Å; R223-E227 PolarHBondContact O-N 2.71Å; L225-E227 PolarHBondContact O-N 2.92Å; E227-G229 PolarHBondContact O-N 2.83Å; E227-K247 VanDerWaalsContact CD-NZ 3.34Å; E227-K247 IonicContact OE1-NZ 2.66Å; E227-K247 PolarHBondContact OE1-NZ 3.11Å; E227-K247 VanDerWaalsContact OE1-NZ 3.09Å; E227-K247 IonicContact OE2-NZ 3.12Å; E227-K247 PolarHBondContact OE2-NZ 2.91Å |
| 228 | L | 66 | Low | 82.8 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | trans | 53.7 | 40.6 | 178.5 | -52.9 | 172.5 | 0 | 0 | 0 | 112.1 | R223 I224 M271 F274 F275 | R223-L228 PolarHBondContact O-N 3.34Å; I224-L228 PolarHBondContact O-N 2.87Å; L228-M271 HydrophobicContact CD1-CE 3.28Å; L228-M271 HydrophobicContact CD1-SD 3.6Å; L228-M271 HydrophobicContact CD2-CE 3.41Å; L228-M271 VanDerWaalsContact CD2-CE 3.41Å; L228-M271 HydrophobicContact CG-CE 3.9Å; L228-F274 HydrophobicContact CB-CE1 4.45Å; L228-F275 HydrophobicContact CB-CD1 4.48Å; L228-F275 HydrophobicContact CB-CE1 3.61Å; L228-F275 HydrophobicContact CB-CZ 3.8Å; L228-F275 HydrophobicContact CD2-CE1 4.46Å; L228-F275 HydrophobicContact CD2-CZ 3.86Å; L228-F275 HydrophobicContact CG-CZ 4.37Å; L228-F275 WeakPolarHBondContact O-CD1 3.26Å; L228-F275 WeakPolarHBondContact O-CE1 3.43Å | ||
| 229 | G | 74.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -95.8 | 135.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N220 A222 R223 I224 E227 | N220-G229 WeakPolarHBondContact O-CA 3.2Å; N220-G229 WeakPolarHBondContact OD1-CA 3.45Å; A222-G229 CarbonylContact O-C 3.56Å; A222-G229 VanDerWaalsContact O-C 3.25Å; A222-G229 WeakPolarHBondContact O-CA 3.17Å; A222-G229 VanDerWaalsContact O-O 3.06Å; R223-G229 PolarHBondContact O-N 3.4Å; I224-G229 WeakPolarHBondContact CA-O 3.38Å; I224-G229 WeakPolarHBondContact CG1-O 3.11Å; I224-G229 PolarHBondContact N-O 2.92Å; E227-G229 PolarHBondContact O-N 2.83Å | ||
| 230 | V | 84.6 | Confident | 82.7 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 18% | 0.176 | 22% | 0.222 | C | C | . | . | trans | -105.3 | -10.9 | 173.6 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | A193 G194 P195 N220 I224 F275 H279 | A193-V230 CarbonylContact C-O 3.59Å; A193-V230 WeakPolarHBondContact CA-O 3.47Å; G194-V230 PolarHBondContact N-O 2.8Å; P195-V230 WeakPolarHBondContact CD-O 3.5Å; N220-V230 VanDerWaalsContact OD1-CG2 3.31Å; N220-V230 WeakPolarHBondContact OD1-CG2 3.21Å; N220-V230 PolarHBondContact OD1-N 3.04Å; I224-V230 HydrophobicContact CD1-CG1 4.44Å; I224-V230 HydrophobicContact CG1-CG1 4.49Å; V230-F275 HydrophobicContact CG1-CD1 3.64Å; V230-F275 HydrophobicContact CG1-CE1 3.93Å; V230-F275 HydrophobicContact CG1-CG 4.33Å; V230-H279 HydrophobicContact CG2-CB 3.84Å | ||
| 231 | G | 89 | Confident | 83 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 154.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P192 N220 | P192-G231 CarbonylContact O-C 3.53Å; P192-G231 VanDerWaalsContact O-CA 3.3Å; P192-G231 WeakPolarHBondContact O-CA 3.36Å; N220-G231 WeakPolarHBondContact O-CA 3.22Å; N220-G231 PolarHBondContact O-N 3.48Å |
| 232 | T | 89.9 | Confident | 83.4 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | trans | -72.4 | 141.7 | 179.1 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | P192 H198 H218 A221 D234 | P192-T232 HydrophobicContact CB-CG2 3.93Å; P192-T232 HydrophobicContact CG-CG2 4.37Å; P192-T232 PolarHBondContact O-N 3.19Å; H198-T232 VanDerWaalsContact CE1-CA 3.48Å; H198-T232 WeakPolarHBondContact CE1-CA 3.48Å; H198-T232 PolarHBondContact ND1-OG1 3.27Å; H218-T232 PolarHBondContact ND1-O 3.21Å; A221-T232 WeakPolarHBondContact CB-O 3.39Å; T232-D234 VanDerWaalsContact C-N 3.35Å; T232-D234 PolarHBondContact OG1-N 3.15Å | ||
| 233 | I | 89.1 | Confident | 84.2 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | trans | -84.8 | -15.8 | 172.6 | 63.2 | 174.7 | 0 | 0 | 0 | 112.2 | H198 R223 | H198-I233 PolarHBondContact CE1-N 3.31Å; R223-I233 HydrophobicContact CG-CD1 4.41Å | ||
| 234 | D | 89.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -80.5 | 132.1 | -175.4 | -54.6 | -39 | 0 | 0 | 0 | 109.2 | H198 N199 H218 T232 C236 | H198-D234 VanDerWaalsContact CA-OD2 3.29Å; H198-D234 WeakPolarHBondContact CA-OD2 3.31Å; H198-D234 IonicContact ND1-OD2 3.66Å; N199-D234 PolarHBondContact N-OD2 3.33Å; H218-D234 PolarHBondContact CE1-O 3.33Å; T232-D234 VanDerWaalsContact C-N 3.35Å; T232-D234 PolarHBondContact OG1-N 3.15Å; D234-C236 PolarHBondContact O-N 3.17Å |
| 235 | A | 92.5 | Very high | 86.5 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 50% | 0.496 | 19% | 0.189 | S | C | . | . | trans | -65.2 | 128.1 | 167 | 0 | 0 | 0 | 0 | 0 | 108.7 | D240 | A235-D240 VanDerWaalsContact CA-OD1 3.31Å; A235-D240 WeakPolarHBondContact CA-OD1 3.48Å; A235-D240 HydrophobicContact CB-CB 4.39Å | ||
| 236 | C | 94 | Very high | 88.2 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | trans | -136.3 | 9.1 | -175.6 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | L206 D207 P208 D234 D240 | L206-C236 HydrophobicContact CB-CB 4.46Å; L206-C236 VanDerWaalsContact O-CB 3.23Å; L206-C236 WeakPolarHBondContact O-CB 3.43Å; D207-C236 CarbonylContact C-O 3.53Å; P208-C236 WeakPolarHBondContact CD-O 3.35Å; D234-C236 PolarHBondContact O-N 3.17Å; C236-D240 PolarHBondContact N-OD1 3.41Å | ||
| 237 | G | 95.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -110.9 | 171.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P208 L239 D240 | P208-G237 WeakPolarHBondContact CG-O 3.43Å; G237-L239 VanDerWaalsContact C-N 3.29Å; G237-D240 WeakPolarHBondContact CA-OD2 3.08Å; G237-D240 PolarHBondContact N-OD1 2.78Å; G237-D240 VanDerWaalsContact N-OD1 3.08Å; G237-D240 PolarHBondContact N-OD2 2.94Å; G237-D240 VanDerWaalsContact N-OD2 3.16Å |
| 238 | H | 95.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 22.8 Ų | 22.8 | 17% | 0.171 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -70.5 | -34.8 | 157.8 | -59.3 | 84.2 | 0 | 0 | 0 | 110.3 | P208 F213 V214 K333 T337 | P208-H238 PolarHBondContact O-CE1 2.91Å; F213-H238 HydrophobicContact CD2-CB 4.11Å; F213-H238 HydrophobicContact CE2-CB 4.18Å; V214-H238 PolarHBondContact N-ND1 2.66Å; V214-H238 WeakPolarHBondContact O-CA 3.32Å; V214-H238 WeakPolarHBondContact O-CB 3.42Å; V214-H238 PolarHBondContact O-N 3.27Å; H238-K333 WeakPolarHBondContact CB-O 3.39Å; H238-T337 WeakPolarHBondContact O-CG2 3.26Å |
| 239 | L | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.5 | 169.7 | -63.1 | -179.3 | 0 | 0 | 0 | 110.1 | F213 V214 D215 V216 G237 F241 P321 F330 K333 Y342 | F213-L239 HydrophobicContact CE2-CD1 4.06Å; F213-L239 HydrophobicContact CE2-CG 4.06Å; F213-L239 HydrophobicContact CZ-CD1 3.92Å; F213-L239 HydrophobicContact CZ-CG 4.37Å; V214-L239 PolarHBondContact O-N 3.13Å; D215-L239 CarbonylContact C-O 3.56Å; D215-L239 VanDerWaalsContact CA-O 3.31Å; D215-L239 WeakPolarHBondContact CA-O 3.31Å; D215-L239 HydrophobicContact CB-CB 4.39Å; V216-L239 PolarHBondContact N-O 3.46Å; G237-L239 VanDerWaalsContact C-N 3.29Å; L239-F241 HydrophobicContact CB-CE2 3.91Å; L239-F241 HydrophobicContact CB-CZ 4.05Å; L239-F241 HydrophobicContact CD1-CE2 4.48Å; L239-F241 HydrophobicContact CD1-CZ 3.99Å; L239-P321 HydrophobicContact CD1-CB 3.96Å; L239-P321 HydrophobicContact CD1-CG 4.46Å; L239-F330 HydrophobicContact CD1-CB 4.5Å; L239-F330 HydrophobicContact CD1-CD1 4.06Å; L239-F330 HydrophobicContact CD2-CD1 4.28Å; L239-F330 HydrophobicContact CD2-CE1 4.43Å; L239-K333 HydrophobicContact CD1-CB 4.12Å; L239-Y342 HydrophobicContact CD2-CD2 4.26Å; L239-Y342 HydrophobicContact CD2-CE2 3.54Å |
| 240 | D | 96.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.4 | 175.1 | -61.4 | -103.3 | 0 | 0 | 0 | 109.6 | H218 A235 C236 G237 Y242 Y342 | H218-D240 IonicContact NE2-OD1 2.7Å; H218-D240 PolarHBondContact NE2-OD1 3.12Å; A235-D240 VanDerWaalsContact CA-OD1 3.31Å; A235-D240 WeakPolarHBondContact CA-OD1 3.48Å; A235-D240 HydrophobicContact CB-CB 4.39Å; C236-D240 PolarHBondContact N-OD1 3.41Å; G237-D240 WeakPolarHBondContact CA-OD2 3.08Å; G237-D240 PolarHBondContact N-OD1 2.78Å; G237-D240 VanDerWaalsContact N-OD1 3.08Å; G237-D240 PolarHBondContact N-OD2 2.94Å; G237-D240 VanDerWaalsContact N-OD2 3.16Å; D240-Y242 HydrophobicContact CB-CE2 3.54Å; D240-Y242 WeakPolarHBondContact O-CD2 3.49Å; D240-Y242 WeakPolarHBondContact O-CE2 3.44Å; D240-Y342 PolarHBondContact O-N 2.85Å |
| 241 | F | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.3 | -178 | -58.6 | -82.6 | 0 | 0 | 0 | 110.9 | D215 V216 I217 H218 L239 P243 A298 P321 M323 A327 Y342 | D215-F241 HydrophobicContact CB-CE2 4.17Å; V216-F241 WeakPolarHBondContact O-CD2 3.27Å; V216-F241 PolarHBondContact O-N 3.36Å; I217-F241 HydrophobicContact CG1-CD2 4.44Å; H218-F241 PolarHBondContact N-O 3.12Å; L239-F241 HydrophobicContact CB-CE2 3.91Å; L239-F241 HydrophobicContact CB-CZ 4.05Å; L239-F241 HydrophobicContact CD1-CE2 4.48Å; L239-F241 HydrophobicContact CD1-CZ 3.99Å; F241-P243 VanDerWaalsContact C-CD 3.47Å; F241-P243 WeakPolarHBondContact O-CD 3.05Å; F241-A298 HydrophobicContact CD1-CB 3.49Å; F241-A298 VanDerWaalsContact CD1-CB 3.49Å; F241-A298 HydrophobicContact CE1-CB 3.7Å; F241-P321 HydrophobicContact CE1-CB 3.9Å; F241-P321 HydrophobicContact CE1-CG 3.81Å; F241-P321 HydrophobicContact CZ-CB 3.96Å; F241-P321 HydrophobicContact CZ-CG 4.27Å; F241-M323 HydrophobicContact CB-CB 4.28Å; F241-M323 HydrophobicContact CB-CG 3.69Å; F241-M323 HydrophobicContact CB-SD 3.88Å; F241-M323 HydrophobicContact CD1-CB 3.67Å; F241-M323 HydrophobicContact CD1-CG 4Å; F241-M323 HydrophobicContact CD2-CB 4.31Å; F241-M323 HydrophobicContact CD2-CG 3.94Å; F241-M323 HydrophobicContact CE1-CB 3.97Å; F241-M323 HydrophobicContact CG-CB 3.85Å; F241-M323 HydrophobicContact CG-CG 3.62Å; F241-M323 HydrophobicContact CG-SD 4.45Å; F241-M323 HydrophobicContact CZ-CB 4.43Å; F241-A327 HydrophobicContact CE2-CB 4.01Å; F241-A327 HydrophobicContact CZ-CB 3.94Å; F241-Y342 WeakPolarHBondContact CA-O 3.42Å |
| 242 | Y | 97.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 5% | 0.051 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 68.9 | -177.4 | -61.2 | -95 | 0 | 0 | 0 | 109.9 | H218 D240 N244 G245 Y341 Y342 F343 | H218-Y242 HydrophobicContact CB-CD1 3.61Å; H218-Y242 HydrophobicContact CB-CE1 3.71Å; H218-Y242 HydrophobicContact CB-CG 4.36Å; H218-Y242 AromaticContact CD2-CE1 3.5Å; H218-Y242 VanDerWaalsContact CD2-CE1 3.5Å; H218-Y242 WeakPolarHBondContact CD2-CE1 3.42Å; H218-Y242 AromaticContact CD2-CZ 3.47Å; H218-Y242 VanDerWaalsContact CD2-CZ 3.47Å; H218-Y242 AromaticContact CG-CD1 3.92Å; H218-Y242 AromaticContact CG-CE1 3.47Å; H218-Y242 VanDerWaalsContact CG-CE1 3.47Å; H218-Y242 AromaticContact CG-CZ 3.95Å; H218-Y242 AromaticContact NE2-CZ 3.77Å; H218-Y242 PolarHBondContact NE2-OH 2.91Å; D240-Y242 HydrophobicContact CB-CE2 3.54Å; D240-Y242 WeakPolarHBondContact O-CD2 3.49Å; D240-Y242 WeakPolarHBondContact O-CE2 3.44Å; Y242-N244 PolarHBondContact O-N 2.78Å; Y242-G245 PolarHBondContact O-N 3.16Å; Y242-Y341 AromaticContact CD2-CD1 3.93Å; Y242-Y341 HydrophobicContact CD2-CD1 3.93Å; Y242-Y341 HydrophobicContact CE1-CD1 4.48Å; Y242-Y341 AromaticContact CE2-CD1 3.45Å; Y242-Y341 HydrophobicContact CE2-CD1 3.45Å; Y242-Y341 VanDerWaalsContact CE2-CD1 3.45Å; Y242-Y341 HydrophobicContact CE2-CE1 4.26Å; Y242-Y341 HydrophobicContact CE2-CG 4.36Å; Y242-Y341 AromaticContact CZ-CD1 3.75Å; Y242-Y342 PolarHBondContact N-O 2.91Å; Y242-F343 HydrophobicContact CG-CE1 4.14Å; Y242-F343 WeakPolarHBondContact O-CD1 3.18Å |
| 243 | P | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 133.2 | 175.1 | 25.6 | -37 | 0 | 0 | 0 | 110.6 | I217 H218 T219 F241 G245 G246 M249 F285 M323 L344 T346 | I217-P243 HydrophobicContact CG2-CG 4.06Å; H218-P243 VanDerWaalsContact O-CD 3.31Å; H218-P243 WeakPolarHBondContact O-CD 3.36Å; T219-P243 HydrophobicContact CG2-CG 3.85Å; F241-P243 VanDerWaalsContact C-CD 3.47Å; F241-P243 WeakPolarHBondContact O-CD 3.05Å; P243-G245 PolarHBondContact O-N 2.87Å; P243-G246 WeakPolarHBondContact O-CA 3.33Å; P243-G246 PolarHBondContact O-N 3.47Å; P243-M249 HydrophobicContact CG-SD 4.34Å; P243-M249 WeakPolarHBondContact O-CE 3.3Å; P243-F285 HydrophobicContact CB-CD2 4.27Å; P243-F285 HydrophobicContact CB-CE2 3.94Å; P243-F285 HydrophobicContact CG-CD2 3.99Å; P243-F285 HydrophobicContact CG-CE2 3.85Å; P243-M323 HydrophobicContact CB-CE 4.45Å; P243-M323 HydrophobicContact CB-SD 4.11Å; P243-M323 HydrophobicContact CG-SD 3.87Å; P243-L344 CarbonylContact C-O 3.56Å; P243-L344 WeakPolarHBondContact CA-O 3.34Å; P243-L344 HydrophobicContact CB-CD2 3.91Å; P243-L344 HydrophobicContact CB-CG 4.15Å; P243-T346 HydrophobicContact CB-CG2 4.06Å |
| 244 | N | 97.6 | Very high | 90.8 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 24.5 | -177.9 | -42.3 | -72.4 | 0 | 0 | 0 | 113.7 | Y242 G246 M249 P250 Y304 L344 N345 T346 | Y242-N244 PolarHBondContact O-N 2.78Å; N244-G246 VanDerWaalsContact C-N 3.35Å; N244-M249 HydrophobicContact CB-CE 4.12Å; N244-M249 HydrophobicContact CB-SD 4.36Å; N244-M249 PolarHBondContact ND2-SD 3.02Å; N244-P250 HydrophobicContact CB-CG 4.32Å; N244-P250 WeakPolarHBondContact ND2-CD 3.09Å; N244-Y304 WeakPolarHBondContact CA-OH 3.4Å; N244-Y304 WeakPolarHBondContact O-CE1 3.31Å; N244-L344 PolarHBondContact N-O 3.26Å; N244-N345 WeakPolarHBondContact OD1-CA 3.45Å; N244-T346 PolarHBondContact ND2-OG1 2.76Å; N244-T346 PolarHBondContact OD1-N 3.48Å |
| 245 | G | 95.4 | Very high | 89.2 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -1.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y242 P243 K247 Y304 | Y242-G245 PolarHBondContact O-N 3.16Å; P243-G245 PolarHBondContact O-N 2.87Å; G245-K247 PolarHBondContact O-N 3.37Å; G245-Y304 VanDerWaalsContact CA-CG 3.47Å |
| 246 | G | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 81.9 | 3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117 | H218 T219 N220 A221 P243 N244 | H218-G246 VanDerWaalsContact O-CA 3.22Å; H218-G246 WeakPolarHBondContact O-CA 3.34Å; T219-G246 CarbonylContact C-O 3.59Å; N220-G246 PolarHBondContact N-O 3.2Å; A221-G246 WeakPolarHBondContact CB-O 3.44Å; A221-G246 PolarHBondContact N-O 2.72Å; P243-G246 WeakPolarHBondContact O-CA 3.33Å; P243-G246 PolarHBondContact O-N 3.47Å; N244-G246 VanDerWaalsContact C-N 3.35Å |
| 247 | K | 90.1 | Very high | 85.2 | Confident | 80 Ų | 80 | 37.9 Ų | 37.9 | 35% | 0.348 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -110.1 | -51.8 | -176 | -63.5 | -167.2 | 171 | -161.2 | 0 | 114.3 | T219 N220 A221 A222 E227 G245 | T219-K247 CarbonylContact O-C 3.12Å; N220-K247 PolarHBondContact ND2-O 3.4Å; N220-K247 VanDerWaalsContact ND2-O 3.15Å; A221-K247 WeakPolarHBondContact O-CG 3.25Å; A222-K247 HydrophobicContact CB-CD 4.49Å; A222-K247 HydrophobicContact CB-CG 4.49Å; E227-K247 VanDerWaalsContact CD-NZ 3.34Å; E227-K247 IonicContact OE1-NZ 2.66Å; E227-K247 PolarHBondContact OE1-NZ 3.11Å; E227-K247 VanDerWaalsContact OE1-NZ 3.09Å; E227-K247 IonicContact OE2-NZ 3.12Å; E227-K247 PolarHBondContact OE2-NZ 2.91Å; G245-K247 PolarHBondContact O-N 3.37Å |
| 248 | H | 89.1 | Confident | 82.9 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 32% | 0.315 | 24% | 0.237 | S | C | . | . | trans | -129.5 | 121.5 | -175 | -56.2 | -56.2 | 0 | 0 | 0 | 108.5 | F274 | H248-F274 AromaticContact ND1-CZ 3.83Š| ||
| 249 | M | 93.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -94.2 | 136.3 | -176.1 | -60.3 | -58.4 | 103.3 | 0 | 0 | 109.9 | T219 P243 N244 G251 C252 N278 R281 F285 | T219-M249 HydrophobicContact CG2-CG 4.34Å; T219-M249 HydrophobicContact CG2-SD 3.86Å; T219-M249 VanDerWaalsContact O-CE 3.25Å; T219-M249 WeakPolarHBondContact O-CE 3.4Å; P243-M249 HydrophobicContact CG-SD 4.34Å; P243-M249 WeakPolarHBondContact O-CE 3.3Å; N244-M249 HydrophobicContact CB-CE 4.12Å; N244-M249 HydrophobicContact CB-SD 4.36Å; N244-M249 PolarHBondContact ND2-SD 3.02Å; M249-G251 PolarHBondContact O-N 2.84Å; M249-C252 WeakPolarHBondContact O-CB 3.33Å; M249-C252 PolarHBondContact O-N 2.87Å; M249-C252 VanDerWaalsContact O-N 3.11Å; M249-N278 PolarHBondContact N-OD1 3.01Å; M249-R281 HydrophobicContact CB-CB 4.28Å; M249-R281 HydrophobicContact CB-CG 3.74Å; M249-R281 HydrophobicContact CG-CB 3.75Å; M249-R281 HydrophobicContact CG-CG 3.78Å; M249-F285 HydrophobicContact CG-CE2 4.49Å; M249-F285 HydrophobicContact SD-CE2 3.73Å; M249-F285 HydrophobicContact SD-CZ 4.1Å | ||
| 250 | P | 93.5 | Very high | 78.3 | Confident | 40 Ų | 40 | 55 Ų | 55 | 26% | 0.26 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 138.1 | 173.9 | -27.5 | 35.6 | 0 | 0 | 0 | 111.8 | N244 C252 R281 S348 | N244-P250 HydrophobicContact CB-CG 4.32Å; N244-P250 WeakPolarHBondContact ND2-CD 3.09Å; P250-C252 VanDerWaalsContact C-N 3.33Å; P250-R281 PolarHBondContact O-NH2 3.38Å; P250-S348 WeakPolarHBondContact O-CA 3.34Å |
| 251 | G | 88.4 | Confident | 75.8 | Confident | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -2.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | M249 | M249-G251 PolarHBondContact O-N 2.84Š|
| 252 | C | 84.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -98.4 | -14.9 | 172 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | M249 P250 F274 C277 N278 | M249-C252 WeakPolarHBondContact O-CB 3.33Å; M249-C252 PolarHBondContact O-N 2.87Å; M249-C252 VanDerWaalsContact O-N 3.11Å; P250-C252 VanDerWaalsContact C-N 3.33Å; C252-F274 VanDerWaalsContact O-CD2 3.24Å; C252-F274 WeakPolarHBondContact O-CD2 3.31Å; C252-C277 WeakPolarHBondContact CA-SG 3.44Å; C252-C277 HydrophobicContact CB-CB 3.75Å; C252-C277 WeakPolarHBondContact CB-SG 3.32Å; C252-C277 WeakPolarHBondContact SG-CB 3.41Å; C252-C277 CovalentContact SG-SG 2.05Å; C252-C277 PolarHBondContact SG-SG 2.87Å; C252-N278 WeakPolarHBondContact CB-OD1 3.48Å; C252-N278 PolarHBondContact SG-N 2.94Å |
| 253 | E | 69.5 | Low | 71.7 | Confident | 121 Ų | 121 | 77.6 Ų | 77.6 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -71.6 | -28.8 | -176.3 | -64.8 | 176.8 | -178.6 | 0 | 0 | 113.5 | L255 I256 | E253-L255 PolarHBondContact O-N 3.35Å; E253-I256 PolarHBondContact O-N 2.85Å |
| 254 | D | 57.1 | Low | 69.8 | Low | 148 Ų | 148 | 84.1 Ų | 84.1 | 79% | 0.791 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -68.6 | 0.2 | 179.5 | -62.2 | -40.4 | 0 | 0 | 0 | 113.9 | ||
| 255 | L | 56.5 | Low | 68 | Low | 53 Ų | 53 | 88.5 Ų | 88.5 | 28% | 0.277 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -91.3 | -5.7 | -177.8 | -62.8 | 171.9 | 0 | 0 | 0 | 113.5 | E253 E270 S273 F274 C277 | E253-L255 PolarHBondContact O-N 3.35Å; L255-E270 WeakPolarHBondContact O-CB 3.29Å; L255-S273 WeakPolarHBondContact CD1-O 3.39Å; L255-F274 HydrophobicContact CB-CB 4.32Å; L255-C277 HydrophobicContact CD1-CB 3.64Å |
| 256 | I | 51.7 | Low | 66.1 | Low | 66 Ų | 66 | 90.8 Ų | 90.8 | 34% | 0.338 | 47% | 0.469 | S | S | . | . | trans | -112.8 | 94.8 | 173.3 | -58.5 | 171.5 | 0 | 0 | 0 | 108.2 | E253 F274 | E253-I256 PolarHBondContact O-N 2.85Å; I256-F274 HydrophobicContact CD1-CB 4.36Å; I256-F274 HydrophobicContact CD1-CD1 4.09Å; I256-F274 HydrophobicContact CD1-CD2 3.6Å; I256-F274 HydrophobicContact CD1-CE1 4.27Å; I256-F274 HydrophobicContact CD1-CE2 3.8Å; I256-F274 HydrophobicContact CD1-CG 3.75Å; I256-F274 HydrophobicContact CD1-CZ 4.13Å; I256-F274 HydrophobicContact CG1-CB 4.2Å; I256-F274 HydrophobicContact CG1-CD2 3.85Å; I256-F274 HydrophobicContact CG1-CE2 4.45Å; I256-F274 HydrophobicContact CG1-CG 4.06Å | ||
