| 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 | 42.8 | Very low | 81.3 | Confident | 241 Ų | 241 | 85.9 Ų | 85.9 | 100% | 1.187 | 45% | 0.445 | S | S | * | . | 0 | 117.4 | 0 | -162.6 | 163.9 | -170.6 | 0 | 0 | 105.8 | M3 | M1-M3 PolarHBondContact O-N 3.15Š| |||
| 2 | M | 60.6 | Low | 79.2 | Confident | 176 Ų | 176 | 89.3 Ų | 89.3 | 87% | 0.867 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 131.2 | 178.5 | -64 | 178.5 | -154.4 | 0 | 0 | 108.2 | ||
| 3 | M | 78.4 | Confident | 76.7 | Confident | 124 Ų | 124 | 90.2 Ų | 90.2 | 61% | 0.611 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -67 | 138.9 | 173.3 | -71.4 | -173.5 | 63.6 | 0 | 0 | 108.7 | M1 P5 G105 | M1-M3 PolarHBondContact O-N 3.15Å; M3-P5 WeakPolarHBondContact O-CD 3.49Å; M3-G105 PolarHBondContact O-N 3.48Å |
| 4 | Q | 88.1 | Confident | 74 | Confident | 123 Ų | 123 | 89.5 Ų | 89.5 | 58% | 0.575 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 126.5 | 178.7 | -168.6 | 173.6 | 13.8 | 0 | 0 | 109.1 | R6 I163 | Q4-R6 PolarHBondContact O-N 3.28Å; Q4-I163 HydrophobicContact CG-CG2 3.68Å |
| 5 | P | 93.6 | Very high | 71.8 | Confident | 31 Ų | 31 | 92.9 Ų | 92.9 | 20% | 0.201 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -58 | 137 | -178.8 | -19.1 | 28 | 0 | 0 | 0 | 111.3 | M3 A104 G105 V107 I134 N164 | M3-P5 WeakPolarHBondContact O-CD 3.49Å; P5-A104 HydrophobicContact CG-CB 4.09Å; P5-G105 CarbonylContact C-O 3.58Å; P5-G105 VanDerWaalsContact CA-O 3.27Å; P5-G105 WeakPolarHBondContact CA-O 3.48Å; P5-V107 HydrophobicContact CB-CG1 3.45Å; P5-V107 VanDerWaalsContact CB-CG1 3.45Å; P5-I134 HydrophobicContact CB-CD1 3.64Å; P5-I134 HydrophobicContact CG-CD1 3.75Å; P5-N164 HydrophobicContact CB-CB 3.92Å; P5-N164 WeakPolarHBondContact O-CB 3.37Å; P5-N164 PolarHBondContact O-N 3.41Å |
| 6 | R | 95.3 | Very high | 69.9 | Low | 91 Ų | 91 | 102 Ų | 102 | 34% | 0.343 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 165.2 | -170.4 | 62.2 | 178.8 | -63.4 | 162.2 | 5.3 | 112.2 | Q4 G105 I106 V107 P162 | Q4-R6 PolarHBondContact O-N 3.28Å; R6-G105 WeakPolarHBondContact CG-O 3.28Å; R6-G105 PolarHBondContact N-O 3.34Å; R6-I106 WeakPolarHBondContact O-CA 3.41Å; R6-V107 PolarHBondContact O-N 3.48Å; R6-P162 VanDerWaalsContact CA-O 3.31Å; R6-P162 WeakPolarHBondContact CA-O 3.42Å; R6-P162 VanDerWaalsContact CB-O 3.29Å; R6-P162 WeakPolarHBondContact CB-O 3.49Å |
| 7 | C | 96.1 | Very high | 68.4 | Low | 5 Ų | 5 | 106.5 Ų | 106.5 | 3% | 0.034 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 142.3 | 168.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | N9 H142 E143 H146 P162 | C7-N9 VanDerWaalsContact C-N 3.35Å; C7-N9 PolarHBondContact SG-N 2.91Å; C7-H142 WeakPolarHBondContact CB-NE2 3.12Å; C7-E143 WeakPolarHBondContact CB-OE1 3.36Å; C7-E143 PolarHBondContact SG-OE1 3.17Å; C7-H146 PolarHBondContact SG-NE2 3.38Å; C7-P162 PolarHBondContact N-O 3.36Å |
| 8 | G | 94.3 | Very high | 67.2 | Low | 17 Ų | 17 | 115 Ų | 115 | 18% | 0.175 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -77 | -13.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A108 | G8-A108 PolarHBondContact N-O 3.09Š|
| 9 | N | 91.1 | Very high | 66.2 | Low | 9 Ų | 9 | 116.3 Ų | 116.3 | 5% | 0.048 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -67.2 | 139.6 | 179.1 | -79.7 | -26.3 | 0 | 0 | 0 | 112.1 | C7 S11 G110 H146 H152 | C7-N9 VanDerWaalsContact C-N 3.35Å; C7-N9 PolarHBondContact SG-N 2.91Å; N9-S11 PolarHBondContact O-N 3.11Å; N9-G110 PolarHBondContact ND2-O 3.33Å; N9-H146 PolarHBondContact ND2-CD2 3.16Å; N9-H146 PolarHBondContact ND2-NE2 3.32Å; N9-H152 PolarHBondContact O-CE1 2.87Å; N9-H152 VanDerWaalsContact O-CE1 3.26Å |
| 10 | P | 83.6 | Confident | 65.9 | Low | 73 Ų | 73 | 118.7 Ų | 118.7 | 47% | 0.474 | 57% | 0.568 | S | S | . | * | trans | -64.5 | 135.7 | 176.2 | 26.5 | -33.6 | 0 | 0 | 0 | 110.5 | F12 | P10-F12 HydrophobicContact CG-CE2 3.91Å; P10-F12 HydrophobicContact CG-CZ 3.82Å; P10-F12 PolarHBondContact O-N 3.16Å | ||
| 11 | S | 70.1 | Confident | 65.6 | Low | 55 Ų | 55 | 115.3 Ų | 115.3 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | trans | -81.3 | 103.7 | 171.4 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | N9 S13 H152 | N9-S11 PolarHBondContact O-N 3.11Å; S11-S13 PolarHBondContact O-N 3.39Å; S11-H152 PolarHBondContact OG-ND1 2.97Å; S11-H152 VanDerWaalsContact OG-ND1 3.15Å | ||
| 12 | F | 56.9 | Low | 66.4 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | trans | -72.9 | 78.1 | 174.9 | -65.1 | -75.5 | 0 | 0 | 0 | 110.6 | P10 S14 | P10-F12 HydrophobicContact CG-CE2 3.91Å; P10-F12 HydrophobicContact CG-CZ 3.82Å; P10-F12 PolarHBondContact O-N 3.16Å; F12-S14 PolarHBondContact O-N 2.92Å | ||
| 13 | S | 45.7 | Very low | 66.5 | Low | 100 Ų | 100 | 99.6 Ų | 99.6 | 70% | 0.699 | 48% | 0.479 | S | S | * | . | trans | -75.4 | 80.2 | 170.3 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | S11 V15 | S11-S13 PolarHBondContact O-N 3.39Å; S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3Å | ||
| 14 | S | 39.4 | Very low | 66.1 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 57% | 0.566 | 47% | 0.466 | S | S | * | . | trans | -66.4 | 102.8 | 157.5 | 68.4 | 0 | 0 | 0 | 0 | 106.9 | F12 R16 R17 | F12-S14 PolarHBondContact O-N 2.92Å; S14-R16 PolarHBondContact O-N 3.15Å; S14-R17 PolarHBondContact O-N 3.46Å | ||
| 15 | V | 41.1 | Very low | 65.4 | Low | 141 Ų | 141 | 94.2 Ų | 94.2 | 86% | 0.855 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 0.4 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 114.2 | S13 | S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3Å |
| 16 | R | 41.8 | Very low | 64.9 | Low | 238 Ų | 238 | 94.3 Ų | 94.3 | 90% | 0.898 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 6.5 | -173.3 | -77.1 | -173.5 | 157.4 | -169.8 | -5.7 | 116.5 | S14 | S14-R16 PolarHBondContact O-N 3.15Š|
| 17 | R | 43.5 | Very low | 64.5 | Low | 178 Ų | 178 | 91.1 Ų | 91.1 | 67% | 0.672 | 46% | 0.46 | S | S | * | . | trans | -135.5 | 97.8 | 177.6 | -69.3 | -173.7 | -167.9 | 157.7 | 6.4 | 113.6 | S14 K19 | S14-R17 PolarHBondContact O-N 3.46Å; R17-K19 PolarHBondContact O-N 3.24Å | ||
| 18 | R | 47.8 | Very low | 64.4 | Low | 260 Ų | 260 | 91.7 Ų | 91.7 | 98% | 0.981 | 46% | 0.462 | S | S | * | . | trans | -65.8 | 51 | 158.2 | -77.1 | -179.5 | 161.5 | 177.3 | -4.8 | 111.7 | ||||
| 19 | K | 47.8 | Very low | 64.2 | Low | 139 Ų | 139 | 96 Ų | 96 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | trans | -84.6 | 134.5 | 168.3 | -78.6 | -168.6 | 175.4 | -174.5 | 0 | 108.2 | R17 F21 | R17-K19 PolarHBondContact O-N 3.24Å; K19-F21 VanDerWaalsContact C-N 3.31Å; K19-F21 PolarHBondContact O-N 3.22Å | ||
| 20 | R | 60 | Low | 64.2 | Low | 164 Ų | 164 | 102 Ų | 102 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -63.9 | -37.3 | -166 | -149.9 | 154.5 | 173.8 | 180 | 1 | 111.6 | D176 | R20-D176 VanDerWaalsContact C-CG 3.48Å; R20-D176 WeakPolarHBondContact CB-OD1 3.38Å; R20-D176 WeakPolarHBondContact CG-OD1 3.46Å |
| 21 | F | 60.5 | Low | 64.7 | Low | 49 Ų | 49 | 101.8 Ų | 101.8 | 22% | 0.215 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -125.3 | 155.8 | 166.3 | 56.5 | -85.8 | 0 | 0 | 0 | 109.2 | K19 D176 R179 Y183 | K19-F21 VanDerWaalsContact C-N 3.31Å; K19-F21 PolarHBondContact O-N 3.22Å; F21-D176 PolarHBondContact N-OD1 3.03Å; F21-R179 HydrophobicContact CD1-CB 4.2Å; F21-R179 HydrophobicContact CE1-CB 4.12Å; F21-Y183 AromaticContact CE2-CD1 3.78Å; F21-Y183 HydrophobicContact CE2-CD1 3.78Å; F21-Y183 HydrophobicContact CE2-CD2 4.32Å; F21-Y183 HydrophobicContact CE2-CE1 4.48Å; F21-Y183 AromaticContact CE2-CG 3.68Å; F21-Y183 HydrophobicContact CE2-CG 3.68Å; F21-Y183 HydrophobicContact CZ-CD1 4.43Å; F21-Y183 HydrophobicContact CZ-CD2 4.17Å; F21-Y183 AromaticContact CZ-CG 3.89Å; F21-Y183 HydrophobicContact CZ-CG 3.89Å |
| 22 | V | 59.8 | Low | 65.9 | Low | 50 Ų | 50 | 107.2 Ų | 107.2 | 30% | 0.303 | 51% | 0.508 | S | S | . | . | trans | -121.8 | 109.8 | 175.5 | -165.3 | 0 | 0 | 0 | 0 | 109.9 | E151 | V22-E151 HydrophobicContact CB-CB 4.11Å; V22-E151 HydrophobicContact CB-CG 4.44Å; V22-E151 WeakPolarHBondContact CB-OE2 3.14Å; V22-E151 HydrophobicContact CG1-CG 4.46Å; V22-E151 WeakPolarHBondContact CG1-OE2 3.49Å; V22-E151 VanDerWaalsContact O-CB 3.27Å; V22-E151 WeakPolarHBondContact O-CB 3.47Å; V22-E151 WeakPolarHBondContact O-CG 3.16Å; V22-E151 PolarHBondContact O-N 2.99Å | ||
| 23 | P | 61.9 | Low | 67.7 | Low | 36 Ų | 36 | 101.2 Ų | 101.2 | 23% | 0.234 | 48% | 0.481 | C | S | . | . | B | Isolated β-bridge | trans | -76.3 | 132.1 | 170.3 | 30.2 | -29.9 | 0 | 0 | 0 | 109 | G25 Y183 M184 | P23-G25 PolarHBondContact O-N 3.14Å; P23-G25 VanDerWaalsContact O-N 3.16Å; P23-Y183 HydrophobicContact CB-CD1 4.47Å; P23-Y183 HydrophobicContact CB-CE1 4.4Å; P23-Y183 HydrophobicContact CG-CD1 4.22Å; P23-Y183 HydrophobicContact CG-CE1 3.86Å; P23-M184 HydrophobicContact CB-CE 4.34Å; P23-M184 HydrophobicContact CB-CG 4.32Å; P23-M184 HydrophobicContact CB-SD 3.43Å; P23-M184 WeakPolarHBondContact CB-SD 3.41Å |
| 24 | H | 70.8 | Confident | 70.2 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | trans | -61.8 | -24.5 | 176.6 | -169.9 | 64.5 | 0 | 0 | 0 | 112.3 | Y112 G149 E151 | H24-Y112 HydrophobicContact CB-CD1 3.64Å; H24-Y112 HydrophobicContact CB-CE1 3.75Å; H24-Y112 HydrophobicContact CB-CG 4.14Å; H24-Y112 AromaticContact CD2-CD1 3.97Å; H24-Y112 AromaticContact CD2-CD2 3.83Å; H24-Y112 AromaticContact CD2-CG 3.54Å; H24-Y112 AromaticContact CE1-CD2 3.84Å; H24-Y112 AromaticContact CG-CD1 3.71Å; H24-Y112 AromaticContact CG-CD2 3.94Å; H24-Y112 AromaticContact CG-CE1 3.93Å; H24-Y112 AromaticContact CG-CG 3.7Å; H24-Y112 AromaticContact ND1-CD2 3.95Å; H24-Y112 AromaticContact ND1-CE2 3.88Å; H24-Y112 AromaticContact NE2-CD2 3.79Å; H24-Y112 AromaticContact NE2-CG 3.98Å; H24-G149 PolarHBondContact N-O 2.68Å; H24-E151 WeakPolarHBondContact CA-OE1 3.35Å; H24-E151 HydrophobicContact CB-CG 3.85Å; H24-E151 IonicContact CG-OE1 3.84Å; H24-E151 IonicContact ND1-OE1 3.53Å; H24-E151 PolarHBondContact ND1-OE1 2.93Å | ||
| 25 | G | 72.5 | Confident | 72.9 | Confident | 61 Ų | 61 | 94 Ų | 94 | 63% | 0.629 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 98.5 | -24.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | P23 | P23-G25 PolarHBondContact O-N 3.14Å; P23-G25 VanDerWaalsContact O-N 3.16Å |
| 26 | A | 82.4 | Confident | 75.5 | Confident | 33 Ų | 33 | 89.2 Ų | 89.2 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | trans | -77.5 | 138.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | P113 M184 | A26-P113 HydrophobicContact CB-CB 4.35Å; A26-P113 WeakPolarHBondContact CB-O 3.15Å; A26-M184 VanDerWaalsContact O-CE 3.28Å; A26-M184 WeakPolarHBondContact O-CE 3.41Å | ||
| 27 | K | 88.5 | Confident | 78.1 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | trans | -146.3 | 153.8 | 179 | 71.6 | 177.4 | -173.1 | 173.8 | 0 | 110.9 | L29 M184 Y185 | K27-L29 PolarHBondContact O-N 3.29Å; K27-M184 HydrophobicContact CB-CE 3.8Å; K27-Y185 HydrophobicContact CB-CE1 4.22Å | ||
| 28 | W | 93.5 | Very high | 80.5 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | trans | -68.4 | 131.8 | 167.5 | -63.5 | 101.2 | 0 | 0 | 0 | 110.6 | L33 N84 I85 P113 T114 L147 Y185 | W28-L33 HydrophobicContact CB-CD1 4.1Å; W28-L33 HydrophobicContact CB-CD2 3.95Å; W28-L33 VanDerWaalsContact CD1-CD1 3.45Å; W28-L33 HydrophobicContact CD2-CD1 4.08Å; W28-L33 HydrophobicContact CD2-CD2 3.65Å; W28-L33 HydrophobicContact CE3-CD2 3.79Å; W28-L33 HydrophobicContact CG-CD1 3.6Å; W28-L33 HydrophobicContact CG-CD2 3.72Å; W28-L33 HydrophobicContact CG-CG 4.31Å; W28-N84 HydrophobicContact CH2-CB 4.21Å; W28-N84 WeakPolarHBondContact CH2-O 3.29Å; W28-N84 HydrophobicContact CZ3-CB 4.17Å; W28-I85 HydrophobicContact CZ2-CG1 4.26Å; W28-P113 HydrophobicContact CD2-CB 4.18Å; W28-P113 HydrophobicContact CG-CB 4.25Å; W28-P113 HydrophobicContact CG-CG 4.43Å; W28-P113 HydrophobicContact CZ2-CB 4.45Å; W28-T114 HydrophobicContact CE3-CG2 3.97Å; W28-T114 HydrophobicContact CZ3-CG2 3.99Å; W28-L147 PolarHBondContact NE1-O 3.08Å; W28-Y185 HydrophobicContact CB-CE1 4.33Å; W28-Y185 PolarHBondContact N-OH 2.76Å | ||
| 29 | L | 90.4 | Very high | 82.8 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -80.9 | -24.5 | 171.3 | -61.7 | -177.7 | 0 | 0 | 0 | 112.1 | K27 W190 Y193 | K27-L29 PolarHBondContact O-N 3.29Å; L29-W190 HydrophobicContact CB-CH2 4.02Å; L29-W190 HydrophobicContact CD2-CH2 3.81Å; L29-W190 HydrophobicContact CD2-CZ3 4.37Å; L29-W190 WeakPolarHBondContact O-CH2 3.38Å; L29-W190 VanDerWaalsContact O-CZ2 3.29Å; L29-W190 WeakPolarHBondContact O-CZ2 3.26Å; L29-Y193 HydrophobicContact CD2-CE1 4.42Å |
| 30 | K | 91.3 | Very high | 85 | Confident | 135 Ų | 135 | 57.5 Ų | 57.5 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | trans | -82.3 | 147.6 | 174.4 | -63.7 | -177.2 | 179.7 | -179.5 | 0 | 110.1 | L33 | K30-L33 HydrophobicContact CB-CD2 4.27Š| ||
| 31 | R | 92.7 | Very high | 86.6 | Confident | 69 Ų | 69 | 54 Ų | 54 | 26% | 0.26 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -94.6 | -24.2 | 174.5 | -56.8 | -47.3 | -155.4 | 108.2 | 8 | 113.4 | A70 L71 Q72 Y185 W190 | R31-A70 WeakPolarHBondContact CB-O 3.39Å; R31-A70 WeakPolarHBondContact CD-O 3Å; R31-A70 VanDerWaalsContact NH1-CB 3.35Å; R31-A70 PolarHBondContact NH1-O 3.22Å; R31-L71 CarbonylContact O-C 3.5Å; R31-L71 WeakPolarHBondContact O-CA 3.49Å; R31-Q72 PolarHBondContact O-N 2.98Å; R31-Y185 VanDerWaalsContact CZ-O 3.29Å; R31-Y185 PolarHBondContact NH1-O 3.45Å; R31-Y185 PolarHBondContact NH2-O 2.85Å; R31-Y185 VanDerWaalsContact NH2-O 3.13Å; R31-W190 VanDerWaalsContact NH2-CG 3.3Å |
| 32 | R | 95.3 | Very high | 88.3 | Confident | 169 Ų | 169 | 58.3 Ų | 58.3 | 64% | 0.638 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.2 | 174.2 | -64.2 | -179.3 | -178.4 | -76.1 | -4.2 | 107.3 | Q72 | R32-Q72 CarbonylContact C-O 3.58Å; R32-Q72 WeakPolarHBondContact CA-O 3.15Å; R32-Q72 HydrophobicContact CG-CB 4.35Å |
| 33 | L | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.1 | -179.8 | -62 | 175.1 | 0 | 0 | 0 | 109.2 | W28 K30 L71 Q72 F73 S74 N84 I85 L148 | W28-L33 HydrophobicContact CB-CD1 4.1Å; W28-L33 HydrophobicContact CB-CD2 3.95Å; W28-L33 VanDerWaalsContact CD1-CD1 3.45Å; W28-L33 HydrophobicContact CD2-CD1 4.08Å; W28-L33 HydrophobicContact CD2-CD2 3.65Å; W28-L33 HydrophobicContact CE3-CD2 3.79Å; W28-L33 HydrophobicContact CG-CD1 3.6Å; W28-L33 HydrophobicContact CG-CD2 3.72Å; W28-L33 HydrophobicContact CG-CG 4.31Å; K30-L33 HydrophobicContact CB-CD2 4.27Å; L33-L71 HydrophobicContact CD1-CD2 4.25Å; L33-Q72 PolarHBondContact N-O 3.45Å; L33-F73 HydrophobicContact CB-CD1 3.92Å; L33-F73 HydrophobicContact CB-CE1 4.11Å; L33-F73 HydrophobicContact CD1-CD1 4.48Å; L33-F73 HydrophobicContact CD1-CE1 3.82Å; L33-F73 HydrophobicContact CG-CE1 4.49Å; L33-F73 VanDerWaalsContact O-CA 3.31Å; L33-F73 WeakPolarHBondContact O-CA 3.34Å; L33-S74 PolarHBondContact O-N 3.28Å; L33-N84 WeakPolarHBondContact CA-OD1 3.49Å; L33-N84 HydrophobicContact CB-CB 4.45Å; L33-N84 HydrophobicContact CD2-CB 4.07Å; L33-I85 HydrophobicContact CB-CD1 4.43Å; L33-I85 HydrophobicContact CD1-CD1 4.43Å; L33-L148 HydrophobicContact CD1-CD2 4.14Å |