| 257 | T | 49.3 | Very low | 64.3 | Low | 84 Ų | 84 | 95.6 Ų | 95.6 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | trans | -69 | 135.6 | 169.8 | -35.9 | 0 | 0 | 0 | 0 | 108.5 | L259 E270 | T257-L259 PolarHBondContact O-N 3.07Å; T257-E270 PolarHBondContact OG1-OE1 3Å | ||
| 258 | P | 47.8 | Very low | 62.6 | Low | 104 Ų | 104 | 97.1 Ų | 97.1 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | trans | -54.5 | 134.2 | 178 | -24.4 | 32.3 | 0 | 0 | 0 | 111.6 | L260 | P258-L260 PolarHBondContact O-N 3.23Š| ||
| 259 | L | 48.7 | Very low | 61.1 | Low | 144 Ų | 144 | 101.7 Ų | 101.7 | 75% | 0.754 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -36.6 | 41.2 | 178.4 | -69.4 | 158.3 | 0 | 0 | 0 | 118.8 | T257 Y267 | T257-L259 PolarHBondContact O-N 3.07Å; L259-Y267 HydrophobicContact CD2-CE2 4.24Å |
| 260 | L | 46.3 | Very low | 59.4 | Low | 158 Ų | 158 | 104.4 Ų | 104.4 | 83% | 0.827 | 53% | 0.526 | S | S | * | . | trans | -116.5 | 6.2 | -178.6 | -69.6 | 174.8 | 0 | 0 | 0 | 113.8 | P258 | P258-L260 PolarHBondContact O-N 3.23Š| ||
| 261 | K | 44.4 | Very low | 57.5 | Low | 198 Ų | 198 | 103.6 Ų | 103.6 | 86% | 0.861 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -123.1 | 96.4 | 169.7 | -68.5 | -173.6 | -178.7 | 178.2 | 0 | 110.3 | N263 | K261-N263 PolarHBondContact O-N 3.21Š|
| 262 | F | 49.3 | Very low | 56.1 | Low | 216 Ų | 216 | 104 Ų | 104 | 95% | 0.947 | 52% | 0.519 | S | S | * | . | trans | -66.1 | 89.2 | 177.1 | -93.7 | -91.1 | 0 | 0 | 0 | 111.5 | ||||
| 263 | N | 59.2 | Low | 54.9 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | trans | -141.4 | 110.7 | 155.4 | -176 | -28.7 | 0 | 0 | 0 | 109.4 | K261 N265 T266 Y267 | K261-N263 PolarHBondContact O-N 3.21Å; N263-N265 PolarHBondContact O-N 2.83Å; N263-N265 WeakPolarHBondContact OD1-CB 3.37Å; N263-N265 PolarHBondContact OD1-N 2.92Å; N263-T266 WeakPolarHBondContact O-CB 3.44Å; N263-T266 PolarHBondContact O-N 3.28Å; N263-T266 PolarHBondContact OD1-N 2.86Å; N263-Y267 PolarHBondContact O-N 3.15Å | ||
| 264 | F | 58.6 | Low | 54.4 | Low | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -32.1 | -176.9 | -173.1 | -117.3 | 0 | 0 | 0 | 113.7 | K268 | F264-K268 HydrophobicContact CD1-CD 4.31Å; F264-K268 HydrophobicContact CE1-CD 4.08Å; F264-K268 HydrophobicContact CZ-CD 4.44Å; F264-K268 WeakPolarHBondContact O-CB 3.31Å; F264-K268 WeakPolarHBondContact O-CG 3.47Å; F264-K268 PolarHBondContact O-N 3.19Å |
| 265 | N | 59.7 | Low | 54.6 | Low | 107 Ų | 107 | 96 Ų | 96 | 57% | 0.572 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75 | -30.5 | 176.5 | -70.5 | -20.5 | 0 | 0 | 0 | 112.2 | N263 K269 | N263-N265 PolarHBondContact O-N 2.83Å; N263-N265 WeakPolarHBondContact OD1-CB 3.37Å; N263-N265 PolarHBondContact OD1-N 2.92Å; N265-K269 WeakPolarHBondContact O-CG 3.36Å; N265-K269 PolarHBondContact O-N 3.46Å |
| 266 | T | 57.2 | Low | 55.6 | Low | 64 Ų | 64 | 98.5 Ų | 98.5 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.8 | -45.6 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | N263 K268 K269 E270 | N263-T266 WeakPolarHBondContact O-CB 3.44Å; N263-T266 PolarHBondContact O-N 3.28Å; N263-T266 PolarHBondContact OD1-N 2.86Å; T266-K268 PolarHBondContact O-N 2.78Å; T266-K269 PolarHBondContact O-N 3.39Å; T266-K269 VanDerWaalsContact O-N 3.11Å; T266-E270 HydrophobicContact CG2-CG 4.5Å; T266-E270 WeakPolarHBondContact O-CB 3Å; T266-E270 WeakPolarHBondContact O-CG 3.43Å; T266-E270 PolarHBondContact O-N 3.22Å |
| 267 | Y | 54.7 | Low | 57.3 | Low | 101 Ų | 101 | 96.7 Ų | 96.7 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 173.4 | 178.9 | -105 | 0 | 0 | 0 | 112.7 | L259 N263 K269 E270 M271 | L259-Y267 HydrophobicContact CD2-CE2 4.24Å; N263-Y267 PolarHBondContact O-N 3.15Å; Y267-K269 PolarHBondContact O-N 3.38Å; Y267-E270 PolarHBondContact O-N 3.26Å; Y267-M271 HydrophobicContact CD1-CG 4.29Å; Y267-M271 HydrophobicContact CD2-CG 4.23Å; Y267-M271 HydrophobicContact CE1-CG 3.97Å; Y267-M271 HydrophobicContact CE2-CG 3.9Å; Y267-M271 HydrophobicContact CE2-SD 4.15Å; Y267-M271 HydrophobicContact CG-CG 4.41Å; Y267-M271 VanDerWaalsContact O-CB 3.27Å; Y267-M271 WeakPolarHBondContact O-CB 3.41Å; Y267-M271 WeakPolarHBondContact O-CG 3.41Å; Y267-M271 PolarHBondContact O-N 3.03Å |
| 268 | K | 54.9 | Low | 59.3 | Low | 113 Ų | 113 | 92.7 Ų | 92.7 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 174.8 | -82.2 | -178.4 | 173.1 | 178.4 | 0 | 113.4 | F264 T266 A272 | F264-K268 HydrophobicContact CD1-CD 4.31Å; F264-K268 HydrophobicContact CE1-CD 4.08Å; F264-K268 HydrophobicContact CZ-CD 4.44Å; F264-K268 WeakPolarHBondContact O-CB 3.31Å; F264-K268 WeakPolarHBondContact O-CG 3.47Å; F264-K268 PolarHBondContact O-N 3.19Å; T266-K268 PolarHBondContact O-N 2.78Å; K268-A272 VanDerWaalsContact O-CB 3.31Å; K268-A272 WeakPolarHBondContact O-CB 3.47Å; K268-A272 PolarHBondContact O-N 3.04Å |
| 269 | K | 58.1 | Low | 61.5 | Low | 164 Ų | 164 | 88.5 Ų | 88.5 | 71% | 0.713 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70 | -42.7 | 178.3 | -76.8 | -177.5 | 179.2 | -174.9 | 0 | 111.9 | N265 T266 Y267 A272 S273 | N265-K269 WeakPolarHBondContact O-CG 3.36Å; N265-K269 PolarHBondContact O-N 3.46Å; T266-K269 PolarHBondContact O-N 3.39Å; T266-K269 VanDerWaalsContact O-N 3.11Å; Y267-K269 PolarHBondContact O-N 3.38Å; K269-A272 PolarHBondContact O-N 2.74Å; K269-S273 VanDerWaalsContact O-CB 3.25Å; K269-S273 WeakPolarHBondContact O-CB 3.44Å; K269-S273 PolarHBondContact O-N 3.09Å |
| 270 | E | 56.8 | Low | 63.6 | Low | 57 Ų | 57 | 82.6 Ų | 82.6 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.6 | -76.6 | -179.2 | 176.6 | 0 | 0 | 111.2 | L255 T257 T266 Y267 S273 F274 | L255-E270 WeakPolarHBondContact O-CB 3.29Å; T257-E270 PolarHBondContact OG1-OE1 3Å; T266-E270 HydrophobicContact CG2-CG 4.5Å; T266-E270 WeakPolarHBondContact O-CB 3Å; T266-E270 WeakPolarHBondContact O-CG 3.43Å; T266-E270 PolarHBondContact O-N 3.22Å; Y267-E270 PolarHBondContact O-N 3.26Å; E270-S273 WeakPolarHBondContact O-CB 3.26Å; E270-S273 PolarHBondContact O-N 3.1Å; E270-F274 WeakPolarHBondContact O-CB 3.41Å; E270-F274 PolarHBondContact O-N 3.4Å |
| 271 | M | 54.6 | Low | 66 | Low | 22 Ų | 22 | 75.8 Ų | 75.8 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.7 | -72.6 | -76.5 | -64.8 | 0 | 0 | 112.5 | L228 Y267 S273 F274 F275 | L228-M271 HydrophobicContact CD1-CE 3.28Å; L228-M271 HydrophobicContact CD1-SD 3.6Å; L228-M271 HydrophobicContact CD2-CE 3.41Å; L228-M271 VanDerWaalsContact CD2-CE 3.41Å; L228-M271 HydrophobicContact CG-CE 3.9Å; Y267-M271 HydrophobicContact CD1-CG 4.29Å; Y267-M271 HydrophobicContact CD2-CG 4.23Å; Y267-M271 HydrophobicContact CE1-CG 3.97Å; Y267-M271 HydrophobicContact CE2-CG 3.9Å; Y267-M271 HydrophobicContact CE2-SD 4.15Å; Y267-M271 HydrophobicContact CG-CG 4.41Å; Y267-M271 VanDerWaalsContact O-CB 3.27Å; Y267-M271 WeakPolarHBondContact O-CB 3.41Å; Y267-M271 WeakPolarHBondContact O-CG 3.41Å; Y267-M271 PolarHBondContact O-N 3.03Å; M271-S273 VanDerWaalsContact C-N 3.33Å; M271-S273 PolarHBondContact O-N 2.94Å; M271-F274 WeakPolarHBondContact O-CB 3.38Å; M271-F274 PolarHBondContact O-N 3.27Å; M271-F275 HydrophobicContact CB-CE2 4.39Å; M271-F275 HydrophobicContact CE-CE2 3.94Å; M271-F275 HydrophobicContact CE-CZ 4.14Å; M271-F275 WeakPolarHBondContact O-CD2 3.44Å; M271-F275 WeakPolarHBondContact O-CG 3.25Å; M271-F275 PolarHBondContact O-N 2.69Å |
| 272 | A | 58.4 | Low | 68.5 | Low | 43 Ų | 43 | 66.3 Ų | 66.3 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K268 K269 F274 F275 D276 | K268-A272 VanDerWaalsContact O-CB 3.31Å; K268-A272 WeakPolarHBondContact O-CB 3.47Å; K268-A272 PolarHBondContact O-N 3.04Å; K269-A272 PolarHBondContact O-N 2.74Å; A272-F274 VanDerWaalsContact C-N 3.32Å; A272-F274 PolarHBondContact O-N 3.41Å; A272-F275 PolarHBondContact O-N 2.75Å; A272-D276 VanDerWaalsContact O-CB 3.31Å; A272-D276 WeakPolarHBondContact O-CB 3.5Å; A272-D276 PolarHBondContact O-N 3.16Å |
| 273 | S | 61.2 | Low | 70.8 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 176 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | L255 K269 E270 M271 C277 | L255-S273 WeakPolarHBondContact CD1-O 3.39Å; K269-S273 VanDerWaalsContact O-CB 3.25Å; K269-S273 WeakPolarHBondContact O-CB 3.44Å; K269-S273 PolarHBondContact O-N 3.09Å; E270-S273 WeakPolarHBondContact O-CB 3.26Å; E270-S273 PolarHBondContact O-N 3.1Å; M271-S273 VanDerWaalsContact C-N 3.33Å; M271-S273 PolarHBondContact O-N 2.94Å; S273-C277 VanDerWaalsContact O-CB 3.22Å; S273-C277 WeakPolarHBondContact O-CB 3.46Å; S273-C277 PolarHBondContact O-N 3.22Å |
| 274 | F | 57.3 | Low | 72.6 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176 | 178.2 | -92.8 | 0 | 0 | 0 | 112.5 | L228 H248 C252 L255 I256 E270 M271 A272 C277 N278 | L228-F274 HydrophobicContact CB-CE1 4.45Å; H248-F274 AromaticContact ND1-CZ 3.83Å; C252-F274 VanDerWaalsContact O-CD2 3.24Å; C252-F274 WeakPolarHBondContact O-CD2 3.31Å; L255-F274 HydrophobicContact CB-CB 4.32Å; I256-F274 HydrophobicContact CD1-CB 4.36Å; I256-F274 HydrophobicContact CD1-CD1 4.09Å; I256-F274 HydrophobicContact CD1-CD2 3.6Å; I256-F274 HydrophobicContact CD1-CE1 4.27Å; I256-F274 HydrophobicContact CD1-CE2 3.8Å; I256-F274 HydrophobicContact CD1-CG 3.75Å; I256-F274 HydrophobicContact CD1-CZ 4.13Å; I256-F274 HydrophobicContact CG1-CB 4.2Å; I256-F274 HydrophobicContact CG1-CD2 3.85Å; I256-F274 HydrophobicContact CG1-CE2 4.45Å; I256-F274 HydrophobicContact CG1-CG 4.06Å; E270-F274 WeakPolarHBondContact O-CB 3.41Å; E270-F274 PolarHBondContact O-N 3.4Å; M271-F274 WeakPolarHBondContact O-CB 3.38Å; M271-F274 PolarHBondContact O-N 3.27Å; A272-F274 VanDerWaalsContact C-N 3.32Å; A272-F274 PolarHBondContact O-N 3.41Å; F274-C277 PolarHBondContact O-N 3.48Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.3Å; F274-N278 WeakPolarHBondContact CZ-ND2 3.17Å; F274-N278 PolarHBondContact O-N 2.58Å; F274-N278 PolarHBondContact O-ND2 3.45Å |
| 275 | F | 62.1 | Low | 74.4 | Confident | 41 Ų | 41 | 50 Ų | 50 | 18% | 0.18 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -53 | 174.2 | -72.8 | -63.4 | 0 | 0 | 0 | 110.4 | L228 V230 M271 A272 C277 N278 H279 | L228-F275 HydrophobicContact CB-CD1 4.48Å; L228-F275 HydrophobicContact CB-CE1 3.61Å; L228-F275 HydrophobicContact CB-CZ 3.8Å; L228-F275 HydrophobicContact CD2-CE1 4.46Å; L228-F275 HydrophobicContact CD2-CZ 3.86Å; L228-F275 HydrophobicContact CG-CZ 4.37Å; L228-F275 WeakPolarHBondContact O-CD1 3.26Å; L228-F275 WeakPolarHBondContact O-CE1 3.43Å; V230-F275 HydrophobicContact CG1-CD1 3.64Å; V230-F275 HydrophobicContact CG1-CE1 3.93Å; V230-F275 HydrophobicContact CG1-CG 4.33Å; M271-F275 HydrophobicContact CB-CE2 4.39Å; M271-F275 HydrophobicContact CE-CE2 3.94Å; M271-F275 HydrophobicContact CE-CZ 4.14Å; M271-F275 WeakPolarHBondContact O-CD2 3.44Å; M271-F275 WeakPolarHBondContact O-CG 3.25Å; M271-F275 PolarHBondContact O-N 2.69Å; A272-F275 PolarHBondContact O-N 2.75Å; F275-C277 VanDerWaalsContact C-N 3.28Å; F275-C277 PolarHBondContact O-N 2.91Å; F275-N278 PolarHBondContact O-N 2.76Å; F275-H279 WeakPolarHBondContact O-CB 3.25Å; F275-H279 PolarHBondContact O-N 3.37Å |
| 276 | D | 77.6 | Confident | 76.3 | Confident | 105 Ų | 105 | 45 Ų | 45 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.9 | -38.5 | -177.5 | -70.2 | -18.3 | 0 | 0 | 0 | 110.9 | A272 A280 | A272-D276 VanDerWaalsContact O-CB 3.31Å; A272-D276 WeakPolarHBondContact O-CB 3.5Å; A272-D276 PolarHBondContact O-N 3.16Å; D276-A280 WeakPolarHBondContact O-CB 3.44Å; D276-A280 PolarHBondContact O-N 3.43Å |
| 277 | C | 88 | Confident | 78.2 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -57.2 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | C252 L255 S273 F274 F275 H279 A280 R281 | C252-C277 WeakPolarHBondContact CA-SG 3.44Å; C252-C277 HydrophobicContact CB-CB 3.75Å; C252-C277 WeakPolarHBondContact CB-SG 3.32Å; C252-C277 WeakPolarHBondContact SG-CB 3.41Å; C252-C277 CovalentContact SG-SG 2.05Å; C252-C277 PolarHBondContact SG-SG 2.87Å; L255-C277 HydrophobicContact CD1-CB 3.64Å; S273-C277 VanDerWaalsContact O-CB 3.22Å; S273-C277 WeakPolarHBondContact O-CB 3.46Å; S273-C277 PolarHBondContact O-N 3.22Å; F274-C277 PolarHBondContact O-N 3.48Å; F275-C277 VanDerWaalsContact C-N 3.28Å; F275-C277 PolarHBondContact O-N 2.91Å; C277-H279 VanDerWaalsContact C-N 3.28Å; C277-H279 PolarHBondContact O-N 2.96Å; C277-A280 PolarHBondContact O-N 2.91Å; C277-R281 VanDerWaalsContact O-CG 3.25Å; C277-R281 WeakPolarHBondContact O-CG 3.34Å; C277-R281 PolarHBondContact O-N 3.34Å |
| 278 | N | 91.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | -178.4 | -70.7 | -71.2 | 0 | 0 | 0 | 111.3 | T219 N220 M249 C252 F274 F275 R281 | T219-N278 WeakPolarHBondContact CB-O 3.1Å; T219-N278 PolarHBondContact OG1-O 2.82Å; N220-N278 HydrophobicContact CB-CB 3.91Å; M249-N278 PolarHBondContact N-OD1 3.01Å; C252-N278 WeakPolarHBondContact CB-OD1 3.48Å; C252-N278 PolarHBondContact SG-N 2.94Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.3Å; F274-N278 WeakPolarHBondContact CZ-ND2 3.17Å; F274-N278 PolarHBondContact O-N 2.58Å; F274-N278 PolarHBondContact O-ND2 3.45Å; F275-N278 PolarHBondContact O-N 2.76Å; N278-R281 WeakPolarHBondContact O-CB 3.23Å |
| 279 | H | 93 | Very high | 82.2 | Confident | 16 Ų | 16 | 33.6 Ų | 33.6 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.9 | -38.1 | -179.1 | -166.6 | 46.9 | 0 | 0 | 0 | 112.8 | H167 S168 D191 V230 F275 C277 R281 S282 | H167-H279 AromaticContact CE1-CD2 3.62Å; H167-H279 AromaticContact CE1-NE2 3.78Å; H167-H279 AromaticContact NE2-CD2 3.81Å; H167-H279 AromaticContact NE2-CG 3.85Å; H167-H279 AromaticContact NE2-ND1 3.98Å; H167-H279 AromaticContact NE2-NE2 3.93Å; H167-H279 PolarHBondContact NE2-O 2.94Å; S168-H279 WeakPolarHBondContact CB-NE2 3.49Å; S168-H279 PolarHBondContact OG-CE1 3.46Å; S168-H279 PolarHBondContact OG-NE2 2.85Å; D191-H279 PolarHBondContact O-CE1 3.17Å; D191-H279 IonicContact OD2-CE1 3.54Å; D191-H279 IonicContact OD2-CG 2.74Å; D191-H279 IonicContact OD2-ND1 3.83Å; D191-H279 PolarHBondContact OD2-ND1 3.01Å; V230-H279 HydrophobicContact CG2-CB 3.84Å; F275-H279 WeakPolarHBondContact O-CB 3.25Å; F275-H279 PolarHBondContact O-N 3.37Å; C277-H279 VanDerWaalsContact C-N 3.28Å; C277-H279 PolarHBondContact O-N 2.96Å; H279-R281 VanDerWaalsContact C-N 3.32Å; H279-R281 PolarHBondContact O-N 2.93Å; H279-S282 PolarHBondContact O-OG 2.91Å |
| 280 | A | 93.1 | Very high | 84 | Confident | 19 Ų | 19 | 25.9 Ų | 25.9 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.3 | -22.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D276 C277 S282 H283 Q284 | D276-A280 WeakPolarHBondContact O-CB 3.44Å; D276-A280 PolarHBondContact O-N 3.43Å; C277-A280 PolarHBondContact O-N 2.91Å; A280-S282 PolarHBondContact O-N 3.26Å; A280-S282 VanDerWaalsContact O-N 3.17Å; A280-H283 VanDerWaalsContact CA-NE2 3.34Å; A280-H283 WeakPolarHBondContact CA-NE2 3.22Å; A280-H283 VanDerWaalsContact CB-NE2 3.31Å; A280-H283 WeakPolarHBondContact CB-NE2 3.42Å; A280-H283 PolarHBondContact O-CD2 3.42Å; A280-H283 VanDerWaalsContact O-CD2 3.27Å; A280-H283 PolarHBondContact O-CE1 3.42Å; A280-H283 VanDerWaalsContact O-CG 3.28Å; A280-H283 PolarHBondContact O-N 3.24Å; A280-H283 PolarHBondContact O-ND1 3.16Å; A280-H283 PolarHBondContact O-NE2 3.15Å; A280-Q284 WeakPolarHBondContact O-CG 3.25Å; A280-Q284 PolarHBondContact O-N 3.4Å; A280-Q284 VanDerWaalsContact O-N 3.15Å |
| 281 | R | 96.3 | Very high | 85.8 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.7 | -32.3 | 179.9 | -79.8 | -80.3 | -162.9 | -126.4 | 5.9 | 113.2 | T219 M249 P250 C277 N278 H279 H283 Q284 F285 S348 F352 | T219-R281 HydrophobicContact CG2-CB 4.02Å; M249-R281 HydrophobicContact CB-CB 4.28Å; M249-R281 HydrophobicContact CB-CG 3.74Å; M249-R281 HydrophobicContact CG-CB 3.75Å; M249-R281 HydrophobicContact CG-CG 3.78Å; P250-R281 PolarHBondContact O-NH2 3.38Å; C277-R281 VanDerWaalsContact O-CG 3.25Å; C277-R281 WeakPolarHBondContact O-CG 3.34Å; C277-R281 PolarHBondContact O-N 3.34Å; N278-R281 WeakPolarHBondContact O-CB 3.23Å; H279-R281 VanDerWaalsContact C-N 3.32Å; H279-R281 PolarHBondContact O-N 2.93Å; R281-H283 PolarHBondContact O-N 3.3Å; R281-Q284 PolarHBondContact O-N 3.47Å; R281-F285 HydrophobicContact CB-CD2 4.36Å; R281-F285 HydrophobicContact CB-CE1 4.47Å; R281-F285 HydrophobicContact CB-CE2 3.89Å; R281-F285 HydrophobicContact CB-CZ 3.95Å; R281-F285 HydrophobicContact CG-CZ 4.24Å; R281-F285 WeakPolarHBondContact O-CB 3.23Å; R281-F285 VanDerWaalsContact O-CD2 3.26Å; R281-F285 WeakPolarHBondContact O-CD2 3.41Å; R281-F285 WeakPolarHBondContact O-CG 3.14Å; R281-F285 PolarHBondContact O-N 2.97Å; R281-S348 PolarHBondContact NH2-O 3.03Å; R281-F352 VanDerWaalsContact CZ-CE1 3.43Å |
| 282 | S | 97.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.9 | -50.4 | 177 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | H167 T219 H279 A280 Y286 | H167-S282 PolarHBondContact CD2-OG 3.32Å; T219-S282 PolarHBondContact OG1-N 2.67Å; H279-S282 PolarHBondContact O-OG 2.91Å; A280-S282 PolarHBondContact O-N 3.26Å; A280-S282 VanDerWaalsContact O-N 3.17Å; S282-Y286 WeakPolarHBondContact O-CB 3.47Å; S282-Y286 PolarHBondContact O-N 3.48Å |
| 283 | H | 96.6 | Very high | 89 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 12% | 0.12 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.8 | -27.3 | 177.9 | 68.2 | 68.9 | 0 | 0 | 0 | 113 | W102 M106 H167 L190 A280 R281 A287 | W102-H283 HydrophobicContact CD2-CB 4.33Å; W102-H283 HydrophobicContact CE3-CB 3.99Å; W102-H283 HydrophobicContact CZ3-CB 4.42Å; M106-H283 HydrophobicContact CE-CB 4.37Å; M106-H283 WeakPolarHBondContact CE-O 3.47Å; H167-H283 AromaticContact CD2-CD2 3.81Å; H167-H283 AromaticContact NE2-CD2 3.79Å; L190-H283 HydrophobicContact CD1-CB 3.76Å; A280-H283 VanDerWaalsContact CA-NE2 3.34Å; A280-H283 WeakPolarHBondContact CA-NE2 3.22Å; A280-H283 VanDerWaalsContact CB-NE2 3.31Å; A280-H283 WeakPolarHBondContact CB-NE2 3.42Å; A280-H283 PolarHBondContact O-CD2 3.42Å; A280-H283 VanDerWaalsContact O-CD2 3.27Å; A280-H283 PolarHBondContact O-CE1 3.42Å; A280-H283 VanDerWaalsContact O-CG 3.28Å; A280-H283 PolarHBondContact O-N 3.24Å; A280-H283 PolarHBondContact O-ND1 3.16Å; A280-H283 PolarHBondContact O-NE2 3.15Å; R281-H283 PolarHBondContact O-N 3.3Å; H283-A287 WeakPolarHBondContact O-CB 3.29Å; H283-A287 PolarHBondContact O-N 2.87Å |
| 284 | Q | 96.7 | Very high | 90.2 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 172.9 | -67.7 | 175.9 | -7.6 | 0 | 0 | 111.9 | A280 R281 Y286 A287 E288 F352 | A280-Q284 WeakPolarHBondContact O-CG 3.25Å; A280-Q284 PolarHBondContact O-N 3.4Å; A280-Q284 VanDerWaalsContact O-N 3.15Å; R281-Q284 PolarHBondContact O-N 3.47Å; Q284-Y286 VanDerWaalsContact C-N 3.33Å; Q284-A287 PolarHBondContact O-N 3.39Å; Q284-E288 PolarHBondContact O-N 3.37Å; Q284-F352 HydrophobicContact CB-CE2 4.03Å |
| 285 | F | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 175.5 | -61.7 | -26.8 | 0 | 0 | 0 | 111.2 | T219 P243 M249 R281 E288 S289 M323 T346 F352 | T219-F285 HydrophobicContact CG2-CD2 3.88Å; T219-F285 HydrophobicContact CG2-CE2 3.77Å; P243-F285 HydrophobicContact CB-CD2 4.27Å; P243-F285 HydrophobicContact CB-CE2 3.94Å; P243-F285 HydrophobicContact CG-CD2 3.99Å; P243-F285 HydrophobicContact CG-CE2 3.85Å; M249-F285 HydrophobicContact CG-CE2 4.49Å; M249-F285 HydrophobicContact SD-CE2 3.73Å; M249-F285 HydrophobicContact SD-CZ 4.1Å; R281-F285 HydrophobicContact CB-CD2 4.36Å; R281-F285 HydrophobicContact CB-CE1 4.47Å; R281-F285 HydrophobicContact CB-CE2 3.89Å; R281-F285 HydrophobicContact CB-CZ 3.95Å; R281-F285 HydrophobicContact CG-CZ 4.24Å; R281-F285 WeakPolarHBondContact O-CB 3.23Å; R281-F285 VanDerWaalsContact O-CD2 3.26Å; R281-F285 WeakPolarHBondContact O-CD2 3.41Å; R281-F285 WeakPolarHBondContact O-CG 3.14Å; R281-F285 PolarHBondContact O-N 2.97Å; F285-E288 PolarHBondContact O-N 2.95Å; F285-S289 WeakPolarHBondContact O-CB 3.3Å; F285-S289 PolarHBondContact O-N 2.94Å; F285-M323 HydrophobicContact CB-CE 3.64Å; F285-M323 HydrophobicContact CD2-CE 4.05Å; F285-M323 HydrophobicContact CG-CE 4.11Å; F285-T346 HydrophobicContact CD1-CG2 4.39Å; F285-T346 HydrophobicContact CE1-CG2 4.06Å; F285-T346 HydrophobicContact CE2-CG2 4.19Å; F285-T346 HydrophobicContact CZ-CG2 3.94Å; F285-T346 WeakPolarHBondContact CZ-OG1 3.31Å; F285-F352 HydrophobicContact CD1-CB 3.85Å; F285-F352 HydrophobicContact CD1-CD1 4.38Å; F285-F352 AromaticContact CD1-CD2 3.72Å; F285-F352 HydrophobicContact CD1-CD2 3.72Å; F285-F352 HydrophobicContact CD1-CE2 4.45Å; F285-F352 AromaticContact CD1-CG 3.72Å; F285-F352 HydrophobicContact CD1-CG 3.72Å; F285-F352 HydrophobicContact CE1-CB 3.84Å; F285-F352 AromaticContact CE1-CD1 3.81Å; F285-F352 HydrophobicContact CE1-CD1 3.81Å; F285-F352 AromaticContact CE1-CD2 3.98Å; F285-F352 HydrophobicContact CE1-CD2 3.98Å; F285-F352 HydrophobicContact CE1-CE1 4.41Å; F285-F352 AromaticContact CE1-CG 3.59Å; F285-F352 HydrophobicContact CE1-CG 3.59Å |
| 286 | Y | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -50 | 175 | -169 | -78.8 | 0 | 0 | 0 | 111.1 | M106 H163 I165 T188 L190 I217 S282 Q284 E288 S289 I290 H325 | M106-Y286 HydrophobicContact CE-CD1 3.63Å; M106-Y286 HydrophobicContact CE-CE1 4.47Å; M106-Y286 HydrophobicContact CE-CG 4.29Å; M106-Y286 HydrophobicContact SD-CD1 3.59Å; M106-Y286 VanDerWaalsContact SD-CD1 3.59Å; M106-Y286 HydrophobicContact SD-CE1 4.02Å; H163-Y286 PolarHBondContact CE1-OH 2.93Å; I165-Y286 HydrophobicContact CD1-CE1 3.98Å; T188-Y286 HydrophobicContact CG2-CD2 3.9Å; T188-Y286 HydrophobicContact CG2-CE2 3.65Å; L190-Y286 HydrophobicContact CD2-CD2 3.74Å; L190-Y286 HydrophobicContact CD2-CG 3.99Å; I217-Y286 HydrophobicContact CD1-CD2 4.12Å; S282-Y286 WeakPolarHBondContact O-CB 3.47Å; S282-Y286 PolarHBondContact O-N 3.48Å; Q284-Y286 VanDerWaalsContact C-N 3.33Å; Y286-E288 VanDerWaalsContact C-N 3.34Å; Y286-E288 PolarHBondContact O-N 3.33Å; Y286-S289 WeakPolarHBondContact O-CB 3Å; Y286-S289 PolarHBondContact O-N 3.01Å; Y286-S289 VanDerWaalsContact O-N 3.12Å; Y286-S289 PolarHBondContact O-OG 3.32Å; Y286-I290 HydrophobicContact CD1-CD1 4.47Å; Y286-I290 HydrophobicContact CD1-CG1 4.49Å; Y286-I290 HydrophobicContact CE1-CD1 4.41Å; Y286-I290 HydrophobicContact CE1-CG1 4.39Å; Y286-I290 PolarHBondContact O-N 3.39Å; Y286-H325 HydrophobicContact CE1-CB 4.3Å |
| 287 | A | 96.8 | Very high | 94.4 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 17% | 0.174 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M106 H283 Q284 S289 I290 | M106-A287 HydrophobicContact CE-CB 3.94Å; M106-A287 HydrophobicContact SD-CB 4.02Å; H283-A287 WeakPolarHBondContact O-CB 3.29Å; H283-A287 PolarHBondContact O-N 2.87Å; Q284-A287 PolarHBondContact O-N 3.39Å; A287-S289 VanDerWaalsContact C-N 3.33Å; A287-S289 PolarHBondContact O-N 2.84Å; A287-I290 WeakPolarHBondContact O-CB 3.36Å; A287-I290 PolarHBondContact O-N 2.93Å |
| 288 | E | 96.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 22 Ų | 22 | 8% | 0.075 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -32.2 | 177.5 | -169.1 | 176.8 | 133 | 0 | 0 | 112.8 | Q284 F285 Y286 I290 L291 N292 F296 P351 F352 A353 | Q284-E288 PolarHBondContact O-N 3.37Å; F285-E288 PolarHBondContact O-N 2.95Å; Y286-E288 VanDerWaalsContact C-N 3.34Å; Y286-E288 PolarHBondContact O-N 3.33Å; E288-I290 PolarHBondContact O-N 3.49Å; E288-L291 PolarHBondContact O-N 3.34Å; E288-L291 VanDerWaalsContact O-N 3.12Å; E288-N292 PolarHBondContact O-N 3.27Å; E288-N292 PolarHBondContact O-ND2 2.8Å; E288-N292 VanDerWaalsContact O-ND2 3.16Å; E288-F296 HydrophobicContact CB-CE2 4.27Å; E288-F296 HydrophobicContact CB-CZ 4.07Å; E288-F296 HydrophobicContact CG-CE2 4.16Å; E288-F296 HydrophobicContact CG-CZ 4.04Å; E288-P351 WeakPolarHBondContact OE1-CA 3.41Å; E288-P351 WeakPolarHBondContact OE2-CA 3.36Å; E288-F352 PolarHBondContact OE1-N 3.12Å; E288-F352 WeakPolarHBondContact OE2-CD2 3.46Å; E288-F352 PolarHBondContact OE2-N 3.47Å; E288-A353 WeakPolarHBondContact OE1-CB 3.27Å; E288-A353 PolarHBondContact OE1-N 3.4Å |
| 289 | S | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -25.1 | 177.6 | 78.5 | 0 | 0 | 0 | 0 | 113.4 | F285 Y286 A287 L291 N292 M323 G324 H325 | F285-S289 WeakPolarHBondContact O-CB 3.3Å; F285-S289 PolarHBondContact O-N 2.94Å; Y286-S289 WeakPolarHBondContact O-CB 3Å; Y286-S289 PolarHBondContact O-N 3.01Å; Y286-S289 VanDerWaalsContact O-N 3.12Å; Y286-S289 PolarHBondContact O-OG 3.32Å; A287-S289 VanDerWaalsContact C-N 3.33Å; A287-S289 PolarHBondContact O-N 2.84Å; S289-L291 VanDerWaalsContact C-N 3.29Å; S289-L291 PolarHBondContact O-N 3.47Å; S289-N292 CarbonylContact O-C 3.57Å; S289-N292 PolarHBondContact O-N 2.93Å; S289-M323 WeakPolarHBondContact CB-O 3.28Å; S289-G324 WeakPolarHBondContact OG-CA 3.31Å; S289-H325 PolarHBondContact OG-N 3.24Å |
| 290 | I | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.4 | -50.9 | 169.7 | 0 | 0 | 0 | 109.5 | M106 V109 L110 L113 Y286 A287 E288 H325 F326 | M106-I290 HydrophobicContact SD-CD1 3.68Å; V109-I290 HydrophobicContact CB-CD1 4.15Å; V109-I290 HydrophobicContact CG1-CB 3.84Å; V109-I290 HydrophobicContact CG1-CD1 3.71Å; V109-I290 HydrophobicContact CG1-CG1 4.33Å; V109-I290 HydrophobicContact CG1-CG2 4.09Å; L110-I290 HydrophobicContact CD2-CD1 3.67Å; L110-I290 HydrophobicContact CD2-CG1 4.34Å; L110-I290 HydrophobicContact CD2-CG2 4.33Å; L110-I290 HydrophobicContact CG-CD1 3.8Å; L113-I290 HydrophobicContact CD1-CG2 3.65Å; L113-I290 WeakPolarHBondContact CD1-O 3.4Å; Y286-I290 HydrophobicContact CD1-CD1 4.47Å; Y286-I290 HydrophobicContact CD1-CG1 4.49Å; Y286-I290 HydrophobicContact CE1-CD1 4.41Å; Y286-I290 HydrophobicContact CE1-CG1 4.39Å; Y286-I290 PolarHBondContact O-N 3.39Å; A287-I290 WeakPolarHBondContact O-CB 3.36Å; A287-I290 PolarHBondContact O-N 2.93Å; E288-I290 PolarHBondContact O-N 3.49Å; I290-H325 HydrophobicContact CB-CB 4.35Å; I290-H325 HydrophobicContact CG1-CB 3.77Å; I290-F326 WeakPolarHBondContact O-CE2 3.06Å |
| 291 | L | 93.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 22 Ų | 22 | 45% | 0.45 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -81.2 | -22.9 | -179.6 | -58.7 | 176.5 | 0 | 0 | 0 | 112.8 | V109 L113 E288 S289 | V109-L291 HydrophobicContact CG1-CD1 4.33Å; V109-L291 HydrophobicContact CG1-CD2 3.93Å; V109-L291 HydrophobicContact CG1-CG 3.87Å; L113-L291 HydrophobicContact CD1-CD2 3.83Å; E288-L291 PolarHBondContact O-N 3.34Å; E288-L291 VanDerWaalsContact O-N 3.12Å; S289-L291 VanDerWaalsContact C-N 3.29Å; S289-L291 PolarHBondContact O-N 3.47Å |
| 292 | N | 92.1 | Very high | 95 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | trans | -129 | 73.3 | -171.6 | -63 | -82.9 | 0 | 0 | 0 | 112.3 | E288 S289 D294 A295 F296 | E288-N292 PolarHBondContact O-N 3.27Å; E288-N292 PolarHBondContact O-ND2 2.8Å; E288-N292 VanDerWaalsContact O-ND2 3.16Å; S289-N292 CarbonylContact O-C 3.57Å; S289-N292 PolarHBondContact O-N 2.93Å; N292-D294 PolarHBondContact O-N 3.22Å; N292-A295 HydrophobicContact CB-CB 3.67Å; N292-A295 PolarHBondContact O-N 3.09Å; N292-F296 HydrophobicContact CB-CE2 4.34Å | ||
| 293 | P | 88.6 | Confident | 94.9 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 29% | 0.286 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28 | -174.2 | 18.1 | -30.9 | 0 | 0 | 0 | 114.9 | T322 F326 | P293-T322 WeakPolarHBondContact O-CB 3.47Å; P293-T322 PolarHBondContact O-OG1 2.86Å; P293-F326 HydrophobicContact CB-CD2 3.52Å; P293-F326 HydrophobicContact CB-CE2 3.58Å; P293-F326 HydrophobicContact CB-CG 4.32Å; P293-F326 HydrophobicContact CB-CZ 4.43Å; P293-F326 HydrophobicContact CG-CE2 4.24Å |
| 294 | D | 86.6 | Confident | 94.8 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 4.9 | -172.2 | -70.2 | -42.8 | 0 | 0 | 0 | 114.4 | N292 W355 K443 | N292-D294 PolarHBondContact O-N 3.22Å; D294-W355 PolarHBondContact O-NE1 3.5Å; D294-K443 IonicContact OD1-NZ 2.7Å; D294-K443 PolarHBondContact OD1-NZ 2.77Å |
| 295 | A | 89.8 | Confident | 94.7 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -99.8 | -11.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N292 A353 R354 W355 | N292-A295 HydrophobicContact CB-CB 3.67Å; N292-A295 PolarHBondContact O-N 3.09Å; A295-A353 HydrophobicContact CB-CB 3.44Å; A295-A353 VanDerWaalsContact CB-CB 3.44Å; A295-R354 PolarHBondContact O-N 3.32Å; A295-W355 HydrophobicContact CB-CH2 4Å; A295-W355 HydrophobicContact CB-CZ2 3.52Å |
| 296 | F | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | trans | -118.3 | 44 | -175.1 | -63.5 | -84.6 | 0 | 0 | 0 | 111.3 | E288 N292 A298 T322 M323 L344 T346 F352 A353 | E288-F296 HydrophobicContact CB-CE2 4.27Å; E288-F296 HydrophobicContact CB-CZ 4.07Å; E288-F296 HydrophobicContact CG-CE2 4.16Å; E288-F296 HydrophobicContact CG-CZ 4.04Å; N292-F296 HydrophobicContact CB-CE2 4.34Å; F296-A298 PolarHBondContact O-N 2.96Å; F296-T322 CarbonylContact O-C 3.6Å; F296-T322 WeakPolarHBondContact O-CA 3.48Å; F296-M323 HydrophobicContact CB-CB 4.05Å; F296-M323 HydrophobicContact CB-CE 4.32Å; F296-M323 HydrophobicContact CD1-CE 3.64Å; F296-M323 HydrophobicContact CE1-CE 4.29Å; F296-M323 HydrophobicContact CG-CE 4.22Å; F296-M323 PolarHBondContact O-N 2.76Å; F296-L344 HydrophobicContact CB-CD1 3.83Å; F296-L344 HydrophobicContact CD1-CD1 4.1Å; F296-L344 HydrophobicContact CG-CD1 4.49Å; F296-L344 WeakPolarHBondContact O-CD1 3.24Å; F296-T346 HydrophobicContact CD1-CG2 4.26Å; F296-T346 HydrophobicContact CE1-CG2 4.12Å; F296-F352 HydrophobicContact CE1-CB 4.16Å; F296-F352 HydrophobicContact CZ-CB 4.21Å; F296-A353 HydrophobicContact CZ-CB 4.49Å | ||
| 297 | I | 97.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 120.7 | -179.7 | -57.2 | -57.9 | 0 | 0 | 0 | 110.1 | Y299 C320 L344 K443 | I297-Y299 HydrophobicContact CG2-CE2 4.16Å; I297-Y299 WeakPolarHBondContact O-CE2 3.49Å; I297-C320 HydrophobicContact CG2-CB 3.51Å; I297-L344 WeakPolarHBondContact O-CB 3.49Å; I297-K443 HydrophobicContact CD1-CD 3.83Å; I297-K443 HydrophobicContact CD1-CG 4.18Å; I297-K443 HydrophobicContact CG1-CB 4.39Å; I297-K443 HydrophobicContact CG1-CD 3.98Å; I297-K443 HydrophobicContact CG1-CG 4.13Å |
| 298 | A | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -108.6 | 129 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F241 F296 C320 P321 F343 L344 | F241-A298 HydrophobicContact CD1-CB 3.49Å; F241-A298 VanDerWaalsContact CD1-CB 3.49Å; F241-A298 HydrophobicContact CE1-CB 3.7Å; F296-A298 PolarHBondContact O-N 2.96Å; A298-C320 VanDerWaalsContact O-CB 3.26Å; A298-C320 WeakPolarHBondContact O-CB 2.96Å; A298-C320 PolarHBondContact O-SG 3.01Å; A298-P321 PolarHBondContact N-O 3.4Å; A298-F343 CarbonylContact C-O 3.56Å; A298-F343 WeakPolarHBondContact CA-O 3.3Å; A298-L344 HydrophobicContact CB-CB 4.43Å; A298-L344 HydrophobicContact CB-CD2 3.98Å | ||
| 299 | Y | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.2 | -171.4 | -64 | -95.9 | 0 | 0 | 0 | 110.3 | I297 C301 F307 C312 F343 R356 G442 | I297-Y299 HydrophobicContact CG2-CE2 4.16Å; I297-Y299 WeakPolarHBondContact O-CE2 3.49Å; Y299-C301 PolarHBondContact O-N 2.86Å; Y299-F307 HydrophobicContact CD2-CD2 4.44Å; Y299-F307 AromaticContact CD2-CE2 3.59Å; Y299-F307 HydrophobicContact CD2-CE2 3.59Å; Y299-F307 HydrophobicContact CD2-CZ 4.43Å; Y299-F307 HydrophobicContact CE2-CE2 4.4Å; Y299-F307 HydrophobicContact CG-CD2 4.42Å; Y299-F307 AromaticContact CG-CE2 3.97Å; Y299-F307 HydrophobicContact CG-CE2 3.97Å; Y299-C312 WeakPolarHBondContact CD1-O 3.38Å; Y299-F343 PolarHBondContact N-O 3.16Å; Y299-F343 PolarHBondContact O-N 2.91Å; Y299-R356 HydrophobicContact CE2-CB 4.12Å; Y299-G442 WeakPolarHBondContact CE1-O 3.31Å; Y299-G442 VanDerWaalsContact OH-CA 3.25Å; Y299-G442 WeakPolarHBondContact OH-CA 3.42Å; Y299-G442 PolarHBondContact OH-O 3.01Å |
| 300 | P | 94.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124.1 | 173.5 | 26 | -31.9 | 0 | 0 | 0 | 109.7 | P316 L340 Y341 Y342 | P300-P316 HydrophobicContact CG-CG 4.03Å; P300-L340 HydrophobicContact CB-CB 4.5Å; P300-L340 HydrophobicContact CB-CD1 4.27Å; P300-Y341 CarbonylContact C-O 3.53Å; P300-Y341 WeakPolarHBondContact CA-O 3.48Å; P300-Y342 HydrophobicContact CB-CD1 4.13Å; P300-Y342 HydrophobicContact CB-CE1 3.8Å; P300-Y342 HydrophobicContact CG-CE1 4.33Å |
| 301 | C | 94.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.1 | -177.2 | -155.1 | 0 | 0 | 0 | 0 | 111.9 | Y299 F307 C312 Y341 F343 | Y299-C301 PolarHBondContact O-N 2.86Å; C301-F307 HydrophobicContact CB-CB 4.3Å; C301-F307 PolarHBondContact SG-N 3.43Å; C301-F307 VanDerWaalsContact SG-N 3.36Å; C301-C312 WeakPolarHBondContact CA-SG 3.33Å; C301-C312 HydrophobicContact CB-CB 3.53Å; C301-C312 WeakPolarHBondContact CB-SG 3.49Å; C301-C312 WeakPolarHBondContact SG-CB 3.42Å; C301-C312 CovalentContact SG-SG 2.02Å; C301-C312 PolarHBondContact SG-SG 2.7Å; C301-Y341 PolarHBondContact N-O 3.29Å; C301-Y341 PolarHBondContact O-N 3.47Å; C301-Y341 VanDerWaalsContact O-N 3.1Å; C301-F343 HydrophobicContact CB-CD2 3.72Å; C301-F343 HydrophobicContact CB-CE2 4.12Å |
| 302 | R | 92.5 | Very high | 94.1 | Very high | 213 Ų | 213 | 48.5 Ų | 48.5 | 80% | 0.804 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.3 | -27 | 179.5 | -64.9 | -176.5 | -179.1 | 179.5 | -0.1 | 113.8 | ||
| 303 | S | 93.6 | Very high | 94.2 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | trans | -161.7 | 157.2 | 179 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | T305 S306 F307 | S303-T305 VanDerWaalsContact C-N 3.26Å; S303-T305 PolarHBondContact O-N 3.39Å; S303-S306 WeakPolarHBondContact O-CB 3.45Å; S303-S306 PolarHBondContact O-N 2.95Å; S303-S306 WeakPolarHBondContact OG-CB 3.37Å; S303-S306 PolarHBondContact OG-N 3.38Å; S303-F307 PolarHBondContact O-N 3.22Å | ||
| 304 | Y | 95.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 176.8 | -174.5 | -128.6 | 0 | 0 | 0 | 112.3 | N244 G245 F307 K308 F343 N345 | N244-Y304 WeakPolarHBondContact CA-OH 3.4Å; N244-Y304 WeakPolarHBondContact O-CE1 3.31Å; G245-Y304 VanDerWaalsContact CA-CG 3.47Å; Y304-F307 AromaticContact CD2-CD1 3.63Å; Y304-F307 HydrophobicContact CD2-CD1 3.63Å; Y304-F307 HydrophobicContact CD2-CE1 4.33Å; Y304-F307 HydrophobicContact CD2-CG 4.45Å; Y304-F307 AromaticContact CE2-CD1 3.57Å; Y304-F307 HydrophobicContact CE2-CD1 3.57Å; Y304-F307 AromaticContact CE2-CE1 3.85Å; Y304-F307 HydrophobicContact CE2-CE1 3.85Å; Y304-F307 WeakPolarHBondContact O-CB 3.42Å; Y304-F307 PolarHBondContact O-N 2.05Å; Y304-K308 HydrophobicContact CD1-CD 4.25Å; Y304-K308 HydrophobicContact CD2-CG 4.47Å; Y304-K308 HydrophobicContact CE1-CD 3.77Å; Y304-K308 HydrophobicContact CE1-CG 4.2Å; Y304-K308 HydrophobicContact CE2-CG 4.12Å; Y304-K308 WeakPolarHBondContact O-CG 3.32Å; Y304-K308 PolarHBondContact O-N 2.66Å; Y304-F343 HydrophobicContact CD2-CB 4.3Å; Y304-F343 AromaticContact CD2-CD1 3.75Å; Y304-F343 HydrophobicContact CD2-CD1 3.75Å; Y304-F343 HydrophobicContact CD2-CE1 4.39Å; Y304-F343 HydrophobicContact CD2-CG 4.14Å; Y304-F343 HydrophobicContact CG-CD1 4.22Å; Y304-F343 HydrophobicContact CG-CE1 4.42Å; Y304-F343 VanDerWaalsContact N-CZ 3.29Å; Y304-N345 WeakPolarHBondContact CE2-OD1 3.48Å; Y304-N345 PolarHBondContact OH-OD1 3.07Å |
| 305 | T | 95.8 | Very high | 94.9 | Very high | 93 Ų | 93 | 46.4 Ų | 46.4 | 57% | 0.571 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.9 | -46.6 | 173.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | S303 F307 K308 T309 | S303-T305 VanDerWaalsContact C-N 3.26Å; S303-T305 PolarHBondContact O-N 3.39Å; T305-F307 VanDerWaalsContact C-N 3.29Å; T305-F307 PolarHBondContact O-N 2.84Å; T305-K308 PolarHBondContact O-N 2.84Å; T305-T309 PolarHBondContact O-N 3.03Å; T305-T309 PolarHBondContact O-OG1 3.11Å |
| 306 | S | 95.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 177.4 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | S303 T309 G310 N311 | S303-S306 WeakPolarHBondContact O-CB 3.45Å; S303-S306 PolarHBondContact O-N 2.95Å; S303-S306 WeakPolarHBondContact OG-CB 3.37Å; S303-S306 PolarHBondContact OG-N 3.38Å; S306-T309 PolarHBondContact O-OG1 3.47Å; S306-T309 VanDerWaalsContact O-OG1 3.14Å; S306-G310 PolarHBondContact O-N 3.27Å; S306-N311 WeakPolarHBondContact O-CB 3.43Å; S306-N311 PolarHBondContact O-N 3.49Å; S306-N311 VanDerWaalsContact OG-CB 3.25Å; S306-N311 WeakPolarHBondContact OG-CB 3.39Å; S306-N311 PolarHBondContact OG-ND2 3.35Å; S306-N311 VanDerWaalsContact OG-ND2 3.15Å |
| 307 | F | 96.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 172.8 | 167.1 | -100.3 | 0 | 0 | 0 | 111.8 | Y299 C301 S303 Y304 T305 T309 G310 F343 R356 | Y299-F307 HydrophobicContact CD2-CD2 4.44Å; Y299-F307 AromaticContact CD2-CE2 3.59Å; Y299-F307 HydrophobicContact CD2-CE2 3.59Å; Y299-F307 HydrophobicContact CD2-CZ 4.43Å; Y299-F307 HydrophobicContact CE2-CE2 4.4Å; Y299-F307 HydrophobicContact CG-CD2 4.42Å; Y299-F307 AromaticContact CG-CE2 3.97Å; Y299-F307 HydrophobicContact CG-CE2 3.97Å; C301-F307 HydrophobicContact CB-CB 4.3Å; C301-F307 PolarHBondContact SG-N 3.43Å; C301-F307 VanDerWaalsContact SG-N 3.36Å; S303-F307 PolarHBondContact O-N 3.22Å; Y304-F307 AromaticContact CD2-CD1 3.63Å; Y304-F307 HydrophobicContact CD2-CD1 3.63Å; Y304-F307 HydrophobicContact CD2-CE1 4.33Å; Y304-F307 HydrophobicContact CD2-CG 4.45Å; Y304-F307 AromaticContact CE2-CD1 3.57Å; Y304-F307 HydrophobicContact CE2-CD1 3.57Å; Y304-F307 AromaticContact CE2-CE1 3.85Å; Y304-F307 HydrophobicContact CE2-CE1 3.85Å; Y304-F307 WeakPolarHBondContact O-CB 3.42Å; Y304-F307 PolarHBondContact O-N 2.05Å; T305-F307 VanDerWaalsContact C-N 3.29Å; T305-F307 PolarHBondContact O-N 2.84Å; F307-T309 PolarHBondContact O-N 3.15Å; F307-G310 PolarHBondContact O-N 3.14Å; F307-G310 VanDerWaalsContact O-N 3.1Å; F307-F343 HydrophobicContact CB-CB 4.04Å; F307-F343 HydrophobicContact CB-CD2 4.22Å; F307-F343 HydrophobicContact CB-CG 4.33Å; F307-F343 HydrophobicContact CD1-CB 3.93Å; F307-F343 HydrophobicContact CD2-CB 3.91Å; F307-F343 HydrophobicContact CE1-CB 4.34Å; F307-F343 HydrophobicContact CE2-CB 4.33Å; F307-F343 HydrophobicContact CG-CB 3.68Å; F307-F343 HydrophobicContact CG-CG 4.45Å; F307-R356 PolarHBondContact O-NH2 2.86Å |
| 308 | K | 95.5 | Very high | 94.4 | Very high | 119 Ų | 119 | 63.1 Ų | 63.1 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 178.2 | -74.9 | -167.7 | -62.5 | -177.6 | 0 | 112.8 | Y304 T305 G310 | Y304-K308 HydrophobicContact CD1-CD 4.25Å; Y304-K308 HydrophobicContact CD2-CG 4.47Å; Y304-K308 HydrophobicContact CE1-CD 3.77Å; Y304-K308 HydrophobicContact CE1-CG 4.2Å; Y304-K308 HydrophobicContact CE2-CG 4.12Å; Y304-K308 WeakPolarHBondContact O-CG 3.32Å; Y304-K308 PolarHBondContact O-N 2.66Å; T305-K308 PolarHBondContact O-N 2.84Å; K308-G310 PolarHBondContact O-N 2.8Å |