| 34 | T | 96.6 | Very high | 91.7 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 139 | 171.9 | 50.1 | 0 | 0 | 0 | 0 | 110.2 | S74 H76 A83 N84 I85 | T34-S74 VanDerWaalsContact CA-O 3.31Å; T34-S74 WeakPolarHBondContact CA-O 3.43Å; T34-H76 HydrophobicContact CG2-CB 4.26Å; T34-A83 WeakPolarHBondContact OG1-CA 3.23Å; T34-N84 PolarHBondContact N-OD1 2.95Å; T34-N84 WeakPolarHBondContact O-CA 3.48Å; T34-N84 WeakPolarHBondContact O-CB 3.36Å; T34-N84 PolarHBondContact O-N 3.33Å; T34-N84 PolarHBondContact OG1-N 2.85Å; T34-N84 VanDerWaalsContact OG1-N 3.08Å; T34-N84 PolarHBondContact OG1-OD1 2.86Å; T34-I85 PolarHBondContact O-N 3Å |
| 35 | W | 97.2 | Very high | 93 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 155.5 | 171.9 | 67.3 | -90.1 | 0 | 0 | 0 | 110.7 | L37 R53 L56 H57 F60 S74 E75 H76 I85 I87 | W35-L37 HydrophobicContact CZ3-CB 4.2Å; W35-R53 HydrophobicContact CH2-CB 4.44Å; W35-R53 HydrophobicContact CH2-CG 4.3Å; W35-L56 HydrophobicContact CE3-CD1 4.24Å; W35-L56 HydrophobicContact CH2-CB 3.85Å; W35-L56 HydrophobicContact CH2-CD1 4.26Å; W35-L56 HydrophobicContact CZ2-CB 4.21Å; W35-L56 HydrophobicContact CZ3-CB 4.07Å; W35-L56 HydrophobicContact CZ3-CD1 3.71Å; W35-H57 AromaticContact CH2-CD2 3.93Å; W35-H57 AromaticContact CH2-NE2 3.83Å; W35-H57 AromaticContact CZ2-CD2 3.62Å; W35-H57 AromaticContact CZ2-CE1 3.51Å; W35-H57 AromaticContact CZ2-CG 3.79Å; W35-H57 AromaticContact CZ2-ND1 3.74Å; W35-H57 AromaticContact CZ2-NE2 3.42Å; W35-H57 WeakPolarHBondContact CZ2-NE2 3.41Å; W35-F60 HydrophobicContact CB-CE2 3.78Å; W35-F60 HydrophobicContact CB-CZ 3.79Å; W35-F60 AromaticContact CD1-CD2 3.6Å; W35-F60 AromaticContact CD1-CE2 3.56Å; W35-F60 AromaticContact CD2-CD2 3.98Å; W35-F60 HydrophobicContact CD2-CD2 3.98Å; W35-F60 AromaticContact CD2-CE2 3.56Å; W35-F60 HydrophobicContact CD2-CE2 3.56Å; W35-F60 HydrophobicContact CD2-CZ 4.47Å; W35-F60 AromaticContact CE2-CD2 3.75Å; W35-F60 AromaticContact CE2-CE2 3.84Å; W35-F60 HydrophobicContact CE3-CE2 4.21Å; W35-F60 AromaticContact CG-CD2 3.86Å; W35-F60 HydrophobicContact CG-CD2 3.86Å; W35-F60 AromaticContact CG-CE2 3.35Å; W35-F60 HydrophobicContact CG-CE2 3.35Å; W35-F60 AromaticContact CG-CZ 3.87Å; W35-F60 HydrophobicContact CG-CZ 3.87Å; W35-F60 HydrophobicContact CZ2-CD2 4.39Å; W35-F60 AromaticContact NE1-CD2 3.51Å; W35-F60 AromaticContact NE1-CE2 3.83Å; W35-S74 PolarHBondContact N-O 3.01Å; W35-E75 HydrophobicContact CD2-CB 4.24Å; W35-E75 HydrophobicContact CD2-CG 4.3Å; W35-E75 HydrophobicContact CE3-CG 4.2Å; W35-E75 HydrophobicContact CH2-CB 4.04Å; W35-E75 HydrophobicContact CH2-CG 3.79Å; W35-E75 WeakPolarHBondContact CH2-OE2 3.47Å; W35-E75 HydrophobicContact CZ2-CB 3.63Å; W35-E75 HydrophobicContact CZ2-CG 3.93Å; W35-E75 HydrophobicContact CZ3-CG 3.93Å; W35-E75 CarbonylContact O-C 3.55Å; W35-E75 WeakPolarHBondContact O-CA 3.32Å; W35-H76 PolarHBondContact O-N 3.15Å; W35-I85 CarbonylContact C-O 3.53Å; W35-I85 VanDerWaalsContact CA-O 3.24Å; W35-I85 WeakPolarHBondContact CA-O 3.18Å; W35-I85 HydrophobicContact CB-CB 3.91Å; W35-I85 HydrophobicContact CB-CG2 4.1Å; W35-I87 HydrophobicContact CB-CD1 4.43Å; W35-I87 HydrophobicContact CE3-CD1 4.06Å |
| 36 | R | 95.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 15% | 0.151 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.5 | 176.2 | -173 | 170.6 | 68.9 | -173.2 | 11.2 | 110.3 | D38 H76 A79 S81 A83 I85 I87 | R36-D38 VanDerWaalsContact CD-OD1 3.26Å; R36-D38 WeakPolarHBondContact CD-OD1 3.11Å; R36-D38 WeakPolarHBondContact CG-OD1 3.44Å; R36-D38 IonicContact CZ-OD1 2.75Å; R36-D38 IonicContact CZ-OD2 3.11Å; R36-D38 VanDerWaalsContact NE-CG 3.28Å; R36-D38 IonicContact NE-OD1 3.93Å; R36-D38 PolarHBondContact NE-OD1 2.83Å; R36-D38 IonicContact NE-OD2 3.56Å; R36-D38 PolarHBondContact NE-OD2 2.83Å; R36-D38 VanDerWaalsContact NE-OD2 3.11Å; R36-D38 IonicContact NH2-OD1 3.73Å; R36-D38 IonicContact NH2-OD2 3.44Å; R36-D38 PolarHBondContact NH2-OD2 3.47Å; R36-H76 WeakPolarHBondContact CD-O 3.26Å; R36-H76 WeakPolarHBondContact CG-O 3.38Å; R36-A79 PolarHBondContact NH1-O 3.33Å; R36-S81 PolarHBondContact NH1-O 3Å; R36-S81 VanDerWaalsContact NH1-O 3.08Å; R36-A83 HydrophobicContact CB-CB 3.83Å; R36-I85 PolarHBondContact N-O 3.15Å; R36-I87 WeakPolarHBondContact O-CB 3.26Å; R36-I87 PolarHBondContact O-N 3.44Å |
| 37 | L | 96.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 103.9 | 166.1 | 178.5 | 67.1 | 0 | 0 | 0 | 108.5 | W35 L44 K49 V52 R53 L56 I87 | W35-L37 HydrophobicContact CZ3-CB 4.2Å; L37-L44 HydrophobicContact CD1-CD1 4.36Å; L37-L44 HydrophobicContact CD2-CD1 4.35Å; L37-K49 HydrophobicContact CD2-CB 4.46Å; L37-K49 HydrophobicContact CD2-CG 4.45Å; L37-V52 HydrophobicContact CD1-CG1 3.75Å; L37-V52 HydrophobicContact CD2-CB 3.91Å; L37-V52 HydrophobicContact CD2-CG1 3.61Å; L37-V52 HydrophobicContact CG-CG1 4.32Å; L37-R53 HydrophobicContact CB-CG 4.44Å; L37-R53 HydrophobicContact CD2-CG 3.88Å; L37-L56 HydrophobicContact CD1-CD1 4.39Å; L37-I87 CarbonylContact C-O 3.58Å; L37-I87 WeakPolarHBondContact CA-O 3.31Å; L37-I87 HydrophobicContact CD1-CG2 4.26Å |
| 38 | D | 93.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 72.9 Ų | 72.9 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | trans | -91.2 | 162.3 | 171 | -75.7 | -19.3 | 0 | 0 | 0 | 110.3 | R36 N86 I87 F88 | R36-D38 VanDerWaalsContact CD-OD1 3.26Å; R36-D38 WeakPolarHBondContact CD-OD1 3.11Å; R36-D38 WeakPolarHBondContact CG-OD1 3.44Å; R36-D38 IonicContact CZ-OD1 2.75Å; R36-D38 IonicContact CZ-OD2 3.11Å; R36-D38 VanDerWaalsContact NE-CG 3.28Å; R36-D38 IonicContact NE-OD1 3.93Å; R36-D38 PolarHBondContact NE-OD1 2.83Å; R36-D38 IonicContact NE-OD2 3.56Å; R36-D38 PolarHBondContact NE-OD2 2.83Å; R36-D38 VanDerWaalsContact NE-OD2 3.11Å; R36-D38 IonicContact NH2-OD1 3.73Å; R36-D38 IonicContact NH2-OD2 3.44Å; R36-D38 PolarHBondContact NH2-OD2 3.47Å; D38-N86 VanDerWaalsContact CG-OD1 3.28Å; D38-N86 PolarHBondContact OD2-OD1 3.38Å; D38-I87 PolarHBondContact N-O 3.2Å; D38-F88 HydrophobicContact CB-CB 4.46Å; D38-F88 WeakPolarHBondContact O-CB 3.41Å | ||
| 39 | D | 94.9 | Very high | 95.3 | Very high | 24 Ų | 24 | 74.7 Ų | 74.7 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | trans | -141.8 | 62.9 | 176.1 | -174.7 | 23.1 | 0 | 0 | 0 | 110.4 | H41 N42 L43 L44 K49 | D39-H41 PolarHBondContact O-N 3.29Å; D39-H41 VanDerWaalsContact O-N 3.16Å; D39-N42 PolarHBondContact O-N 3.49Å; D39-N42 WeakPolarHBondContact OD1-CA 3.02Å; D39-N42 PolarHBondContact OD1-N 3.39Å; D39-N42 WeakPolarHBondContact OD2-CA 3.45Å; D39-L43 PolarHBondContact OD1-N 2.91Å; D39-L44 PolarHBondContact OD2-N 3.44Å; D39-K49 WeakPolarHBondContact OD2-CE 3.23Å; D39-K49 IonicContact OD2-NZ 2.73Å; D39-K49 PolarHBondContact OD2-NZ 2.98Å | ||
| 40 | P | 94 | Very high | 95.6 | Very high | 77 Ų | 77 | 72 Ų | 72 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.4 | -173.9 | 28.5 | -34.1 | 0 | 0 | 0 | 112.9 | F88 | P40-F88 HydrophobicContact CG-CB 4.25Å; P40-F88 HydrophobicContact CG-CD2 3.91Å; P40-F88 HydrophobicContact CG-CE2 4.35Å; P40-F88 HydrophobicContact CG-CG 4.02Å |
| 41 | H | 95 | Very high | 95.9 | Very high | 92 Ų | 92 | 69.9 Ų | 69.9 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 3 | -177.9 | -56.6 | -61.6 | 0 | 0 | 0 | 113.3 | D39 L43 F88 F89 | D39-H41 PolarHBondContact O-N 3.29Å; D39-H41 VanDerWaalsContact O-N 3.16Å; H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 HydrophobicContact CB-CD1 3.56Å; H41-L43 HydrophobicContact CB-CG 3.7Å; H41-L43 PolarHBondContact O-N 2.94Å; H41-F88 AromaticContact NE2-CE2 3.8Å; H41-F89 PolarHBondContact CD2-O 2.91Å |
| 42 | N | 96.1 | Very high | 96.1 | Very high | 138 Ų | 138 | 66.9 Ų | 66.9 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | trans | 52.5 | 42.5 | -177.1 | -60.1 | -63 | 0 | 0 | 0 | 113.5 | D39 | D39-N42 PolarHBondContact O-N 3.49Å; D39-N42 WeakPolarHBondContact OD1-CA 3.02Å; D39-N42 PolarHBondContact OD1-N 3.39Å; D39-N42 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 43 | L | 97.1 | Very high | 96.2 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | trans | -91.8 | -15.4 | -174.9 | -68.2 | 169.2 | 0 | 0 | 0 | 112.9 | D39 H41 F89 R91 A122 | D39-L43 PolarHBondContact OD1-N 2.91Å; H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 HydrophobicContact CB-CD1 3.56Å; H41-L43 HydrophobicContact CB-CG 3.7Å; H41-L43 PolarHBondContact O-N 2.94Å; L43-F89 HydrophobicContact CD1-CB 4.42Å; L43-F89 WeakPolarHBondContact CD1-O 3.26Å; L43-R91 HydrophobicContact CD1-CG 4.39Å; L43-A122 HydrophobicContact CB-CB 4.44Å; L43-A122 HydrophobicContact CD1-CB 3.65Å; L43-A122 HydrophobicContact CG-CB 4.42Å | ||
| 44 | L | 96.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | trans | -114.5 | 125.8 | -177.5 | -58.1 | -179.5 | 0 | 0 | 0 | 111.7 | L37 D39 E48 K49 V52 F89 | L37-L44 HydrophobicContact CD1-CD1 4.36Å; L37-L44 HydrophobicContact CD2-CD1 4.35Å; D39-L44 PolarHBondContact OD2-N 3.44Å; L44-E48 HydrophobicContact CB-CB 4.26Å; L44-E48 HydrophobicContact CD2-CB 4.16Å; L44-K49 HydrophobicContact CB-CD 4.42Å; L44-K49 HydrophobicContact CB-CG 3.68Å; L44-K49 HydrophobicContact CD1-CG 4.16Å; L44-K49 WeakPolarHBondContact O-CE 3.35Å; L44-K49 PolarHBondContact O-NZ 3.27Å; L44-V52 HydrophobicContact CD1-CG2 4.24Å; L44-F89 HydrophobicContact CD1-CD2 3.6Å; L44-F89 HydrophobicContact CD1-CE2 3.87Å; L44-F89 HydrophobicContact CD1-CG 4.33Å; L44-F89 HydrophobicContact CD2-CD1 4.32Å; L44-F89 HydrophobicContact CD2-CD2 4.07Å; L44-F89 HydrophobicContact CD2-CE2 4.34Å; L44-F89 HydrophobicContact CD2-CG 4.06Å; L44-F89 HydrophobicContact CG-CD2 4.11Å; L44-F89 HydrophobicContact CG-CG 4.36Å | ||
| 45 | G | 96.4 | Very high | 96.4 | Very high | 35 Ų | 35 | 66.2 Ų | 66.2 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | trans | -70.1 | 172.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y47 E48 K49 | G45-Y47 VanDerWaalsContact C-N 3.28Å; G45-Y47 PolarHBondContact O-N 2.91Å; G45-E48 WeakPolarHBondContact CA-OE2 3.39Å; G45-E48 PolarHBondContact N-OE2 3.28Å; G45-E48 PolarHBondContact O-N 3.18Å; G45-K49 WeakPolarHBondContact O-CB 3.39Å; G45-K49 WeakPolarHBondContact O-CG 3.44Å; G45-K49 PolarHBondContact O-N 2.7Å | ||
| 46 | K | 95.6 | Very high | 96.5 | Very high | 185 Ų | 185 | 66.2 Ų | 66.2 | 80% | 0.804 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | -177.7 | -175.6 | 179.7 | 178.5 | -178.9 | 0 | 112.2 | A50 | K46-A50 PolarHBondContact O-N 2.87Å |
| 47 | Y | 96.3 | Very high | 96.6 | Very high | 191 Ų | 191 | 68.4 Ų | 68.4 | 75% | 0.749 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -72.2 | -43.5 | -178.9 | -64.3 | -78.1 | 0 | 0 | 0 | 111.2 | G45 K49 A50 I51 | G45-Y47 VanDerWaalsContact C-N 3.28Å; G45-Y47 PolarHBondContact O-N 2.91Å; Y47-K49 PolarHBondContact O-N 3.25Å; Y47-A50 WeakPolarHBondContact O-CB 3.44Å; Y47-A50 PolarHBondContact O-N 2.84Å; Y47-I51 WeakPolarHBondContact O-CG1 3.26Å; Y47-I51 PolarHBondContact O-N 3.21Å; Y47-I51 VanDerWaalsContact O-N 3.09Å |
| 48 | E | 96.5 | Very high | 96.6 | Very high | 96 Ų | 96 | 73.6 Ų | 73.6 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 176 | -64.1 | 79.9 | -179 | 0 | 0 | 110.6 | L44 G45 A50 I51 V52 | L44-E48 HydrophobicContact CB-CB 4.26Å; L44-E48 HydrophobicContact CD2-CB 4.16Å; G45-E48 WeakPolarHBondContact CA-OE2 3.39Å; G45-E48 PolarHBondContact N-OE2 3.28Å; G45-E48 PolarHBondContact O-N 3.18Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.46Å; E48-I51 PolarHBondContact O-N 3.46Å; E48-I51 VanDerWaalsContact O-N 3.15Å; E48-V52 WeakPolarHBondContact O-CB 3.38Å; E48-V52 VanDerWaalsContact O-CG2 3.26Å; E48-V52 WeakPolarHBondContact O-CG2 3.19Å; E48-V52 PolarHBondContact O-N 3.36Å |
| 49 | K | 96.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 71.8 Ų | 71.8 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.6 | -41 | 174.9 | -75.7 | 175.7 | -179.5 | 166 | 0 | 112.5 | L37 D39 L44 G45 Y47 R53 | L37-K49 HydrophobicContact CD2-CB 4.46Å; L37-K49 HydrophobicContact CD2-CG 4.45Å; D39-K49 WeakPolarHBondContact OD2-CE 3.23Å; D39-K49 IonicContact OD2-NZ 2.73Å; D39-K49 PolarHBondContact OD2-NZ 2.98Å; L44-K49 HydrophobicContact CB-CD 4.42Å; L44-K49 HydrophobicContact CB-CG 3.68Å; L44-K49 HydrophobicContact CD1-CG 4.16Å; L44-K49 WeakPolarHBondContact O-CE 3.35Å; L44-K49 PolarHBondContact O-NZ 3.27Å; G45-K49 WeakPolarHBondContact O-CB 3.39Å; G45-K49 WeakPolarHBondContact O-CG 3.44Å; G45-K49 PolarHBondContact O-N 2.7Å; Y47-K49 PolarHBondContact O-N 3.25Å; K49-R53 WeakPolarHBondContact O-CB 3.48Å; K49-R53 VanDerWaalsContact O-CG 3.28Å; K49-R53 WeakPolarHBondContact O-CG 3.33Å; K49-R53 PolarHBondContact O-N 3.41Å |
| 50 | A | 96.9 | Very high | 97 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K46 Y47 E48 R53 T54 | K46-A50 PolarHBondContact O-N 2.87Å; Y47-A50 WeakPolarHBondContact O-CB 3.44Å; Y47-A50 PolarHBondContact O-N 2.84Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.46Å; A50-R53 PolarHBondContact O-N 3.14Å; A50-T54 PolarHBondContact O-N 3.39Å; A50-T54 PolarHBondContact O-OG1 2.86Å |
| 51 | I | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 71 Ų | 71 | 46% | 0.456 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.3 | -68.7 | 169.7 | 0 | 0 | 0 | 111.1 | Y47 E48 T54 T55 L128 | Y47-I51 WeakPolarHBondContact O-CG1 3.26Å; Y47-I51 PolarHBondContact O-N 3.21Å; Y47-I51 VanDerWaalsContact O-N 3.09Å; E48-I51 PolarHBondContact O-N 3.46Å; E48-I51 VanDerWaalsContact O-N 3.15Å; I51-T54 PolarHBondContact O-N 2.9Å; I51-T55 WeakPolarHBondContact O-CB 3.27Å; I51-T55 PolarHBondContact O-N 3.48Å; I51-T55 PolarHBondContact O-OG1 3.14Å; I51-L128 HydrophobicContact CG2-CD1 3.48Å; I51-L128 VanDerWaalsContact CG2-CD1 3.48Å; I51-L128 HydrophobicContact CG2-CG 4.45Å |
| 52 | V | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | L37 L44 E48 T54 T55 L56 F89 L136 | L37-V52 HydrophobicContact CD1-CG1 3.75Å; L37-V52 HydrophobicContact CD2-CB 3.91Å; L37-V52 HydrophobicContact CD2-CG1 3.61Å; L37-V52 HydrophobicContact CG-CG1 4.32Å; L44-V52 HydrophobicContact CD1-CG2 4.24Å; E48-V52 WeakPolarHBondContact O-CB 3.38Å; E48-V52 VanDerWaalsContact O-CG2 3.26Å; E48-V52 WeakPolarHBondContact O-CG2 3.19Å; E48-V52 PolarHBondContact O-N 3.36Å; V52-T54 PolarHBondContact O-N 3.42Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.33Å; V52-T55 VanDerWaalsContact O-N 3.15Å; V52-L56 HydrophobicContact CG1-CD1 3.71Å; V52-L56 HydrophobicContact CG1-CG 4.21Å; V52-L56 VanDerWaalsContact O-CG 3.32Å; V52-L56 WeakPolarHBondContact O-CG 3.06Å; V52-L56 PolarHBondContact O-N 3.46Å; V52-F89 HydrophobicContact CG1-CE2 3.89Å; V52-F89 HydrophobicContact CG1-CZ 4.42Å; V52-F89 HydrophobicContact CG2-CE2 3.9Å; V52-F89 HydrophobicContact CG2-CZ 3.9Å; V52-L136 HydrophobicContact CB-CD2 4.45Å; V52-L136 HydrophobicContact CG2-CD2 3.89Å |
| 53 | R | 97.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 28% | 0.275 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.5 | -50.1 | 177 | -78.5 | 179.4 | 170.5 | 105.9 | 6.7 | 112.4 | W35 L37 K49 A50 T55 L56 H57 E75 | W35-R53 HydrophobicContact CH2-CB 4.44Å; W35-R53 HydrophobicContact CH2-CG 4.3Å; L37-R53 HydrophobicContact CB-CG 4.44Å; L37-R53 HydrophobicContact CD2-CG 3.88Å; K49-R53 WeakPolarHBondContact O-CB 3.48Å; K49-R53 VanDerWaalsContact O-CG 3.28Å; K49-R53 WeakPolarHBondContact O-CG 3.33Å; K49-R53 PolarHBondContact O-N 3.41Å; A50-R53 PolarHBondContact O-N 3.14Å; R53-T55 PolarHBondContact O-N 3.4Å; R53-L56 PolarHBondContact O-N 2.92Å; R53-H57 PolarHBondContact O-CD2 3.11Å; R53-H57 PolarHBondContact O-N 3.05Å; R53-E75 WeakPolarHBondContact CD-OE1 3.39Å; R53-E75 WeakPolarHBondContact CG-OE1 3.5Å; R53-E75 IonicContact CZ-OE1 3.05Å; R53-E75 IonicContact NE-OE1 2.7Å; R53-E75 PolarHBondContact NE-OE1 2.92Å; R53-E75 IonicContact NH2-OE1 3.41Å |