| 309 | T | 94.8 | Very high | 94.1 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -76.9 | -9.2 | 177.2 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | T305 S306 F307 N311 | T305-T309 PolarHBondContact O-N 3.03Å; T305-T309 PolarHBondContact O-OG1 3.11Å; S306-T309 PolarHBondContact O-OG1 3.47Å; S306-T309 VanDerWaalsContact O-OG1 3.14Å; F307-T309 PolarHBondContact O-N 3.15Å; T309-N311 PolarHBondContact OG1-ND2 2.71Å |
| 310 | G | 94.7 | Very high | 94 | Very high | 5 Ų | 5 | 65 Ų | 65 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 13.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S306 F307 K308 C312 F313 R358 | S306-G310 PolarHBondContact O-N 3.27Å; F307-G310 PolarHBondContact O-N 3.14Å; F307-G310 VanDerWaalsContact O-N 3.1Å; K308-G310 PolarHBondContact O-N 2.8Å; G310-C312 PolarHBondContact O-N 3.43Å; G310-F313 PolarHBondContact O-N 2.95Å; G310-R358 PolarHBondContact O-NH2 3.32Å; G310-R358 VanDerWaalsContact O-NH2 3.16Å |
| 311 | N | 94.4 | Very high | 94.1 | Very high | 117 Ų | 117 | 63.7 Ų | 63.7 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.3 | -178.6 | -63.9 | -15.2 | 0 | 0 | 0 | 112.8 | S306 T309 | S306-N311 WeakPolarHBondContact O-CB 3.43Å; S306-N311 PolarHBondContact O-N 3.49Å; S306-N311 VanDerWaalsContact OG-CB 3.25Å; S306-N311 WeakPolarHBondContact OG-CB 3.39Å; S306-N311 PolarHBondContact OG-ND2 3.35Å; S306-N311 VanDerWaalsContact OG-ND2 3.15Å; T309-N311 PolarHBondContact OG1-ND2 2.71Å |
| 312 | C | 93.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 27.1 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | Y299 C301 G310 | Y299-C312 WeakPolarHBondContact CD1-O 3.38Å; C301-C312 WeakPolarHBondContact CA-SG 3.33Å; C301-C312 HydrophobicContact CB-CB 3.53Å; C301-C312 WeakPolarHBondContact CB-SG 3.49Å; C301-C312 WeakPolarHBondContact SG-CB 3.42Å; C301-C312 CovalentContact SG-SG 2.02Å; C301-C312 PolarHBondContact SG-SG 2.7Å; G310-C312 PolarHBondContact O-N 3.43Å |
| 313 | F | 94.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | trans | -113.1 | 136.4 | 177.1 | 176.3 | -77.8 | 0 | 0 | 0 | 109.5 | G310 R356 R358 L403 T440 | G310-F313 PolarHBondContact O-N 2.95Å; F313-R356 HydrophobicContact CD2-CG 4.16Å; F313-R356 HydrophobicContact CE2-CG 4.17Å; F313-R358 HydrophobicContact CD1-CB 4.36Å; F313-R358 VanDerWaalsContact CD1-NH2 3.29Å; F313-R358 HydrophobicContact CE1-CB 3.63Å; F313-R358 HydrophobicContact CE2-CB 4.45Å; F313-R358 HydrophobicContact CZ-CB 3.69Å; F313-L403 HydrophobicContact CB-CD2 4.44Å; F313-L403 HydrophobicContact CD1-CD2 4.29Å; F313-L403 HydrophobicContact CD2-CD2 3.64Å; F313-L403 HydrophobicContact CE2-CD2 3.85Å; F313-L403 HydrophobicContact CG-CD2 3.87Å; F313-L403 HydrophobicContact CZ-CD2 4.3Å; F313-T440 HydrophobicContact CE1-CG2 3.79Å; F313-T440 HydrophobicContact CZ-CG2 4.14Å; F313-T440 WeakPolarHBondContact CZ-O 3.23Å | ||
| 314 | F | 94.6 | Very high | 94.6 | Very high | 97 Ų | 97 | 52 Ų | 52 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | S | Bend | cis | -92.7 | -166.4 | 0.3 | 51.9 | -89.5 | 0 | 0 | 0 | 110.8 | T440 G442 G445 | F314-T440 HydrophobicContact CD1-CG2 4.3Å; F314-G442 WeakPolarHBondContact CB-O 3.35Å; F314-G445 VanDerWaalsContact CG-CA 3.41Å |
| 315 | C | 95.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | trans | -53 | 141.3 | 173.6 | -71.3 | 0 | 0 | 0 | 0 | 111.7 | C320 G442 K443 | C315-C320 WeakPolarHBondContact CA-SG 3.49Å; C315-C320 HydrophobicContact CB-CB 4.04Å; C315-C320 WeakPolarHBondContact CB-SG 3.49Å; C315-C320 WeakPolarHBondContact SG-CB 3.44Å; C315-C320 CovalentContact SG-SG 2.04Å; C315-C320 PolarHBondContact SG-SG 2.83Å; C315-G442 PolarHBondContact N-O 2.98Å; C315-G442 PolarHBondContact SG-O 3.44Å; C315-G442 VanDerWaalsContact SG-O 3.38Å; C315-K443 WeakPolarHBondContact CB-O 3.1Å | ||
| 316 | P | 92.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | trans | -67.5 | 175.4 | 177.7 | 34.8 | -38.7 | 0 | 0 | 0 | 110.3 | P300 E318 G319 | P300-P316 HydrophobicContact CG-CG 4.03Å; P316-E318 WeakPolarHBondContact CB-OE2 3.45Å; P316-E318 PolarHBondContact O-N 2.94Å; P316-G319 WeakPolarHBondContact CG-O 3.34Å; P316-G319 WeakPolarHBondContact O-CA 3.31Å; P316-G319 PolarHBondContact O-N 2.86Å | ||
| 317 | K | 90.5 | Very high | 94.9 | Very high | 214 Ų | 214 | 45 Ų | 45 | 93% | 0.93 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.2 | -176.1 | -72.8 | -175.2 | 178.2 | -179.7 | 0 | 112.4 | G319 | K317-G319 PolarHBondContact O-N 3.12Š|
| 318 | E | 89.1 | Confident | 94.9 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.7 | 173.3 | -56.2 | 75.8 | -165.5 | 0 | 0 | 111.3 | P316 H331 L332 | P316-E318 WeakPolarHBondContact CB-OE2 3.45Å; P316-E318 PolarHBondContact O-N 2.94Å; E318-H331 PolarHBondContact O-CE1 3.02Å; E318-L332 HydrophobicContact CB-CD1 3.65Å; E318-L332 HydrophobicContact CG-CD1 3.82Å |
| 319 | G | 91.7 | Very high | 94.9 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | trans | 83.7 | -178.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P316 K317 | P316-G319 WeakPolarHBondContact CG-O 3.34Å; P316-G319 WeakPolarHBondContact O-CA 3.31Å; P316-G319 PolarHBondContact O-N 2.86Å; K317-G319 PolarHBondContact O-N 3.12Å | ||
| 320 | C | 94.6 | Very high | 94.9 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | trans | -114.8 | 145.1 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | I297 A298 C315 | I297-C320 HydrophobicContact CG2-CB 3.51Å; A298-C320 VanDerWaalsContact O-CB 3.26Å; A298-C320 WeakPolarHBondContact O-CB 2.96Å; A298-C320 PolarHBondContact O-SG 3.01Å; C315-C320 WeakPolarHBondContact CA-SG 3.49Å; C315-C320 HydrophobicContact CB-CB 4.04Å; C315-C320 WeakPolarHBondContact CB-SG 3.49Å; C315-C320 WeakPolarHBondContact SG-CB 3.44Å; C315-C320 CovalentContact SG-SG 2.04Å; C315-C320 PolarHBondContact SG-SG 2.83Å | ||
| 321 | P | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 152.7 | 163.5 | 29.1 | -33.2 | 0 | 0 | 0 | 110.9 | L239 F241 A298 F330 Y342 | L239-P321 HydrophobicContact CD1-CB 3.96Å; L239-P321 HydrophobicContact CD1-CG 4.46Å; F241-P321 HydrophobicContact CE1-CB 3.9Å; F241-P321 HydrophobicContact CE1-CG 3.81Å; F241-P321 HydrophobicContact CZ-CB 3.96Å; F241-P321 HydrophobicContact CZ-CG 4.27Å; A298-P321 PolarHBondContact N-O 3.4Å; P321-F330 HydrophobicContact CB-CB 3.9Å; P321-F330 HydrophobicContact CB-CD1 3.98Å; P321-F330 HydrophobicContact CB-CD2 4.15Å; P321-F330 HydrophobicContact CB-CG 3.75Å; P321-F330 HydrophobicContact CG-CD1 4.37Å; P321-F330 HydrophobicContact CG-CE1 4.49Å; P321-F330 HydrophobicContact CG-CG 4.48Å; P321-Y342 HydrophobicContact CG-CD1 3.38Å; P321-Y342 HydrophobicContact CG-CE1 3.47Å; P321-Y342 VanDerWaalsContact CG-CE1 3.47Å; P321-Y342 HydrophobicContact CG-CG 4.13Å |
| 322 | T | 96.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -96 | 131.3 | 164.6 | -168 | 0 | 0 | 0 | 0 | 108 | P293 F296 F326 A327 | P293-T322 WeakPolarHBondContact O-CB 3.47Å; P293-T322 PolarHBondContact O-OG1 2.86Å; F296-T322 CarbonylContact O-C 3.6Å; F296-T322 WeakPolarHBondContact O-CA 3.48Å; T322-F326 HydrophobicContact CG2-CB 3.61Å; T322-A327 VanDerWaalsContact O-CA 3.23Å; T322-A327 WeakPolarHBondContact O-CA 3.07Å; T322-A327 VanDerWaalsContact O-CB 3.31Å; T322-A327 WeakPolarHBondContact O-CB 3.47Å |
| 323 | M | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -70.4 | 137.4 | 178.3 | 178.3 | -170.6 | 76.8 | 0 | 0 | 110.1 | I217 F241 P243 F285 S289 F296 L344 | I217-M323 HydrophobicContact CD1-CG 3.71Å; I217-M323 HydrophobicContact CD1-SD 4.16Å; I217-M323 HydrophobicContact CG1-CG 3.8Å; I217-M323 HydrophobicContact CG1-SD 4.2Å; I217-M323 HydrophobicContact CG2-CG 4.43Å; I217-M323 HydrophobicContact CG2-SD 3.69Å; F241-M323 HydrophobicContact CB-CB 4.28Å; F241-M323 HydrophobicContact CB-CG 3.69Å; F241-M323 HydrophobicContact CB-SD 3.88Å; F241-M323 HydrophobicContact CD1-CB 3.67Å; F241-M323 HydrophobicContact CD1-CG 4Å; F241-M323 HydrophobicContact CD2-CB 4.31Å; F241-M323 HydrophobicContact CD2-CG 3.94Å; F241-M323 HydrophobicContact CE1-CB 3.97Å; F241-M323 HydrophobicContact CG-CB 3.85Å; F241-M323 HydrophobicContact CG-CG 3.62Å; F241-M323 HydrophobicContact CG-SD 4.45Å; F241-M323 HydrophobicContact CZ-CB 4.43Å; P243-M323 HydrophobicContact CB-CE 4.45Å; P243-M323 HydrophobicContact CB-SD 4.11Å; P243-M323 HydrophobicContact CG-SD 3.87Å; F285-M323 HydrophobicContact CB-CE 3.64Å; F285-M323 HydrophobicContact CD2-CE 4.05Å; F285-M323 HydrophobicContact CG-CE 4.11Å; S289-M323 WeakPolarHBondContact CB-O 3.28Å; F296-M323 HydrophobicContact CB-CB 4.05Å; F296-M323 HydrophobicContact CB-CE 4.32Å; F296-M323 HydrophobicContact CD1-CE 3.64Å; F296-M323 HydrophobicContact CE1-CE 4.29Å; F296-M323 HydrophobicContact CG-CE 4.22Å; F296-M323 PolarHBondContact O-N 2.76Å; M323-L344 HydrophobicContact CB-CD1 4.09Å; M323-L344 HydrophobicContact CB-CD2 4.46Å; M323-L344 HydrophobicContact CE-CD1 4Å; M323-L344 HydrophobicContact SD-CD1 4.1Å; M323-L344 HydrophobicContact SD-CD2 3.82Å; M323-L344 HydrophobicContact SD-CG 4.5Å |
| 324 | G | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 99.2 | -139.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R186 S289 F326 A327 | R186-G324 PolarHBondContact NH2-O 2.86Å; S289-G324 WeakPolarHBondContact OG-CA 3.31Å; G324-F326 VanDerWaalsContact C-N 3.26Å; G324-F326 PolarHBondContact O-N 3.04Å; G324-F326 VanDerWaalsContact O-N 3.09Å; G324-A327 WeakPolarHBondContact O-CB 3.32Å; G324-A327 PolarHBondContact O-N 3.26Å |
| 325 | H | 97.9 | Very high | 93 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -40.8 | -164.7 | -173.1 | 67.7 | 0 | 0 | 0 | 113.7 | R90 L110 E114 R186 Y286 S289 I290 | R90-H325 PolarHBondContact NH2-CE1 2.04Å; R90-H325 VanDerWaalsContact NH2-CE1 3.28Å; L110-H325 VanDerWaalsContact CD2-CE1 3.45Å; L110-H325 WeakPolarHBondContact CD2-CE1 3.03Å; E114-H325 IonicContact OE1-CD2 2.67Å; E114-H325 IonicContact OE1-CE1 2.61Å; E114-H325 IonicContact OE1-NE2 3.52Å; E114-H325 PolarHBondContact OE1-NE2 2.92Å; R186-H325 PolarHBondContact NH1-O 3.45Å; Y286-H325 HydrophobicContact CE1-CB 4.3Å; S289-H325 PolarHBondContact OG-N 3.24Å; I290-H325 HydrophobicContact CB-CB 4.35Å; I290-H325 HydrophobicContact CG1-CB 3.77Å |
| 326 | F | 97.2 | Very high | 91.6 | Very high | 23 Ų | 23 | 64 Ų | 64 | 10% | 0.101 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 14.8 | -175.7 | -59.2 | -66.4 | 0 | 0 | 0 | 114.8 | I290 P293 T322 G324 D328 R329 | I290-F326 WeakPolarHBondContact O-CE2 3.06Å; P293-F326 HydrophobicContact CB-CD2 3.52Å; P293-F326 HydrophobicContact CB-CE2 3.58Å; P293-F326 HydrophobicContact CB-CG 4.32Å; P293-F326 HydrophobicContact CB-CZ 4.43Å; P293-F326 HydrophobicContact CG-CE2 4.24Å; T322-F326 HydrophobicContact CG2-CB 3.61Å; G324-F326 VanDerWaalsContact C-N 3.26Å; G324-F326 PolarHBondContact O-N 3.04Å; G324-F326 VanDerWaalsContact O-N 3.09Å; F326-D328 WeakPolarHBondContact CA-OD1 3.11Å; F326-D328 PolarHBondContact O-N 3.26Å; F326-R329 HydrophobicContact CB-CG 4.31Å; F326-R329 VanDerWaalsContact CD1-NE 3.28Å; F326-R329 VanDerWaalsContact CD1-NH2 3.26Å; F326-R329 WeakPolarHBondContact O-CB 3.22Å; F326-R329 PolarHBondContact O-N 2.62Å |
| 327 | A | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -59 | -28.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F213 D215 F241 T322 G324 R329 F330 | F213-A327 HydrophobicContact CE1-CB 4.39Å; F213-A327 HydrophobicContact CZ-CB 4.24Å; D215-A327 HydrophobicContact CB-CB 4.37Å; F241-A327 HydrophobicContact CE2-CB 4.01Å; F241-A327 HydrophobicContact CZ-CB 3.94Å; T322-A327 VanDerWaalsContact O-CA 3.23Å; T322-A327 WeakPolarHBondContact O-CA 3.07Å; T322-A327 VanDerWaalsContact O-CB 3.31Å; T322-A327 WeakPolarHBondContact O-CB 3.47Å; G324-A327 WeakPolarHBondContact O-CB 3.32Å; G324-A327 PolarHBondContact O-N 3.26Å; A327-R329 PolarHBondContact O-N 3.33Å; A327-F330 WeakPolarHBondContact O-CB 3.24Å; A327-F330 PolarHBondContact O-N 2.67Å; A327-F330 VanDerWaalsContact O-N 3.13Å |
| 328 | D | 95.8 | Very high | 88.9 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -66.6 | -14.4 | 175.4 | 67.3 | -41.2 | 0 | 0 | 0 | 113.9 | R186 F213 F326 F330 K333 | R186-D328 IonicContact NH1-OD1 3.19Å; R186-D328 PolarHBondContact NH1-OD1 3.31Å; F213-D328 HydrophobicContact CD1-CB 3.92Å; F213-D328 HydrophobicContact CE1-CB 3.79Å; F326-D328 WeakPolarHBondContact CA-OD1 3.11Å; F326-D328 PolarHBondContact O-N 3.26Å; D328-F330 PolarHBondContact O-N 3.02Å; D328-K333 VanDerWaalsContact O-CD 3.31Å; D328-K333 WeakPolarHBondContact O-CD 3.45Å; D328-K333 WeakPolarHBondContact O-CE 3.25Å; D328-K333 PolarHBondContact O-NZ 3.24Å |
| 329 | R | 95.1 | Very high | 87.7 | Confident | 168 Ų | 168 | 58.5 Ų | 58.5 | 63% | 0.634 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -75.6 | -13.5 | 172.8 | -60.9 | -174.2 | 178.1 | 171.7 | -3.8 | 113 | F326 A327 H331 | F326-R329 HydrophobicContact CB-CG 4.31Å; F326-R329 VanDerWaalsContact CD1-NE 3.28Å; F326-R329 VanDerWaalsContact CD1-NH2 3.26Å; F326-R329 WeakPolarHBondContact O-CB 3.22Å; F326-R329 PolarHBondContact O-N 2.62Å; A327-R329 PolarHBondContact O-N 3.33Å; R329-H331 PolarHBondContact O-N 2.85Å |
| 330 | F | 94.8 | Very high | 87.1 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | trans | -71.5 | 115.5 | 179.7 | -174.3 | -122.3 | 0 | 0 | 0 | 110.8 | L239 P321 A327 D328 L332 K333 | L239-F330 HydrophobicContact CD1-CB 4.5Å; L239-F330 HydrophobicContact CD1-CD1 4.06Å; L239-F330 HydrophobicContact CD2-CD1 4.28Å; L239-F330 HydrophobicContact CD2-CE1 4.43Å; P321-F330 HydrophobicContact CB-CB 3.9Å; P321-F330 HydrophobicContact CB-CD1 3.98Å; P321-F330 HydrophobicContact CB-CD2 4.15Å; P321-F330 HydrophobicContact CB-CG 3.75Å; P321-F330 HydrophobicContact CG-CD1 4.37Å; P321-F330 HydrophobicContact CG-CE1 4.49Å; P321-F330 HydrophobicContact CG-CG 4.48Å; A327-F330 WeakPolarHBondContact O-CB 3.24Å; A327-F330 PolarHBondContact O-N 2.67Å; A327-F330 VanDerWaalsContact O-N 3.13Å; D328-F330 PolarHBondContact O-N 3.02Å; F330-L332 HydrophobicContact CD1-CB 4.29Å; F330-L332 HydrophobicContact CE1-CB 3.62Å; F330-L332 HydrophobicContact CE1-CG 4.47Å; F330-L332 HydrophobicContact CZ-CB 3.84Å; F330-L332 HydrophobicContact CZ-CD1 4.29Å; F330-L332 HydrophobicContact CZ-CG 4.2Å; F330-L332 PolarHBondContact O-N 3.21Å; F330-K333 HydrophobicContact CB-CB 4.39Å; F330-K333 HydrophobicContact CD1-CB 4.32Å; F330-K333 WeakPolarHBondContact O-CB 3.45Å; F330-K333 WeakPolarHBondContact O-CD 3.43Å; F330-K333 WeakPolarHBondContact O-CG 3.43Å; F330-K333 PolarHBondContact O-N 3.48Å | ||
| 331 | H | 91.4 | Very high | 86.9 | Confident | 127 Ų | 127 | 64.4 Ų | 64.4 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.6 | -174.1 | 70.9 | -56.3 | 0 | 0 | 0 | 114.9 | E318 R329 | E318-H331 PolarHBondContact O-CE1 3.02Å; R329-H331 PolarHBondContact O-N 2.85Å |
| 332 | L | 89.3 | Confident | 86.9 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 16 | 175.6 | -48 | -179.4 | 0 | 0 | 0 | 113.4 | E318 F330 N334 M335 | E318-L332 HydrophobicContact CB-CD1 3.65Å; E318-L332 HydrophobicContact CG-CD1 3.82Å; F330-L332 HydrophobicContact CD1-CB 4.29Å; F330-L332 HydrophobicContact CE1-CB 3.62Å; F330-L332 HydrophobicContact CE1-CG 4.47Å; F330-L332 HydrophobicContact CZ-CB 3.84Å; F330-L332 HydrophobicContact CZ-CD1 4.29Å; F330-L332 HydrophobicContact CZ-CG 4.2Å; F330-L332 PolarHBondContact O-N 3.21Å; L332-N334 PolarHBondContact O-N 2.94Å; L332-M335 HydrophobicContact CB-CB 4.39Å; L332-M335 HydrophobicContact CB-CG 4.16Å; L332-M335 HydrophobicContact CB-SD 4.23Å; L332-M335 HydrophobicContact CD1-SD 4.43Å; L332-M335 HydrophobicContact CD2-CE 3.59Å; L332-M335 HydrophobicContact CD2-CG 4.39Å; L332-M335 HydrophobicContact CD2-SD 3.68Å; L332-M335 HydrophobicContact CG-SD 4.32Å; L332-M335 PolarHBondContact O-N 2.97Å |
| 333 | K | 88.6 | Confident | 87 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.8 | -175.6 | 65.3 | -173.3 | 174.8 | -169.3 | 0 | 115.4 | F213 H238 L239 D328 F330 | F213-K333 HydrophobicContact CD1-CD 4.21Å; F213-K333 HydrophobicContact CD2-CB 3.95Å; F213-K333 HydrophobicContact CD2-CD 4.06Å; F213-K333 HydrophobicContact CD2-CG 4.05Å; F213-K333 HydrophobicContact CE1-CD 4.32Å; F213-K333 HydrophobicContact CE2-CB 3.54Å; F213-K333 HydrophobicContact CE2-CD 4.22Å; F213-K333 HydrophobicContact CE2-CG 4.14Å; F213-K333 HydrophobicContact CG-CD 4.08Å; F213-K333 HydrophobicContact CZ-CB 4Å; F213-K333 HydrophobicContact CZ-CD 4.32Å; H238-K333 WeakPolarHBondContact CB-O 3.39Å; L239-K333 HydrophobicContact CD1-CB 4.12Å; D328-K333 VanDerWaalsContact O-CD 3.31Å; D328-K333 WeakPolarHBondContact O-CD 3.45Å; D328-K333 WeakPolarHBondContact O-CE 3.25Å; D328-K333 PolarHBondContact O-NZ 3.24Å; F330-K333 HydrophobicContact CB-CB 4.39Å; F330-K333 HydrophobicContact CD1-CB 4.32Å; F330-K333 WeakPolarHBondContact O-CB 3.45Å; F330-K333 WeakPolarHBondContact O-CD 3.43Å; F330-K333 WeakPolarHBondContact O-CG 3.43Å; F330-K333 PolarHBondContact O-N 3.48Å |
| 334 | N | 81.9 | Confident | 87 | Confident | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 4.1 | -179.4 | -69.2 | -3.1 | 0 | 0 | 0 | 113.3 | N212 L332 | N212-N334 PolarHBondContact O-ND2 3.47Å; N212-N334 VanDerWaalsContact O-ND2 3.09Å; N212-N334 PolarHBondContact O-OD1 2.83Å; L332-N334 PolarHBondContact O-N 2.94Å |
| 335 | M | 80.6 | Confident | 87 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -76.4 | 140.8 | 174.2 | -69.7 | -159.9 | 175.4 | 0 | 0 | 110 | L332 T337 | L332-M335 HydrophobicContact CB-CB 4.39Å; L332-M335 HydrophobicContact CB-CG 4.16Å; L332-M335 HydrophobicContact CB-SD 4.23Å; L332-M335 HydrophobicContact CD1-SD 4.43Å; L332-M335 HydrophobicContact CD2-CE 3.59Å; L332-M335 HydrophobicContact CD2-CG 4.39Å; L332-M335 HydrophobicContact CD2-SD 3.68Å; L332-M335 HydrophobicContact CG-SD 4.32Å; L332-M335 PolarHBondContact O-N 2.97Å; M335-T337 PolarHBondContact O-N 2.92Å |
| 336 | K | 66.8 | Low | 87 | Confident | 199 Ų | 199 | 66.8 Ų | 66.8 | 87% | 0.865 | 33% | 0.331 | S | S | * | . | trans | -56.6 | 114.6 | 172.9 | -78.1 | -173.4 | 176.9 | -178.5 | 0 | 109 | N338 | K336-N338 PolarHBondContact O-N 2.92Š| ||
| 337 | T | 62.8 | Low | 86.9 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | trans | -68.4 | 117.4 | 170.2 | 56.1 | 0 | 0 | 0 | 0 | 106.1 | H238 M335 G339 Y342 | H238-T337 WeakPolarHBondContact O-CG2 3.26Å; M335-T337 PolarHBondContact O-N 2.92Å; T337-G339 PolarHBondContact O-N 3.27Å; T337-Y342 HydrophobicContact CG2-CE2 3.88Å | ||
| 338 | N | 64.5 | Low | 86.7 | Confident | 150 Ų | 150 | 68.3 Ų | 68.3 | 80% | 0.802 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -71.5 | 58 | 178.3 | -79.3 | -21.3 | 0 | 0 | 0 | 110.8 | K336 L340 | K336-N338 PolarHBondContact O-N 2.92Å; N338-L340 VanDerWaalsContact C-N 3.3Å; N338-L340 PolarHBondContact O-N 3.41Å |
| 339 | G | 63.8 | Low | 86.5 | Confident | 61 Ų | 61 | 71.4 Ų | 71.4 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 64.2 | 30.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | T337 | T337-G339 PolarHBondContact O-N 3.27Š|