| 54 | T | 97.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 60 Ų | 60 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | A50 I51 V52 R58 | A50-T54 PolarHBondContact O-N 3.39Å; A50-T54 PolarHBondContact O-OG1 2.86Å; I51-T54 PolarHBondContact O-N 2.9Å; V52-T54 PolarHBondContact O-N 3.42Å; T54-R58 PolarHBondContact O-N 3.26Å; T54-R58 VanDerWaalsContact O-N 3.14Å |
| 55 | T | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 178 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | I51 V52 R53 R58 A59 L128 L136 Y137 | I51-T55 WeakPolarHBondContact O-CB 3.27Å; I51-T55 PolarHBondContact O-N 3.48Å; I51-T55 PolarHBondContact O-OG1 3.14Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.33Å; V52-T55 VanDerWaalsContact O-N 3.15Å; R53-T55 PolarHBondContact O-N 3.4Å; T55-R58 WeakPolarHBondContact O-CB 3.29Å; T55-R58 PolarHBondContact O-N 3.45Å; T55-A59 PolarHBondContact O-N 3.29Å; T55-L128 HydrophobicContact CG2-CD2 3.95Å; T55-L136 HydrophobicContact CG2-CB 4.46Å; T55-L136 HydrophobicContact CG2-CD2 4.13Å; T55-L136 HydrophobicContact CG2-CG 3.98Å; T55-Y137 HydrophobicContact CG2-CD2 4.02Å; T55-Y137 HydrophobicContact CG2-CG 4.47Å |
| 56 | L | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 177.4 | -69.8 | 171 | 0 | 0 | 0 | 112 | W35 L37 V52 R53 R58 A59 F60 I87 F120 A140 | W35-L56 HydrophobicContact CE3-CD1 4.24Å; W35-L56 HydrophobicContact CH2-CB 3.85Å; W35-L56 HydrophobicContact CH2-CD1 4.26Å; W35-L56 HydrophobicContact CZ2-CB 4.21Å; W35-L56 HydrophobicContact CZ3-CB 4.07Å; W35-L56 HydrophobicContact CZ3-CD1 3.71Å; L37-L56 HydrophobicContact CD1-CD1 4.39Å; V52-L56 HydrophobicContact CG1-CD1 3.71Å; V52-L56 HydrophobicContact CG1-CG 4.21Å; V52-L56 VanDerWaalsContact O-CG 3.32Å; V52-L56 WeakPolarHBondContact O-CG 3.06Å; V52-L56 PolarHBondContact O-N 3.46Å; R53-L56 PolarHBondContact O-N 2.92Å; L56-R58 VanDerWaalsContact C-N 3.28Å; L56-R58 PolarHBondContact O-N 3.21Å; L56-A59 PolarHBondContact O-N 2.84Å; L56-A59 VanDerWaalsContact O-N 3.15Å; L56-F60 HydrophobicContact CB-CD2 4.35Å; L56-F60 HydrophobicContact CB-CE2 4.34Å; L56-F60 WeakPolarHBondContact O-CB 3.43Å; L56-F60 WeakPolarHBondContact O-CD2 3.35Å; L56-F60 PolarHBondContact O-N 2.93Å; L56-I87 HydrophobicContact CD1-CD1 3.86Å; L56-I87 HydrophobicContact CD1-CG2 4.11Å; L56-I87 HydrophobicContact CD2-CD1 3.89Å; L56-I87 HydrophobicContact CD2-CG2 4.48Å; L56-I87 HydrophobicContact CG-CD1 4.43Å; L56-F120 HydrophobicContact CD2-CE2 4.44Å; L56-F120 HydrophobicContact CD2-CZ 4.48Å; L56-A140 HydrophobicContact CD2-CB 4.15Å |
| 57 | H | 98.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 39% | 0.394 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.8 | -46.4 | 174.1 | -86.7 | -67.9 | 0 | 0 | 0 | 111.5 | W35 R53 N61 E75 | W35-H57 AromaticContact CH2-CD2 3.93Å; W35-H57 AromaticContact CH2-NE2 3.83Å; W35-H57 AromaticContact CZ2-CD2 3.62Å; W35-H57 AromaticContact CZ2-CE1 3.51Å; W35-H57 AromaticContact CZ2-CG 3.79Å; W35-H57 AromaticContact CZ2-ND1 3.74Å; W35-H57 AromaticContact CZ2-NE2 3.42Å; W35-H57 WeakPolarHBondContact CZ2-NE2 3.41Å; R53-H57 PolarHBondContact O-CD2 3.11Å; R53-H57 PolarHBondContact O-N 3.05Å; H57-N61 VanDerWaalsContact O-CB 3.29Å; H57-N61 WeakPolarHBondContact O-CB 3.21Å; H57-N61 PolarHBondContact O-N 2.86Å; H57-E75 IonicContact CD2-OE2 3.7Å; H57-E75 IonicContact CE1-OE2 3.39Å; H57-E75 IonicContact NE2-OE2 2.94Å; H57-E75 PolarHBondContact NE2-OE2 3.46Å |
| 58 | R | 98.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 48.7 Ų | 48.7 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 176.3 | -174.2 | -173.7 | 167 | -179.1 | -2.9 | 111.1 | T54 T55 L56 F60 N61 D62 Y137 | T54-R58 PolarHBondContact O-N 3.26Å; T54-R58 VanDerWaalsContact O-N 3.14Å; T55-R58 WeakPolarHBondContact O-CB 3.29Å; T55-R58 PolarHBondContact O-N 3.45Å; L56-R58 VanDerWaalsContact C-N 3.28Å; L56-R58 PolarHBondContact O-N 3.21Å; R58-F60 PolarHBondContact O-N 3.16Å; R58-N61 WeakPolarHBondContact O-CB 3.44Å; R58-N61 PolarHBondContact O-N 2.9Å; R58-D62 PolarHBondContact O-N 2.97Å; R58-Y137 HydrophobicContact CB-CD2 4.47Å; R58-Y137 HydrophobicContact CB-CE2 3.92Å; R58-Y137 HydrophobicContact CG-CD2 4.31Å; R58-Y137 HydrophobicContact CG-CE2 3.48Å; R58-Y137 VanDerWaalsContact CG-CE2 3.48Å; R58-Y137 VanDerWaalsContact NE-CZ 3.28Å; R58-Y137 PolarHBondContact NE-OH 3.07Å |
| 59 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T55 L56 N61 D62 W63 Y137 A140 M141 I144 | T55-A59 PolarHBondContact O-N 3.29Å; L56-A59 PolarHBondContact O-N 2.84Å; L56-A59 VanDerWaalsContact O-N 3.15Å; A59-N61 VanDerWaalsContact C-N 3.33Å; A59-N61 PolarHBondContact O-N 3.29Å; A59-D62 PolarHBondContact O-N 2.94Å; A59-W63 VanDerWaalsContact O-CD1 3.28Å; A59-W63 PolarHBondContact O-N 3.07Å; A59-W63 VanDerWaalsContact O-N 3.16Å; A59-Y137 HydrophobicContact CB-CD2 4.31Å; A59-Y137 HydrophobicContact CB-CE2 3.98Å; A59-A140 HydrophobicContact CB-CB 4.27Å; A59-M141 VanDerWaalsContact CA-SD 3.51Å; A59-M141 HydrophobicContact CB-CG 3.92Å; A59-M141 HydrophobicContact CB-SD 3.67Å; A59-I144 HydrophobicContact CB-CD1 3.59Å |
| 60 | F | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 173.4 | -79.8 | -59.2 | 0 | 0 | 0 | 112.7 | W35 L56 R58 W63 S64 F73 I85 I87 I144 | W35-F60 HydrophobicContact CB-CE2 3.78Å; W35-F60 HydrophobicContact CB-CZ 3.79Å; W35-F60 AromaticContact CD1-CD2 3.6Å; W35-F60 AromaticContact CD1-CE2 3.56Å; W35-F60 AromaticContact CD2-CD2 3.98Å; W35-F60 HydrophobicContact CD2-CD2 3.98Å; W35-F60 AromaticContact CD2-CE2 3.56Å; W35-F60 HydrophobicContact CD2-CE2 3.56Å; W35-F60 HydrophobicContact CD2-CZ 4.47Å; W35-F60 AromaticContact CE2-CD2 3.75Å; W35-F60 AromaticContact CE2-CE2 3.84Å; W35-F60 HydrophobicContact CE3-CE2 4.21Å; W35-F60 AromaticContact CG-CD2 3.86Å; W35-F60 HydrophobicContact CG-CD2 3.86Å; W35-F60 AromaticContact CG-CE2 3.35Å; W35-F60 HydrophobicContact CG-CE2 3.35Å; W35-F60 AromaticContact CG-CZ 3.87Å; W35-F60 HydrophobicContact CG-CZ 3.87Å; W35-F60 HydrophobicContact CZ2-CD2 4.39Å; W35-F60 AromaticContact NE1-CD2 3.51Å; W35-F60 AromaticContact NE1-CE2 3.83Å; L56-F60 HydrophobicContact CB-CD2 4.35Å; L56-F60 HydrophobicContact CB-CE2 4.34Å; L56-F60 WeakPolarHBondContact O-CB 3.43Å; L56-F60 WeakPolarHBondContact O-CD2 3.35Å; L56-F60 PolarHBondContact O-N 2.93Å; R58-F60 PolarHBondContact O-N 3.16Å; F60-W63 PolarHBondContact O-N 3.27Å; F60-S64 WeakPolarHBondContact O-CB 3.35Å; F60-S64 PolarHBondContact O-N 3.37Å; F60-F73 HydrophobicContact CB-CB 3.84Å; F60-F73 HydrophobicContact CB-CD2 3.87Å; F60-F73 HydrophobicContact CB-CG 3.85Å; F60-F73 HydrophobicContact CD1-CB 4.08Å; F60-F73 AromaticContact CD1-CD1 3.37Å; F60-F73 HydrophobicContact CD1-CD1 3.37Å; F60-F73 AromaticContact CD1-CD2 3.94Å; F60-F73 HydrophobicContact CD1-CD2 3.94Å; F60-F73 AromaticContact CD1-CE1 3.67Å; F60-F73 HydrophobicContact CD1-CE1 3.67Å; F60-F73 HydrophobicContact CD1-CE2 4.22Å; F60-F73 AromaticContact CD1-CG 3.52Å; F60-F73 HydrophobicContact CD1-CG 3.52Å; F60-F73 HydrophobicContact CD1-CZ 4.09Å; F60-F73 AromaticContact CE1-CD1 3.78Å; F60-F73 HydrophobicContact CE1-CD1 3.78Å; F60-F73 AromaticContact CE1-CE1 3.95Å; F60-F73 HydrophobicContact CE1-CE1 3.95Å; F60-F73 HydrophobicContact CE1-CG 4.35Å; F60-F73 HydrophobicContact CG-CB 4.01Å; F60-F73 HydrophobicContact CG-CD1 4.17Å; F60-F73 HydrophobicContact CG-CD2 4.32Å; F60-F73 AromaticContact CG-CG 3.91Å; F60-F73 HydrophobicContact CG-CG 3.91Å; F60-F73 VanDerWaalsContact O-CD2 3.28Å; F60-F73 WeakPolarHBondContact O-CD2 3.43Å; F60-F73 WeakPolarHBondContact O-CE2 3.5Å; F60-I85 HydrophobicContact CE1-CD1 3.9Å; F60-I85 HydrophobicContact CZ-CD1 4.22Å; F60-I85 HydrophobicContact CZ-CG2 4.2Å; F60-I87 HydrophobicContact CE2-CD1 3.84Å; F60-I87 HydrophobicContact CZ-CD1 3.91Å; F60-I144 HydrophobicContact CD1-CD1 3.96Å; F60-I144 HydrophobicContact CD1-CG1 4.37Å; F60-I144 HydrophobicContact CD1-CG2 3.96Å; F60-I144 HydrophobicContact CD2-CD1 4.2Å; F60-I144 HydrophobicContact CE1-CD1 3.87Å; F60-I144 HydrophobicContact CE1-CG1 3.89Å; F60-I144 HydrophobicContact CE1-CG2 3.84Å; F60-I144 HydrophobicContact CE2-CD1 4.11Å; F60-I144 HydrophobicContact CG-CD1 4.11Å; F60-I144 HydrophobicContact CZ-CD1 3.94Å; F60-I144 HydrophobicContact CZ-CG1 4.03Å |
| 61 | N | 98.2 | Very high | 97.2 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 177.3 | -179.7 | 71.2 | 0 | 0 | 0 | 112.4 | H57 R58 A59 S64 S65 | H57-N61 VanDerWaalsContact O-CB 3.29Å; H57-N61 WeakPolarHBondContact O-CB 3.21Å; H57-N61 PolarHBondContact O-N 2.86Å; R58-N61 WeakPolarHBondContact O-CB 3.44Å; R58-N61 PolarHBondContact O-N 2.9Å; A59-N61 VanDerWaalsContact C-N 3.33Å; A59-N61 PolarHBondContact O-N 3.29Å; N61-S64 WeakPolarHBondContact O-CB 3.37Å; N61-S64 PolarHBondContact O-N 3.13Å; N61-S65 WeakPolarHBondContact O-CB 3.37Å; N61-S65 PolarHBondContact O-N 2.7Å; N61-S65 PolarHBondContact O-OG 3.44Å |
| 62 | D | 98.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.5 | -84.1 | 22.4 | 0 | 0 | 0 | 111.5 | R58 A59 S65 A66 Y137 M141 L173 | R58-D62 PolarHBondContact O-N 2.97Å; A59-D62 PolarHBondContact O-N 2.94Å; D62-S65 PolarHBondContact O-N 2.83Å; D62-A66 WeakPolarHBondContact O-CB 3.43Å; D62-A66 PolarHBondContact O-N 3.19Å; D62-Y137 PolarHBondContact OD2-OH 3.47Å; D62-M141 HydrophobicContact CB-CE 3.7Å; D62-M141 HydrophobicContact CB-SD 3.86Å; D62-L173 HydrophobicContact CB-CD1 4.48Å |
| 63 | W | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 173.7 | -78.6 | 111.7 | 0 | 0 | 0 | 113.2 | A59 F60 S65 A66 S67 F73 M141 I144 L148 L150 V159 M160 L173 D177 I181 | A59-W63 VanDerWaalsContact O-CD1 3.28Å; A59-W63 PolarHBondContact O-N 3.07Å; A59-W63 VanDerWaalsContact O-N 3.16Å; F60-W63 PolarHBondContact O-N 3.27Å; W63-S65 VanDerWaalsContact C-N 3.31Å; W63-S65 PolarHBondContact O-N 3.03Å; W63-A66 PolarHBondContact O-N 2.94Å; W63-S67 WeakPolarHBondContact O-CB 3.01Å; W63-S67 PolarHBondContact O-N 3.49Å; W63-S67 PolarHBondContact O-OG 2.92Å; W63-F73 HydrophobicContact CB-CE2 4.4Å; W63-M141 VanDerWaalsContact CZ2-O 3.26Å; W63-M141 WeakPolarHBondContact CZ2-O 3.47Å; W63-M141 PolarHBondContact NE1-O 3.18Å; W63-I144 HydrophobicContact CB-CG2 4.45Å; W63-I144 HydrophobicContact CG-CG2 3.88Å; W63-L148 HydrophobicContact CB-CD1 3.84Å; W63-L148 HydrophobicContact CD2-CD1 4.02Å; W63-L148 HydrophobicContact CE3-CD1 4.22Å; W63-L148 HydrophobicContact CG-CD1 3.89Å; W63-L150 HydrophobicContact CH2-CD1 3.39Å; W63-L150 HydrophobicContact CZ2-CD1 4.44Å; W63-L150 HydrophobicContact CZ3-CD1 3.46Å; W63-L150 VanDerWaalsContact CZ3-CD1 3.46Å; W63-V159 HydrophobicContact CZ2-CG1 4.28Å; W63-M160 HydrophobicContact CH2-SD 4.37Å; W63-M160 HydrophobicContact CZ2-SD 4.29Å; W63-L173 HydrophobicContact CD2-CD1 4.27Å; W63-L173 HydrophobicContact CD2-CD2 4.15Å; W63-L173 HydrophobicContact CE3-CD1 4.11Å; W63-L173 HydrophobicContact CE3-CD2 4.03Å; W63-L173 HydrophobicContact CH2-CD2 3.39Å; W63-L173 HydrophobicContact CZ2-CD2 3.52Å; W63-L173 HydrophobicContact CZ3-CD1 4.4Å; W63-L173 HydrophobicContact CZ3-CD2 3.65Å; W63-D177 HydrophobicContact CH2-CB 4.02Å; W63-D177 HydrophobicContact CZ3-CB 4.3Å; W63-I181 HydrophobicContact CE3-CB 4.19Å; W63-I181 HydrophobicContact CE3-CD1 4.22Å; W63-I181 HydrophobicContact CE3-CG1 4.08Å; W63-I181 HydrophobicContact CE3-CG2 4.43Å; W63-I181 HydrophobicContact CZ3-CB 4.02Å; W63-I181 HydrophobicContact CZ3-CD1 4.45Å; W63-I181 HydrophobicContact CZ3-CG1 4.36Å; W63-I181 HydrophobicContact CZ3-CG2 4.35Å |
| 64 | S | 97.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 172.1 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | F60 N61 S67 K68 R69 L71 | F60-S64 WeakPolarHBondContact O-CB 3.35Å; F60-S64 PolarHBondContact O-N 3.37Å; N61-S64 WeakPolarHBondContact O-CB 3.37Å; N61-S64 PolarHBondContact O-N 3.13Å; S64-S67 PolarHBondContact O-N 2.81Å; S64-S67 PolarHBondContact O-OG 3.36Å; S64-K68 PolarHBondContact O-N 3.42Å; S64-R69 WeakPolarHBondContact O-CA 3.13Å; S64-R69 PolarHBondContact O-N 3.23Å; S64-L71 WeakPolarHBondContact CB-O 3.36Å; S64-L71 PolarHBondContact OG-O 3.45Å |
| 65 | S | 97.2 | Very high | 97 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 179 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | N61 D62 W63 S67 K68 | N61-S65 WeakPolarHBondContact O-CB 3.37Å; N61-S65 PolarHBondContact O-N 2.7Å; N61-S65 PolarHBondContact O-OG 3.44Å; D62-S65 PolarHBondContact O-N 2.83Å; W63-S65 VanDerWaalsContact C-N 3.31Å; W63-S65 PolarHBondContact O-N 3.03Å; S65-S67 VanDerWaalsContact C-N 3.27Å; S65-S67 PolarHBondContact O-N 2.78Å; S65-K68 WeakPolarHBondContact O-CA 3.47Å; S65-K68 PolarHBondContact O-N 3.04Å |
| 66 | A | 96.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.2 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D62 W63 K68 L173 I178 I181 R182 | D62-A66 WeakPolarHBondContact O-CB 3.43Å; D62-A66 PolarHBondContact O-N 3.19Å; W63-A66 PolarHBondContact O-N 2.94Å; A66-K68 PolarHBondContact O-N 2.8Å; A66-L173 HydrophobicContact CB-CD1 3.45Å; A66-L173 VanDerWaalsContact CB-CD1 3.45Å; A66-I178 HydrophobicContact CB-CG1 4.28Å; A66-I181 HydrophobicContact CB-CG2 4.04Å; A66-R182 PolarHBondContact O-NE 2.79Å |
| 67 | S | 94.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -0.1 | 174.4 | 83.8 | 0 | 0 | 0 | 0 | 114.1 | W63 S64 S65 A70 L71 | W63-S67 WeakPolarHBondContact O-CB 3.01Å; W63-S67 PolarHBondContact O-N 3.49Å; W63-S67 PolarHBondContact O-OG 2.92Å; S64-S67 PolarHBondContact O-N 2.81Å; S64-S67 PolarHBondContact O-OG 3.36Å; S65-S67 VanDerWaalsContact C-N 3.27Å; S65-S67 PolarHBondContact O-N 2.78Å; S67-A70 WeakPolarHBondContact O-CB 3.28Å; S67-A70 PolarHBondContact O-N 3.24Å; S67-A70 PolarHBondContact OG-N 3.16Å; S67-L71 PolarHBondContact OG-N 3Å; S67-L71 VanDerWaalsContact OG-N 3.15Å |
| 68 | K | 94.7 | Very high | 94 | Very high | 131 Ų | 131 | 53.7 Ų | 53.7 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 42.4 | -169.2 | -57.8 | -171.5 | 175 | -170.6 | 0 | 112.6 | S64 S65 A66 A70 | S64-K68 PolarHBondContact O-N 3.42Å; S65-K68 WeakPolarHBondContact O-CA 3.47Å; S65-K68 PolarHBondContact O-N 3.04Å; A66-K68 PolarHBondContact O-N 2.8Å; K68-A70 PolarHBondContact O-N 3.37Å; K68-A70 VanDerWaalsContact O-N 3.13Å |
| 69 | R | 94.7 | Very high | 92.7 | Very high | 167 Ų | 167 | 51.5 Ų | 51.5 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.8 | -177.9 | -56.6 | -178.5 | 175 | -87.2 | -0.9 | 114.4 | S64 L71 | S64-R69 WeakPolarHBondContact O-CA 3.13Å; S64-R69 PolarHBondContact O-N 3.23Å; R69-L71 PolarHBondContact O-N 3.2Å |
| 70 | A | 94.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -65.7 | -28.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R31 S67 K68 Y185 | R31-A70 WeakPolarHBondContact CB-O 3.39Å; R31-A70 WeakPolarHBondContact CD-O 3Å; R31-A70 VanDerWaalsContact NH1-CB 3.35Å; R31-A70 PolarHBondContact NH1-O 3.22Å; S67-A70 WeakPolarHBondContact O-CB 3.28Å; S67-A70 PolarHBondContact O-N 3.24Å; S67-A70 PolarHBondContact OG-N 3.16Å; K68-A70 PolarHBondContact O-N 3.37Å; K68-A70 VanDerWaalsContact O-N 3.13Å; A70-Y185 WeakPolarHBondContact CB-O 3.39Å |