| 340 | L | 78.7 | Confident | 86.2 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 36% | 0.356 | 36% | 0.36 | S | S | . | . | trans | -93.1 | 129.7 | 177.9 | -69.2 | 172.6 | 0 | 0 | 0 | 110.3 | P300 N338 | P300-L340 HydrophobicContact CB-CB 4.5Å; P300-L340 HydrophobicContact CB-CD1 4.27Å; N338-L340 VanDerWaalsContact C-N 3.3Å; N338-L340 PolarHBondContact O-N 3.41Å | ||
| 341 | Y | 90.4 | Very high | 86.2 | Confident | 101 Ų | 101 | 70.5 Ų | 70.5 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 146.5 | 171.9 | -59.3 | -85.9 | 0 | 0 | 0 | 109.5 | Y242 P300 C301 F343 | Y242-Y341 AromaticContact CD2-CD1 3.93Å; Y242-Y341 HydrophobicContact CD2-CD1 3.93Å; Y242-Y341 HydrophobicContact CE1-CD1 4.48Å; Y242-Y341 AromaticContact CE2-CD1 3.45Å; Y242-Y341 HydrophobicContact CE2-CD1 3.45Å; Y242-Y341 VanDerWaalsContact CE2-CD1 3.45Å; Y242-Y341 HydrophobicContact CE2-CE1 4.26Å; Y242-Y341 HydrophobicContact CE2-CG 4.36Å; Y242-Y341 AromaticContact CZ-CD1 3.75Å; P300-Y341 CarbonylContact C-O 3.53Å; P300-Y341 WeakPolarHBondContact CA-O 3.48Å; C301-Y341 PolarHBondContact N-O 3.29Å; C301-Y341 PolarHBondContact O-N 3.47Å; C301-Y341 VanDerWaalsContact O-N 3.1Å; Y341-F343 VanDerWaalsContact CB-CZ 3.4Å; Y341-F343 HydrophobicContact CD2-CE2 4.38Å; Y341-F343 HydrophobicContact CD2-CZ 4.29Å; Y341-F343 HydrophobicContact CG-CE2 4.08Å; Y341-F343 AromaticContact CG-CZ 3.85Å; Y341-F343 HydrophobicContact CG-CZ 3.85Å |
| 342 | Y | 95.9 | Very high | 86.4 | Confident | 18 Ų | 18 | 65 Ų | 65 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 109.4 | 174.8 | -66.4 | -89.2 | 0 | 0 | 0 | 110.5 | L239 D240 F241 Y242 P300 P321 T337 | L239-Y342 HydrophobicContact CD2-CD2 4.26Å; L239-Y342 HydrophobicContact CD2-CE2 3.54Å; D240-Y342 PolarHBondContact O-N 2.85Å; F241-Y342 WeakPolarHBondContact CA-O 3.42Å; Y242-Y342 PolarHBondContact N-O 2.91Å; P300-Y342 HydrophobicContact CB-CD1 4.13Å; P300-Y342 HydrophobicContact CB-CE1 3.8Å; P300-Y342 HydrophobicContact CG-CE1 4.33Å; P321-Y342 HydrophobicContact CG-CD1 3.38Å; P321-Y342 HydrophobicContact CG-CE1 3.47Å; P321-Y342 VanDerWaalsContact CG-CE1 3.47Å; P321-Y342 HydrophobicContact CG-CG 4.13Å; T337-Y342 HydrophobicContact CG2-CE2 3.88Å |
| 343 | F | 97.8 | Very high | 86.8 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 147.6 | -178.6 | -60.8 | -77.8 | 0 | 0 | 0 | 112.3 | Y242 A298 Y299 C301 Y304 F307 Y341 | Y242-F343 HydrophobicContact CG-CE1 4.14Å; Y242-F343 WeakPolarHBondContact O-CD1 3.18Å; A298-F343 CarbonylContact C-O 3.56Å; A298-F343 WeakPolarHBondContact CA-O 3.3Å; Y299-F343 PolarHBondContact N-O 3.16Å; Y299-F343 PolarHBondContact O-N 2.91Å; C301-F343 HydrophobicContact CB-CD2 3.72Å; C301-F343 HydrophobicContact CB-CE2 4.12Å; Y304-F343 HydrophobicContact CD2-CB 4.3Å; Y304-F343 AromaticContact CD2-CD1 3.75Å; Y304-F343 HydrophobicContact CD2-CD1 3.75Å; Y304-F343 HydrophobicContact CD2-CE1 4.39Å; Y304-F343 HydrophobicContact CD2-CG 4.14Å; Y304-F343 HydrophobicContact CG-CD1 4.22Å; Y304-F343 HydrophobicContact CG-CE1 4.42Å; Y304-F343 VanDerWaalsContact N-CZ 3.29Å; F307-F343 HydrophobicContact CB-CB 4.04Å; F307-F343 HydrophobicContact CB-CD2 4.22Å; F307-F343 HydrophobicContact CB-CG 4.33Å; F307-F343 HydrophobicContact CD1-CB 3.93Å; F307-F343 HydrophobicContact CD2-CB 3.91Å; F307-F343 HydrophobicContact CE1-CB 4.34Å; F307-F343 HydrophobicContact CE2-CB 4.33Å; F307-F343 HydrophobicContact CG-CB 3.68Å; F307-F343 HydrophobicContact CG-CG 4.45Å; Y341-F343 VanDerWaalsContact CB-CZ 3.4Å; Y341-F343 HydrophobicContact CD2-CE2 4.38Å; Y341-F343 HydrophobicContact CD2-CZ 4.29Å; Y341-F343 HydrophobicContact CG-CE2 4.08Å; Y341-F343 AromaticContact CG-CZ 3.85Å; Y341-F343 HydrophobicContact CG-CZ 3.85Å |
| 344 | L | 98.3 | Very high | 87.1 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 165.8 | 172.3 | 65.2 | 168.2 | 0 | 0 | 0 | 108.3 | P243 N244 F296 I297 A298 M323 | P243-L344 CarbonylContact C-O 3.56Å; P243-L344 WeakPolarHBondContact CA-O 3.34Å; P243-L344 HydrophobicContact CB-CD2 3.91Å; P243-L344 HydrophobicContact CB-CG 4.15Å; N244-L344 PolarHBondContact N-O 3.26Å; F296-L344 HydrophobicContact CB-CD1 3.83Å; F296-L344 HydrophobicContact CD1-CD1 4.1Å; F296-L344 HydrophobicContact CG-CD1 4.49Å; F296-L344 WeakPolarHBondContact O-CD1 3.24Å; I297-L344 WeakPolarHBondContact O-CB 3.49Å; A298-L344 HydrophobicContact CB-CB 4.43Å; A298-L344 HydrophobicContact CB-CD2 3.98Å; M323-L344 HydrophobicContact CB-CD1 4.09Å; M323-L344 HydrophobicContact CB-CD2 4.46Å; M323-L344 HydrophobicContact CE-CD1 4Å; M323-L344 HydrophobicContact SD-CD1 4.1Å; M323-L344 HydrophobicContact SD-CD2 3.82Å; M323-L344 HydrophobicContact SD-CG 4.5Å |
| 345 | N | 98 | Very high | 87.8 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | -112.6 | 150.5 | 170.5 | -72.9 | -20.4 | 0 | 0 | 0 | 109.6 | N244 Y304 R354 R356 D405 | N244-N345 WeakPolarHBondContact OD1-CA 3.45Å; Y304-N345 WeakPolarHBondContact CE2-OD1 3.48Å; Y304-N345 PolarHBondContact OH-OD1 3.07Å; N345-R354 WeakPolarHBondContact O-CB 3.37Å; N345-R356 PolarHBondContact ND2-NH1 2.9Å; N345-D405 HydrophobicContact CB-CB 4.24Å; N345-D405 WeakPolarHBondContact CB-OD2 3.38Å; N345-D405 PolarHBondContact ND2-OD2 2.95Å | ||
| 346 | T | 98 | Very high | 88.5 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | trans | -126.6 | 166.8 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | P243 N244 F285 F296 F352 | P243-T346 HydrophobicContact CB-CG2 4.06Å; N244-T346 PolarHBondContact ND2-OG1 2.76Å; N244-T346 PolarHBondContact OD1-N 3.48Å; F285-T346 HydrophobicContact CD1-CG2 4.39Å; F285-T346 HydrophobicContact CE1-CG2 4.06Å; F285-T346 HydrophobicContact CE2-CG2 4.19Å; F285-T346 HydrophobicContact CZ-CG2 3.94Å; F285-T346 WeakPolarHBondContact CZ-OG1 3.31Å; F296-T346 HydrophobicContact CD1-CG2 4.26Å; F296-T346 HydrophobicContact CE1-CG2 4.12Å; T346-F352 CarbonylContact C-O 3.56Å; T346-F352 WeakPolarHBondContact CA-O 3.47Å; T346-F352 WeakPolarHBondContact CB-O 3.11Å | ||
| 347 | G | 95.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -66.4 | 166.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F352 | G347-F352 PolarHBondContact N-O 3.32Å; G347-F352 WeakPolarHBondContact O-CD1 3.29Å | ||
| 348 | S | 93.7 | Very high | 91.4 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -83.8 | -16.9 | 170.6 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | P250 R281 | P250-S348 WeakPolarHBondContact O-CA 3.34Å; R281-S348 PolarHBondContact NH2-O 3.03Å |
| 349 | L | 90.9 | Very high | 93 | Very high | 127 Ų | 127 | 41.6 Ų | 41.6 | 67% | 0.665 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -141.4 | 156.2 | 178.6 | -66.9 | 173.3 | 0 | 0 | 0 | 109 | P351 F352 | L349-P351 CarbonylContact O-C 3.51Å; L349-F352 VanDerWaalsContact C-CD1 3.46Å; L349-F352 WeakPolarHBondContact O-CD1 3.21Å; L349-F352 PolarHBondContact O-N 3.48Å |
| 350 | S | 89.4 | Confident | 94.6 | Very high | 88 Ų | 88 | 39.5 Ų | 39.5 | 62% | 0.615 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -63.5 | 134.5 | 173.4 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | F352 | S350-F352 VanDerWaalsContact N-CE1 3.3Š|
| 351 | P | 93.9 | Very high | 95.5 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | cis | -71.5 | 127.5 | -3.5 | 28.7 | -33.7 | 0 | 0 | 0 | 113 | E288 L349 A353 R354 | E288-P351 WeakPolarHBondContact OE1-CA 3.41Å; E288-P351 WeakPolarHBondContact OE2-CA 3.36Å; L349-P351 CarbonylContact O-C 3.51Å; P351-A353 VanDerWaalsContact C-N 3.33Å; P351-R354 PolarHBondContact O-NH1 3.41Å | ||
| 352 | F | 96.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | trans | -75.2 | -22.6 | 177.1 | -58.2 | -60.5 | 0 | 0 | 0 | 113.2 | R281 Q284 F285 E288 F296 T346 G347 L349 S350 R354 | R281-F352 VanDerWaalsContact CZ-CE1 3.43Å; Q284-F352 HydrophobicContact CB-CE2 4.03Å; F285-F352 HydrophobicContact CD1-CB 3.85Å; F285-F352 HydrophobicContact CD1-CD1 4.38Å; F285-F352 AromaticContact CD1-CD2 3.72Å; F285-F352 HydrophobicContact CD1-CD2 3.72Å; F285-F352 HydrophobicContact CD1-CE2 4.45Å; F285-F352 AromaticContact CD1-CG 3.72Å; F285-F352 HydrophobicContact CD1-CG 3.72Å; F285-F352 HydrophobicContact CE1-CB 3.84Å; F285-F352 AromaticContact CE1-CD1 3.81Å; F285-F352 HydrophobicContact CE1-CD1 3.81Å; F285-F352 AromaticContact CE1-CD2 3.98Å; F285-F352 HydrophobicContact CE1-CD2 3.98Å; F285-F352 HydrophobicContact CE1-CE1 4.41Å; F285-F352 AromaticContact CE1-CG 3.59Å; F285-F352 HydrophobicContact CE1-CG 3.59Å; E288-F352 PolarHBondContact OE1-N 3.12Å; E288-F352 WeakPolarHBondContact OE2-CD2 3.46Å; E288-F352 PolarHBondContact OE2-N 3.47Å; F296-F352 HydrophobicContact CE1-CB 4.16Å; F296-F352 HydrophobicContact CZ-CB 4.21Å; T346-F352 CarbonylContact C-O 3.56Å; T346-F352 WeakPolarHBondContact CA-O 3.47Å; T346-F352 WeakPolarHBondContact CB-O 3.11Å; G347-F352 PolarHBondContact N-O 3.32Å; G347-F352 WeakPolarHBondContact O-CD1 3.29Å; L349-F352 VanDerWaalsContact C-CD1 3.46Å; L349-F352 WeakPolarHBondContact O-CD1 3.21Å; L349-F352 PolarHBondContact O-N 3.48Å; S350-F352 VanDerWaalsContact N-CE1 3.3Å; F352-R354 PolarHBondContact O-NH1 3.5Å | ||
| 353 | A | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | trans | -40 | 131.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E288 A295 F296 P351 W355 | E288-A353 WeakPolarHBondContact OE1-CB 3.27Å; E288-A353 PolarHBondContact OE1-N 3.4Å; A295-A353 HydrophobicContact CB-CB 3.44Å; A295-A353 VanDerWaalsContact CB-CB 3.44Å; F296-A353 HydrophobicContact CZ-CB 4.49Å; P351-A353 VanDerWaalsContact C-N 3.33Å; A353-W355 HydrophobicContact CB-CH2 3.6Å; A353-W355 HydrophobicContact CB-CZ2 4.36Å; A353-W355 HydrophobicContact CB-CZ3 3.87Å | ||
| 354 | R | 96.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | trans | -138.3 | 143.1 | 175.7 | -66.4 | -62.4 | 177.3 | -93.2 | 12.7 | 112.5 | A295 N345 P351 F352 D405 A406 | A295-R354 PolarHBondContact O-N 3.32Å; N345-R354 WeakPolarHBondContact O-CB 3.37Å; P351-R354 PolarHBondContact O-NH1 3.41Å; F352-R354 PolarHBondContact O-NH1 3.5Å; R354-D405 HydrophobicContact CB-CB 4.05Å; R354-D405 HydrophobicContact CG-CB 4.3Å; R354-A406 CarbonylContact C-O 3.57Å; R354-A406 VanDerWaalsContact CA-O 3.24Å; R354-A406 WeakPolarHBondContact CA-O 3.31Å; R354-A406 VanDerWaalsContact CD-O 3.3Å; R354-A406 WeakPolarHBondContact CD-O 3.31Å | ||
| 355 | W | 95.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.9 | 176.5 | -66.6 | -92.3 | 0 | 0 | 0 | 109.9 | D294 A295 A353 H357 D405 A406 V408 N409 | D294-W355 PolarHBondContact O-NE1 3.5Å; A295-W355 HydrophobicContact CB-CH2 4Å; A295-W355 HydrophobicContact CB-CZ2 3.52Å; A353-W355 HydrophobicContact CB-CH2 3.6Å; A353-W355 HydrophobicContact CB-CZ2 4.36Å; A353-W355 HydrophobicContact CB-CZ3 3.87Å; W355-H357 PolarHBondContact O-CD2 3.23Å; W355-H357 VanDerWaalsContact O-CD2 3.29Å; W355-D405 CarbonylContact O-C 3.52Å; W355-A406 PolarHBondContact N-O 3.47Å; W355-A406 PolarHBondContact O-N 3Å; W355-V408 VanDerWaalsContact CE3-C 3.43Å; W355-N409 HydrophobicContact CD2-CB 3.84Å; W355-N409 HydrophobicContact CE3-CB 4.2Å; W355-N409 VanDerWaalsContact CE3-N 3.34Å; W355-N409 HydrophobicContact CG-CB 4.46Å; W355-N409 HydrophobicContact CH2-CB 3.95Å; W355-N409 HydrophobicContact CZ2-CB 3.58Å; W355-N409 HydrophobicContact CZ3-CB 4.25Å |
| 356 | R | 95.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128 | -176.3 | -166.7 | 172.3 | -170.2 | 92 | -10 | 111.6 | Y299 F307 F313 N345 I404 D405 G442 | Y299-R356 HydrophobicContact CE2-CB 4.12Å; F307-R356 PolarHBondContact O-NH2 2.86Å; F313-R356 HydrophobicContact CD2-CG 4.16Å; F313-R356 HydrophobicContact CE2-CG 4.17Å; N345-R356 PolarHBondContact ND2-NH1 2.9Å; R356-I404 CarbonylContact C-O 3.5Å; R356-I404 VanDerWaalsContact CA-O 3.28Å; R356-I404 WeakPolarHBondContact CA-O 3.4Å; R356-D405 WeakPolarHBondContact CB-OD1 2.98Å; R356-D405 VanDerWaalsContact CG-OD1 3.26Å; R356-D405 WeakPolarHBondContact CG-OD1 3.39Å; R356-D405 IonicContact CZ-OD1 3.98Å; R356-D405 IonicContact NH1-OD1 2.75Å; R356-D405 PolarHBondContact NH1-OD1 3.08Å; R356-D405 IonicContact NH1-OD2 2.92Å; R356-D405 PolarHBondContact NH1-OD2 3.06Å; R356-G442 VanDerWaalsContact O-CA 3.31Å; R356-G442 WeakPolarHBondContact O-CA 3.32Å; R356-G442 PolarHBondContact O-N 2.61Å |
| 357 | H | 94.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 47 Ų | 47 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.9 | 179.7 | -69.7 | -101.9 | 0 | 0 | 0 | 111.4 | W355 L403 I404 N439 T440 | W355-H357 PolarHBondContact O-CD2 3.23Å; W355-H357 VanDerWaalsContact O-CD2 3.29Å; H357-L403 WeakPolarHBondContact O-CA 3.47Å; H357-I404 HydrophobicContact CB-CD1 4.28Å; H357-I404 HydrophobicContact CB-CG1 3.82Å; H357-I404 PolarHBondContact N-O 2.97Å; H357-I404 PolarHBondContact O-N 3.41Å; H357-N439 WeakPolarHBondContact CB-OD1 3.27Å; H357-N439 PolarHBondContact ND1-OD1 2.85Å; H357-T440 WeakPolarHBondContact CA-O 2.78Å |
| 358 | R | 96.3 | Very high | 94.7 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.9 | 166.1 | -172.9 | -179.5 | -66.7 | 178.4 | -1.9 | 108.7 | G310 F313 T401 L403 N439 T440 | G310-R358 PolarHBondContact O-NH2 3.32Å; G310-R358 VanDerWaalsContact O-NH2 3.16Å; F313-R358 HydrophobicContact CD1-CB 4.36Å; F313-R358 VanDerWaalsContact CD1-NH2 3.29Å; F313-R358 HydrophobicContact CE1-CB 3.63Å; F313-R358 HydrophobicContact CE2-CB 4.45Å; F313-R358 HydrophobicContact CZ-CB 3.69Å; R358-T401 HydrophobicContact CG-CG2 3.66Å; R358-L403 HydrophobicContact CB-CD2 3.69Å; R358-L403 HydrophobicContact CG-CD2 4.12Å; R358-N439 CarbonylContact O-C 3.53Å; R358-N439 WeakPolarHBondContact O-CA 3.36Å; R358-T440 PolarHBondContact N-O 3.32Å; R358-T440 PolarHBondContact O-N 2.98Å |
| 359 | L | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.5 | 176.4 | -60.1 | -177.6 | 0 | 0 | 0 | 109.4 | L375 V377 I389 T401 K402 I404 I438 N439 | L359-L375 HydrophobicContact CB-CD1 4.08Å; L359-L375 HydrophobicContact CD1-CB 4.48Å; L359-L375 HydrophobicContact CD1-CD1 4.05Å; L359-V377 HydrophobicContact CD1-CG2 4.03Å; L359-V377 HydrophobicContact CD2-CG2 4.24Å; L359-I389 HydrophobicContact CB-CD1 4.07Å; L359-I389 HydrophobicContact CD1-CD1 3.97Å; L359-T401 CarbonylContact O-C 3.59Å; L359-T401 VanDerWaalsContact O-CA 3.31Å; L359-T401 WeakPolarHBondContact O-CA 3.49Å; L359-K402 PolarHBondContact N-O 3.01Å; L359-K402 PolarHBondContact O-N 3.48Å; L359-I404 HydrophobicContact CD1-CD1 3.55Å; L359-I404 HydrophobicContact CD1-CG1 4.25Å; L359-I404 HydrophobicContact CG-CD1 4.1Å; L359-I404 HydrophobicContact CG-CG1 4.35Å; L359-I438 WeakPolarHBondContact CA-O 3.34Å; L359-N439 HydrophobicContact CD2-CB 3.71Å; L359-N439 WeakPolarHBondContact CD2-OD1 3.06Å |
| 360 | S | 97.7 | Very high | 95 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.4 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | Y400 T401 V437 I438 | S360-Y400 CarbonylContact C-O 3.55Å; S360-Y400 VanDerWaalsContact CA-O 3.31Å; S360-Y400 WeakPolarHBondContact CA-O 3.21Å; S360-T401 WeakPolarHBondContact CB-OG1 3.16Å; S360-T401 VanDerWaalsContact OG-CG2 3.31Å; S360-T401 WeakPolarHBondContact OG-CG2 3.5Å; S360-T401 PolarHBondContact OG-OG1 3.39Å; S360-V437 CarbonylContact O-C 3.44Å; S360-V437 VanDerWaalsContact O-CA 3.28Å; S360-V437 WeakPolarHBondContact O-CA 3.35Å; S360-I438 PolarHBondContact N-O 3.5Å; S360-I438 PolarHBondContact O-N 2.78Å |
| 361 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.9 | 178.9 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | L363 V373 I389 T399 Y400 F418 A434 M436 V437 | V361-L363 HydrophobicContact CG2-CD2 4.1Å; V361-V373 HydrophobicContact CG1-CG1 4.06Å; V361-I389 HydrophobicContact CG1-CB 4.38Å; V361-I389 HydrophobicContact CG1-CG2 3.82Å; V361-T399 CarbonylContact O-C 3.23Å; V361-T399 VanDerWaalsContact O-CA 3.3Å; V361-T399 WeakPolarHBondContact O-CA 2.95Å; V361-Y400 PolarHBondContact N-O 3.08Å; V361-Y400 PolarHBondContact O-N 3.07Å; V361-F418 HydrophobicContact CG2-CD2 4.04Å; V361-F418 HydrophobicContact CG2-CE2 4.17Å; V361-A434 HydrophobicContact CG2-CB 3.56Å; V361-M436 WeakPolarHBondContact CA-O 3.08Å; V361-V437 HydrophobicContact CB-CG2 4.22Å; V361-V437 HydrophobicContact CG2-CG2 3.93Å |
| 362 | K | 98.1 | Very high | 95.5 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 29% | 0.291 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.9 | 170.4 | -173 | -176.9 | 176.2 | -158.1 | 0 | 108.9 | M398 A434 E435 M436 | K362-M398 WeakPolarHBondContact CA-O 2.98Å; K362-A434 CarbonylContact O-C 3.13Å; K362-A434 WeakPolarHBondContact O-CA 3.45Å; K362-E435 WeakPolarHBondContact CD-OE2 3.34Å; K362-E435 WeakPolarHBondContact CE-OE2 3.36Å; K362-E435 IonicContact NZ-OE1 2.79Å; K362-E435 PolarHBondContact NZ-OE1 2.96Å; K362-E435 IonicContact NZ-OE2 3.94Å; K362-E435 PolarHBondContact NZ-OE2 2.92Å; K362-E435 PolarHBondContact O-N 2.71Å; K362-M436 HydrophobicContact CB-CB 4.24Å; K362-M436 PolarHBondContact N-O 2.87Å |
| 363 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 148.7 | -175.8 | -63 | -175.6 | 0 | 0 | 0 | 112.4 | V361 V373 L394 G397 M398 Y400 F418 L432 G433 | V361-L363 HydrophobicContact CG2-CD2 4.1Å; L363-V373 HydrophobicContact CD2-CG2 4.07Å; L363-L394 HydrophobicContact CD1-CB 3.85Å; L363-L394 HydrophobicContact CD1-CD2 4.43Å; L363-G397 WeakPolarHBondContact O-CA 3.26Å; L363-G397 PolarHBondContact O-N 3.48Å; L363-M398 PolarHBondContact N-O 3.23Å; L363-Y400 HydrophobicContact CD1-CD2 3.83Å; L363-Y400 HydrophobicContact CD1-CE2 3.33Å; L363-Y400 HydrophobicContact CG-CD2 3.91Å; L363-Y400 HydrophobicContact CG-CE2 3.83Å; L363-F418 HydrophobicContact CD2-CE2 3.66Å; L363-F418 HydrophobicContact CD2-CZ 3.95Å; L363-L432 HydrophobicContact CB-CD1 4.42Å; L363-L432 HydrophobicContact CD1-CD1 4.39Å; L363-L432 HydrophobicContact CD1-CD2 4.08Å; L363-L432 HydrophobicContact CD2-CD2 4.2Å; L363-L432 HydrophobicContact CD2-CG 4.46Å; L363-G433 CarbonylContact C-O 3.54Å; L363-G433 WeakPolarHBondContact CA-O 3.5Å |
| 364 | R | 96.5 | Very high | 95.6 | Very high | 85 Ų | 85 | 39.4 Ų | 39.4 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.7 | 171.4 | -167.8 | -175.6 | -178.9 | 111.7 | -12.6 | 109.3 | L432 G433 E435 Q453 I455 | R364-L432 CarbonylContact O-C 3.56Å; R364-L432 WeakPolarHBondContact O-CA 3.48Å; R364-L432 WeakPolarHBondContact O-CD1 3.35Å; R364-G433 PolarHBondContact N-O 2.04Å; R364-G433 PolarHBondContact O-N 2.67Å; R364-E435 HydrophobicContact CB-CB 4.13Å; R364-Q453 WeakPolarHBondContact CD-O 3.38Å; R364-Q453 PolarHBondContact NE-O 2.99Å; R364-Q453 VanDerWaalsContact NE-O 3.13Å; R364-I455 HydrophobicContact CB-CG2 4.25Å; R364-I455 HydrophobicContact CG-CG2 4.02Å |
| 365 | G | 93.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P396 | G365-P396 VanDerWaalsContact O-CB 3.28Å; G365-P396 WeakPolarHBondContact O-CB 3.34Å |
| 366 | S | 86.9 | Confident | 95.7 | Very high | 102 Ų | 102 | 38.8 Ų | 38.8 | 71% | 0.713 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -106.8 | -17.1 | -179.9 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 367 | K | 91.8 | Very high | 95.7 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -133.9 | 149.5 | -176.7 | -66 | -178.4 | -178.6 | 178.2 | 0 | 110.6 | T369 P396 N430 | K367-T369 PolarHBondContact O-OG1 3.08Å; K367-P396 WeakPolarHBondContact O-CD 3.48Å; K367-P396 WeakPolarHBondContact O-CG 3.32Å; K367-N430 WeakPolarHBondContact CD-OD1 3.41Å |