| 71 | L | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -113.2 | 142.8 | 167.9 | -68.8 | 169 | 0 | 0 | 0 | 109.3 | R31 L33 S64 S67 R69 F73 L148 I181 Y185 | R31-L71 CarbonylContact O-C 3.5Å; R31-L71 WeakPolarHBondContact O-CA 3.49Å; L33-L71 HydrophobicContact CD1-CD2 4.25Å; S64-L71 WeakPolarHBondContact CB-O 3.36Å; S64-L71 PolarHBondContact OG-O 3.45Å; S67-L71 PolarHBondContact OG-N 3Å; S67-L71 VanDerWaalsContact OG-N 3.15Å; R69-L71 PolarHBondContact O-N 3.2Å; L71-F73 HydrophobicContact CB-CE2 3.95Å; L71-F73 HydrophobicContact CB-CZ 3.91Å; L71-F73 HydrophobicContact CD1-CZ 4.21Å; L71-L148 HydrophobicContact CD1-CD1 4.08Å; L71-L148 HydrophobicContact CD1-CD2 3.75Å; L71-L148 HydrophobicContact CD1-CG 4.4Å; L71-I181 HydrophobicContact CD1-CD1 4.13Å; L71-Y185 HydrophobicContact CD1-CD1 4.05Å; L71-Y185 HydrophobicContact CD1-CD2 3.55Å; L71-Y185 HydrophobicContact CD1-CE1 4.22Å; L71-Y185 HydrophobicContact CD1-CE2 3.75Å; L71-Y185 HydrophobicContact CD1-CG 3.71Å; L71-Y185 HydrophobicContact CD2-CD1 3.71Å; L71-Y185 HydrophobicContact CD2-CE1 3.88Å; L71-Y185 HydrophobicContact CD2-CG 4.15Å; L71-Y185 HydrophobicContact CG-CD1 3.97Å; L71-Y185 HydrophobicContact CG-CD2 4.25Å; L71-Y185 HydrophobicContact CG-CE1 4.42Å; L71-Y185 HydrophobicContact CG-CG 3.88Å |
| 72 | Q | 97 | Very high | 89.5 | Confident | 73 Ų | 73 | 66 Ų | 66 | 34% | 0.341 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138 | 176.2 | -69.5 | 174.2 | 57.5 | 0 | 0 | 108.3 | R31 R32 L33 | R31-Q72 PolarHBondContact O-N 2.98Å; R32-Q72 CarbonylContact C-O 3.58Å; R32-Q72 WeakPolarHBondContact CA-O 3.15Å; R32-Q72 HydrophobicContact CG-CB 4.35Å; L33-Q72 PolarHBondContact N-O 3.45Å |
| 73 | F | 97.7 | Very high | 89.3 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.6 | -175.8 | -55.5 | -84.7 | 0 | 0 | 0 | 109.8 | L33 F60 W63 L71 I85 L148 | L33-F73 HydrophobicContact CB-CD1 3.92Å; L33-F73 HydrophobicContact CB-CE1 4.11Å; L33-F73 HydrophobicContact CD1-CD1 4.48Å; L33-F73 HydrophobicContact CD1-CE1 3.82Å; L33-F73 HydrophobicContact CG-CE1 4.49Å; L33-F73 VanDerWaalsContact O-CA 3.31Å; L33-F73 WeakPolarHBondContact O-CA 3.34Å; F60-F73 HydrophobicContact CB-CB 3.84Å; F60-F73 HydrophobicContact CB-CD2 3.87Å; F60-F73 HydrophobicContact CB-CG 3.85Å; F60-F73 HydrophobicContact CD1-CB 4.08Å; F60-F73 AromaticContact CD1-CD1 3.37Å; F60-F73 HydrophobicContact CD1-CD1 3.37Å; F60-F73 AromaticContact CD1-CD2 3.94Å; F60-F73 HydrophobicContact CD1-CD2 3.94Å; F60-F73 AromaticContact CD1-CE1 3.67Å; F60-F73 HydrophobicContact CD1-CE1 3.67Å; F60-F73 HydrophobicContact CD1-CE2 4.22Å; F60-F73 AromaticContact CD1-CG 3.52Å; F60-F73 HydrophobicContact CD1-CG 3.52Å; F60-F73 HydrophobicContact CD1-CZ 4.09Å; F60-F73 AromaticContact CE1-CD1 3.78Å; F60-F73 HydrophobicContact CE1-CD1 3.78Å; F60-F73 AromaticContact CE1-CE1 3.95Å; F60-F73 HydrophobicContact CE1-CE1 3.95Å; F60-F73 HydrophobicContact CE1-CG 4.35Å; F60-F73 HydrophobicContact CG-CB 4.01Å; F60-F73 HydrophobicContact CG-CD1 4.17Å; F60-F73 HydrophobicContact CG-CD2 4.32Å; F60-F73 AromaticContact CG-CG 3.91Å; F60-F73 HydrophobicContact CG-CG 3.91Å; F60-F73 VanDerWaalsContact O-CD2 3.28Å; F60-F73 WeakPolarHBondContact O-CD2 3.43Å; F60-F73 WeakPolarHBondContact O-CE2 3.5Å; W63-F73 HydrophobicContact CB-CE2 4.4Å; L71-F73 HydrophobicContact CB-CE2 3.95Å; L71-F73 HydrophobicContact CB-CZ 3.91Å; L71-F73 HydrophobicContact CD1-CZ 4.21Å; F73-I85 HydrophobicContact CE1-CD1 4.37Å; F73-L148 HydrophobicContact CE1-CD2 3.96Å; F73-L148 HydrophobicContact CZ-CD1 4.03Å; F73-L148 HydrophobicContact CZ-CD2 3.81Å; F73-L148 HydrophobicContact CZ-CG 4.5Å |
| 74 | S | 96.2 | Very high | 89.1 | Confident | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 135 | 173.3 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | L33 T34 W35 | L33-S74 PolarHBondContact O-N 3.28Å; T34-S74 VanDerWaalsContact CA-O 3.31Å; T34-S74 WeakPolarHBondContact CA-O 3.43Å; W35-S74 PolarHBondContact N-O 3.01Å |
| 75 | E | 96.1 | Very high | 89.1 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.7 | 171.1 | -171.8 | 168.8 | -170.4 | 0 | 0 | 109.5 | W35 R53 H57 E77 | W35-E75 HydrophobicContact CD2-CB 4.24Å; W35-E75 HydrophobicContact CD2-CG 4.3Å; W35-E75 HydrophobicContact CE3-CG 4.2Å; W35-E75 HydrophobicContact CH2-CB 4.04Å; W35-E75 HydrophobicContact CH2-CG 3.79Å; W35-E75 WeakPolarHBondContact CH2-OE2 3.47Å; W35-E75 HydrophobicContact CZ2-CB 3.63Å; W35-E75 HydrophobicContact CZ2-CG 3.93Å; W35-E75 HydrophobicContact CZ3-CG 3.93Å; W35-E75 CarbonylContact O-C 3.55Å; W35-E75 WeakPolarHBondContact O-CA 3.32Å; R53-E75 WeakPolarHBondContact CD-OE1 3.39Å; R53-E75 WeakPolarHBondContact CG-OE1 3.5Å; R53-E75 IonicContact CZ-OE1 3.05Å; R53-E75 IonicContact NE-OE1 2.7Å; R53-E75 PolarHBondContact NE-OE1 2.92Å; R53-E75 IonicContact NH2-OE1 3.41Å; H57-E75 IonicContact CD2-OE2 3.7Å; H57-E75 IonicContact CE1-OE2 3.39Å; H57-E75 IonicContact NE2-OE2 2.94Å; H57-E75 PolarHBondContact NE2-OE2 3.46Å; E75-E77 HydrophobicContact CG-CG 4.47Å |
| 76 | H | 86.9 | Confident | 89 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | trans | -116.3 | 97.9 | 178.5 | -163.5 | -86.8 | 0 | 0 | 0 | 109.3 | T34 W35 R36 N78 S81 | T34-H76 HydrophobicContact CG2-CB 4.26Å; W35-H76 PolarHBondContact O-N 3.15Å; R36-H76 WeakPolarHBondContact CD-O 3.26Å; R36-H76 WeakPolarHBondContact CG-O 3.38Å; H76-N78 VanDerWaalsContact C-N 3.32Å; H76-N78 PolarHBondContact CE1-O 3.26Å; H76-N78 PolarHBondContact ND1-O 3.41Å; H76-N78 VanDerWaalsContact ND1-O 3.13Å; H76-S81 PolarHBondContact CE1-OG 3.48Å; H76-S81 PolarHBondContact ND1-OG 3.39Å; H76-S81 PolarHBondContact NE2-OG 3.46Å | ||
| 77 | E | 70.6 | Confident | 89.1 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 72% | 0.724 | 33% | 0.325 | S | S | * | . | trans | -75.9 | -20.8 | -177 | -63.1 | -172.5 | 167.6 | 0 | 0 | 113.2 | E75 A79 | E75-E77 HydrophobicContact CG-CG 4.47Å; E77-A79 PolarHBondContact O-N 3.44Å; E77-A79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | N | 73.8 | Confident | 89.2 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | trans | -72.7 | 115.2 | -178.9 | -177 | -4.6 | 0 | 0 | 0 | 110.3 | H76 D80 | H76-N78 VanDerWaalsContact C-N 3.32Å; H76-N78 PolarHBondContact CE1-O 3.26Å; H76-N78 PolarHBondContact ND1-O 3.41Å; H76-N78 VanDerWaalsContact ND1-O 3.13Å; N78-D80 VanDerWaalsContact C-N 3.25Å; N78-D80 PolarHBondContact O-N 3.47Å; N78-D80 WeakPolarHBondContact OD1-CB 3.36Å; N78-D80 PolarHBondContact OD1-N 3.3Å | ||
| 79 | A | 70 | Confident | 89.4 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 60% | 0.595 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R36 E77 S81 | R36-A79 PolarHBondContact NH1-O 3.33Å; E77-A79 PolarHBondContact O-N 3.44Å; E77-A79 VanDerWaalsContact O-N 3.16Å; A79-S81 PolarHBondContact O-N 3.23Å |
| 80 | D | 70.6 | Confident | 89.5 | Confident | 152 Ų | 152 | 51.2 Ų | 51.2 | 81% | 0.813 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.4 | -170.9 | -60.8 | -30.2 | 0 | 0 | 0 | 114 | N78 | N78-D80 VanDerWaalsContact C-N 3.25Å; N78-D80 PolarHBondContact O-N 3.47Å; N78-D80 WeakPolarHBondContact OD1-CB 3.36Å; N78-D80 PolarHBondContact OD1-N 3.3Å |
| 81 | S | 74.7 | Confident | 89.7 | Confident | 47 Ų | 47 | 57 Ų | 57 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -123 | 145.1 | 177.9 | 96.3 | 0 | 0 | 0 | 0 | 112.1 | R36 H76 A79 A83 | R36-S81 PolarHBondContact NH1-O 3Å; R36-S81 VanDerWaalsContact NH1-O 3.08Å; H76-S81 PolarHBondContact CE1-OG 3.48Å; H76-S81 PolarHBondContact ND1-OG 3.39Å; H76-S81 PolarHBondContact NE2-OG 3.46Å; A79-S81 PolarHBondContact O-N 3.23Å; S81-A83 PolarHBondContact O-N 3.19Å |
| 82 | K | 84.2 | Confident | 89.7 | Confident | 192 Ų | 192 | 58.3 Ų | 58.3 | 84% | 0.835 | 31% | 0.306 | S | S | * | . | trans | -70.5 | 114.2 | 177.2 | -174.1 | 171.2 | -177.9 | 175.9 | 0 | 110.7 | ||||
| 83 | A | 93 | Very high | 89.7 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | trans | -65 | 155.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T34 R36 S81 I85 | T34-A83 WeakPolarHBondContact OG1-CA 3.23Å; R36-A83 HydrophobicContact CB-CB 3.83Å; S81-A83 PolarHBondContact O-N 3.19Å; A83-I85 VanDerWaalsContact C-N 3.3Å; A83-I85 WeakPolarHBondContact CB-O 3.26Å | ||
| 84 | N | 94.9 | Very high | 89.6 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -70.8 | -33.3 | 173.3 | -55.9 | 136.8 | 0 | 0 | 0 | 111.6 | W28 L33 T34 G116 | W28-N84 HydrophobicContact CH2-CB 4.21Å; W28-N84 WeakPolarHBondContact CH2-O 3.29Å; W28-N84 HydrophobicContact CZ3-CB 4.17Å; L33-N84 WeakPolarHBondContact CA-OD1 3.49Å; L33-N84 HydrophobicContact CB-CB 4.45Å; L33-N84 HydrophobicContact CD2-CB 4.07Å; T34-N84 PolarHBondContact N-OD1 2.95Å; T34-N84 WeakPolarHBondContact O-CA 3.48Å; T34-N84 WeakPolarHBondContact O-CB 3.36Å; T34-N84 PolarHBondContact O-N 3.33Å; T34-N84 PolarHBondContact OG1-N 2.85Å; T34-N84 VanDerWaalsContact OG1-N 3.08Å; T34-N84 PolarHBondContact OG1-OD1 2.86Å; N84-G116 WeakPolarHBondContact O-CA 3.46Å |
| 85 | I | 96.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.2 | 179.1 | -66 | 164.3 | 0 | 0 | 0 | 108.4 | W28 L33 T34 W35 R36 F60 F73 A83 I87 G116 L147 | W28-I85 HydrophobicContact CZ2-CG1 4.26Å; L33-I85 HydrophobicContact CB-CD1 4.43Å; L33-I85 HydrophobicContact CD1-CD1 4.43Å; T34-I85 PolarHBondContact O-N 3Å; W35-I85 CarbonylContact C-O 3.53Å; W35-I85 VanDerWaalsContact CA-O 3.24Å; W35-I85 WeakPolarHBondContact CA-O 3.18Å; W35-I85 HydrophobicContact CB-CB 3.91Å; W35-I85 HydrophobicContact CB-CG2 4.1Å; R36-I85 PolarHBondContact N-O 3.15Å; F60-I85 HydrophobicContact CE1-CD1 3.9Å; F60-I85 HydrophobicContact CZ-CD1 4.22Å; F60-I85 HydrophobicContact CZ-CG2 4.2Å; F73-I85 HydrophobicContact CE1-CD1 4.37Å; A83-I85 VanDerWaalsContact C-N 3.3Å; A83-I85 WeakPolarHBondContact CB-O 3.26Å; I85-I87 HydrophobicContact CG2-CD1 4.01Å; I85-I87 HydrophobicContact CG2-CG1 3.77Å; I85-G116 CarbonylContact C-O 3.45Å; I85-G116 WeakPolarHBondContact CA-O 3.37Å; I85-G116 WeakPolarHBondContact CG2-O 3.23Å; I85-L147 HydrophobicContact CD1-CD1 4.2Å; I85-L147 HydrophobicContact CG1-CD1 4.31Å; I85-L147 HydrophobicContact CG2-CD1 3.46Å; I85-L147 VanDerWaalsContact CG2-CD1 3.46Å; I85-L147 HydrophobicContact CG2-CD2 4.25Å |
| 86 | N | 95.8 | Very high | 89.3 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.2 | 174 | -170.3 | 33.1 | 0 | 0 | 0 | 110.2 | D38 G116 N117 L118 | D38-N86 VanDerWaalsContact CG-OD1 3.28Å; D38-N86 PolarHBondContact OD2-OD1 3.38Å; N86-G116 PolarHBondContact N-O 3.28Å; N86-N117 WeakPolarHBondContact CB-OD1 3.46Å; N86-N117 CarbonylContact O-C 3.53Å; N86-N117 WeakPolarHBondContact O-CA 3.45Å; N86-L118 PolarHBondContact O-N 2.84Å |
| 87 | I | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.6 | -173.3 | -50.3 | 178.3 | 0 | 0 | 0 | 108.2 | W35 R36 L37 D38 L56 F60 I85 L118 F120 | W35-I87 HydrophobicContact CB-CD1 4.43Å; W35-I87 HydrophobicContact CE3-CD1 4.06Å; R36-I87 WeakPolarHBondContact O-CB 3.26Å; R36-I87 PolarHBondContact O-N 3.44Å; L37-I87 CarbonylContact C-O 3.58Å; L37-I87 WeakPolarHBondContact CA-O 3.31Å; L37-I87 HydrophobicContact CD1-CG2 4.26Å; D38-I87 PolarHBondContact N-O 3.2Å; L56-I87 HydrophobicContact CD1-CD1 3.86Å; L56-I87 HydrophobicContact CD1-CG2 4.11Å; L56-I87 HydrophobicContact CD2-CD1 3.89Å; L56-I87 HydrophobicContact CD2-CG2 4.48Å; L56-I87 HydrophobicContact CG-CD1 4.43Å; F60-I87 HydrophobicContact CE2-CD1 3.84Å; F60-I87 HydrophobicContact CZ-CD1 3.91Å; I85-I87 HydrophobicContact CG2-CD1 4.01Å; I85-I87 HydrophobicContact CG2-CG1 3.77Å; I87-L118 VanDerWaalsContact CA-O 3.31Å; I87-L118 WeakPolarHBondContact CA-O 3.15Å; I87-L118 HydrophobicContact CG1-CB 4.25Å; I87-L118 HydrophobicContact CG2-CB 4.49Å; I87-L118 HydrophobicContact CG2-CD2 4.29Å; I87-F120 HydrophobicContact CG2-CD2 4.1Å; I87-F120 HydrophobicContact CG2-CE2 3.67Å |
| 88 | F | 97.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 168.7 | 172.4 | 63.3 | -90.9 | 0 | 0 | 0 | 112.3 | D38 P40 H41 A90 L118 H119 F120 | D38-F88 HydrophobicContact CB-CB 4.46Å; D38-F88 WeakPolarHBondContact O-CB 3.41Å; P40-F88 HydrophobicContact CG-CB 4.25Å; P40-F88 HydrophobicContact CG-CD2 3.91Å; P40-F88 HydrophobicContact CG-CE2 4.35Å; P40-F88 HydrophobicContact CG-CG 4.02Å; H41-F88 AromaticContact NE2-CE2 3.8Å; F88-A90 HydrophobicContact CD2-CB 4.11Å; F88-A90 HydrophobicContact CE2-CB 3.83Å; F88-L118 PolarHBondContact N-O 3.09Å; F88-H119 AromaticContact CD1-CD2 3.6Å; F88-H119 AromaticContact CD1-NE2 3.87Å; F88-H119 AromaticContact CE1-CD2 3.13Å; F88-H119 WeakPolarHBondContact CE1-CD2 3.48Å; F88-H119 AromaticContact CE1-CE1 3.86Å; F88-H119 AromaticContact CE1-NE2 2.95Å; F88-H119 WeakPolarHBondContact CE1-NE2 3.46Å; F88-H119 AromaticContact CE2-CD2 3.78Å; F88-H119 AromaticContact CZ-CD2 3.23Å; F88-H119 WeakPolarHBondContact CZ-CD2 3.43Å; F88-H119 AromaticContact CZ-CE1 3.5Å; F88-H119 AromaticContact CZ-CG 3.82Å; F88-H119 AromaticContact CZ-ND1 3.93Å; F88-H119 AromaticContact CZ-NE2 3.06Å; F88-H119 WeakPolarHBondContact CZ-NE2 3.46Å; F88-H119 WeakPolarHBondContact O-CA 3.5Å; F88-F120 PolarHBondContact O-N 2.77Å |
| 89 | F | 98.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.9 | 173.5 | -75.6 | -109.1 | 0 | 0 | 0 | 108.5 | H41 L43 L44 V52 F120 A122 W126 L136 | H41-F89 PolarHBondContact CD2-O 2.91Å; L43-F89 HydrophobicContact CD1-CB 4.42Å; L43-F89 WeakPolarHBondContact CD1-O 3.26Å; L44-F89 HydrophobicContact CD1-CD2 3.6Å; L44-F89 HydrophobicContact CD1-CE2 3.87Å; L44-F89 HydrophobicContact CD1-CG 4.33Å; L44-F89 HydrophobicContact CD2-CD1 4.32Å; L44-F89 HydrophobicContact CD2-CD2 4.07Å; L44-F89 HydrophobicContact CD2-CE2 4.34Å; L44-F89 HydrophobicContact CD2-CG 4.06Å; L44-F89 HydrophobicContact CG-CD2 4.11Å; L44-F89 HydrophobicContact CG-CG 4.36Å; V52-F89 HydrophobicContact CG1-CE2 3.89Å; V52-F89 HydrophobicContact CG1-CZ 4.42Å; V52-F89 HydrophobicContact CG2-CE2 3.9Å; V52-F89 HydrophobicContact CG2-CZ 3.9Å; F89-F120 WeakPolarHBondContact CA-O 3.44Å; F89-F120 HydrophobicContact CD1-CB 3.64Å; F89-F120 HydrophobicContact CD2-CB 4.33Å; F89-F120 HydrophobicContact CD2-CD2 4.29Å; F89-F120 HydrophobicContact CE1-CB 3.59Å; F89-F120 HydrophobicContact CE1-CD2 4.46Å; F89-F120 HydrophobicContact CE1-CG 4.15Å; F89-F120 HydrophobicContact CE2-CB 4.26Å; F89-F120 AromaticContact CE2-CD2 3.8Å; F89-F120 HydrophobicContact CE2-CD2 3.8Å; F89-F120 HydrophobicContact CE2-CG 4.3Å; F89-F120 HydrophobicContact CG-CB 4.04Å; F89-F120 HydrophobicContact CZ-CB 3.92Å; F89-F120 AromaticContact CZ-CD2 3.91Å; F89-F120 HydrophobicContact CZ-CD2 3.91Å; F89-F120 HydrophobicContact CZ-CG 4Å; F89-A122 HydrophobicContact CB-CB 4.05Å; F89-A122 HydrophobicContact CD1-CB 4.39Å; F89-W126 AromaticContact CD1-NE1 3.94Å; F89-W126 AromaticContact CE1-CD1 3.77Å; F89-W126 HydrophobicContact CE1-CD2 4.3Å; F89-W126 AromaticContact CE1-CE2 3.88Å; F89-W126 HydrophobicContact CE1-CG 4.23Å; F89-W126 AromaticContact CE1-NE1 3.51Å; F89-L136 HydrophobicContact CZ-CD1 3.98Å |
| 90 | A | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F88 H94 F100 F120 A122 | F88-A90 HydrophobicContact CD2-CB 4.11Å; F88-A90 HydrophobicContact CE2-CB 3.83Å; A90-H94 HydrophobicContact CB-CB 3.63Å; A90-F100 HydrophobicContact CB-CD2 4.33Å; A90-F100 HydrophobicContact CB-CE2 4.08Å; A90-F120 PolarHBondContact N-O 2.84Å; A90-A122 WeakPolarHBondContact O-CB 3.21Å; A90-A122 PolarHBondContact O-N 3.1Å |
| 91 | R | 97.4 | Very high | 94 | Very high | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 30% | 0.296 | S | S | . | . | trans | -131.6 | 146.4 | 174.7 | -65.6 | -175.9 | 171.8 | 170.5 | -2.3 | 109.3 | L43 A122 D123 | L43-R91 HydrophobicContact CD1-CG 4.39Å; R91-A122 HydrophobicContact CG-CB 3.78Å; R91-D123 WeakPolarHBondContact CD-OD1 3.4Å; R91-D123 IonicContact CZ-OD1 2.93Å; R91-D123 IonicContact NE-OD1 2.74Å; R91-D123 PolarHBondContact NE-OD1 3.43Å; R91-D123 IonicContact NH2-OD1 3.34Å | ||
| 92 | G | 96.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 51.9 | -139.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H94 P99 F100 | G92-H94 PolarHBondContact O-N 2.67Å; G92-H94 PolarHBondContact O-ND1 3Å; G92-P99 WeakPolarHBondContact O-CA 3.5Å; G92-F100 WeakPolarHBondContact CA-O 3.41Å; G92-F100 PolarHBondContact O-N 3.31Å |
| 93 | D | 96.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | trans | -69.2 | 122.9 | 171.3 | -173 | 6.2 | 0 | 0 | 0 | 111.4 | N95 P99 | D93-N95 PolarHBondContact OD1-N 3.19Å; D93-P99 HydrophobicContact CB-CB 4.32Å | ||
| 94 | H | 96 | Very high | 95.1 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 6% | 0.06 | 28% | 0.284 | C | S | . | . | trans | -131.1 | 33.2 | 179.8 | 56 | -80.2 | 0 | 0 | 0 | 112.2 | A90 G92 D96 L98 F100 H109 H119 | A90-H94 HydrophobicContact CB-CB 3.63Å; G92-H94 PolarHBondContact O-N 2.67Å; G92-H94 PolarHBondContact O-ND1 3Å; H94-D96 IonicContact CD2-OD1 3.88Å; H94-D96 IonicContact CD2-OD2 2.84Å; H94-D96 PolarHBondContact CD2-OD2 3.14Å; H94-D96 IonicContact CE1-OD1 3.42Å; H94-D96 IonicContact NE2-OD1 3.63Å; H94-D96 IonicContact NE2-OD2 3.08Å; H94-D96 PolarHBondContact NE2-OD2 3.03Å; H94-D96 PolarHBondContact O-N 2.86Å; H94-L98 PolarHBondContact CE1-O 3.32Å; H94-F100 AromaticContact CE1-CD2 3.48Å; H94-F100 VanDerWaalsContact CE1-CD2 3.48Å; H94-F100 WeakPolarHBondContact CE1-CD2 3.36Å; H94-F100 AromaticContact CE1-CE2 3.46Å; H94-F100 VanDerWaalsContact CE1-CE2 3.46Å; H94-F100 WeakPolarHBondContact CE1-CE2 3.41Å; H94-F100 AromaticContact CE1-CG 3.95Å; H94-F100 AromaticContact CE1-CZ 3.9Å; H94-F100 AromaticContact ND1-CD2 3.81Å; H94-F100 AromaticContact NE2-CE2 3.82Å; H94-H109 AromaticContact CE1-CE1 3.58Å; H94-H109 AromaticContact NE2-CE1 3.33Å; H94-H109 PolarHBondContact NE2-CE1 2.87Å; H94-H109 VanDerWaalsContact NE2-CE1 3.33Å; H94-H109 AromaticContact NE2-NE2 3.36Å; H94-H109 PolarHBondContact NE2-NE2 3.27Å; H94-H119 AromaticContact CD2-CE1 3.86Å; H94-H119 AromaticContact CD2-CG 3.95Å; H94-H119 AromaticContact CD2-ND1 3.18Å; H94-H119 PolarHBondContact CD2-ND1 3.15Å; H94-H119 AromaticContact NE2-CG 3.74Å; H94-H119 AromaticContact NE2-ND1 3.03Å; H94-H119 PolarHBondContact NE2-ND1 3.26Å | ||
| 95 | N | 93.4 | Very high | 95.1 | Very high | 155 Ų | 155 | 51.8 Ų | 51.8 | 83% | 0.829 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 65.9 | 28.1 | 167.5 | -62 | -44 | 0 | 0 | 0 | 116.2 | D93 | D93-N95 PolarHBondContact OD1-N 3.19Š|
| 96 | D | 93.2 | Very high | 95 | Very high | 33 Ų | 33 | 54 Ų | 54 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -122.8 | 9.1 | 177.1 | 70.9 | -2.1 | 0 | 0 | 0 | 114.3 | H94 L98 H109 F111 H119 | H94-D96 IonicContact CD2-OD1 3.88Å; H94-D96 IonicContact CD2-OD2 2.84Å; H94-D96 PolarHBondContact CD2-OD2 3.14Å; H94-D96 IonicContact CE1-OD1 3.42Å; H94-D96 IonicContact NE2-OD1 3.63Å; H94-D96 IonicContact NE2-OD2 3.08Å; H94-D96 PolarHBondContact NE2-OD2 3.03Å; H94-D96 PolarHBondContact O-N 2.86Å; D96-L98 PolarHBondContact O-N 3Å; D96-L98 PolarHBondContact OD1-N 3.32Å; D96-H109 IonicContact OD2-CD2 3.79Å; D96-H109 IonicContact OD2-CE1 3.86Å; D96-H109 IonicContact OD2-NE2 3.54Å; D96-H109 PolarHBondContact OD2-NE2 3.12Å; D96-F111 HydrophobicContact CB-CE2 4.49Å; D96-F111 HydrophobicContact CB-CZ 3.93Å; D96-F111 WeakPolarHBondContact OD2-CZ 3.46Å; D96-H119 IonicContact OD2-CE1 2.77Å; D96-H119 PolarHBondContact OD2-CE1 2.63Å; D96-H119 IonicContact OD2-ND1 3.72Å; D96-H119 PolarHBondContact OD2-ND1 2.78Å |
| 97 | S | 91.5 | Very high | 95.1 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 80% | 0.797 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 66.8 | 9.4 | -175.8 | -46.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 98 | L | 91.7 | Very high | 95.1 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | trans | -124.5 | 70 | 174.6 | -65.2 | 175.5 | 0 | 0 | 0 | 109.5 | H94 D96 H109 F111 | H94-L98 PolarHBondContact CE1-O 3.32Å; D96-L98 PolarHBondContact O-N 3Å; D96-L98 PolarHBondContact OD1-N 3.32Å; L98-H109 PolarHBondContact O-CE1 3.39Å; L98-F111 HydrophobicContact CD1-CE1 4.11Å; L98-F111 HydrophobicContact CD1-CZ 3.95Å | ||
| 99 | P | 95 | Very high | 95 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 44% | 0.442 | 27% | 0.274 | S | S | . | . | trans | -63.1 | 143.7 | -177.9 | 29.2 | -36 | 0 | 0 | 0 | 111.2 | G92 D93 | G92-P99 WeakPolarHBondContact O-CA 3.5Å; D93-P99 HydrophobicContact CB-CB 4.32Å | ||
| 100 | F | 96.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | trans | -74.1 | 152.6 | 167.6 | -67.3 | -47.3 | 0 | 0 | 0 | 111.2 | A90 G92 H94 I106 H109 H119 F120 D121 | A90-F100 HydrophobicContact CB-CD2 4.33Å; A90-F100 HydrophobicContact CB-CE2 4.08Å; G92-F100 WeakPolarHBondContact CA-O 3.41Å; G92-F100 PolarHBondContact O-N 3.31Å; H94-F100 AromaticContact CE1-CD2 3.48Å; H94-F100 VanDerWaalsContact CE1-CD2 3.48Å; H94-F100 WeakPolarHBondContact CE1-CD2 3.36Å; H94-F100 AromaticContact CE1-CE2 3.46Å; H94-F100 VanDerWaalsContact CE1-CE2 3.46Å; H94-F100 WeakPolarHBondContact CE1-CE2 3.41Å; H94-F100 AromaticContact CE1-CG 3.95Å; H94-F100 AromaticContact CE1-CZ 3.9Å; H94-F100 AromaticContact ND1-CD2 3.81Å; H94-F100 AromaticContact NE2-CE2 3.82Å; F100-I106 HydrophobicContact CD1-CB 4.33Å; F100-I106 HydrophobicContact CD1-CG2 3.75Å; F100-I106 HydrophobicContact CE1-CG2 3.89Å; F100-H109 AromaticContact CE1-CE1 3.72Å; F100-H109 AromaticContact CE1-ND1 3.55Å; F100-H109 AromaticContact CZ-CE1 3.81Å; F100-H109 AromaticContact CZ-ND1 3.98Å; F100-H119 HydrophobicContact CE2-CB 3.99Å; F100-H119 HydrophobicContact CZ-CB 3.73Å; F100-F120 VanDerWaalsContact CE2-C 3.44Å; F100-F120 WeakPolarHBondContact CE2-O 3.4Å; F100-D121 HydrophobicContact CB-CB 4.07Å; F100-D121 WeakPolarHBondContact CB-OD2 3.44Å; F100-D121 HydrophobicContact CD1-CB 3.78Å; F100-D121 HydrophobicContact CD2-CB 3.76Å; F100-D121 HydrophobicContact CE1-CB 4.14Å; F100-D121 HydrophobicContact CE2-CB 4.1Å; F100-D121 HydrophobicContact CG-CB 3.6Å; F100-D121 HydrophobicContact CZ-CB 4.29Å | ||
| 101 | D | 94.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | trans | -106.9 | 7.4 | -174.6 | 56.8 | -22.6 | 0 | 0 | 0 | 113.9 | G105 I106 | D101-G105 WeakPolarHBondContact OD2-CA 3.31Å; D101-I106 WeakPolarHBondContact OD1-CB 3.37Å; D101-I106 PolarHBondContact OD1-N 3.24Å | ||
| 102 | G | 93.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 89.6 | -150.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A104 D121 | G102-A104 PolarHBondContact O-N 3.15Å; G102-D121 PolarHBondContact N-OD2 3.45Å |
| 103 | R | 93.1 | Very high | 94.5 | Very high | 189 Ų | 189 | 47.5 Ų | 47.5 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64.9 | 135 | -177.6 | -75.4 | -178.7 | 179.1 | -172.8 | 1.3 | 112.6 | D123 | R103-D123 WeakPolarHBondContact CG-O 3.37Å; R103-D123 PolarHBondContact NE-O 3.5Å |
| 104 | A | 89.1 | Confident | 94.3 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 61.7 | -177.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P5 G102 I106 E124 | P5-A104 HydrophobicContact CG-CB 4.09Å; G102-A104 PolarHBondContact O-N 3.15Å; A104-I106 PolarHBondContact O-N 3.13Å; A104-E124 WeakPolarHBondContact CA-OE1 3.37Å; A104-E124 VanDerWaalsContact N-CD 3.28Å; A104-E124 PolarHBondContact N-OE1 3.21Å; A104-E124 PolarHBondContact N-OE2 3.38Å |
| 105 | G | 93.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 77 | -116.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | M3 P5 R6 D101 V107 | M3-G105 PolarHBondContact O-N 3.48Å; P5-G105 CarbonylContact C-O 3.58Å; P5-G105 VanDerWaalsContact CA-O 3.27Å; P5-G105 WeakPolarHBondContact CA-O 3.48Å; R6-G105 WeakPolarHBondContact CG-O 3.28Å; R6-G105 PolarHBondContact N-O 3.34Å; D101-G105 WeakPolarHBondContact OD2-CA 3.31Å; G105-V107 PolarHBondContact O-N 3.43Å |
| 106 | I | 95.7 | Very high | 94.2 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 104.8 | -177.2 | -59.7 | 175 | 0 | 0 | 0 | 110.1 | R6 F100 D101 A104 | R6-I106 WeakPolarHBondContact O-CA 3.41Å; F100-I106 HydrophobicContact CD1-CB 4.33Å; F100-I106 HydrophobicContact CD1-CG2 3.75Å; F100-I106 HydrophobicContact CE1-CG2 3.89Å; D101-I106 WeakPolarHBondContact OD1-CB 3.37Å; D101-I106 PolarHBondContact OD1-N 3.24Å; A104-I106 PolarHBondContact O-N 3.13Å |
| 107 | V | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -28.5 | -177.1 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | P5 R6 G105 D121 E124 W126 I134 T139 | P5-V107 HydrophobicContact CB-CG1 3.45Å; P5-V107 VanDerWaalsContact CB-CG1 3.45Å; R6-V107 PolarHBondContact O-N 3.48Å; G105-V107 PolarHBondContact O-N 3.43Å; V107-D121 PolarHBondContact O-N 2.75Å; V107-E124 HydrophobicContact CB-CG 4.41Å; V107-E124 HydrophobicContact CG1-CG 4.4Å; V107-E124 WeakPolarHBondContact CG1-OE1 3.19Å; V107-W126 HydrophobicContact CB-CH2 4.24Å; V107-W126 WeakPolarHBondContact O-CH2 3.29Å; V107-W126 VanDerWaalsContact O-CZ2 3.31Å; V107-W126 WeakPolarHBondContact O-CZ2 3.31Å; V107-I134 HydrophobicContact CB-CG2 4.23Å; V107-I134 HydrophobicContact CG1-CD1 4.04Å; V107-I134 HydrophobicContact CG1-CG1 4.1Å; V107-I134 HydrophobicContact CG1-CG2 4.11Å; V107-T139 HydrophobicContact CG2-CG2 3.73Å |
| 108 | A | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 165.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G8 H119 F120 T139 E143 | G8-A108 PolarHBondContact N-O 3.09Å; A108-H119 WeakPolarHBondContact CA-O 3.29Å; A108-H119 VanDerWaalsContact CB-O 3.29Å; A108-H119 WeakPolarHBondContact CB-O 3.46Å; A108-F120 HydrophobicContact CB-CD1 3.81Å; A108-F120 HydrophobicContact CB-CE1 4.34Å; A108-T139 HydrophobicContact CB-CG2 3.72Å; A108-E143 HydrophobicContact CB-CG 3.66Å |
| 109 | H | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 139.4 | 162.8 | 52.2 | -111.4 | 0 | 0 | 0 | 112.2 | H94 D96 L98 F100 F111 L118 H119 E143 | H94-H109 AromaticContact CE1-CE1 3.58Å; H94-H109 AromaticContact NE2-CE1 3.33Å; H94-H109 PolarHBondContact NE2-CE1 2.87Å; H94-H109 VanDerWaalsContact NE2-CE1 3.33Å; H94-H109 AromaticContact NE2-NE2 3.36Å; H94-H109 PolarHBondContact NE2-NE2 3.27Å; D96-H109 IonicContact OD2-CD2 3.79Å; D96-H109 IonicContact OD2-CE1 3.86Å; D96-H109 IonicContact OD2-NE2 3.54Å; D96-H109 PolarHBondContact OD2-NE2 3.12Å; L98-H109 PolarHBondContact O-CE1 3.39Å; F100-H109 AromaticContact CE1-CE1 3.72Å; F100-H109 AromaticContact CE1-ND1 3.55Å; F100-H109 AromaticContact CZ-CE1 3.81Å; F100-H109 AromaticContact CZ-ND1 3.98Å; H109-F111 AromaticContact CD2-CE2 3.51Å; H109-F111 AromaticContact NE2-CE2 3.75Å; H109-L118 WeakPolarHBondContact O-CA 3.49Å; H109-H119 AromaticContact CD2-ND1 3.94Å; H109-H119 PolarHBondContact N-O 3.46Å; H109-H119 AromaticContact NE2-CG 3.82Å; H109-H119 AromaticContact NE2-ND1 3.22Å; H109-H119 PolarHBondContact NE2-ND1 2.88Å; H109-H119 PolarHBondContact O-N 3.32Å; H109-E143 VanDerWaalsContact C-OE2 3.26Å; H109-E143 VanDerWaalsContact CA-OE2 3.28Å; H109-E143 WeakPolarHBondContact CA-OE2 3.47Å |
| 110 | G | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N9 E143 H146 | N9-G110 PolarHBondContact ND2-O 3.33Å; G110-E143 PolarHBondContact N-OE2 2.99Å; G110-H146 VanDerWaalsContact O-CB 3.31Å; G110-H146 WeakPolarHBondContact O-CB 3.28Å |
| 111 | F | 94.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -79 | 144.9 | 175.8 | -69 | -96.4 | 0 | 0 | 0 | 111.4 | D96 L98 H109 N115 N117 H119 L147 | D96-F111 HydrophobicContact CB-CE2 4.49Å; D96-F111 HydrophobicContact CB-CZ 3.93Å; D96-F111 WeakPolarHBondContact OD2-CZ 3.46Å; L98-F111 HydrophobicContact CD1-CE1 4.11Å; L98-F111 HydrophobicContact CD1-CZ 3.95Å; H109-F111 AromaticContact CD2-CE2 3.51Å; H109-F111 AromaticContact NE2-CE2 3.75Å; F111-N115 HydrophobicContact CB-CB 3.73Å; F111-N115 VanDerWaalsContact CB-CG 3.44Å; F111-N115 WeakPolarHBondContact CB-OD1 3.42Å; F111-N115 HydrophobicContact CG-CB 4.49Å; F111-N117 HydrophobicContact CD2-CB 3.7Å; F111-N117 WeakPolarHBondContact CD2-O 3.34Å; F111-N117 HydrophobicContact CE2-CB 4.24Å; F111-N117 HydrophobicContact CG-CB 4.46Å; F111-N117 PolarHBondContact N-O 2.85Å; F111-H119 AromaticContact CE2-CE1 3.94Å; F111-L147 WeakPolarHBondContact O-CD2 3.4Å |
| 112 | Y | 94.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 158.5 | 177.1 | -63.9 | -74.5 | 0 | 0 | 0 | 112.8 | H24 N115 H146 L150 E151 | H24-Y112 HydrophobicContact CB-CD1 3.64Å; H24-Y112 HydrophobicContact CB-CE1 3.75Å; H24-Y112 HydrophobicContact CB-CG 4.14Å; H24-Y112 AromaticContact CD2-CD1 3.97Å; H24-Y112 AromaticContact CD2-CD2 3.83Å; H24-Y112 AromaticContact CD2-CG 3.54Å; H24-Y112 AromaticContact CE1-CD2 3.84Å; H24-Y112 AromaticContact CG-CD1 3.71Å; H24-Y112 AromaticContact CG-CD2 3.94Å; H24-Y112 AromaticContact CG-CE1 3.93Å; H24-Y112 AromaticContact CG-CG 3.7Å; H24-Y112 AromaticContact ND1-CD2 3.95Å; H24-Y112 AromaticContact ND1-CE2 3.88Å; H24-Y112 AromaticContact NE2-CD2 3.79Å; H24-Y112 AromaticContact NE2-CG 3.98Å; Y112-N115 WeakPolarHBondContact O-CB 3.36Å; Y112-N115 PolarHBondContact O-N 3.04Å; Y112-N115 VanDerWaalsContact O-N 3.09Å; Y112-H146 WeakPolarHBondContact CD1-O 3.2Å; Y112-H146 HydrophobicContact CE1-CB 4.33Å; Y112-H146 AromaticContact CE1-ND1 3.73Å; Y112-H146 AromaticContact CZ-ND1 3.8Å; Y112-H146 PolarHBondContact OH-ND1 2.93Å; Y112-L150 WeakPolarHBondContact CE1-O 3.35Å; Y112-E151 HydrophobicContact CE1-CG 4.15Å |
| 113 | P | 94.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 144.9 | 171 | -22.1 | 26.4 | 0 | 0 | 0 | 112.3 | A26 W28 H146 L147 | A26-P113 HydrophobicContact CB-CB 4.35Å; A26-P113 WeakPolarHBondContact CB-O 3.15Å; W28-P113 HydrophobicContact CD2-CB 4.18Å; W28-P113 HydrophobicContact CG-CB 4.25Å; W28-P113 HydrophobicContact CG-CG 4.43Å; W28-P113 HydrophobicContact CZ2-CB 4.45Å; P113-H146 WeakPolarHBondContact CD-O 3.37Å; P113-L147 WeakPolarHBondContact CD-O 3.34Å; P113-L147 VanDerWaalsContact CG-O 3.26Å; P113-L147 WeakPolarHBondContact CG-O 3.31Å |
| 114 | T | 92.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 22 Ų | 22 | 62% | 0.62 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -99.2 | 23.9 | -3.6 | 61 | 0 | 0 | 0 | 0 | 112.4 | W28 | W28-T114 HydrophobicContact CE3-CG2 3.97Å; W28-T114 HydrophobicContact CZ3-CG2 3.99Å |
| 115 | N | 93.7 | Very high | 95.9 | Very high | 76 Ų | 76 | 25.4 Ų | 25.4 | 41% | 0.406 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -56.1 | 178.6 | 176.6 | -57 | 0 | 0 | 0 | 109.7 | F111 Y112 N117 | F111-N115 HydrophobicContact CB-CB 3.73Å; F111-N115 VanDerWaalsContact CB-CG 3.44Å; F111-N115 WeakPolarHBondContact CB-OD1 3.42Å; F111-N115 HydrophobicContact CG-CB 4.49Å; Y112-N115 WeakPolarHBondContact O-CB 3.36Å; Y112-N115 PolarHBondContact O-N 3.04Å; Y112-N115 VanDerWaalsContact O-N 3.09Å; N115-N117 VanDerWaalsContact C-N 3.34Å; N115-N117 VanDerWaalsContact OD1-CB 3.27Å; N115-N117 WeakPolarHBondContact OD1-CB 3.28Å; N115-N117 VanDerWaalsContact OD1-CG 3.32Å; N115-N117 PolarHBondContact OD1-N 2.82Å; N115-N117 PolarHBondContact OD1-ND2 3.33Å; N115-N117 VanDerWaalsContact OD1-ND2 3.08Å |
| 116 | G | 93.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 81.1 | 5.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N84 I85 N86 | N84-G116 WeakPolarHBondContact O-CA 3.46Å; I85-G116 CarbonylContact C-O 3.45Å; I85-G116 WeakPolarHBondContact CA-O 3.37Å; I85-G116 WeakPolarHBondContact CG2-O 3.23Å; N86-G116 PolarHBondContact N-O 3.28Å | ||