| 368 | V | 93.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 44% | 0.442 | 19% | 0.19 | S | C | . | . | trans | -66 | 139.3 | 165.3 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | K393 L394 E395 | V368-K393 HydrophobicContact CG1-CD 4.14Å; V368-K393 HydrophobicContact CG1-CG 3.61Å; V368-L394 WeakPolarHBondContact CA-O 3.25Å; V368-E395 HydrophobicContact CG1-CG 4.21Å; V368-E395 HydrophobicContact CG2-CG 4.12Å | ||
| 369 | T | 94.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.8 | -172.5 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | K367 L394 W420 E426 N430 | K367-T369 PolarHBondContact O-OG1 3.08Å; T369-L394 PolarHBondContact N-O 3.47Å; T369-L394 WeakPolarHBondContact O-CA 3.31Å; T369-L394 VanDerWaalsContact O-CB 3.24Å; T369-L394 WeakPolarHBondContact O-CB 3.5Å; T369-L394 PolarHBondContact O-N 2.79Å; T369-W420 HydrophobicContact CG2-CE3 4.13Å; T369-W420 HydrophobicContact CG2-CH2 3.63Å; T369-W420 HydrophobicContact CG2-CZ3 3.3Å; T369-E426 HydrophobicContact CG2-CG 3.66Å; T369-N430 HydrophobicContact CG2-CB 4.24Å |
| 370 | Q | 95.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.7 | 171.4 | -67.9 | -69 | -19.1 | 0 | 0 | 110.7 | G392 K393 H423 E426 | Q370-G392 WeakPolarHBondContact CA-O 3.36Å; Q370-G392 PolarHBondContact OE1-O 3.41Å; Q370-K393 VanDerWaalsContact OE1-N 3.17Å; Q370-H423 HydrophobicContact CB-CB 4.24Å; Q370-H423 PolarHBondContact O-N 3.48Å; Q370-E426 WeakPolarHBondContact CA-OE2 3.42Å; Q370-E426 VanDerWaalsContact CB-OE2 3.29Å; Q370-E426 WeakPolarHBondContact CB-OE2 3.22Å; Q370-E426 PolarHBondContact N-OE2 3.28Å; Q370-E426 WeakPolarHBondContact O-CG 3.49Å |
| 371 | G | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | -172.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S391 G392 K421 | G371-S391 CarbonylContact O-C 3.56Å; G371-S391 WeakPolarHBondContact O-CA 3.49Å; G371-G392 PolarHBondContact N-O 3.48Å; G371-G392 PolarHBondContact O-N 2.67Å; G371-G392 VanDerWaalsContact O-O 3.12Å; G371-K421 CarbonylContact C-O 3.55Å; G371-K421 WeakPolarHBondContact CA-O 3.13Å |
| 372 | T | 97.7 | Very high | 94.6 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 13% | 0.129 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.2 | 174.9 | -52.2 | 0 | 0 | 0 | 0 | 109.4 | F374 A388 A390 S391 W420 K421 H423 | T372-F374 HydrophobicContact CG2-CD2 4.17Å; T372-F374 HydrophobicContact CG2-CE1 4.15Å; T372-F374 HydrophobicContact CG2-CE2 3.44Å; T372-F374 VanDerWaalsContact CG2-CE2 3.44Å; T372-F374 HydrophobicContact CG2-CZ 3.43Å; T372-F374 VanDerWaalsContact CG2-CZ 3.43Å; T372-F374 WeakPolarHBondContact O-CD2 3.47Å; T372-A388 HydrophobicContact CG2-CB 4.21Å; T372-A390 CarbonylContact C-O 3.27Å; T372-A390 VanDerWaalsContact CA-O 3.31Å; T372-A390 WeakPolarHBondContact CA-O 3.49Å; T372-A390 WeakPolarHBondContact CG2-O 3.25Å; T372-S391 PolarHBondContact OG1-OG 3.22Å; T372-W420 CarbonylContact O-C 3.2Å; T372-W420 VanDerWaalsContact O-CA 3.31Å; T372-W420 WeakPolarHBondContact O-CA 3.48Å; T372-K421 PolarHBondContact N-O 2.96Å; T372-K421 PolarHBondContact O-N 3.23Å; T372-H423 PolarHBondContact OG1-NE2 3.18Å |
| 373 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.5 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 109.3 | V361 L363 A388 I389 A390 L394 F418 L432 | V361-V373 HydrophobicContact CG1-CG1 4.06Å; L363-V373 HydrophobicContact CD2-CG2 4.07Å; V373-A388 CarbonylContact O-C 3.44Å; V373-A388 WeakPolarHBondContact O-CA 3.3Å; V373-I389 HydrophobicContact CG1-CB 4.27Å; V373-I389 PolarHBondContact O-N 3.15Å; V373-A390 PolarHBondContact N-O 3.18Å; V373-L394 HydrophobicContact CG2-CD1 3.65Å; V373-L394 HydrophobicContact CG2-CD2 3.84Å; V373-L394 HydrophobicContact CG2-CG 4.36Å; V373-F418 HydrophobicContact CB-CE2 4.3Å; V373-F418 HydrophobicContact CG1-CD2 3.85Å; V373-F418 HydrophobicContact CG1-CE2 3.41Å; V373-F418 VanDerWaalsContact CG1-CE2 3.41Å; V373-F418 HydrophobicContact CG1-CZ 4.4Å; V373-F418 HydrophobicContact CG2-CE2 4.02Å; V373-F418 HydrophobicContact CG2-CZ 4.34Å; V373-L432 HydrophobicContact CG2-CD2 4.46Å |
| 374 | F | 97.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.1 | 175.5 | -59.5 | -94.9 | 0 | 0 | 0 | 110.4 | T372 E386 V387 A388 I419 K421 | T372-F374 HydrophobicContact CG2-CD2 4.17Å; T372-F374 HydrophobicContact CG2-CE1 4.15Å; T372-F374 HydrophobicContact CG2-CE2 3.44Å; T372-F374 VanDerWaalsContact CG2-CE2 3.44Å; T372-F374 HydrophobicContact CG2-CZ 3.43Å; T372-F374 VanDerWaalsContact CG2-CZ 3.43Å; T372-F374 WeakPolarHBondContact O-CD2 3.47Å; F374-E386 HydrophobicContact CB-CB 4.21Å; F374-E386 HydrophobicContact CD1-CB 3.85Å; F374-E386 HydrophobicContact CG-CB 4.31Å; F374-V387 CarbonylContact C-O 3.51Å; F374-V387 VanDerWaalsContact CA-O 3.27Å; F374-V387 WeakPolarHBondContact CA-O 3.47Å; F374-A388 HydrophobicContact CD1-CB 3.81Å; F374-A388 HydrophobicContact CE1-CB 3.63Å; F374-A388 HydrophobicContact CZ-CB 4.4Å; F374-I419 WeakPolarHBondContact CA-O 3.44Å; F374-I419 HydrophobicContact CB-CB 4.37Å; F374-I419 PolarHBondContact N-O 2.83Å; F374-I419 PolarHBondContact O-N 3.2Å; F374-I419 VanDerWaalsContact O-O 3.07Å; F374-K421 HydrophobicContact CD2-CD 4.2Å; F374-K421 HydrophobicContact CD2-CG 3.95Å; F374-K421 HydrophobicContact CE2-CB 4.07Å; F374-K421 HydrophobicContact CE2-CD 3.61Å; F374-K421 HydrophobicContact CE2-CG 3.62Å; F374-K421 HydrophobicContact CZ-CD 4.19Å |
| 375 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.8 | 168.1 | -64.1 | 177.9 | 0 | 0 | 0 | 109.9 | L359 V387 I389 V416 Q417 F418 V437 | L359-L375 HydrophobicContact CB-CD1 4.08Å; L359-L375 HydrophobicContact CD1-CB 4.48Å; L359-L375 HydrophobicContact CD1-CD1 4.05Å; L375-V387 PolarHBondContact N-O 3.29Å; L375-V387 PolarHBondContact O-N 3.27Å; L375-I389 HydrophobicContact CB-CD1 4.44Å; L375-I389 HydrophobicContact CB-CG1 4.27Å; L375-I389 HydrophobicContact CD1-CD1 3.92Å; L375-I389 HydrophobicContact CD1-CG1 3.7Å; L375-I389 HydrophobicContact CG-CD1 4.21Å; L375-I389 HydrophobicContact CG-CG1 3.67Å; L375-V416 HydrophobicContact CD2-CG1 4Å; L375-Q417 CarbonylContact C-O 3.59Å; L375-Q417 WeakPolarHBondContact CA-O 3.49Å; L375-F418 HydrophobicContact CD2-CB 4.1Å; L375-F418 HydrophobicContact CD2-CD2 4.13Å; L375-V437 HydrophobicContact CD1-CG1 3.87Å; L375-V437 HydrophobicContact CD1-CG2 4.45Å; L375-V437 HydrophobicContact CD2-CG2 3.95Å |
| 376 | R | 96.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 47 Ų | 47 | 30% | 0.302 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.1 | 161.5 | -59.5 | 179.2 | -176.8 | 172.4 | -3 | 108 | E386 V416 Q417 I419 | R376-E386 HydrophobicContact CG-CG 3.96Å; R376-E386 IonicContact CZ-OE1 2.93Å; R376-E386 IonicContact NE-OE1 2.8Å; R376-E386 IonicContact NH2-OE1 3.72Å; R376-E386 PolarHBondContact NH2-OE1 3.23Å; R376-V416 WeakPolarHBondContact O-CA 3.42Å; R376-Q417 HydrophobicContact CB-CB 4.2Å; R376-Q417 PolarHBondContact N-O 2.86Å; R376-Q417 PolarHBondContact O-N 2.77Å; R376-I419 HydrophobicContact CG-CD1 4.18Å |
| 377 | V | 94.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.6 | -177 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | L359 K383 T384 V410 I413 | L359-V377 HydrophobicContact CD1-CG2 4.03Å; L359-V377 HydrophobicContact CD2-CG2 4.24Å; V377-K383 CarbonylContact O-C 3.52Å; V377-K383 VanDerWaalsContact O-CA 3.31Å; V377-K383 WeakPolarHBondContact O-CA 3.37Å; V377-T384 HydrophobicContact CB-CG2 4.11Å; V377-T384 PolarHBondContact N-OG1 3.35Å; V377-T384 PolarHBondContact O-N 3.23Å; V377-V410 HydrophobicContact CG1-CG2 4.35Å; V377-I413 HydrophobicContact CG1-CB 4.42Å; V377-I413 HydrophobicContact CG1-CD1 3.61Å; V377-I413 HydrophobicContact CG1-CG1 3.84Å; V377-I413 HydrophobicContact CG1-CG2 3.69Å |
| 378 | G | 93.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | I413 T414 S415 | G378-I413 WeakPolarHBondContact O-CG2 3.46Å; G378-T414 PolarHBondContact O-N 3.41Å; G378-T414 PolarHBondContact O-OG1 3.44Å; G378-S415 PolarHBondContact N-O 2.89Å; G378-S415 PolarHBondContact O-N 3.46Å; G378-S415 VanDerWaalsContact O-O 3.08Å |
| 379 | G | 91.6 | Very high | 95 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | -162.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I381 G382 V410 N412 | G379-I381 VanDerWaalsContact C-N 3.29Å; G379-I381 PolarHBondContact O-N 3.11Å; G379-G382 PolarHBondContact N-O 3.21Å; G379-V410 CarbonylContact C-O 3.53Å; G379-V410 VanDerWaalsContact C-O 3.23Å; G379-V410 WeakPolarHBondContact CA-O 3.45Å; G379-N412 CarbonylContact C-O 3.56Å; G379-N412 WeakPolarHBondContact CA-O 3.33Å |
| 380 | T | 92.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -66 | -27 | -171.9 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | V410 N412 T414 | T380-V410 PolarHBondContact N-O 3.17Å; T380-N412 HydrophobicContact CG2-CB 3.93Å; T380-N412 PolarHBondContact N-O 3.47Å; T380-N412 PolarHBondContact OG1-N 3.38Å; T380-T414 HydrophobicContact CG2-CG2 4.08Å |
| 381 | I | 92.5 | Very high | 95.2 | Very high | 118 Ų | 118 | 37.6 Ų | 37.6 | 61% | 0.605 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -129.5 | -3.8 | -172.4 | 56.5 | 168 | 0 | 0 | 0 | 113.9 | G379 N409 V410 | G379-I381 VanDerWaalsContact C-N 3.29Å; G379-I381 PolarHBondContact O-N 3.11Å; I381-N409 HydrophobicContact CD1-CB 4.15Å; I381-V410 PolarHBondContact N-O 3.34Å |
| 382 | G | 91.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | trans | -170.2 | 171.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G379 | G379-G382 PolarHBondContact N-O 3.21Š| ||
| 383 | K | 93.6 | Very high | 95.1 | Very high | 104 Ų | 104 | 42.8 Ų | 42.8 | 45% | 0.452 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -142.8 | 137.5 | 177.5 | -175.8 | 176.9 | 179.9 | 175.2 | 0 | 110 | V377 | V377-K383 CarbonylContact O-C 3.52Å; V377-K383 VanDerWaalsContact O-CA 3.31Å; V377-K383 WeakPolarHBondContact O-CA 3.37Å |
| 384 | T | 94.3 | Very high | 95 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | trans | -77.5 | 159.4 | 176.7 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | V377 A406 V410 | V377-T384 HydrophobicContact CB-CG2 4.11Å; V377-T384 PolarHBondContact N-OG1 3.35Å; V377-T384 PolarHBondContact O-N 3.23Å; T384-A406 HydrophobicContact CG2-CB 4.4Å; T384-V410 HydrophobicContact CG2-CG1 3.75Å | ||
| 385 | G | 93.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | trans | -64.9 | -170.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V387 | G385-V387 PolarHBondContact O-N 3.17Š| ||
| 386 | E | 95.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | trans | -73 | 116.3 | 173.4 | -71.5 | -175.8 | -179.6 | 0 | 0 | 111.2 | F374 R376 I419 K421 | F374-E386 HydrophobicContact CB-CB 4.21Å; F374-E386 HydrophobicContact CD1-CB 3.85Å; F374-E386 HydrophobicContact CG-CB 4.31Å; R376-E386 HydrophobicContact CG-CG 3.96Å; R376-E386 IonicContact CZ-OE1 2.93Å; R376-E386 IonicContact NE-OE1 2.8Å; R376-E386 IonicContact NH2-OE1 3.72Å; R376-E386 PolarHBondContact NH2-OE1 3.23Å; E386-I419 HydrophobicContact CG-CD1 4.3Å; E386-K421 IonicContact OE1-NZ 3.51Å; E386-K421 WeakPolarHBondContact OE2-CE 3.25Å; E386-K421 IonicContact OE2-NZ 2.71Å; E386-K421 PolarHBondContact OE2-NZ 2.71Å | ||
| 387 | V | 95.3 | Very high | 94.8 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110.3 | 177.7 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | F374 L375 G385 I389 I404 | F374-V387 CarbonylContact C-O 3.51Å; F374-V387 VanDerWaalsContact CA-O 3.27Å; F374-V387 WeakPolarHBondContact CA-O 3.47Å; L375-V387 PolarHBondContact N-O 3.29Å; L375-V387 PolarHBondContact O-N 3.27Å; G385-V387 PolarHBondContact O-N 3.17Å; V387-I389 HydrophobicContact CG1-CD1 4.18Å; V387-I389 PolarHBondContact O-N 2.93Å; V387-I404 HydrophobicContact CG1-CB 4.29Å; V387-I404 HydrophobicContact CG1-CD1 4.14Å; V387-I404 HydrophobicContact CG1-CG2 3.6Å; V387-I404 HydrophobicContact CG2-CD1 4.31Å |
| 388 | A | 96.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 121.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T372 V373 F374 K402 | T372-A388 HydrophobicContact CG2-CB 4.21Å; V373-A388 CarbonylContact O-C 3.44Å; V373-A388 WeakPolarHBondContact O-CA 3.3Å; F374-A388 HydrophobicContact CD1-CB 3.81Å; F374-A388 HydrophobicContact CE1-CB 3.63Å; F374-A388 HydrophobicContact CZ-CB 4.4Å; A388-K402 WeakPolarHBondContact O-CD 3.48Å; A388-K402 WeakPolarHBondContact O-CE 3.42Å; A388-K402 PolarHBondContact O-NZ 3.17Å |
| 389 | I | 96.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -45 | -178.2 | -54.3 | -54.8 | 0 | 0 | 0 | 111.9 | L359 V361 V373 L375 V387 K402 | L359-I389 HydrophobicContact CB-CD1 4.07Å; L359-I389 HydrophobicContact CD1-CD1 3.97Å; V361-I389 HydrophobicContact CG1-CB 4.38Å; V361-I389 HydrophobicContact CG1-CG2 3.82Å; V373-I389 HydrophobicContact CG1-CB 4.27Å; V373-I389 PolarHBondContact O-N 3.15Å; L375-I389 HydrophobicContact CB-CD1 4.44Å; L375-I389 HydrophobicContact CB-CG1 4.27Å; L375-I389 HydrophobicContact CD1-CD1 3.92Å; L375-I389 HydrophobicContact CD1-CG1 3.7Å; L375-I389 HydrophobicContact CG-CD1 4.21Å; L375-I389 HydrophobicContact CG-CG1 3.67Å; V387-I389 HydrophobicContact CG1-CD1 4.18Å; V387-I389 PolarHBondContact O-N 2.93Å; I389-K402 HydrophobicContact CD1-CB 4.32Å; I389-K402 HydrophobicContact CG2-CB 4.12Å |
| 390 | A | 96.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T372 V373 L394 Y400 | T372-A390 CarbonylContact C-O 3.27Å; T372-A390 VanDerWaalsContact CA-O 3.31Å; T372-A390 WeakPolarHBondContact CA-O 3.49Å; T372-A390 WeakPolarHBondContact CG2-O 3.25Å; V373-A390 PolarHBondContact N-O 3.18Å; A390-L394 HydrophobicContact CB-CD2 4.27Å; A390-Y400 HydrophobicContact CB-CD1 3.36Å; A390-Y400 HydrophobicContact CB-CE1 4.05Å; A390-Y400 HydrophobicContact CB-CG 3.72Å |
| 391 | S | 96.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.7 | 177.1 | -167.8 | 0 | 0 | 0 | 0 | 110.2 | G371 T372 H423 | G371-S391 CarbonylContact O-C 3.56Å; G371-S391 WeakPolarHBondContact O-CA 3.49Å; T372-S391 PolarHBondContact OG1-OG 3.22Å; S391-H423 PolarHBondContact OG-CE1 3.2Å; S391-H423 PolarHBondContact OG-NE2 2.93Å |
| 392 | G | 95.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.3 | -136.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q370 G371 L394 | Q370-G392 WeakPolarHBondContact CA-O 3.36Å; Q370-G392 PolarHBondContact OE1-O 3.41Å; G371-G392 PolarHBondContact N-O 3.48Å; G371-G392 PolarHBondContact O-N 2.67Å; G371-G392 VanDerWaalsContact O-O 3.12Å; G392-L394 PolarHBondContact O-N 2.92Å |
| 393 | K | 95.9 | Very high | 96 | Very high | 113 Ų | 113 | 53 Ų | 53 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 114.2 | -177.5 | -165.7 | -174 | 179.6 | -155.6 | 0 | 111 | V368 Q370 E395 Y400 | V368-K393 HydrophobicContact CG1-CD 4.14Å; V368-K393 HydrophobicContact CG1-CG 3.61Å; Q370-K393 VanDerWaalsContact OE1-N 3.17Å; K393-E395 WeakPolarHBondContact CD-OE1 3.46Å; K393-E395 WeakPolarHBondContact CE-OE1 3.42Å; K393-E395 HydrophobicContact CG-CG 4.39Å; K393-E395 IonicContact NZ-OE1 3.04Å; K393-E395 PolarHBondContact NZ-OE1 3.26Å; K393-Y400 PolarHBondContact O-OH 2.92Å |
| 394 | L | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.7 | 179.9 | -53.6 | 177.4 | 0 | 0 | 0 | 109.7 | L363 V368 T369 V373 A390 G392 Y400 L432 | L363-L394 HydrophobicContact CD1-CB 3.85Å; L363-L394 HydrophobicContact CD1-CD2 4.43Å; V368-L394 WeakPolarHBondContact CA-O 3.25Å; T369-L394 PolarHBondContact N-O 3.47Å; T369-L394 WeakPolarHBondContact O-CA 3.31Å; T369-L394 VanDerWaalsContact O-CB 3.24Å; T369-L394 WeakPolarHBondContact O-CB 3.5Å; T369-L394 PolarHBondContact O-N 2.79Å; V373-L394 HydrophobicContact CG2-CD1 3.65Å; V373-L394 HydrophobicContact CG2-CD2 3.84Å; V373-L394 HydrophobicContact CG2-CG 4.36Å; A390-L394 HydrophobicContact CB-CD2 4.27Å; G392-L394 PolarHBondContact O-N 2.92Å; L394-Y400 WeakPolarHBondContact CA-OH 3.5Å; L394-L432 HydrophobicContact CB-CD2 4.18Å; L394-L432 HydrophobicContact CD1-CD2 3.73Å |
| 395 | E | 96.5 | Very high | 96.1 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | trans | -111.2 | 119.5 | -176.3 | -63.7 | -173.7 | 176.4 | 0 | 0 | 110.1 | V368 K393 M398 Y400 | V368-E395 HydrophobicContact CG1-CG 4.21Å; V368-E395 HydrophobicContact CG2-CG 4.12Å; K393-E395 WeakPolarHBondContact CD-OE1 3.46Å; K393-E395 WeakPolarHBondContact CE-OE1 3.42Å; K393-E395 HydrophobicContact CG-CG 4.39Å; K393-E395 IonicContact NZ-OE1 3.04Å; K393-E395 PolarHBondContact NZ-OE1 3.26Å; E395-M398 HydrophobicContact CB-CB 4.28Å; E395-M398 HydrophobicContact CB-CG 3.69Å; E395-M398 WeakPolarHBondContact O-CB 3.37Å; E395-M398 PolarHBondContact O-N 3.08Å; E395-M398 VanDerWaalsContact O-N 3.16Å; E395-Y400 PolarHBondContact N-OH 3.02Å | ||
| 396 | P | 96 | Very high | 96.2 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 141.6 | 171.5 | -28.1 | 36.3 | 0 | 0 | 0 | 112.4 | G365 K367 M398 L432 | G365-P396 VanDerWaalsContact O-CB 3.28Å; G365-P396 WeakPolarHBondContact O-CB 3.34Å; K367-P396 WeakPolarHBondContact O-CD 3.48Å; K367-P396 WeakPolarHBondContact O-CG 3.32Å; P396-M398 PolarHBondContact O-N 3.46Å; P396-L432 HydrophobicContact CG-CD1 4.23Å |
| 397 | G | 95.3 | Very high | 96 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -22 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L363 | L363-G397 WeakPolarHBondContact O-CA 3.26Å; L363-G397 PolarHBondContact O-N 3.48Å |
| 398 | M | 97.1 | Very high | 95.9 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 49% | 0.493 | 29% | 0.291 | S | S | . | . | trans | -78.8 | 148.7 | 179.2 | -64.3 | -58.3 | -72.5 | 0 | 0 | 112.4 | K362 L363 E395 P396 Y400 | K362-M398 WeakPolarHBondContact CA-O 2.98Å; L363-M398 PolarHBondContact N-O 3.23Å; E395-M398 HydrophobicContact CB-CB 4.28Å; E395-M398 HydrophobicContact CB-CG 3.69Å; E395-M398 WeakPolarHBondContact O-CB 3.37Å; E395-M398 PolarHBondContact O-N 3.08Å; E395-M398 VanDerWaalsContact O-N 3.16Å; P396-M398 PolarHBondContact O-N 3.46Å; M398-Y400 HydrophobicContact CB-CE2 3.84Å | ||
| 399 | T | 98.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.2 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | V361 | V361-T399 CarbonylContact O-C 3.23Å; V361-T399 VanDerWaalsContact O-CA 3.3Å; V361-T399 WeakPolarHBondContact O-CA 2.95Å |
| 400 | Y | 97.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.5 | 176.3 | -61.3 | -95.6 | 0 | 0 | 0 | 109.1 | S360 V361 L363 A390 K393 L394 E395 M398 | S360-Y400 CarbonylContact C-O 3.55Å; S360-Y400 VanDerWaalsContact CA-O 3.31Å; S360-Y400 WeakPolarHBondContact CA-O 3.21Å; V361-Y400 PolarHBondContact N-O 3.08Å; V361-Y400 PolarHBondContact O-N 3.07Å; L363-Y400 HydrophobicContact CD1-CD2 3.83Å; L363-Y400 HydrophobicContact CD1-CE2 3.33Å; L363-Y400 HydrophobicContact CG-CD2 3.91Å; L363-Y400 HydrophobicContact CG-CE2 3.83Å; A390-Y400 HydrophobicContact CB-CD1 3.36Å; A390-Y400 HydrophobicContact CB-CE1 4.05Å; A390-Y400 HydrophobicContact CB-CG 3.72Å; K393-Y400 PolarHBondContact O-OH 2.92Å; L394-Y400 WeakPolarHBondContact CA-OH 3.5Å; E395-Y400 PolarHBondContact N-OH 3.02Å; M398-Y400 HydrophobicContact CB-CE2 3.84Å |
| 401 | T | 96.6 | Very high | 95 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137 | -176.6 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | R358 L359 S360 | R358-T401 HydrophobicContact CG-CG2 3.66Å; L359-T401 CarbonylContact O-C 3.59Å; L359-T401 VanDerWaalsContact O-CA 3.31Å; L359-T401 WeakPolarHBondContact O-CA 3.49Å; S360-T401 WeakPolarHBondContact CB-OG1 3.16Å; S360-T401 VanDerWaalsContact OG-CG2 3.31Å; S360-T401 WeakPolarHBondContact OG-CG2 3.5Å; S360-T401 PolarHBondContact OG-OG1 3.39Å |