| 117 | N | 96.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 26.5 Ų | 26.5 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142.2 | 175.3 | -66.6 | -34 | 0 | 0 | 0 | 111.9 | N86 F111 N115 L147 | N86-N117 WeakPolarHBondContact CB-OD1 3.46Å; N86-N117 CarbonylContact O-C 3.53Å; N86-N117 WeakPolarHBondContact O-CA 3.45Å; F111-N117 HydrophobicContact CD2-CB 3.7Å; F111-N117 WeakPolarHBondContact CD2-O 3.34Å; F111-N117 HydrophobicContact CE2-CB 4.24Å; F111-N117 HydrophobicContact CG-CB 4.46Å; F111-N117 PolarHBondContact N-O 2.85Å; N115-N117 VanDerWaalsContact C-N 3.34Å; N115-N117 VanDerWaalsContact OD1-CB 3.27Å; N115-N117 WeakPolarHBondContact OD1-CB 3.28Å; N115-N117 VanDerWaalsContact OD1-CG 3.32Å; N115-N117 PolarHBondContact OD1-N 2.82Å; N115-N117 PolarHBondContact OD1-ND2 3.33Å; N115-N117 VanDerWaalsContact OD1-ND2 3.08Å; N117-L147 WeakPolarHBondContact O-CD2 3.45Å |
| 118 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 119.5 | 171.1 | -171.4 | 177.6 | 0 | 0 | 0 | 108.2 | N86 I87 F88 H109 F120 E143 I144 L147 | N86-L118 PolarHBondContact O-N 2.84Å; I87-L118 VanDerWaalsContact CA-O 3.31Å; I87-L118 WeakPolarHBondContact CA-O 3.15Å; I87-L118 HydrophobicContact CG1-CB 4.25Å; I87-L118 HydrophobicContact CG2-CB 4.49Å; I87-L118 HydrophobicContact CG2-CD2 4.29Å; F88-L118 PolarHBondContact N-O 3.09Å; H109-L118 WeakPolarHBondContact O-CA 3.49Å; L118-F120 HydrophobicContact CD1-CE2 4.46Å; L118-F120 HydrophobicContact CD1-CZ 4.3Å; L118-F120 HydrophobicContact CD2-CD1 4.24Å; L118-F120 HydrophobicContact CD2-CD2 3.63Å; L118-F120 HydrophobicContact CD2-CE1 3.95Å; L118-F120 HydrophobicContact CD2-CE2 3.3Å; L118-F120 HydrophobicContact CD2-CG 4.1Å; L118-F120 HydrophobicContact CD2-CZ 3.47Å; L118-F120 VanDerWaalsContact CD2-CZ 3.47Å; L118-E143 HydrophobicContact CD1-CB 3.63Å; L118-E143 HydrophobicContact CD2-CB 4.08Å; L118-E143 HydrophobicContact CD2-CG 4.33Å; L118-E143 HydrophobicContact CG-CB 3.69Å; L118-E143 HydrophobicContact CG-CG 4.42Å; L118-I144 HydrophobicContact CD1-CG1 4.18Å; L118-L147 HydrophobicContact CB-CD1 4Å; L118-L147 HydrophobicContact CB-CD2 4.33Å; L118-L147 HydrophobicContact CB-CG 4.38Å; L118-L147 HydrophobicContact CD1-CD1 3.74Å; L118-L147 HydrophobicContact CD1-CG 4.48Å; L118-L147 HydrophobicContact CG-CD1 4.38Å |
| 119 | H | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.8 | 177.9 | -49.8 | 153.8 | 0 | 0 | 0 | 110.3 | F88 H94 D96 F100 A108 H109 F111 | F88-H119 AromaticContact CD1-CD2 3.6Å; F88-H119 AromaticContact CD1-NE2 3.87Å; F88-H119 AromaticContact CE1-CD2 3.13Å; F88-H119 WeakPolarHBondContact CE1-CD2 3.48Å; F88-H119 AromaticContact CE1-CE1 3.86Å; F88-H119 AromaticContact CE1-NE2 2.95Å; F88-H119 WeakPolarHBondContact CE1-NE2 3.46Å; F88-H119 AromaticContact CE2-CD2 3.78Å; F88-H119 AromaticContact CZ-CD2 3.23Å; F88-H119 WeakPolarHBondContact CZ-CD2 3.43Å; F88-H119 AromaticContact CZ-CE1 3.5Å; F88-H119 AromaticContact CZ-CG 3.82Å; F88-H119 AromaticContact CZ-ND1 3.93Å; F88-H119 AromaticContact CZ-NE2 3.06Å; F88-H119 WeakPolarHBondContact CZ-NE2 3.46Å; F88-H119 WeakPolarHBondContact O-CA 3.5Å; H94-H119 AromaticContact CD2-CE1 3.86Å; H94-H119 AromaticContact CD2-CG 3.95Å; H94-H119 AromaticContact CD2-ND1 3.18Å; H94-H119 PolarHBondContact CD2-ND1 3.15Å; H94-H119 AromaticContact NE2-CG 3.74Å; H94-H119 AromaticContact NE2-ND1 3.03Å; H94-H119 PolarHBondContact NE2-ND1 3.26Å; D96-H119 IonicContact OD2-CE1 2.77Å; D96-H119 PolarHBondContact OD2-CE1 2.63Å; D96-H119 IonicContact OD2-ND1 3.72Å; D96-H119 PolarHBondContact OD2-ND1 2.78Å; F100-H119 HydrophobicContact CE2-CB 3.99Å; F100-H119 HydrophobicContact CZ-CB 3.73Å; A108-H119 WeakPolarHBondContact CA-O 3.29Å; A108-H119 VanDerWaalsContact CB-O 3.29Å; A108-H119 WeakPolarHBondContact CB-O 3.46Å; H109-H119 AromaticContact CD2-ND1 3.94Å; H109-H119 PolarHBondContact N-O 3.46Å; H109-H119 AromaticContact NE2-CG 3.82Å; H109-H119 AromaticContact NE2-ND1 3.22Å; H109-H119 PolarHBondContact NE2-ND1 2.88Å; H109-H119 PolarHBondContact O-N 3.32Å; F111-H119 AromaticContact CE2-CE1 3.94Å |
| 120 | F | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.5 | 170.2 | -66.1 | -79.5 | 0 | 0 | 0 | 109.6 | L56 I87 F88 F89 A90 F100 A108 L118 A122 W126 L136 T139 A140 | L56-F120 HydrophobicContact CD2-CE2 4.44Å; L56-F120 HydrophobicContact CD2-CZ 4.48Å; I87-F120 HydrophobicContact CG2-CD2 4.1Å; I87-F120 HydrophobicContact CG2-CE2 3.67Å; F88-F120 PolarHBondContact O-N 2.77Å; F89-F120 WeakPolarHBondContact CA-O 3.44Å; F89-F120 HydrophobicContact CD1-CB 3.64Å; F89-F120 HydrophobicContact CD2-CB 4.33Å; F89-F120 HydrophobicContact CD2-CD2 4.29Å; F89-F120 HydrophobicContact CE1-CB 3.59Å; F89-F120 HydrophobicContact CE1-CD2 4.46Å; F89-F120 HydrophobicContact CE1-CG 4.15Å; F89-F120 HydrophobicContact CE2-CB 4.26Å; F89-F120 AromaticContact CE2-CD2 3.8Å; F89-F120 HydrophobicContact CE2-CD2 3.8Å; F89-F120 HydrophobicContact CE2-CG 4.3Å; F89-F120 HydrophobicContact CG-CB 4.04Å; F89-F120 HydrophobicContact CZ-CB 3.92Å; F89-F120 AromaticContact CZ-CD2 3.91Å; F89-F120 HydrophobicContact CZ-CD2 3.91Å; F89-F120 HydrophobicContact CZ-CG 4Å; A90-F120 PolarHBondContact N-O 2.84Å; F100-F120 VanDerWaalsContact CE2-C 3.44Å; F100-F120 WeakPolarHBondContact CE2-O 3.4Å; A108-F120 HydrophobicContact CB-CD1 3.81Å; A108-F120 HydrophobicContact CB-CE1 4.34Å; L118-F120 HydrophobicContact CD1-CE2 4.46Å; L118-F120 HydrophobicContact CD1-CZ 4.3Å; L118-F120 HydrophobicContact CD2-CD1 4.24Å; L118-F120 HydrophobicContact CD2-CD2 3.63Å; L118-F120 HydrophobicContact CD2-CE1 3.95Å; L118-F120 HydrophobicContact CD2-CE2 3.3Å; L118-F120 HydrophobicContact CD2-CG 4.1Å; L118-F120 HydrophobicContact CD2-CZ 3.47Å; L118-F120 VanDerWaalsContact CD2-CZ 3.47Å; F120-A122 PolarHBondContact O-N 2.93Å; F120-W126 HydrophobicContact CB-CH2 4.3Å; F120-W126 HydrophobicContact CB-CZ2 3.75Å; F120-W126 AromaticContact CD1-CH2 3.54Å; F120-W126 HydrophobicContact CD1-CH2 3.54Å; F120-W126 AromaticContact CD1-CZ2 3.88Å; F120-W126 HydrophobicContact CD1-CZ2 3.88Å; F120-W126 HydrophobicContact CD1-CZ3 4.1Å; F120-W126 HydrophobicContact CE1-CH2 4.35Å; F120-W126 HydrophobicContact CG-CH2 4.36Å; F120-W126 HydrophobicContact CG-CZ2 4.26Å; F120-L136 HydrophobicContact CD1-CD1 4.12Å; F120-L136 HydrophobicContact CE1-CD1 3.92Å; F120-L136 HydrophobicContact CZ-CD1 4.14Å; F120-T139 HydrophobicContact CD1-CG2 4.31Å; F120-T139 HydrophobicContact CE1-CG2 4.06Å; F120-A140 HydrophobicContact CE1-CB 4.37Å; F120-A140 HydrophobicContact CZ-CB 3.91Å |
| 121 | D | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 117.3 | 173.3 | -172.3 | -5.1 | 0 | 0 | 0 | 110.4 | F100 G102 V107 D123 E124 W126 | F100-D121 HydrophobicContact CB-CB 4.07Å; F100-D121 WeakPolarHBondContact CB-OD2 3.44Å; F100-D121 HydrophobicContact CD1-CB 3.78Å; F100-D121 HydrophobicContact CD2-CB 3.76Å; F100-D121 HydrophobicContact CE1-CB 4.14Å; F100-D121 HydrophobicContact CE2-CB 4.1Å; F100-D121 HydrophobicContact CG-CB 3.6Å; F100-D121 HydrophobicContact CZ-CB 4.29Å; G102-D121 PolarHBondContact N-OD2 3.45Å; V107-D121 PolarHBondContact O-N 2.75Å; D121-D123 PolarHBondContact O-N 3.02Å; D121-D123 WeakPolarHBondContact OD1-CB 3.27Å; D121-D123 PolarHBondContact OD1-N 2.71Å; D121-E124 HydrophobicContact CB-CG 3.93Å; D121-E124 PolarHBondContact O-N 3.02Å; D121-W126 WeakPolarHBondContact O-CZ2 3.4Å; D121-W126 PolarHBondContact O-NE1 3.39Å |
| 122 | A | 97.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L43 F89 A90 R91 F120 | L43-A122 HydrophobicContact CB-CB 4.44Å; L43-A122 HydrophobicContact CD1-CB 3.65Å; L43-A122 HydrophobicContact CG-CB 4.42Å; F89-A122 HydrophobicContact CB-CB 4.05Å; F89-A122 HydrophobicContact CD1-CB 4.39Å; A90-A122 WeakPolarHBondContact O-CB 3.21Å; A90-A122 PolarHBondContact O-N 3.1Å; R91-A122 HydrophobicContact CG-CB 3.78Å; F120-A122 PolarHBondContact O-N 2.93Å |
| 123 | D | 97.2 | Very high | 94.8 | Very high | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.6 | 172.2 | -72 | -34.6 | 0 | 0 | 0 | 112.7 | R91 R103 D121 | R91-D123 WeakPolarHBondContact CD-OD1 3.4Å; R91-D123 IonicContact CZ-OD1 2.93Å; R91-D123 IonicContact NE-OD1 2.74Å; R91-D123 PolarHBondContact NE-OD1 3.43Å; R91-D123 IonicContact NH2-OD1 3.34Å; R103-D123 WeakPolarHBondContact CG-O 3.37Å; R103-D123 PolarHBondContact NE-O 3.5Å; D121-D123 PolarHBondContact O-N 3.02Å; D121-D123 WeakPolarHBondContact OD1-CB 3.27Å; D121-D123 PolarHBondContact OD1-N 2.71Å |
| 124 | E | 96.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -71.7 | 146.6 | 178.7 | -61.6 | -68.3 | -161 | 0 | 0 | 113.7 | A104 V107 D121 W126 I134 | A104-E124 WeakPolarHBondContact CA-OE1 3.37Å; A104-E124 VanDerWaalsContact N-CD 3.28Å; A104-E124 PolarHBondContact N-OE1 3.21Å; A104-E124 PolarHBondContact N-OE2 3.38Å; V107-E124 HydrophobicContact CB-CG 4.41Å; V107-E124 HydrophobicContact CG1-CG 4.4Å; V107-E124 WeakPolarHBondContact CG1-OE1 3.19Å; D121-E124 HydrophobicContact CB-CG 3.93Å; D121-E124 PolarHBondContact O-N 3.02Å; E124-W126 VanDerWaalsContact C-N 3.34Å; E124-W126 HydrophobicContact CB-CD2 4.47Å; E124-W126 HydrophobicContact CB-CZ2 4.07Å; E124-W126 HydrophobicContact CG-CZ2 4.36Å; E124-W126 VanDerWaalsContact O-CD1 3.25Å; E124-W126 PolarHBondContact O-N 2.93Å; E124-I134 HydrophobicContact CB-CG1 4.17Å; E124-I134 HydrophobicContact CG-CG1 4.37Å |
| 125 | Q | 95.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | trans | -79.8 | 83.7 | 171.6 | -176 | 179.4 | -41.2 | 0 | 0 | 109.6 | T127 D132 G133 I134 | Q125-T127 HydrophobicContact CG-CG2 4.35Å; Q125-T127 PolarHBondContact O-N 2.73Å; Q125-D132 PolarHBondContact NE2-OD2 3.11Å; Q125-G133 CarbonylContact O-C 3.59Å; Q125-G133 VanDerWaalsContact O-CA 3.31Å; Q125-G133 WeakPolarHBondContact O-CA 3.48Å; Q125-I134 PolarHBondContact O-N 3.43Å | ||
| 126 | W | 96.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 41 Ų | 41 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.1 | 178.5 | -64.6 | 99.3 | 0 | 0 | 0 | 112.4 | F89 V107 F120 D121 E124 I134 L136 T139 | F89-W126 AromaticContact CD1-NE1 3.94Å; F89-W126 AromaticContact CE1-CD1 3.77Å; F89-W126 HydrophobicContact CE1-CD2 4.3Å; F89-W126 AromaticContact CE1-CE2 3.88Å; F89-W126 HydrophobicContact CE1-CG 4.23Å; F89-W126 AromaticContact CE1-NE1 3.51Å; V107-W126 HydrophobicContact CB-CH2 4.24Å; V107-W126 WeakPolarHBondContact O-CH2 3.29Å; V107-W126 VanDerWaalsContact O-CZ2 3.31Å; V107-W126 WeakPolarHBondContact O-CZ2 3.31Å; F120-W126 HydrophobicContact CB-CH2 4.3Å; F120-W126 HydrophobicContact CB-CZ2 3.75Å; F120-W126 AromaticContact CD1-CH2 3.54Å; F120-W126 HydrophobicContact CD1-CH2 3.54Å; F120-W126 AromaticContact CD1-CZ2 3.88Å; F120-W126 HydrophobicContact CD1-CZ2 3.88Å; F120-W126 HydrophobicContact CD1-CZ3 4.1Å; F120-W126 HydrophobicContact CE1-CH2 4.35Å; F120-W126 HydrophobicContact CG-CH2 4.36Å; F120-W126 HydrophobicContact CG-CZ2 4.26Å; D121-W126 WeakPolarHBondContact O-CZ2 3.4Å; D121-W126 PolarHBondContact O-NE1 3.39Å; E124-W126 VanDerWaalsContact C-N 3.34Å; E124-W126 HydrophobicContact CB-CD2 4.47Å; E124-W126 HydrophobicContact CB-CZ2 4.07Å; E124-W126 HydrophobicContact CG-CZ2 4.36Å; E124-W126 VanDerWaalsContact O-CD1 3.25Å; E124-W126 PolarHBondContact O-N 2.93Å; W126-I134 CarbonylContact C-O 3.53Å; W126-I134 WeakPolarHBondContact CA-O 3.45Å; W126-I134 HydrophobicContact CE3-CB 4.18Å; W126-I134 HydrophobicContact CE3-CG2 3.94Å; W126-I134 HydrophobicContact CH2-CG2 3.99Å; W126-I134 HydrophobicContact CZ3-CB 4.18Å; W126-I134 HydrophobicContact CZ3-CG2 3.46Å; W126-I134 VanDerWaalsContact CZ3-CG2 3.46Å; W126-L136 HydrophobicContact CD2-CD1 4.09Å; W126-L136 HydrophobicContact CE3-CB 3.85Å; W126-L136 HydrophobicContact CE3-CD1 3.67Å; W126-L136 HydrophobicContact CE3-CG 4.38Å; W126-L136 HydrophobicContact CZ3-CD1 3.99Å; W126-T139 HydrophobicContact CH2-CG2 3.92Å; W126-T139 HydrophobicContact CZ3-CG2 4Å |
| 127 | T | 96.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 167.6 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | Q125 M130 D132 I134 N135 L136 | Q125-T127 HydrophobicContact CG-CG2 4.35Å; Q125-T127 PolarHBondContact O-N 2.73Å; T127-M130 HydrophobicContact CG2-CB 4.17Å; T127-M130 HydrophobicContact CG2-SD 4.35Å; T127-M130 PolarHBondContact OG1-O 3.47Å; T127-D132 WeakPolarHBondContact CG2-O 3.49Å; T127-D132 PolarHBondContact OG1-O 3.07Å; T127-I134 PolarHBondContact N-O 3.32Å; T127-N135 CarbonylContact O-C 3.53Å; T127-N135 WeakPolarHBondContact O-CA 3.27Å; T127-L136 PolarHBondContact O-N 2.81Å |
| 128 | L | 94.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -120.2 | -33.4 | 177.1 | -76.1 | 175.4 | 0 | 0 | 0 | 113.9 | I51 T55 N135 L136 Y167 | I51-L128 HydrophobicContact CG2-CD1 3.48Å; I51-L128 VanDerWaalsContact CG2-CD1 3.48Å; I51-L128 HydrophobicContact CG2-CG 4.45Å; T55-L128 HydrophobicContact CG2-CD2 3.95Å; L128-N135 VanDerWaalsContact C-ND2 3.27Å; L128-N135 PolarHBondContact O-ND2 2.93Å; L128-L136 HydrophobicContact CD2-CB 4.1Å; L128-Y167 WeakPolarHBondContact O-CE2 3.46Å |
| 129 | Y | 92.3 | Very high | 95.6 | Very high | 159 Ų | 159 | 39.7 Ų | 39.7 | 62% | 0.624 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -136.8 | 16.8 | -172 | -51.7 | -65.3 | 0 | 0 | 0 | 112.6 | Y167 | Y129-Y167 HydrophobicContact CD1-CE2 4.39Š|
| 130 | M | 91.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 39.5 Ų | 39.5 | 61% | 0.611 | 21% | 0.21 | S | C | * | . | trans | -112.4 | 142.1 | -178.7 | -63.4 | -179.2 | 177.3 | 0 | 0 | 109.6 | T127 D132 Y167 | T127-M130 HydrophobicContact CG2-CB 4.17Å; T127-M130 HydrophobicContact CG2-SD 4.35Å; T127-M130 PolarHBondContact OG1-O 3.47Å; M130-D132 VanDerWaalsContact C-N 3.28Å; M130-Y167 WeakPolarHBondContact O-CB 3.13Å | ||
| 131 | A | 87 | Confident | 95.6 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -71.9 | -27.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 132 | D | 89.6 | Confident | 95.6 | Very high | 113 Ų | 113 | 40.1 Ų | 40.1 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -85.1 | 142.4 | 172.8 | -173.3 | 32.9 | 0 | 0 | 0 | 110.9 | Q125 T127 M130 | Q125-D132 PolarHBondContact NE2-OD2 3.11Å; T127-D132 WeakPolarHBondContact CG2-O 3.49Å; T127-D132 PolarHBondContact OG1-O 3.07Å; M130-D132 VanDerWaalsContact C-N 3.28Å |
| 133 | G | 93.2 | Very high | 95.6 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 84.6 | -172.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q125 | Q125-G133 CarbonylContact O-C 3.59Å; Q125-G133 VanDerWaalsContact O-CA 3.31Å; Q125-G133 WeakPolarHBondContact O-CA 3.48Å |
| 134 | I | 95.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.4 | -177.3 | -55.2 | -56.9 | 0 | 0 | 0 | 109.6 | P5 V107 E124 Q125 W126 T127 L136 | P5-I134 HydrophobicContact CB-CD1 3.64Å; P5-I134 HydrophobicContact CG-CD1 3.75Å; V107-I134 HydrophobicContact CB-CG2 4.23Å; V107-I134 HydrophobicContact CG1-CD1 4.04Å; V107-I134 HydrophobicContact CG1-CG1 4.1Å; V107-I134 HydrophobicContact CG1-CG2 4.11Å; E124-I134 HydrophobicContact CB-CG1 4.17Å; E124-I134 HydrophobicContact CG-CG1 4.37Å; Q125-I134 PolarHBondContact O-N 3.43Å; W126-I134 CarbonylContact C-O 3.53Å; W126-I134 WeakPolarHBondContact CA-O 3.45Å; W126-I134 HydrophobicContact CE3-CB 4.18Å; W126-I134 HydrophobicContact CE3-CG2 3.94Å; W126-I134 HydrophobicContact CH2-CG2 3.99Å; W126-I134 HydrophobicContact CZ3-CB 4.18Å; W126-I134 HydrophobicContact CZ3-CG2 3.46Å; W126-I134 VanDerWaalsContact CZ3-CG2 3.46Å; T127-I134 PolarHBondContact N-O 3.32Å; I134-L136 PolarHBondContact O-N 3.02Å |