| 402 | K | 95.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.2 | 174.4 | -168.3 | 171.7 | 179.8 | 175.1 | 0 | 111.1 | L359 A388 I389 I404 | L359-K402 PolarHBondContact N-O 3.01Å; L359-K402 PolarHBondContact O-N 3.48Å; A388-K402 WeakPolarHBondContact O-CD 3.48Å; A388-K402 WeakPolarHBondContact O-CE 3.42Å; A388-K402 PolarHBondContact O-NZ 3.17Å; I389-K402 HydrophobicContact CD1-CB 4.32Å; I389-K402 HydrophobicContact CG2-CB 4.12Å; K402-I404 HydrophobicContact CB-CG2 4.48Å; K402-I404 HydrophobicContact CD-CG2 4.36Å; K402-I404 HydrophobicContact CG-CG2 4.09Å |
| 403 | L | 95.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.9 | 164.7 | -78.4 | 168.1 | 0 | 0 | 0 | 109.3 | F313 H357 R358 | F313-L403 HydrophobicContact CB-CD2 4.44Å; F313-L403 HydrophobicContact CD1-CD2 4.29Å; F313-L403 HydrophobicContact CD2-CD2 3.64Å; F313-L403 HydrophobicContact CE2-CD2 3.85Å; F313-L403 HydrophobicContact CG-CD2 3.87Å; F313-L403 HydrophobicContact CZ-CD2 4.3Å; H357-L403 WeakPolarHBondContact O-CA 3.47Å; R358-L403 HydrophobicContact CB-CD2 3.69Å; R358-L403 HydrophobicContact CG-CD2 4.12Å |
| 404 | I | 95 | Very high | 94.3 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.7 | -177.5 | 69.4 | 159.6 | 0 | 0 | 0 | 108.8 | R356 H357 L359 V387 K402 A406 | R356-I404 CarbonylContact C-O 3.5Å; R356-I404 VanDerWaalsContact CA-O 3.28Å; R356-I404 WeakPolarHBondContact CA-O 3.4Å; H357-I404 HydrophobicContact CB-CD1 4.28Å; H357-I404 HydrophobicContact CB-CG1 3.82Å; H357-I404 PolarHBondContact N-O 2.97Å; H357-I404 PolarHBondContact O-N 3.41Å; L359-I404 HydrophobicContact CD1-CD1 3.55Å; L359-I404 HydrophobicContact CD1-CG1 4.25Å; L359-I404 HydrophobicContact CG-CD1 4.1Å; L359-I404 HydrophobicContact CG-CG1 4.35Å; V387-I404 HydrophobicContact CG1-CB 4.29Å; V387-I404 HydrophobicContact CG1-CD1 4.14Å; V387-I404 HydrophobicContact CG1-CG2 3.6Å; V387-I404 HydrophobicContact CG2-CD1 4.31Å; K402-I404 HydrophobicContact CB-CG2 4.48Å; K402-I404 HydrophobicContact CD-CG2 4.36Å; K402-I404 HydrophobicContact CG-CG2 4.09Å; I404-A406 HydrophobicContact CD1-CB 4.42Å |
| 405 | D | 95.5 | Very high | 94 | Very high | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 93.2 | 169.3 | -61.3 | -63.9 | 0 | 0 | 0 | 105.9 | N345 R354 W355 R356 | N345-D405 HydrophobicContact CB-CB 4.24Å; N345-D405 WeakPolarHBondContact CB-OD2 3.38Å; N345-D405 PolarHBondContact ND2-OD2 2.95Å; R354-D405 HydrophobicContact CB-CB 4.05Å; R354-D405 HydrophobicContact CG-CB 4.3Å; W355-D405 CarbonylContact O-C 3.52Å; R356-D405 WeakPolarHBondContact CB-OD1 2.98Å; R356-D405 VanDerWaalsContact CG-OD1 3.26Å; R356-D405 WeakPolarHBondContact CG-OD1 3.39Å; R356-D405 IonicContact CZ-OD1 3.98Å; R356-D405 IonicContact NH1-OD1 2.75Å; R356-D405 PolarHBondContact NH1-OD1 3.08Å; R356-D405 IonicContact NH1-OD2 2.92Å; R356-D405 PolarHBondContact NH1-OD2 3.06Å |
| 406 | A | 94.4 | Very high | 94 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 140.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R354 W355 T384 I404 V408 | R354-A406 CarbonylContact C-O 3.57Å; R354-A406 VanDerWaalsContact CA-O 3.24Å; R354-A406 WeakPolarHBondContact CA-O 3.31Å; R354-A406 VanDerWaalsContact CD-O 3.3Å; R354-A406 WeakPolarHBondContact CD-O 3.31Å; W355-A406 PolarHBondContact N-O 3.47Å; W355-A406 PolarHBondContact O-N 3Å; T384-A406 HydrophobicContact CG2-CB 4.4Å; I404-A406 HydrophobicContact CD1-CB 4.42Å; A406-V408 VanDerWaalsContact C-N 3.28Å |
| 407 | D | 92.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -81.8 | -4.7 | 177.1 | 58.9 | -15.2 | 0 | 0 | 0 | 113.8 | ||
| 408 | V | 92.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 30% | 0.297 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -128.6 | 133.4 | 180 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | W355 A406 V410 | W355-V408 VanDerWaalsContact CE3-C 3.43Å; A406-V408 VanDerWaalsContact C-N 3.28Å; V408-V410 PolarHBondContact O-N 2.86Å |
| 409 | N | 91.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 44 Ų | 44 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | trans | -72.8 | 111.4 | 165.8 | -168.2 | -7.1 | 0 | 0 | 0 | 109.2 | W355 I381 G411 | W355-N409 HydrophobicContact CD2-CB 3.84Å; W355-N409 HydrophobicContact CE3-CB 4.2Å; W355-N409 VanDerWaalsContact CE3-N 3.34Å; W355-N409 HydrophobicContact CG-CB 4.46Å; W355-N409 HydrophobicContact CH2-CB 3.95Å; W355-N409 HydrophobicContact CZ2-CB 3.58Å; W355-N409 HydrophobicContact CZ3-CB 4.25Å; I381-N409 HydrophobicContact CD1-CB 4.15Å; N409-G411 PolarHBondContact OD1-N 3.33Å | ||
| 410 | V | 91 | Very high | 94.2 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | trans | -84.9 | -12.6 | 176.5 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | V377 G379 T380 I381 T384 V408 I413 | V377-V410 HydrophobicContact CG1-CG2 4.35Å; G379-V410 CarbonylContact C-O 3.53Å; G379-V410 VanDerWaalsContact C-O 3.23Å; G379-V410 WeakPolarHBondContact CA-O 3.45Å; T380-V410 PolarHBondContact N-O 3.17Å; I381-V410 PolarHBondContact N-O 3.34Å; T384-V410 HydrophobicContact CG2-CG1 3.75Å; V408-V410 PolarHBondContact O-N 2.86Å; V410-I413 HydrophobicContact CG2-CG1 3.98Å | ||
| 411 | G | 89.4 | Confident | 94.1 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | trans | 64.1 | -139.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N409 I413 | N409-G411 PolarHBondContact OD1-N 3.33Å; G411-I413 PolarHBondContact O-N 2.95Å | ||
| 412 | N | 89.1 | Confident | 94 | Very high | 123 Ų | 123 | 41.3 Ų | 41.3 | 66% | 0.658 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -73.6 | 124.4 | 175.2 | -72.6 | -14.4 | 0 | 0 | 0 | 109.2 | G379 T380 T414 | G379-N412 CarbonylContact C-O 3.56Å; G379-N412 WeakPolarHBondContact CA-O 3.33Å; T380-N412 HydrophobicContact CG2-CB 3.93Å; T380-N412 PolarHBondContact N-O 3.47Å; T380-N412 PolarHBondContact OG1-N 3.38Å; N412-T414 PolarHBondContact O-N 2.9Å |
| 413 | I | 91.4 | Very high | 93.9 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.7 | -176.9 | -57.2 | 176.3 | 0 | 0 | 0 | 109.3 | V377 G378 V410 G411 V416 N439 F450 | V377-I413 HydrophobicContact CG1-CB 4.42Å; V377-I413 HydrophobicContact CG1-CD1 3.61Å; V377-I413 HydrophobicContact CG1-CG1 3.84Å; V377-I413 HydrophobicContact CG1-CG2 3.69Å; G378-I413 WeakPolarHBondContact O-CG2 3.46Å; V410-I413 HydrophobicContact CG2-CG1 3.98Å; G411-I413 PolarHBondContact O-N 2.95Å; I413-V416 HydrophobicContact CG2-CG2 4.21Å; I413-N439 HydrophobicContact CD1-CB 3.61Å; I413-N439 WeakPolarHBondContact CD1-ND2 3.11Å; I413-F450 HydrophobicContact CB-CE2 4.28Å; I413-F450 HydrophobicContact CB-CZ 4.09Å; I413-F450 HydrophobicContact CG2-CE1 4.4Å; I413-F450 HydrophobicContact CG2-CE2 3.6Å; I413-F450 HydrophobicContact CG2-CZ 3.44Å; I413-F450 VanDerWaalsContact CG2-CZ 3.44Å |
| 414 | T | 91.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -21.3 | -178.3 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | G378 T380 N412 | G378-T414 PolarHBondContact O-N 3.41Å; G378-T414 PolarHBondContact O-OG1 3.44Å; T380-T414 HydrophobicContact CG2-CG2 4.08Å; N412-T414 PolarHBondContact O-N 2.9Å |
| 415 | S | 90.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 150.1 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | G378 | G378-S415 PolarHBondContact N-O 2.89Å; G378-S415 PolarHBondContact O-N 3.46Å; G378-S415 VanDerWaalsContact O-O 3.08Å |
| 416 | V | 96.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.4 | 170.4 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | L375 R376 I413 V437 F450 L464 | L375-V416 HydrophobicContact CD2-CG1 4Å; R376-V416 WeakPolarHBondContact O-CA 3.42Å; I413-V416 HydrophobicContact CG2-CG2 4.21Å; V416-V437 HydrophobicContact CG1-CB 4.25Å; V416-V437 HydrophobicContact CG1-CG1 4.03Å; V416-V437 HydrophobicContact CG1-CG2 4.19Å; V416-V437 HydrophobicContact CG2-CG1 4.48Å; V416-F450 HydrophobicContact CB-CB 4.46Å; V416-F450 HydrophobicContact CB-CD2 4.5Å; V416-F450 HydrophobicContact CB-CG 4.29Å; V416-F450 HydrophobicContact CG2-CB 4.39Å; V416-F450 HydrophobicContact CG2-CD1 4.29Å; V416-F450 HydrophobicContact CG2-CD2 3.59Å; V416-F450 HydrophobicContact CG2-CE2 3.9Å; V416-F450 HydrophobicContact CG2-CG 3.83Å; V416-F450 HydrophobicContact CG2-CZ 4.42Å; V416-L464 HydrophobicContact CB-CB 4.49Å; V416-L464 HydrophobicContact CG1-CD1 4.28Å; V416-L464 PolarHBondContact O-N 2.89Å |
| 417 | Q | 97.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.8 | 170.1 | -49.5 | -172 | -67 | 0 | 0 | 109.4 | L375 R376 Q462 N463 | L375-Q417 CarbonylContact C-O 3.59Å; L375-Q417 WeakPolarHBondContact CA-O 3.49Å; R376-Q417 HydrophobicContact CB-CB 4.2Å; R376-Q417 PolarHBondContact N-O 2.86Å; R376-Q417 PolarHBondContact O-N 2.77Å; Q417-Q462 CarbonylContact C-O 3.53Å; Q417-Q462 VanDerWaalsContact CA-O 3.26Å; Q417-Q462 WeakPolarHBondContact CA-O 3.42Å; Q417-N463 WeakPolarHBondContact CG-OD1 3.4Å; Q417-N463 PolarHBondContact NE2-OD1 3.48Å |
| 418 | F | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.7 | 170 | 167.6 | -89.4 | 0 | 0 | 0 | 109.6 | V361 L363 V373 L375 W420 L432 A434 P461 Q462 L464 | V361-F418 HydrophobicContact CG2-CD2 4.04Å; V361-F418 HydrophobicContact CG2-CE2 4.17Å; L363-F418 HydrophobicContact CD2-CE2 3.66Å; L363-F418 HydrophobicContact CD2-CZ 3.95Å; V373-F418 HydrophobicContact CB-CE2 4.3Å; V373-F418 HydrophobicContact CG1-CD2 3.85Å; V373-F418 HydrophobicContact CG1-CE2 3.41Å; V373-F418 VanDerWaalsContact CG1-CE2 3.41Å; V373-F418 HydrophobicContact CG1-CZ 4.4Å; V373-F418 HydrophobicContact CG2-CE2 4.02Å; V373-F418 HydrophobicContact CG2-CZ 4.34Å; L375-F418 HydrophobicContact CD2-CB 4.1Å; L375-F418 HydrophobicContact CD2-CD2 4.13Å; F418-W420 HydrophobicContact CE1-CB 4.13Å; F418-W420 AromaticContact CE1-CD1 3.85Å; F418-W420 HydrophobicContact CE1-CG 4.32Å; F418-W420 HydrophobicContact CZ-CB 3.94Å; F418-W420 HydrophobicContact CZ-CG 4.44Å; F418-L432 HydrophobicContact CZ-CD2 4.02Å; F418-L432 HydrophobicContact CZ-CG 4.18Å; F418-A434 HydrophobicContact CB-CB 3.86Å; F418-A434 HydrophobicContact CD1-CB 4.44Å; F418-A434 HydrophobicContact CD2-CB 3.64Å; F418-A434 HydrophobicContact CE2-CB 4.22Å; F418-A434 HydrophobicContact CG-CB 3.74Å; F418-P461 WeakPolarHBondContact O-CA 3.47Å; F418-Q462 HydrophobicContact CB-CB 4.21Å; F418-Q462 HydrophobicContact CD1-CB 4.15Å; F418-Q462 VanDerWaalsContact CD1-OE1 3.28Å; F418-Q462 PolarHBondContact N-O 2.91Å; F418-Q462 PolarHBondContact O-N 2.68Å; F418-L464 HydrophobicContact CB-CD1 3.71Å |
| 419 | I | 97.6 | Very high | 91 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.3 | 175.9 | -58.5 | 158.3 | 0 | 0 | 0 | 106.3 | F374 R376 E386 P461 | F374-I419 WeakPolarHBondContact CA-O 3.44Å; F374-I419 HydrophobicContact CB-CB 4.37Å; F374-I419 PolarHBondContact N-O 2.83Å; F374-I419 PolarHBondContact O-N 3.2Å; F374-I419 VanDerWaalsContact O-O 3.07Å; R376-I419 HydrophobicContact CG-CD1 4.18Å; E386-I419 HydrophobicContact CG-CD1 4.3Å; I419-P461 HydrophobicContact CD1-CB 4.39Å; I419-P461 HydrophobicContact CG1-CB 3.89Å |
| 420 | W | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143 | 168.9 | 76.7 | -77.5 | 0 | 0 | 0 | 109.9 | T369 T372 F418 K422 N430 L432 M456 G457 P458 N459 | T369-W420 HydrophobicContact CG2-CE3 4.13Å; T369-W420 HydrophobicContact CG2-CH2 3.63Å; T369-W420 HydrophobicContact CG2-CZ3 3.3Å; T372-W420 CarbonylContact O-C 3.2Å; T372-W420 VanDerWaalsContact O-CA 3.31Å; T372-W420 WeakPolarHBondContact O-CA 3.48Å; F418-W420 HydrophobicContact CE1-CB 4.13Å; F418-W420 AromaticContact CE1-CD1 3.85Å; F418-W420 HydrophobicContact CE1-CG 4.32Å; F418-W420 HydrophobicContact CZ-CB 3.94Å; F418-W420 HydrophobicContact CZ-CG 4.44Å; W420-K422 HydrophobicContact CE3-CB 4.43Å; W420-K422 HydrophobicContact CH2-CB 4.11Å; W420-K422 HydrophobicContact CZ3-CB 3.61Å; W420-N430 HydrophobicContact CH2-CB 4.27Å; W420-N430 VanDerWaalsContact CZ2-O 3.3Å; W420-N430 WeakPolarHBondContact CZ2-O 3.27Å; W420-L432 HydrophobicContact CB-CD2 4.22Å; W420-L432 HydrophobicContact CD2-CB 4.03Å; W420-L432 HydrophobicContact CD2-CD2 4.35Å; W420-L432 HydrophobicContact CG-CB 3.99Å; W420-L432 HydrophobicContact CG-CD2 4.14Å; W420-L432 HydrophobicContact CZ2-CB 4.49Å; W420-M456 PolarHBondContact NE1-O 3.3Å; W420-G457 PolarHBondContact NE1-O 2.98Å; W420-P458 HydrophobicContact CD2-CB 4.46Å; W420-P458 HydrophobicContact CH2-CB 3.86Å; W420-P458 HydrophobicContact CH2-CG 4.28Å; W420-P458 HydrophobicContact CZ2-CB 3.74Å; W420-P458 HydrophobicContact CZ2-CG 4.14Å; W420-P458 HydrophobicContact CZ3-CB 4.26Å; W420-N459 PolarHBondContact O-N 3.38Å |
| 421 | K | 96.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 177.6 | -53.8 | -170.3 | -174.5 | 171 | 0 | 108.2 | G371 T372 F374 E386 N459 | G371-K421 CarbonylContact C-O 3.55Å; G371-K421 WeakPolarHBondContact CA-O 3.13Å; T372-K421 PolarHBondContact N-O 2.96Å; T372-K421 PolarHBondContact O-N 3.23Å; F374-K421 HydrophobicContact CD2-CD 4.2Å; F374-K421 HydrophobicContact CD2-CG 3.95Å; F374-K421 HydrophobicContact CE2-CB 4.07Å; F374-K421 HydrophobicContact CE2-CD 3.61Å; F374-K421 HydrophobicContact CE2-CG 3.62Å; F374-K421 HydrophobicContact CZ-CD 4.19Å; E386-K421 IonicContact OE1-NZ 3.51Å; E386-K421 WeakPolarHBondContact OE2-CE 3.25Å; E386-K421 IonicContact OE2-NZ 2.71Å; E386-K421 PolarHBondContact OE2-NZ 2.71Å; K421-N459 WeakPolarHBondContact CG-OD1 3.44Å |
| 422 | K | 94.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 63 Ų | 63 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 149.2 | 180 | 70 | 168 | -174.1 | 163.1 | 0 | 111.7 | W420 E426 P458 | W420-K422 HydrophobicContact CE3-CB 4.43Å; W420-K422 HydrophobicContact CH2-CB 4.11Å; W420-K422 HydrophobicContact CZ3-CB 3.61Å; K422-E426 HydrophobicContact CB-CB 3.97Å; K422-E426 HydrophobicContact CB-CG 3.98Å; K422-E426 HydrophobicContact CD-CB 4.38Å; K422-E426 WeakPolarHBondContact CD-O 3.29Å; K422-E426 PolarHBondContact NZ-O 3.27Å; K422-P458 HydrophobicContact CB-CB 4.19Å; K422-P458 HydrophobicContact CD-CB 4.49Å; K422-P458 HydrophobicContact CD-CG 4.32Å; K422-P458 HydrophobicContact CG-CB 4.17Å |
| 423 | H | 94.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 171 | 169.2 | -72.4 | -178.2 | 0 | 0 | 0 | 111.2 | Q370 T372 S391 E426 | Q370-H423 HydrophobicContact CB-CB 4.24Å; Q370-H423 PolarHBondContact O-N 3.48Å; T372-H423 PolarHBondContact OG1-NE2 3.18Å; S391-H423 PolarHBondContact OG-CE1 3.2Å; S391-H423 PolarHBondContact OG-NE2 2.93Å; H423-E426 WeakPolarHBondContact O-CB 3.24Å; H423-E426 PolarHBondContact O-N 3.43Å |
| 424 | L | 83.2 | Confident | 92.1 | Very high | 157 Ų | 157 | 56.2 Ų | 56.2 | 82% | 0.822 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 139.7 | 174.1 | -73.1 | 161.5 | 0 | 0 | 0 | 109.6 | E426 | L424-E426 PolarHBondContact O-N 3.47Š|
| 425 | F | 80.9 | Confident | 92.4 | Very high | 213 Ų | 213 | 55 Ų | 55 | 93% | 0.934 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 1.5 | -178.2 | -46.9 | -75.5 | 0 | 0 | 0 | 117.1 | ||
| 426 | E | 88.9 | Confident | 92.7 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | trans | -77.2 | 144.2 | 173.5 | -176.5 | 59.9 | -122.3 | 0 | 0 | 112.2 | T369 Q370 K422 H423 L424 S428 N430 | T369-E426 HydrophobicContact CG2-CG 3.66Å; Q370-E426 WeakPolarHBondContact CA-OE2 3.42Å; Q370-E426 VanDerWaalsContact CB-OE2 3.29Å; Q370-E426 WeakPolarHBondContact CB-OE2 3.22Å; Q370-E426 PolarHBondContact N-OE2 3.28Å; Q370-E426 WeakPolarHBondContact O-CG 3.49Å; K422-E426 HydrophobicContact CB-CB 3.97Å; K422-E426 HydrophobicContact CB-CG 3.98Å; K422-E426 HydrophobicContact CD-CB 4.38Å; K422-E426 WeakPolarHBondContact CD-O 3.29Å; K422-E426 PolarHBondContact NZ-O 3.27Å; H423-E426 WeakPolarHBondContact O-CB 3.24Å; H423-E426 PolarHBondContact O-N 3.43Å; L424-E426 PolarHBondContact O-N 3.47Å; E426-S428 PolarHBondContact O-N 2.79Å; E426-N430 PolarHBondContact OE1-ND2 3.32Å | ||
| 427 | D | 83.5 | Confident | 92.7 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | trans | -65.6 | 123.1 | -177.1 | -173.9 | -4.8 | 0 | 0 | 0 | 110.8 | Q429 N430 | D427-Q429 PolarHBondContact O-N 3.19Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.31Å; D427-Q429 PolarHBondContact OD1-N 3.49Å; D427-N430 PolarHBondContact O-N 2.91Å | ||
| 428 | S | 81.1 | Confident | 92.7 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.1 | 175.3 | 38.8 | 0 | 0 | 0 | 0 | 114.1 | E426 | E426-S428 PolarHBondContact O-N 2.79Š|
| 429 | Q | 87.1 | Confident | 92.6 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.5 | 179.5 | -61.4 | -60.9 | -28.7 | 0 | 0 | 113 | D427 | D427-Q429 PolarHBondContact O-N 3.19Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.31Å; D427-Q429 PolarHBondContact OD1-N 3.49Å |
| 430 | N | 90.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | trans | -61.8 | 143.4 | 174.6 | -78.3 | -13.8 | 0 | 0 | 0 | 110.1 | K367 T369 W420 E426 D427 | K367-N430 WeakPolarHBondContact CD-OD1 3.41Å; T369-N430 HydrophobicContact CG2-CB 4.24Å; W420-N430 HydrophobicContact CH2-CB 4.27Å; W420-N430 VanDerWaalsContact CZ2-O 3.3Å; W420-N430 WeakPolarHBondContact CZ2-O 3.27Å; E426-N430 PolarHBondContact OE1-ND2 3.32Å; D427-N430 PolarHBondContact O-N 2.91Å | ||
| 431 | K | 94.1 | Very high | 92.4 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | trans | -128.5 | 135.3 | 179 | -65.5 | -175.9 | -176.6 | 179.9 | 0 | 109.2 | I455 M456 | K431-I455 HydrophobicContact CB-CB 4.1Å; K431-I455 HydrophobicContact CB-CD1 3.91Å; K431-I455 HydrophobicContact CB-CG1 3.98Å; K431-I455 HydrophobicContact CD-CD1 4.34Å; K431-I455 HydrophobicContact CD-CG1 4.25Å; K431-M456 VanDerWaalsContact CA-O 3.31Å; K431-M456 WeakPolarHBondContact CA-O 3.4Å | ||
| 432 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.4 | -179.9 | -161.8 | 73.5 | 0 | 0 | 0 | 108.5 | L363 R364 V373 L394 P396 F418 W420 M456 | L363-L432 HydrophobicContact CB-CD1 4.42Å; L363-L432 HydrophobicContact CD1-CD1 4.39Å; L363-L432 HydrophobicContact CD1-CD2 4.08Å; L363-L432 HydrophobicContact CD2-CD2 4.2Å; L363-L432 HydrophobicContact CD2-CG 4.46Å; R364-L432 CarbonylContact O-C 3.56Å; R364-L432 WeakPolarHBondContact O-CA 3.48Å; R364-L432 WeakPolarHBondContact O-CD1 3.35Å; V373-L432 HydrophobicContact CG2-CD2 4.46Å; L394-L432 HydrophobicContact CB-CD2 4.18Å; L394-L432 HydrophobicContact CD1-CD2 3.73Å; P396-L432 HydrophobicContact CG-CD1 4.23Å; F418-L432 HydrophobicContact CZ-CD2 4.02Å; F418-L432 HydrophobicContact CZ-CG 4.18Å; W420-L432 HydrophobicContact CB-CD2 4.22Å; W420-L432 HydrophobicContact CD2-CB 4.03Å; W420-L432 HydrophobicContact CD2-CD2 4.35Å; W420-L432 HydrophobicContact CG-CB 3.99Å; W420-L432 HydrophobicContact CG-CD2 4.14Å; W420-L432 HydrophobicContact CZ2-CB 4.49Å; L432-M456 PolarHBondContact N-O 3.02Å; L432-M456 PolarHBondContact O-N 3.17Å; L432-M456 VanDerWaalsContact O-O 3.1Å |
| 433 | G | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L363 R364 | L363-G433 CarbonylContact C-O 3.54Å; L363-G433 WeakPolarHBondContact CA-O 3.5Å; R364-G433 PolarHBondContact N-O 2.04Å; R364-G433 PolarHBondContact O-N 2.67Å |
| 434 | A | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | V361 K362 F418 M436 V437 Q462 L464 | V361-A434 HydrophobicContact CG2-CB 3.56Å; K362-A434 CarbonylContact O-C 3.13Å; K362-A434 WeakPolarHBondContact O-CA 3.45Å; F418-A434 HydrophobicContact CB-CB 3.86Å; F418-A434 HydrophobicContact CD1-CB 4.44Å; F418-A434 HydrophobicContact CD2-CB 3.64Å; F418-A434 HydrophobicContact CE2-CB 4.22Å; F418-A434 HydrophobicContact CG-CB 3.74Å; A434-M436 VanDerWaalsContact C-N 3.33Å; A434-V437 HydrophobicContact CB-CG2 3.9Å; A434-Q462 PolarHBondContact O-NE2 3.02Å; A434-L464 HydrophobicContact CB-CD1 4.3Å; A434-L464 HydrophobicContact CB-CD2 3.86Å |
| 435 | E | 97.2 | Very high | 92.5 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -43.7 | 169 | -175.2 | -170.9 | 144.6 | 0 | 0 | 109.9 | K362 R364 C451 S452 | K362-E435 WeakPolarHBondContact CD-OE2 3.34Å; K362-E435 WeakPolarHBondContact CE-OE2 3.36Å; K362-E435 IonicContact NZ-OE1 2.79Å; K362-E435 PolarHBondContact NZ-OE1 2.96Å; K362-E435 IonicContact NZ-OE2 3.94Å; K362-E435 PolarHBondContact NZ-OE2 2.92Å; K362-E435 PolarHBondContact O-N 2.71Å; R364-E435 HydrophobicContact CB-CB 4.13Å; E435-C451 WeakPolarHBondContact O-CA 3.41Å; E435-S452 WeakPolarHBondContact CA-O 3.44Å; E435-S452 PolarHBondContact O-N 3.44Å |
| 436 | M | 97.5 | Very high | 93 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136 | -174.5 | -173.7 | -179.5 | -65.6 | 0 | 0 | 110 | V361 K362 A434 I438 T449 F450 | V361-M436 WeakPolarHBondContact CA-O 3.08Å; K362-M436 HydrophobicContact CB-CB 4.24Å; K362-M436 PolarHBondContact N-O 2.87Å; A434-M436 VanDerWaalsContact C-N 3.33Å; M436-I438 HydrophobicContact CG-CG1 4.14Å; M436-I438 HydrophobicContact SD-CD1 3.96Å; M436-I438 HydrophobicContact SD-CG1 4.03Å; M436-T449 HydrophobicContact CE-CG2 4.39Å; M436-T449 HydrophobicContact CG-CG2 3.68Å; M436-T449 HydrophobicContact SD-CG2 3.78Å; M436-F450 CarbonylContact C-O 3.59Å; M436-F450 VanDerWaalsContact CA-O 3.3Å; M436-F450 WeakPolarHBondContact CA-O 3.18Å |
| 437 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.7 | 166 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | S360 V361 L375 V416 A434 T449 F450 L464 | S360-V437 CarbonylContact O-C 3.44Å; S360-V437 VanDerWaalsContact O-CA 3.28Å; S360-V437 WeakPolarHBondContact O-CA 3.35Å; V361-V437 HydrophobicContact CB-CG2 4.22Å; V361-V437 HydrophobicContact CG2-CG2 3.93Å; L375-V437 HydrophobicContact CD1-CG1 3.87Å; L375-V437 HydrophobicContact CD1-CG2 4.45Å; L375-V437 HydrophobicContact CD2-CG2 3.95Å; V416-V437 HydrophobicContact CG1-CB 4.25Å; V416-V437 HydrophobicContact CG1-CG1 4.03Å; V416-V437 HydrophobicContact CG1-CG2 4.19Å; V416-V437 HydrophobicContact CG2-CG1 4.48Å; A434-V437 HydrophobicContact CB-CG2 3.9Å; V437-T449 CarbonylContact O-C 3.54Å; V437-T449 WeakPolarHBondContact O-CA 3.37Å; V437-F450 PolarHBondContact N-O 3.22Å; V437-F450 PolarHBondContact O-N 3.11Å; V437-L464 HydrophobicContact CB-CD2 4.17Å; V437-L464 HydrophobicContact CG2-CD1 4.41Å; V437-L464 HydrophobicContact CG2-CD2 3.69Å |
| 438 | I | 97.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.6 | 173.4 | -55.5 | 173.4 | 0 | 0 | 0 | 107.9 | L359 S360 M436 S448 T449 | L359-I438 WeakPolarHBondContact CA-O 3.34Å; S360-I438 PolarHBondContact N-O 3.5Å; S360-I438 PolarHBondContact O-N 2.78Å; M436-I438 HydrophobicContact CG-CG1 4.14Å; M436-I438 HydrophobicContact SD-CD1 3.96Å; M436-I438 HydrophobicContact SD-CG1 4.03Å; I438-S448 WeakPolarHBondContact CA-O 3.34Å; I438-T449 HydrophobicContact CG1-CG2 4.08Å |
| 439 | N | 95.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.8 | 163.8 | 168 | 77.9 | 0 | 0 | 0 | 109.6 | H357 R358 L359 I413 K447 S448 | H357-N439 WeakPolarHBondContact CB-OD1 3.27Å; H357-N439 PolarHBondContact ND1-OD1 2.85Å; R358-N439 CarbonylContact O-C 3.53Å; R358-N439 WeakPolarHBondContact O-CA 3.36Å; L359-N439 HydrophobicContact CD2-CB 3.71Å; L359-N439 WeakPolarHBondContact CD2-OD1 3.06Å; I413-N439 HydrophobicContact CD1-CB 3.61Å; I413-N439 WeakPolarHBondContact CD1-ND2 3.11Å; N439-K447 CarbonylContact O-C 3.51Å; N439-K447 VanDerWaalsContact O-CA 3.27Å; N439-K447 WeakPolarHBondContact O-CA 3.02Å; N439-S448 PolarHBondContact N-O 3.29Å; N439-S448 PolarHBondContact O-N 3.43Å |
| 440 | T | 95.7 | Very high | 95 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.9 | 164.9 | -47.7 | 0 | 0 | 0 | 0 | 109.4 | F313 F314 H357 R358 Y446 K447 | F313-T440 HydrophobicContact CE1-CG2 3.79Å; F313-T440 HydrophobicContact CZ-CG2 4.14Å; F313-T440 WeakPolarHBondContact CZ-O 3.23Å; F314-T440 HydrophobicContact CD1-CG2 4.3Å; H357-T440 WeakPolarHBondContact CA-O 2.78Å; R358-T440 PolarHBondContact N-O 3.32Å; R358-T440 PolarHBondContact O-N 2.98Å; T440-Y446 CarbonylContact C-O 3.5Å; T440-Y446 WeakPolarHBondContact CA-O 3.37Å; T440-K447 HydrophobicContact CG2-CG 4.08Å |
| 441 | S | 94.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.8 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | K443 Y444 G445 Y446 | S441-K443 PolarHBondContact OG-N 3.49Å; S441-Y444 PolarHBondContact OG-N 3.27Å; S441-G445 WeakPolarHBondContact O-CA 2.93Å; S441-G445 PolarHBondContact O-N 3.22Å; S441-Y446 PolarHBondContact N-O 3.07Å |
| 442 | G | 94.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -33.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y299 F314 C315 R356 | Y299-G442 WeakPolarHBondContact CE1-O 3.31Å; Y299-G442 VanDerWaalsContact OH-CA 3.25Å; Y299-G442 WeakPolarHBondContact OH-CA 3.42Å; Y299-G442 PolarHBondContact OH-O 3.01Å; F314-G442 WeakPolarHBondContact CB-O 3.35Å; C315-G442 PolarHBondContact N-O 2.98Å; C315-G442 PolarHBondContact SG-O 3.44Å; C315-G442 VanDerWaalsContact SG-O 3.38Å; R356-G442 VanDerWaalsContact O-CA 3.31Å; R356-G442 WeakPolarHBondContact O-CA 3.32Å; R356-G442 PolarHBondContact O-N 2.61Å |
| 443 | K | 92.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 27% | 0.265 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -43.9 | -179.1 | -174.8 | 179.5 | 175.3 | -167 | 0 | 111.6 | D294 I297 C315 S441 | D294-K443 IonicContact OD1-NZ 2.7Å; D294-K443 PolarHBondContact OD1-NZ 2.77Å; I297-K443 HydrophobicContact CD1-CD 3.83Å; I297-K443 HydrophobicContact CD1-CG 4.18Å; I297-K443 HydrophobicContact CG1-CB 4.39Å; I297-K443 HydrophobicContact CG1-CD 3.98Å; I297-K443 HydrophobicContact CG1-CG 4.13Å; C315-K443 WeakPolarHBondContact CB-O 3.1Å; S441-K443 PolarHBondContact OG-N 3.49Å |
| 444 | Y | 91.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 49.3 Ų | 49.3 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -14.9 | -170 | -55 | -62.5 | 0 | 0 | 0 | 114.4 | S441 Y446 | S441-Y444 PolarHBondContact OG-N 3.27Å; Y444-Y446 VanDerWaalsContact CB-CE2 3.41Å; Y444-Y446 HydrophobicContact CD1-CE2 4.21Å; Y444-Y446 HydrophobicContact CD2-CD2 4.04Å; Y444-Y446 HydrophobicContact CD2-CE2 4.04Å; Y444-Y446 AromaticContact CG-CD2 3.89Å; Y444-Y446 HydrophobicContact CG-CD2 3.89Å; Y444-Y446 AromaticContact CG-CE2 3.64Å; Y444-Y446 HydrophobicContact CG-CE2 3.64Å; Y444-Y446 PolarHBondContact O-N 3.37Å; Y444-Y446 VanDerWaalsContact O-N 3.17Å |
| 445 | G | 91.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | trans | 70.2 | 2.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F314 S441 K447 | F314-G445 VanDerWaalsContact CG-CA 3.41Å; S441-G445 WeakPolarHBondContact O-CA 2.93Å; S441-G445 PolarHBondContact O-N 3.22Å; G445-K447 PolarHBondContact O-N 3.01Å | ||
| 446 | Y | 91.7 | Very high | 95 | Very high | 149 Ų | 149 | 52.2 Ų | 52.2 | 58% | 0.584 | 26% | 0.257 | S | S | * | . | trans | -62.7 | 134.5 | 179.3 | -59.3 | -25.6 | 0 | 0 | 0 | 111.3 | T440 S441 Y444 | T440-Y446 CarbonylContact C-O 3.5Å; T440-Y446 WeakPolarHBondContact CA-O 3.37Å; S441-Y446 PolarHBondContact N-O 3.07Å; Y444-Y446 VanDerWaalsContact CB-CE2 3.41Å; Y444-Y446 HydrophobicContact CD1-CE2 4.21Å; Y444-Y446 HydrophobicContact CD2-CD2 4.04Å; Y444-Y446 HydrophobicContact CD2-CE2 4.04Å; Y444-Y446 AromaticContact CG-CD2 3.89Å; Y444-Y446 HydrophobicContact CG-CD2 3.89Å; Y444-Y446 AromaticContact CG-CE2 3.64Å; Y444-Y446 HydrophobicContact CG-CE2 3.64Å; Y444-Y446 PolarHBondContact O-N 3.37Å; Y444-Y446 VanDerWaalsContact O-N 3.17Å | ||
| 447 | K | 94.3 | Very high | 94.9 | Very high | 152 Ų | 152 | 50 Ų | 50 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.9 | 177.7 | -65.3 | -177.1 | -178.7 | 177.4 | 0 | 110 | N439 T440 G445 | N439-K447 CarbonylContact O-C 3.51Å; N439-K447 VanDerWaalsContact O-CA 3.27Å; N439-K447 WeakPolarHBondContact O-CA 3.02Å; T440-K447 HydrophobicContact CG2-CG 4.08Å; G445-K447 PolarHBondContact O-N 3.01Å |
| 448 | S | 94.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.3 | 172.7 | -51.3 | 0 | 0 | 0 | 0 | 108.2 | I438 N439 | I438-S448 WeakPolarHBondContact CA-O 3.34Å; N439-S448 PolarHBondContact N-O 3.29Å; N439-S448 PolarHBondContact O-N 3.43Å |
| 449 | T | 97 | Very high | 94.5 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.1 | -175 | -48.5 | 0 | 0 | 0 | 0 | 109.4 | M436 V437 I438 P466 C467 | M436-T449 HydrophobicContact CE-CG2 4.39Å; M436-T449 HydrophobicContact CG-CG2 3.68Å; M436-T449 HydrophobicContact SD-CG2 3.78Å; V437-T449 CarbonylContact O-C 3.54Å; V437-T449 WeakPolarHBondContact O-CA 3.37Å; I438-T449 HydrophobicContact CG1-CG2 4.08Å; T449-P466 WeakPolarHBondContact O-CA 3Å; T449-C467 VanDerWaalsContact C-SG 3.53Å; T449-C467 HydrophobicContact CG2-CB 4.4Å; T449-C467 WeakPolarHBondContact CG2-SG 3.03Å; T449-C467 PolarHBondContact O-N 3.29Å; T449-C467 VanDerWaalsContact O-N 3.09Å; T449-C467 PolarHBondContact O-SG 3.17Å |
| 450 | F | 97.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.8 | 179.2 | -61.5 | -96.7 | 0 | 0 | 0 | 109.7 | I413 V416 M436 V437 L464 K465 P466 | I413-F450 HydrophobicContact CB-CE2 4.28Å; I413-F450 HydrophobicContact CB-CZ 4.09Å; I413-F450 HydrophobicContact CG2-CE1 4.4Å; I413-F450 HydrophobicContact CG2-CE2 3.6Å; I413-F450 HydrophobicContact CG2-CZ 3.44Å; I413-F450 VanDerWaalsContact CG2-CZ 3.44Å; V416-F450 HydrophobicContact CB-CB 4.46Å; V416-F450 HydrophobicContact CB-CD2 4.5Å; V416-F450 HydrophobicContact CB-CG 4.29Å; V416-F450 HydrophobicContact CG2-CB 4.39Å; V416-F450 HydrophobicContact CG2-CD1 4.29Å; V416-F450 HydrophobicContact CG2-CD2 3.59Å; V416-F450 HydrophobicContact CG2-CE2 3.9Å; V416-F450 HydrophobicContact CG2-CG 3.83Å; V416-F450 HydrophobicContact CG2-CZ 4.42Å; M436-F450 CarbonylContact C-O 3.59Å; M436-F450 VanDerWaalsContact CA-O 3.3Å; M436-F450 WeakPolarHBondContact CA-O 3.18Å; V437-F450 PolarHBondContact N-O 3.22Å; V437-F450 PolarHBondContact O-N 3.11Å; F450-L464 HydrophobicContact CB-CB 3.68Å; F450-L464 HydrophobicContact CB-CD2 4.35Å; F450-K465 CarbonylContact C-O 3.42Å; F450-K465 WeakPolarHBondContact CA-O 3.48Å; F450-P466 HydrophobicContact CD1-CG 4.24Å; F450-P466 HydrophobicContact CE1-CG 3.87Å |
| 451 | C | 96.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152.9 | -174.3 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | E435 K465 C467 | E435-C451 WeakPolarHBondContact O-CA 3.41Å; C451-K465 PolarHBondContact N-O 3.12Å; C451-K465 PolarHBondContact O-N 3.06Å; C451-C467 HydrophobicContact CB-CB 3.91Å; C451-C467 WeakPolarHBondContact CB-SG 3.46Å; C451-C467 PolarHBondContact N-SG 3.3Å; C451-C467 WeakPolarHBondContact SG-CB 3.32Å; C451-C467 CovalentContact SG-SG 2.03Å; C451-C467 PolarHBondContact SG-SG 2.98Å |
| 452 | S | 95.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | trans | -157.9 | 154.9 | 167.1 | 167.9 | 0 | 0 | 0 | 0 | 109.2 | E435 D454 Q462 | E435-S452 WeakPolarHBondContact CA-O 3.44Å; E435-S452 PolarHBondContact O-N 3.44Å; S452-D454 PolarHBondContact OG-N 3.38Å; S452-D454 VanDerWaalsContact OG-N 3.11Å; S452-D454 PolarHBondContact OG-OD2 3.18Å; S452-Q462 PolarHBondContact OG-NE2 3.45Å | ||
| 453 | Q | 93.9 | Very high | 94.8 | Very high | 118 Ų | 118 | 63.3 Ų | 63.3 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | trans | -102.1 | -6 | 175.6 | -59.2 | -65.2 | -58.2 | 0 | 0 | 112 | R364 | R364-Q453 WeakPolarHBondContact CD-O 3.38Å; R364-Q453 PolarHBondContact NE-O 2.99Å; R364-Q453 VanDerWaalsContact NE-O 3.13Å | ||
| 454 | D | 95.1 | Very high | 95 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -74.3 | 154 | -174.1 | -54.6 | -40.4 | 0 | 0 | 0 | 111.7 | S452 M456 Q462 | S452-D454 PolarHBondContact OG-N 3.38Å; S452-D454 VanDerWaalsContact OG-N 3.11Å; S452-D454 PolarHBondContact OG-OD2 3.18Å; D454-M456 HydrophobicContact CB-CE 3.91Å; D454-Q462 HydrophobicContact CB-CG 4.35Å; D454-Q462 PolarHBondContact O-NE2 2.9Å | ||
| 455 | I | 95.6 | Very high | 95 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | trans | -128.2 | 133.8 | 169.5 | 58.4 | 177.6 | 0 | 0 | 0 | 108.4 | R364 K431 | R364-I455 HydrophobicContact CB-CG2 4.25Å; R364-I455 HydrophobicContact CG-CG2 4.02Å; K431-I455 HydrophobicContact CB-CB 4.1Å; K431-I455 HydrophobicContact CB-CD1 3.91Å; K431-I455 HydrophobicContact CB-CG1 3.98Å; K431-I455 HydrophobicContact CD-CD1 4.34Å; K431-I455 HydrophobicContact CD-CG1 4.25Å | ||
| 456 | M | 95.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -115 | 150 | -172.8 | -62.3 | -57.6 | -179.2 | 0 | 0 | 110.9 | W420 K431 L432 D454 I460 Q462 | W420-M456 PolarHBondContact NE1-O 3.3Å; K431-M456 VanDerWaalsContact CA-O 3.31Å; K431-M456 WeakPolarHBondContact CA-O 3.4Å; L432-M456 PolarHBondContact N-O 3.02Å; L432-M456 PolarHBondContact O-N 3.17Å; L432-M456 VanDerWaalsContact O-O 3.1Å; D454-M456 HydrophobicContact CB-CE 3.91Å; M456-I460 HydrophobicContact CB-CB 4.12Å; M456-I460 HydrophobicContact CB-CG2 4.18Å; M456-I460 HydrophobicContact CG-CG2 4.27Å; M456-I460 HydrophobicContact SD-CG2 4.04Å; M456-Q462 HydrophobicContact CE-CB 4.28Å; M456-Q462 HydrophobicContact CE-CG 4.24Å; M456-Q462 HydrophobicContact CG-CB 3.64Å; M456-Q462 HydrophobicContact CG-CG 4.23Å |
| 457 | G | 93.8 | Very high | 95 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | trans | -65.6 | 170.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W420 I460 | W420-G457 PolarHBondContact NE1-O 2.98Å; G457-I460 PolarHBondContact O-N 3.22Å | ||
| 458 | P | 93.8 | Very high | 94 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 16% | 0.156 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 143 | -179.2 | 26.7 | -33.4 | 0 | 0 | 0 | 111.2 | W420 K422 I460 | W420-P458 HydrophobicContact CD2-CB 4.46Å; W420-P458 HydrophobicContact CH2-CB 3.86Å; W420-P458 HydrophobicContact CH2-CG 4.28Å; W420-P458 HydrophobicContact CZ2-CB 3.74Å; W420-P458 HydrophobicContact CZ2-CG 4.14Å; W420-P458 HydrophobicContact CZ3-CB 4.26Å; K422-P458 HydrophobicContact CB-CB 4.19Å; K422-P458 HydrophobicContact CD-CB 4.49Å; K422-P458 HydrophobicContact CD-CG 4.32Å; K422-P458 HydrophobicContact CG-CB 4.17Å; P458-I460 PolarHBondContact O-N 2.92Å |
| 459 | N | 94.5 | Very high | 93.9 | Very high | 98 Ų | 98 | 67.7 Ų | 67.7 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 7.1 | -177.3 | -52.7 | -73.3 | 0 | 0 | 0 | 115.8 | W420 K421 | W420-N459 PolarHBondContact O-N 3.38Å; K421-N459 WeakPolarHBondContact CG-OD1 3.44Å |
| 460 | I | 95.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 68.4 Ų | 68.4 | 44% | 0.441 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 121.8 | 175.5 | -60.3 | 174.1 | 0 | 0 | 0 | 108.9 | M456 G457 P458 Q462 | M456-I460 HydrophobicContact CB-CB 4.12Å; M456-I460 HydrophobicContact CB-CG2 4.18Å; M456-I460 HydrophobicContact CG-CG2 4.27Å; M456-I460 HydrophobicContact SD-CG2 4.04Å; G457-I460 PolarHBondContact O-N 3.22Å; P458-I460 PolarHBondContact O-N 2.92Å; I460-Q462 PolarHBondContact O-N 3.4Å |
| 461 | P | 96.4 | Very high | 93.6 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -72 | 129.2 | 180 | 28 | -32.7 | 0 | 0 | 0 | 111.6 | F418 I419 | F418-P461 WeakPolarHBondContact O-CA 3.47Å; I419-P461 HydrophobicContact CD1-CB 4.39Å; I419-P461 HydrophobicContact CG1-CB 3.89Å |
| 462 | Q | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.5 | 167.5 | -176.4 | -168.7 | 4.1 | 0 | 0 | 109.2 | Q417 F418 A434 S452 D454 M456 I460 | Q417-Q462 CarbonylContact C-O 3.53Å; Q417-Q462 VanDerWaalsContact CA-O 3.26Å; Q417-Q462 WeakPolarHBondContact CA-O 3.42Å; F418-Q462 HydrophobicContact CB-CB 4.21Å; F418-Q462 HydrophobicContact CD1-CB 4.15Å; F418-Q462 VanDerWaalsContact CD1-OE1 3.28Å; F418-Q462 PolarHBondContact N-O 2.91Å; F418-Q462 PolarHBondContact O-N 2.68Å; A434-Q462 PolarHBondContact O-NE2 3.02Å; S452-Q462 PolarHBondContact OG-NE2 3.45Å; D454-Q462 HydrophobicContact CB-CG 4.35Å; D454-Q462 PolarHBondContact O-NE2 2.9Å; M456-Q462 HydrophobicContact CE-CB 4.28Å; M456-Q462 HydrophobicContact CE-CG 4.24Å; M456-Q462 HydrophobicContact CG-CB 3.64Å; M456-Q462 HydrophobicContact CG-CG 4.23Å; I460-Q462 PolarHBondContact O-N 3.4Å |
| 463 | N | 96.5 | Very high | 93.2 | Very high | 99 Ų | 99 | 77.8 Ų | 77.8 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.2 | 173.6 | -63.4 | -45.7 | 0 | 0 | 0 | 109.8 | Q417 | Q417-N463 WeakPolarHBondContact CG-OD1 3.4Å; Q417-N463 PolarHBondContact NE2-OD1 3.48Å |
| 464 | L | 96.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.016 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.3 | 171.7 | -60.8 | 89.7 | 0 | 0 | 0 | 109.9 | V416 F418 A434 V437 F450 | V416-L464 HydrophobicContact CB-CB 4.49Å; V416-L464 HydrophobicContact CG1-CD1 4.28Å; V416-L464 PolarHBondContact O-N 2.89Å; F418-L464 HydrophobicContact CB-CD1 3.71Å; A434-L464 HydrophobicContact CB-CD1 4.3Å; A434-L464 HydrophobicContact CB-CD2 3.86Å; V437-L464 HydrophobicContact CB-CD2 4.17Å; V437-L464 HydrophobicContact CG2-CD1 4.41Å; V437-L464 HydrophobicContact CG2-CD2 3.69Å; F450-L464 HydrophobicContact CB-CB 3.68Å; F450-L464 HydrophobicContact CB-CD2 4.35Å |
| 465 | K | 90.8 | Very high | 93.1 | Very high | 160 Ų | 160 | 74.4 Ų | 74.4 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 158.5 | 175.9 | -66.5 | -176.5 | -179 | 179.1 | 0 | 109.7 | F450 C451 C467 | F450-K465 CarbonylContact C-O 3.42Å; F450-K465 WeakPolarHBondContact CA-O 3.48Å; C451-K465 PolarHBondContact N-O 3.12Å; C451-K465 PolarHBondContact O-N 3.06Å; K465-C467 PolarHBondContact O-N 3.33Å |
| 466 | P | 93.6 | Very high | 92.9 | Very high | 83 Ų | 83 | 75.2 Ų | 75.2 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.5 | 132.1 | 169.6 | -27.2 | 35.2 | 0 | 0 | 0 | 110.3 | T449 F450 | T449-P466 WeakPolarHBondContact O-CA 3Å; F450-P466 HydrophobicContact CD1-CG 4.24Å; F450-P466 HydrophobicContact CE1-CG 3.87Å |
| 467 | C | 91.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 77.6 Ų | 77.6 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | trans | -62.3 | 140.1 | 176.8 | -51 | 0 | 0 | 0 | 0 | 109.2 | T449 C451 K465 | T449-C467 VanDerWaalsContact C-SG 3.53Å; T449-C467 HydrophobicContact CG2-CB 4.4Å; T449-C467 WeakPolarHBondContact CG2-SG 3.03Å; T449-C467 PolarHBondContact O-N 3.29Å; T449-C467 VanDerWaalsContact O-N 3.09Å; T449-C467 PolarHBondContact O-SG 3.17Å; C451-C467 HydrophobicContact CB-CB 3.91Å; C451-C467 WeakPolarHBondContact CB-SG 3.46Å; C451-C467 PolarHBondContact N-SG 3.3Å; C451-C467 WeakPolarHBondContact SG-CB 3.32Å; C451-C467 CovalentContact SG-SG 2.03Å; C451-C467 PolarHBondContact SG-SG 2.98Å; K465-C467 PolarHBondContact O-N 3.33Å | ||
| 468 | Q | 71.9 | Confident | 92.6 | Very high | 264 Ų | 264 | 83.5 Ų | 83.5 | 100% | 1.234 | 44% | 0.437 | S | S | * | . | trans | -80.6 | 0 | 172.4 | -71 | -175.6 | -13.7 | 0 | 0 | 111.3 |
Retrieved 468 of 468 residues in 102.1 ms
(Link to these results)