| 135 | N | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 115.1 | -179.3 | -167 | -80.7 | 0 | 0 | 0 | 111.7 | T127 L128 Y137 Q138 T139 Y167 | T127-N135 CarbonylContact O-C 3.53Å; T127-N135 WeakPolarHBondContact O-CA 3.27Å; L128-N135 VanDerWaalsContact C-ND2 3.27Å; L128-N135 PolarHBondContact O-ND2 2.93Å; N135-Y137 VanDerWaalsContact C-N 3.33Å; N135-Y137 PolarHBondContact O-N 2.91Å; N135-Y137 WeakPolarHBondContact OD1-CB 3.21Å; N135-Y137 PolarHBondContact OD1-N 2.83Å; N135-Q138 HydrophobicContact CB-CB 4.16Å; N135-Q138 HydrophobicContact CB-CG 3.99Å; N135-Q138 PolarHBondContact O-N 3.37Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.4Å; N135-Q138 PolarHBondContact OD1-N 2.87Å; N135-T139 WeakPolarHBondContact O-CB 3.46Å; N135-T139 PolarHBondContact O-N 3.32Å; N135-T139 VanDerWaalsContact O-N 3.09Å; N135-T139 PolarHBondContact O-OG1 3.47Å; N135-Y167 WeakPolarHBondContact ND2-CD2 3.49Å |
| 136 | L | 97.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | -177.7 | -179.4 | 64.7 | 0 | 0 | 0 | 112.1 | V52 T55 F89 F120 W126 T127 L128 I134 A140 | V52-L136 HydrophobicContact CB-CD2 4.45Å; V52-L136 HydrophobicContact CG2-CD2 3.89Å; T55-L136 HydrophobicContact CG2-CB 4.46Å; T55-L136 HydrophobicContact CG2-CD2 4.13Å; T55-L136 HydrophobicContact CG2-CG 3.98Å; F89-L136 HydrophobicContact CZ-CD1 3.98Å; F120-L136 HydrophobicContact CD1-CD1 4.12Å; F120-L136 HydrophobicContact CE1-CD1 3.92Å; F120-L136 HydrophobicContact CZ-CD1 4.14Å; W126-L136 HydrophobicContact CD2-CD1 4.09Å; W126-L136 HydrophobicContact CE3-CB 3.85Å; W126-L136 HydrophobicContact CE3-CD1 3.67Å; W126-L136 HydrophobicContact CE3-CG 4.38Å; W126-L136 HydrophobicContact CZ3-CD1 3.99Å; T127-L136 PolarHBondContact O-N 2.81Å; L128-L136 HydrophobicContact CD2-CB 4.1Å; I134-L136 PolarHBondContact O-N 3.02Å; L136-A140 WeakPolarHBondContact O-CB 3.31Å; L136-A140 PolarHBondContact O-N 3.16Å |
| 137 | Y | 98 | Very high | 95.8 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -48.1 | -179.5 | 178.7 | -110.1 | 0 | 0 | 0 | 112.1 | T55 R58 A59 D62 N135 T139 A140 M141 F171 | T55-Y137 HydrophobicContact CG2-CD2 4.02Å; T55-Y137 HydrophobicContact CG2-CG 4.47Å; R58-Y137 HydrophobicContact CB-CD2 4.47Å; R58-Y137 HydrophobicContact CB-CE2 3.92Å; R58-Y137 HydrophobicContact CG-CD2 4.31Å; R58-Y137 HydrophobicContact CG-CE2 3.48Å; R58-Y137 VanDerWaalsContact CG-CE2 3.48Å; R58-Y137 VanDerWaalsContact NE-CZ 3.28Å; R58-Y137 PolarHBondContact NE-OH 3.07Å; A59-Y137 HydrophobicContact CB-CD2 4.31Å; A59-Y137 HydrophobicContact CB-CE2 3.98Å; D62-Y137 PolarHBondContact OD2-OH 3.47Å; N135-Y137 VanDerWaalsContact C-N 3.33Å; N135-Y137 PolarHBondContact O-N 2.91Å; N135-Y137 WeakPolarHBondContact OD1-CB 3.21Å; N135-Y137 PolarHBondContact OD1-N 2.83Å; Y137-T139 VanDerWaalsContact C-N 3.3Å; Y137-T139 PolarHBondContact O-N 2.91Å; Y137-A140 PolarHBondContact O-N 3.3Å; Y137-M141 HydrophobicContact CD1-CG 4.39Å; Y137-M141 HydrophobicContact CD2-CG 4.29Å; Y137-M141 HydrophobicContact CE1-CG 4Å; Y137-M141 HydrophobicContact CE2-CG 3.88Å; Y137-M141 HydrophobicContact CE2-SD 4.27Å; Y137-M141 WeakPolarHBondContact O-CB 3.22Å; Y137-M141 VanDerWaalsContact O-CG 3.23Å; Y137-M141 WeakPolarHBondContact O-CG 3.44Å; Y137-M141 PolarHBondContact O-N 3.43Å; Y137-F171 HydrophobicContact CD1-CD1 4.16Å; Y137-F171 AromaticContact CE1-CD1 3.97Å; Y137-F171 HydrophobicContact CE1-CD1 3.97Å; Y137-F171 HydrophobicContact CE1-CE1 4.45Å |
| 138 | Q | 98 | Very high | 95.8 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 179.4 | -60.1 | -175.1 | 154.8 | 0 | 0 | 111.2 | N135 M141 H142 R165 P166 F171 | N135-Q138 HydrophobicContact CB-CB 4.16Å; N135-Q138 HydrophobicContact CB-CG 3.99Å; N135-Q138 PolarHBondContact O-N 3.37Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.4Å; N135-Q138 PolarHBondContact OD1-N 2.87Å; Q138-M141 PolarHBondContact O-N 2.97Å; Q138-H142 PolarHBondContact O-N 3.06Å; Q138-H142 VanDerWaalsContact O-N 3.11Å; Q138-R165 PolarHBondContact NE2-O 3.34Å; Q138-P166 PolarHBondContact NE2-O 2.9Å; Q138-P166 VanDerWaalsContact NE2-O 3.07Å; Q138-F171 HydrophobicContact CB-CD1 4.4Å; Q138-F171 HydrophobicContact CB-CD2 4.37Å; Q138-F171 HydrophobicContact CB-CE1 4.03Å; Q138-F171 HydrophobicContact CB-CE2 3.99Å; Q138-F171 HydrophobicContact CB-CZ 3.78Å; Q138-F171 HydrophobicContact CG-CB 4.26Å; Q138-F171 HydrophobicContact CG-CD1 3.78Å; Q138-F171 HydrophobicContact CG-CD2 3.76Å; Q138-F171 HydrophobicContact CG-CE1 3.93Å; Q138-F171 HydrophobicContact CG-CE2 3.91Å; Q138-F171 HydrophobicContact CG-CG 3.67Å; Q138-F171 HydrophobicContact CG-CZ 3.96Å |
| 139 | T | 97.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.4 | -46.9 | 178 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | V107 A108 F120 W126 N135 Y137 M141 H142 E143 N164 | V107-T139 HydrophobicContact CG2-CG2 3.73Å; A108-T139 HydrophobicContact CB-CG2 3.72Å; F120-T139 HydrophobicContact CD1-CG2 4.31Å; F120-T139 HydrophobicContact CE1-CG2 4.06Å; W126-T139 HydrophobicContact CH2-CG2 3.92Å; W126-T139 HydrophobicContact CZ3-CG2 4Å; N135-T139 WeakPolarHBondContact O-CB 3.46Å; N135-T139 PolarHBondContact O-N 3.32Å; N135-T139 VanDerWaalsContact O-N 3.09Å; N135-T139 PolarHBondContact O-OG1 3.47Å; Y137-T139 VanDerWaalsContact C-N 3.3Å; Y137-T139 PolarHBondContact O-N 2.91Å; T139-M141 VanDerWaalsContact C-N 3.29Å; T139-M141 PolarHBondContact O-N 3.4Å; T139-H142 WeakPolarHBondContact O-CB 3.48Å; T139-H142 PolarHBondContact O-N 3.17Å; T139-E143 HydrophobicContact CG2-CG 4.31Å; T139-E143 WeakPolarHBondContact O-CG 3.45Å; T139-E143 PolarHBondContact O-N 3.25Å; T139-N164 PolarHBondContact OG1-ND2 3.48Å; T139-N164 VanDerWaalsContact OG1-ND2 3.12Å |
| 140 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.4 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L56 A59 F120 L136 Y137 H142 E143 I144 | L56-A140 HydrophobicContact CD2-CB 4.15Å; A59-A140 HydrophobicContact CB-CB 4.27Å; F120-A140 HydrophobicContact CE1-CB 4.37Å; F120-A140 HydrophobicContact CZ-CB 3.91Å; L136-A140 WeakPolarHBondContact O-CB 3.31Å; L136-A140 PolarHBondContact O-N 3.16Å; Y137-A140 PolarHBondContact O-N 3.3Å; A140-H142 VanDerWaalsContact C-N 3.32Å; A140-H142 PolarHBondContact O-N 2.63Å; A140-E143 PolarHBondContact O-N 2.87Å; A140-I144 VanDerWaalsContact O-CB 3.31Å; A140-I144 WeakPolarHBondContact O-CB 3.38Å; A140-I144 WeakPolarHBondContact O-CD1 3.29Å; A140-I144 WeakPolarHBondContact O-CG1 3.48Å; A140-I144 PolarHBondContact O-N 2.83Å |
| 141 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.2 | -43.7 | 174.5 | -78.3 | -71.3 | -75.8 | 0 | 0 | 111.8 | A59 D62 W63 Y137 Q138 T139 G145 V159 F171 L173 | A59-M141 VanDerWaalsContact CA-SD 3.51Å; A59-M141 HydrophobicContact CB-CG 3.92Å; A59-M141 HydrophobicContact CB-SD 3.67Å; D62-M141 HydrophobicContact CB-CE 3.7Å; D62-M141 HydrophobicContact CB-SD 3.86Å; W63-M141 VanDerWaalsContact CZ2-O 3.26Å; W63-M141 WeakPolarHBondContact CZ2-O 3.47Å; W63-M141 PolarHBondContact NE1-O 3.18Å; Y137-M141 HydrophobicContact CD1-CG 4.39Å; Y137-M141 HydrophobicContact CD2-CG 4.29Å; Y137-M141 HydrophobicContact CE1-CG 4Å; Y137-M141 HydrophobicContact CE2-CG 3.88Å; Y137-M141 HydrophobicContact CE2-SD 4.27Å; Y137-M141 WeakPolarHBondContact O-CB 3.22Å; Y137-M141 VanDerWaalsContact O-CG 3.23Å; Y137-M141 WeakPolarHBondContact O-CG 3.44Å; Y137-M141 PolarHBondContact O-N 3.43Å; Q138-M141 PolarHBondContact O-N 2.97Å; T139-M141 VanDerWaalsContact C-N 3.29Å; T139-M141 PolarHBondContact O-N 3.4Å; M141-G145 PolarHBondContact O-N 3.16Å; M141-V159 HydrophobicContact CB-CG1 3.87Å; M141-F171 HydrophobicContact CB-CE1 3.81Å; M141-F171 HydrophobicContact CB-CZ 4.3Å; M141-F171 HydrophobicContact CG-CE1 4Å; M141-L173 HydrophobicContact CE-CD1 3.92Å; M141-L173 HydrophobicContact CE-CD2 3.81Å; M141-L173 HydrophobicContact CE-CG 3.52Å |
| 142 | H | 98 | Very high | 96.4 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 6% | 0.06 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.7 | -55.8 | 175.8 | -175.1 | 101.4 | 0 | 0 | 0 | 112.2 | C7 Q138 T139 A140 I144 G145 H146 H152 V159 M160 F161 | C7-H142 WeakPolarHBondContact CB-NE2 3.12Å; Q138-H142 PolarHBondContact O-N 3.06Å; Q138-H142 VanDerWaalsContact O-N 3.11Å; T139-H142 WeakPolarHBondContact O-CB 3.48Å; T139-H142 PolarHBondContact O-N 3.17Å; A140-H142 VanDerWaalsContact C-N 3.32Å; A140-H142 PolarHBondContact O-N 2.63Å; H142-I144 VanDerWaalsContact C-N 3.3Å; H142-I144 PolarHBondContact O-N 3.17Å; H142-G145 WeakPolarHBondContact O-CA 3.46Å; H142-G145 PolarHBondContact O-N 2.93Å; H142-H146 AromaticContact CD2-CD2 3.8Å; H142-H146 AromaticContact CD2-NE2 3.67Å; H142-H146 AromaticContact NE2-CD2 3.83Å; H142-H146 AromaticContact NE2-NE2 3.19Å; H142-H146 PolarHBondContact NE2-NE2 3.36Å; H142-H146 VanDerWaalsContact NE2-NE2 3.19Å; H142-H146 PolarHBondContact O-N 3.41Å; H142-H152 AromaticContact CE1-CD2 3.46Å; H142-H152 PolarHBondContact CE1-CD2 2.86Å; H142-H152 VanDerWaalsContact CE1-CD2 3.46Å; H142-H152 AromaticContact CE1-NE2 3.69Å; H142-H152 AromaticContact NE2-CD2 3.39Å; H142-H152 PolarHBondContact NE2-CD2 2.83Å; H142-H152 AromaticContact NE2-NE2 3.23Å; H142-H152 PolarHBondContact NE2-NE2 2.97Å; H142-V159 HydrophobicContact CB-CG1 4.37Å; H142-V159 PolarHBondContact ND1-O 3.06Å; H142-M160 VanDerWaalsContact O-SD 3.38Å; H142-F161 PolarHBondContact CE1-O 3.15Å; H142-F161 PolarHBondContact ND1-O 3.01Å |
| 143 | E | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 6.6 Ų | 6.6 | 1% | 0.009 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.5 | -32 | -174.6 | -58.8 | -48.1 | 141.7 | 0 | 0 | 112.8 | C7 A108 H109 G110 L118 T139 A140 G145 H146 L147 | C7-E143 WeakPolarHBondContact CB-OE1 3.36Å; C7-E143 PolarHBondContact SG-OE1 3.17Å; A108-E143 HydrophobicContact CB-CG 3.66Å; H109-E143 VanDerWaalsContact C-OE2 3.26Å; H109-E143 VanDerWaalsContact CA-OE2 3.28Å; H109-E143 WeakPolarHBondContact CA-OE2 3.47Å; G110-E143 PolarHBondContact N-OE2 2.99Å; L118-E143 HydrophobicContact CD1-CB 3.63Å; L118-E143 HydrophobicContact CD2-CB 4.08Å; L118-E143 HydrophobicContact CD2-CG 4.33Å; L118-E143 HydrophobicContact CG-CB 3.69Å; L118-E143 HydrophobicContact CG-CG 4.42Å; T139-E143 HydrophobicContact CG2-CG 4.31Å; T139-E143 WeakPolarHBondContact O-CG 3.45Å; T139-E143 PolarHBondContact O-N 3.25Å; A140-E143 PolarHBondContact O-N 2.87Å; E143-G145 PolarHBondContact O-N 3Å; E143-H146 WeakPolarHBondContact O-CB 3.36Å; E143-H146 PolarHBondContact O-N 2.78Å; E143-H146 VanDerWaalsContact O-N 3.15Å; E143-H146 IonicContact OE2-CD2 3.58Å; E143-H146 PolarHBondContact OE2-CD2 2.78Å; E143-L147 PolarHBondContact O-N 3.22Å |
| 144 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.3 | -33.2 | 171.4 | -68.2 | 164.7 | 0 | 0 | 0 | 110.8 | A59 F60 W63 L118 A140 H142 H146 L147 L148 | A59-I144 HydrophobicContact CB-CD1 3.59Å; F60-I144 HydrophobicContact CD1-CD1 3.96Å; F60-I144 HydrophobicContact CD1-CG1 4.37Å; F60-I144 HydrophobicContact CD1-CG2 3.96Å; F60-I144 HydrophobicContact CD2-CD1 4.2Å; F60-I144 HydrophobicContact CE1-CD1 3.87Å; F60-I144 HydrophobicContact CE1-CG1 3.89Å; F60-I144 HydrophobicContact CE1-CG2 3.84Å; F60-I144 HydrophobicContact CE2-CD1 4.11Å; F60-I144 HydrophobicContact CG-CD1 4.11Å; F60-I144 HydrophobicContact CZ-CD1 3.94Å; F60-I144 HydrophobicContact CZ-CG1 4.03Å; W63-I144 HydrophobicContact CB-CG2 4.45Å; W63-I144 HydrophobicContact CG-CG2 3.88Å; L118-I144 HydrophobicContact CD1-CG1 4.18Å; A140-I144 VanDerWaalsContact O-CB 3.31Å; A140-I144 WeakPolarHBondContact O-CB 3.38Å; A140-I144 WeakPolarHBondContact O-CD1 3.29Å; A140-I144 WeakPolarHBondContact O-CG1 3.48Å; A140-I144 PolarHBondContact O-N 2.83Å; H142-I144 VanDerWaalsContact C-N 3.3Å; H142-I144 PolarHBondContact O-N 3.17Å; I144-H146 VanDerWaalsContact C-N 3.29Å; I144-H146 PolarHBondContact O-N 3.08Å; I144-L147 HydrophobicContact CG1-CD1 4.21Å; I144-L147 WeakPolarHBondContact O-CB 3.33Å; I144-L147 PolarHBondContact O-N 3.33Å; I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 HydrophobicContact CG2-CG 4.22Å; I144-L148 WeakPolarHBondContact O-CG 3.5Å; I144-L148 PolarHBondContact O-N 3.03Å |
| 145 | G | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M141 H142 E143 L148 G149 L150 | M141-G145 PolarHBondContact O-N 3.16Å; H142-G145 WeakPolarHBondContact O-CA 3.46Å; H142-G145 PolarHBondContact O-N 2.93Å; E143-G145 PolarHBondContact O-N 3Å; G145-L148 CarbonylContact O-C 3.51Å; G145-L148 WeakPolarHBondContact O-CA 3.31Å; G145-L148 PolarHBondContact O-N 3.35Å; G145-L148 VanDerWaalsContact O-N 3.1Å; G145-G149 PolarHBondContact O-N 3.05Å; G145-L150 WeakPolarHBondContact O-CB 3.31Å; G145-L150 PolarHBondContact O-N 3.5Å |
| 146 | H | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 172.3 | -67.3 | -49.9 | 0 | 0 | 0 | 112.6 | C7 N9 G110 Y112 P113 H142 E143 I144 L148 G149 L150 H152 M160 | C7-H146 PolarHBondContact SG-NE2 3.38Å; N9-H146 PolarHBondContact ND2-CD2 3.16Å; N9-H146 PolarHBondContact ND2-NE2 3.32Å; G110-H146 VanDerWaalsContact O-CB 3.31Å; G110-H146 WeakPolarHBondContact O-CB 3.28Å; Y112-H146 WeakPolarHBondContact CD1-O 3.2Å; Y112-H146 HydrophobicContact CE1-CB 4.33Å; Y112-H146 AromaticContact CE1-ND1 3.73Å; Y112-H146 AromaticContact CZ-ND1 3.8Å; Y112-H146 PolarHBondContact OH-ND1 2.93Å; P113-H146 WeakPolarHBondContact CD-O 3.37Å; H142-H146 AromaticContact CD2-CD2 3.8Å; H142-H146 AromaticContact CD2-NE2 3.67Å; H142-H146 AromaticContact NE2-CD2 3.83Å; H142-H146 AromaticContact NE2-NE2 3.19Å; H142-H146 PolarHBondContact NE2-NE2 3.36Å; H142-H146 VanDerWaalsContact NE2-NE2 3.19Å; H142-H146 PolarHBondContact O-N 3.41Å; E143-H146 WeakPolarHBondContact O-CB 3.36Å; E143-H146 PolarHBondContact O-N 2.78Å; E143-H146 VanDerWaalsContact O-N 3.15Å; E143-H146 IonicContact OE2-CD2 3.58Å; E143-H146 PolarHBondContact OE2-CD2 2.78Å; I144-H146 VanDerWaalsContact C-N 3.29Å; I144-H146 PolarHBondContact O-N 3.08Å; H146-L148 PolarHBondContact O-N 2.84Å; H146-G149 PolarHBondContact O-N 3.44Å; H146-L150 WeakPolarHBondContact CA-O 3.16Å; H146-L150 PolarHBondContact ND1-O 2.92Å; H146-H152 AromaticContact CE1-CD2 3.55Å; H146-H152 AromaticContact CE1-NE2 3.63Å; H146-H152 AromaticContact NE2-CD2 3.61Å; H146-H152 AromaticContact NE2-NE2 3.3Å; H146-H152 PolarHBondContact NE2-NE2 3.08Å; H146-M160 WeakPolarHBondContact CE1-CE 3.06Å; H146-M160 WeakPolarHBondContact ND1-CE 3.38Å |
| 147 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.2 | -23 | 172.4 | -70.2 | 175.6 | 0 | 0 | 0 | 112.5 | W28 I85 F111 P113 N117 L118 E143 I144 | W28-L147 PolarHBondContact NE1-O 3.08Å; I85-L147 HydrophobicContact CD1-CD1 4.2Å; I85-L147 HydrophobicContact CG1-CD1 4.31Å; I85-L147 HydrophobicContact CG2-CD1 3.46Å; I85-L147 VanDerWaalsContact CG2-CD1 3.46Å; I85-L147 HydrophobicContact CG2-CD2 4.25Å; F111-L147 WeakPolarHBondContact O-CD2 3.4Å; P113-L147 WeakPolarHBondContact CD-O 3.34Å; P113-L147 VanDerWaalsContact CG-O 3.26Å; P113-L147 WeakPolarHBondContact CG-O 3.31Å; N117-L147 WeakPolarHBondContact O-CD2 3.45Å; L118-L147 HydrophobicContact CB-CD1 4Å; L118-L147 HydrophobicContact CB-CD2 4.33Å; L118-L147 HydrophobicContact CB-CG 4.38Å; L118-L147 HydrophobicContact CD1-CD1 3.74Å; L118-L147 HydrophobicContact CD1-CG 4.48Å; L118-L147 HydrophobicContact CG-CD1 4.38Å; E143-L147 PolarHBondContact O-N 3.22Å; I144-L147 HydrophobicContact CG1-CD1 4.21Å; I144-L147 WeakPolarHBondContact O-CB 3.33Å; I144-L147 PolarHBondContact O-N 3.33Å |
| 148 | L | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.6 | 178 | -61.4 | 179.6 | 0 | 0 | 0 | 113.8 | L33 W63 L71 F73 I144 G145 H146 I181 Y185 | L33-L148 HydrophobicContact CD1-CD2 4.14Å; W63-L148 HydrophobicContact CB-CD1 3.84Å; W63-L148 HydrophobicContact CD2-CD1 4.02Å; W63-L148 HydrophobicContact CE3-CD1 4.22Å; W63-L148 HydrophobicContact CG-CD1 3.89Å; L71-L148 HydrophobicContact CD1-CD1 4.08Å; L71-L148 HydrophobicContact CD1-CD2 3.75Å; L71-L148 HydrophobicContact CD1-CG 4.4Å; F73-L148 HydrophobicContact CE1-CD2 3.96Å; F73-L148 HydrophobicContact CZ-CD1 4.03Å; F73-L148 HydrophobicContact CZ-CD2 3.81Å; F73-L148 HydrophobicContact CZ-CG 4.5Å; I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 HydrophobicContact CG2-CG 4.22Å; I144-L148 WeakPolarHBondContact O-CG 3.5Å; I144-L148 PolarHBondContact O-N 3.03Å; G145-L148 CarbonylContact O-C 3.51Å; G145-L148 WeakPolarHBondContact O-CA 3.31Å; G145-L148 PolarHBondContact O-N 3.35Å; G145-L148 VanDerWaalsContact O-N 3.1Å; H146-L148 PolarHBondContact O-N 2.84Å; L148-I181 HydrophobicContact CB-CD1 3.72Å; L148-I181 HydrophobicContact CD1-CD1 3.68Å; L148-I181 HydrophobicContact CG-CD1 4.29Å; L148-Y185 HydrophobicContact CB-CE2 4.2Å; L148-Y185 WeakPolarHBondContact O-CE2 3.19Å; L148-Y185 PolarHBondContact O-OH 3.41Å |
| 149 | G | 94.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 13.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H24 G145 H146 | H24-G149 PolarHBondContact N-O 2.68Å; G145-G149 PolarHBondContact O-N 3.05Å; H146-G149 PolarHBondContact O-N 3.44Å |
| 150 | L | 94.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -88.1 | 130.1 | 173.6 | -55.6 | 178.9 | 0 | 0 | 0 | 109.9 | W63 Y112 G145 H146 M160 I181 M184 | W63-L150 HydrophobicContact CH2-CD1 3.39Å; W63-L150 HydrophobicContact CZ2-CD1 4.44Å; W63-L150 HydrophobicContact CZ3-CD1 3.46Å; W63-L150 VanDerWaalsContact CZ3-CD1 3.46Å; Y112-L150 WeakPolarHBondContact CE1-O 3.35Å; G145-L150 WeakPolarHBondContact O-CB 3.31Å; G145-L150 PolarHBondContact O-N 3.5Å; H146-L150 WeakPolarHBondContact CA-O 3.16Å; H146-L150 PolarHBondContact ND1-O 2.92Å; L150-M160 HydrophobicContact CB-CE 4.23Å; L150-M160 HydrophobicContact CB-CG 4.15Å; L150-M160 HydrophobicContact CB-SD 4.28Å; L150-M160 HydrophobicContact CD1-CG 4.25Å; L150-M160 WeakPolarHBondContact O-CE 2.95Å; L150-I181 HydrophobicContact CD1-CB 4.41Å; L150-I181 HydrophobicContact CD1-CD1 4.47Å; L150-M184 HydrophobicContact CD2-CG 4.2Å |
| 151 | E | 94 | Very high | 95.3 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | trans | -85.6 | 175.2 | 168.2 | -53.6 | -173.5 | 161 | 0 | 0 | 110.5 | V22 H24 Y112 | V22-E151 HydrophobicContact CB-CB 4.11Å; V22-E151 HydrophobicContact CB-CG 4.44Å; V22-E151 WeakPolarHBondContact CB-OE2 3.14Å; V22-E151 HydrophobicContact CG1-CG 4.46Å; V22-E151 WeakPolarHBondContact CG1-OE2 3.49Å; V22-E151 VanDerWaalsContact O-CB 3.27Å; V22-E151 WeakPolarHBondContact O-CB 3.47Å; V22-E151 WeakPolarHBondContact O-CG 3.16Å; V22-E151 PolarHBondContact O-N 2.99Å; H24-E151 WeakPolarHBondContact CA-OE1 3.35Å; H24-E151 HydrophobicContact CB-CG 3.85Å; H24-E151 IonicContact CG-OE1 3.84Å; H24-E151 IonicContact ND1-OE1 3.53Å; H24-E151 PolarHBondContact ND1-OE1 2.93Å; Y112-E151 HydrophobicContact CE1-CG 4.15Å | ||
| 152 | H | 94.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | trans | -55.6 | 139.1 | 176.1 | -69.3 | 143 | 0 | 0 | 0 | 113 | N9 S11 H142 H146 M160 P162 | N9-H152 PolarHBondContact O-CE1 2.87Å; N9-H152 VanDerWaalsContact O-CE1 3.26Å; S11-H152 PolarHBondContact OG-ND1 2.97Å; S11-H152 VanDerWaalsContact OG-ND1 3.15Å; H142-H152 AromaticContact CE1-CD2 3.46Å; H142-H152 PolarHBondContact CE1-CD2 2.86Å; H142-H152 VanDerWaalsContact CE1-CD2 3.46Å; H142-H152 AromaticContact CE1-NE2 3.69Å; H142-H152 AromaticContact NE2-CD2 3.39Å; H142-H152 PolarHBondContact NE2-CD2 2.83Å; H142-H152 AromaticContact NE2-NE2 3.23Å; H142-H152 PolarHBondContact NE2-NE2 2.97Å; H146-H152 AromaticContact CE1-CD2 3.55Å; H146-H152 AromaticContact CE1-NE2 3.63Å; H146-H152 AromaticContact NE2-CD2 3.61Å; H146-H152 AromaticContact NE2-NE2 3.3Å; H146-H152 PolarHBondContact NE2-NE2 3.08Å; H152-M160 CarbonylContact C-O 3.42Å; H152-M160 WeakPolarHBondContact CA-O 3.39Å; H152-M160 PolarHBondContact CD2-O 2.87Å; H152-P162 HydrophobicContact CB-CB 4.49Å | ||
| 153 | S | 93.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | trans | -91.5 | 148.5 | 169.1 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | D155 M160 D176 | S153-D155 VanDerWaalsContact C-N 3.32Å; S153-D155 PolarHBondContact OG-N 3.12Å; S153-M160 PolarHBondContact N-O 3.36Å; S153-D176 WeakPolarHBondContact CB-OD2 3.41Å; S153-D176 PolarHBondContact OG-OD2 3.18Å | ||
| 154 | N | 91 | Very high | 94.5 | Very high | 144 Ų | 144 | 29.9 Ų | 29.9 | 77% | 0.77 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -88.3 | -3.8 | 169.1 | -65.7 | -55.7 | 0 | 0 | 0 | 112.1 | Y156 | N154-Y156 PolarHBondContact O-N 3.03Š|
| 155 | D | 92.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 31.8 Ų | 31.8 | 28% | 0.278 | 16% | 0.156 | S | C | . | . | trans | -79.2 | 114.8 | 174.5 | -173.7 | -15.8 | 0 | 0 | 0 | 109.3 | S153 N157 A158 | S153-D155 VanDerWaalsContact C-N 3.32Å; S153-D155 PolarHBondContact OG-N 3.12Å; D155-N157 PolarHBondContact O-N 2.82Å; D155-N157 WeakPolarHBondContact OD1-CB 3.48Å; D155-N157 PolarHBondContact OD1-N 2.85Å; D155-N157 PolarHBondContact OD1-ND2 3.04Å; D155-A158 HydrophobicContact CB-CB 3.91Å; D155-A158 WeakPolarHBondContact O-CB 3.39Å; D155-A158 PolarHBondContact O-N 3.4Å | ||
| 156 | Y | 90.9 | Very high | 93.8 | Very high | 134 Ų | 134 | 36.1 Ų | 36.1 | 53% | 0.525 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.2 | 179.2 | -176.5 | -98.2 | 0 | 0 | 0 | 112.8 | N154 F161 R165 | N154-Y156 PolarHBondContact O-N 3.03Å; Y156-F161 AromaticContact CD2-CD1 3.91Å; Y156-F161 HydrophobicContact CD2-CD1 3.91Å; Y156-F161 AromaticContact CD2-CE1 3.46Å; Y156-F161 HydrophobicContact CD2-CE1 3.46Å; Y156-F161 VanDerWaalsContact CD2-CE1 3.46Å; Y156-F161 HydrophobicContact CD2-CE2 4.37Å; Y156-F161 AromaticContact CD2-CZ 3.75Å; Y156-F161 HydrophobicContact CD2-CZ 3.75Å; Y156-F161 HydrophobicContact CE2-CD1 4.3Å; Y156-F161 AromaticContact CE2-CE1 3.8Å; Y156-F161 HydrophobicContact CE2-CE1 3.8Å; Y156-F161 HydrophobicContact CE2-CZ 4.43Å; Y156-R165 PolarHBondContact O-NE 3.18Å; Y156-R165 PolarHBondContact O-NH1 3.22Å; Y156-R165 PolarHBondContact O-NH2 2.88Å |
| 157 | N | 91.3 | Very high | 93.7 | Very high | 112 Ų | 112 | 39.5 Ų | 39.5 | 60% | 0.599 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -18.9 | 178.9 | -59.6 | -59.3 | 0 | 0 | 0 | 113 | D155 R165 | D155-N157 PolarHBondContact O-N 2.82Å; D155-N157 WeakPolarHBondContact OD1-CB 3.48Å; D155-N157 PolarHBondContact OD1-N 2.85Å; D155-N157 PolarHBondContact OD1-ND2 3.04Å; N157-R165 PolarHBondContact O-NH2 3.03Å |
| 158 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -74.1 | 137.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | D155 M160 F161 R165 D176 D177 | D155-A158 HydrophobicContact CB-CB 3.91Å; D155-A158 WeakPolarHBondContact O-CB 3.39Å; D155-A158 PolarHBondContact O-N 3.4Å; A158-M160 PolarHBondContact O-N 3.09Å; A158-M160 VanDerWaalsContact O-N 3.12Å; A158-F161 VanDerWaalsContact O-CB 3.26Å; A158-F161 WeakPolarHBondContact O-CB 3.23Å; A158-F161 PolarHBondContact O-N 3.4Å; A158-R165 VanDerWaalsContact C-NH2 3.26Å; A158-R165 PolarHBondContact O-NH2 2.83Å; A158-D176 HydrophobicContact CB-CB 4.08Å; A158-D177 WeakPolarHBondContact CA-OD2 3.42Å |
| 159 | V | 96.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -37.1 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | W63 M141 H142 F161 F171 K172 L173 D177 | W63-V159 HydrophobicContact CZ2-CG1 4.28Å; M141-V159 HydrophobicContact CB-CG1 3.87Å; H142-V159 HydrophobicContact CB-CG1 4.37Å; H142-V159 PolarHBondContact ND1-O 3.06Å; V159-F161 PolarHBondContact O-N 3.43Å; V159-F161 VanDerWaalsContact O-N 3.14Å; V159-F171 HydrophobicContact CB-CZ 4.22Å; V159-F171 HydrophobicContact CG1-CZ 4.07Å; V159-F171 HydrophobicContact CG2-CE1 3.91Å; V159-F171 HydrophobicContact CG2-CE2 4.11Å; V159-F171 HydrophobicContact CG2-CZ 3.52Å; V159-K172 WeakPolarHBondContact CG2-O 3.44Å; V159-L173 HydrophobicContact CB-CD2 4.02Å; V159-L173 HydrophobicContact CG1-CD2 4.32Å; V159-L173 HydrophobicContact CG2-CD2 3.83Å; V159-L173 HydrophobicContact CG2-CG 4.4Å; V159-D177 VanDerWaalsContact N-CG 3.34Å; V159-D177 PolarHBondContact N-OD1 2.91Å; V159-D177 PolarHBondContact N-OD2 3.41Å |
| 160 | M | 96.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 8.4 | 176.5 | -62.4 | -49.9 | -57.8 | 0 | 0 | 115.2 | W63 H142 H146 L150 H152 S153 A158 D177 | W63-M160 HydrophobicContact CH2-SD 4.37Å; W63-M160 HydrophobicContact CZ2-SD 4.29Å; H142-M160 VanDerWaalsContact O-SD 3.38Å; H146-M160 WeakPolarHBondContact CE1-CE 3.06Å; H146-M160 WeakPolarHBondContact ND1-CE 3.38Å; L150-M160 HydrophobicContact CB-CE 4.23Å; L150-M160 HydrophobicContact CB-CG 4.15Å; L150-M160 HydrophobicContact CB-SD 4.28Å; L150-M160 HydrophobicContact CD1-CG 4.25Å; L150-M160 WeakPolarHBondContact O-CE 2.95Å; H152-M160 CarbonylContact C-O 3.42Å; H152-M160 WeakPolarHBondContact CA-O 3.39Å; H152-M160 PolarHBondContact CD2-O 2.87Å; S153-M160 PolarHBondContact N-O 3.36Å; A158-M160 PolarHBondContact O-N 3.09Å; A158-M160 VanDerWaalsContact O-N 3.12Å; M160-D177 VanDerWaalsContact CG-OD1 3.31Å; M160-D177 WeakPolarHBondContact CG-OD1 3.46Å; M160-D177 PolarHBondContact N-OD1 3.46Å |
| 161 | F | 94.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | trans | -65.7 | 129.1 | 169.9 | -170.7 | -109.9 | 0 | 0 | 0 | 110 | H142 Y156 A158 V159 I163 | H142-F161 PolarHBondContact CE1-O 3.15Å; H142-F161 PolarHBondContact ND1-O 3.01Å; Y156-F161 AromaticContact CD2-CD1 3.91Å; Y156-F161 HydrophobicContact CD2-CD1 3.91Å; Y156-F161 AromaticContact CD2-CE1 3.46Å; Y156-F161 HydrophobicContact CD2-CE1 3.46Å; Y156-F161 VanDerWaalsContact CD2-CE1 3.46Å; Y156-F161 HydrophobicContact CD2-CE2 4.37Å; Y156-F161 AromaticContact CD2-CZ 3.75Å; Y156-F161 HydrophobicContact CD2-CZ 3.75Å; Y156-F161 HydrophobicContact CE2-CD1 4.3Å; Y156-F161 AromaticContact CE2-CE1 3.8Å; Y156-F161 HydrophobicContact CE2-CE1 3.8Å; Y156-F161 HydrophobicContact CE2-CZ 4.43Å; A158-F161 VanDerWaalsContact O-CB 3.26Å; A158-F161 WeakPolarHBondContact O-CB 3.23Å; A158-F161 PolarHBondContact O-N 3.4Å; V159-F161 PolarHBondContact O-N 3.43Å; V159-F161 VanDerWaalsContact O-N 3.14Å; F161-I163 VanDerWaalsContact C-N 3.27Å; F161-I163 HydrophobicContact CD1-CB 3.98Å; F161-I163 HydrophobicContact CE1-CB 3.63Å; F161-I163 HydrophobicContact CE1-CD1 3.88Å; F161-I163 HydrophobicContact CE1-CG1 3.91Å; F161-I163 HydrophobicContact CZ-CD1 4.04Å; F161-I163 HydrophobicContact CZ-CG1 4.37Å; F161-I163 PolarHBondContact O-N 2.86Å | ||
| 162 | P | 94.7 | Very high | 93.4 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -67.8 | -20.8 | -165.9 | 22 | -33.2 | 0 | 0 | 0 | 115.5 | R6 C7 H152 | R6-P162 VanDerWaalsContact CA-O 3.31Å; R6-P162 WeakPolarHBondContact CA-O 3.42Å; R6-P162 VanDerWaalsContact CB-O 3.29Å; R6-P162 WeakPolarHBondContact CB-O 3.49Å; C7-P162 PolarHBondContact N-O 3.36Å; H152-P162 HydrophobicContact CB-CB 4.49Å |
| 163 | I | 93.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 132.3 | -174 | -60.3 | 177.2 | 0 | 0 | 0 | 108.8 | Q4 F161 | Q4-I163 HydrophobicContact CG-CG2 3.68Å; F161-I163 VanDerWaalsContact C-N 3.27Å; F161-I163 HydrophobicContact CD1-CB 3.98Å; F161-I163 HydrophobicContact CE1-CB 3.63Å; F161-I163 HydrophobicContact CE1-CD1 3.88Å; F161-I163 HydrophobicContact CE1-CG1 3.91Å; F161-I163 HydrophobicContact CZ-CD1 4.04Å; F161-I163 HydrophobicContact CZ-CG1 4.37Å; F161-I163 PolarHBondContact O-N 2.86Å |
| 164 | N | 90.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.15 | 32% | 0.315 | C | S | . | . | trans | -63.7 | 140.4 | 175.1 | -165.5 | -87.1 | 0 | 0 | 0 | 110.2 | P5 T139 | P5-N164 HydrophobicContact CB-CB 3.92Å; P5-N164 WeakPolarHBondContact O-CB 3.37Å; P5-N164 PolarHBondContact O-N 3.41Å; T139-N164 PolarHBondContact OG1-ND2 3.48Å; T139-N164 VanDerWaalsContact OG1-ND2 3.12Å | ||
| 165 | R | 89.3 | Confident | 93.8 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | trans | -113.2 | 150.7 | -178.9 | -67.7 | -175 | -105 | 166.6 | -3.5 | 109.8 | Q138 Y156 N157 A158 | Q138-R165 PolarHBondContact NE2-O 3.34Å; Y156-R165 PolarHBondContact O-NE 3.18Å; Y156-R165 PolarHBondContact O-NH1 3.22Å; Y156-R165 PolarHBondContact O-NH2 2.88Å; N157-R165 PolarHBondContact O-NH2 3.03Å; A158-R165 VanDerWaalsContact C-NH2 3.26Å; A158-R165 PolarHBondContact O-NH2 2.83Å | ||
| 166 | P | 91 | Very high | 93.9 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | trans | -49.8 | 155.8 | 168.8 | -25 | 34.2 | 0 | 0 | 0 | 111.3 | Q138 D168 | Q138-P166 PolarHBondContact NE2-O 2.9Å; Q138-P166 VanDerWaalsContact NE2-O 3.07Å; P166-D168 PolarHBondContact O-N 3.14Å | ||
| 167 | Y | 94.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | trans | -54.7 | 124 | 174.8 | 167.1 | -120.6 | 0 | 0 | 0 | 111.2 | L128 Y129 M130 N135 P169 | L128-Y167 WeakPolarHBondContact O-CE2 3.46Å; Y129-Y167 HydrophobicContact CD1-CE2 4.39Å; M130-Y167 WeakPolarHBondContact O-CB 3.13Å; N135-Y167 WeakPolarHBondContact ND2-CD2 3.49Å; Y167-P169 HydrophobicContact CE1-CB 4.44Å | ||
| 168 | D | 93.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | trans | -117 | 114.8 | 173 | 175.4 | 12.4 | 0 | 0 | 0 | 109.8 | P166 L170 F171 | P166-D168 PolarHBondContact O-N 3.14Å; D168-L170 PolarHBondContact O-N 3.02Å; D168-L170 VanDerWaalsContact O-N 3.17Å; D168-L170 WeakPolarHBondContact OD1-CA 3.44Å; D168-L170 WeakPolarHBondContact OD1-CB 3.33Å; D168-L170 PolarHBondContact OD1-N 2.95Å; D168-F171 HydrophobicContact CB-CB 4.15Å; D168-F171 WeakPolarHBondContact O-CB 3.34Å; D168-F171 PolarHBondContact O-N 2.87Å | ||
| 169 | P | 93.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.2 | 176.4 | 26.7 | -34.6 | 0 | 0 | 0 | 113.4 | Y167 | Y167-P169 HydrophobicContact CE1-CB 4.44Š|
| 170 | L | 93.9 | Very high | 94.1 | Very high | 137 Ų | 137 | 52.6 Ų | 52.6 | 72% | 0.717 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 6.8 | 176.9 | -56.7 | -179.5 | 0 | 0 | 0 | 112.9 | D168 K172 | D168-L170 PolarHBondContact O-N 3.02Å; D168-L170 VanDerWaalsContact O-N 3.17Å; D168-L170 WeakPolarHBondContact OD1-CA 3.44Å; D168-L170 WeakPolarHBondContact OD1-CB 3.33Å; D168-L170 PolarHBondContact OD1-N 2.95Å; L170-K172 PolarHBondContact O-N 3.4Å |
| 171 | F | 95.2 | Very high | 94 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 11% | 0.114 | 27% | 0.268 | C | S | . | . | trans | -56 | 127.6 | -178.7 | -176.1 | -95.4 | 0 | 0 | 0 | 111.9 | Y137 Q138 M141 V159 D168 | Y137-F171 HydrophobicContact CD1-CD1 4.16Å; Y137-F171 AromaticContact CE1-CD1 3.97Å; Y137-F171 HydrophobicContact CE1-CD1 3.97Å; Y137-F171 HydrophobicContact CE1-CE1 4.45Å; Q138-F171 HydrophobicContact CB-CD1 4.4Å; Q138-F171 HydrophobicContact CB-CD2 4.37Å; Q138-F171 HydrophobicContact CB-CE1 4.03Å; Q138-F171 HydrophobicContact CB-CE2 3.99Å; Q138-F171 HydrophobicContact CB-CZ 3.78Å; Q138-F171 HydrophobicContact CG-CB 4.26Å; Q138-F171 HydrophobicContact CG-CD1 3.78Å; Q138-F171 HydrophobicContact CG-CD2 3.76Å; Q138-F171 HydrophobicContact CG-CE1 3.93Å; Q138-F171 HydrophobicContact CG-CE2 3.91Å; Q138-F171 HydrophobicContact CG-CG 3.67Å; Q138-F171 HydrophobicContact CG-CZ 3.96Å; M141-F171 HydrophobicContact CB-CE1 3.81Å; M141-F171 HydrophobicContact CB-CZ 4.3Å; M141-F171 HydrophobicContact CG-CE1 4Å; V159-F171 HydrophobicContact CB-CZ 4.22Å; V159-F171 HydrophobicContact CG1-CZ 4.07Å; V159-F171 HydrophobicContact CG2-CE1 3.91Å; V159-F171 HydrophobicContact CG2-CE2 4.11Å; V159-F171 HydrophobicContact CG2-CZ 3.52Å; D168-F171 HydrophobicContact CB-CB 4.15Å; D168-F171 WeakPolarHBondContact O-CB 3.34Å; D168-F171 PolarHBondContact O-N 2.87Å | ||
| 172 | K | 95.6 | Very high | 93.9 | Very high | 158 Ų | 158 | 54.9 Ų | 54.9 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | trans | -154.8 | 164.9 | 179.8 | 63.7 | -176.4 | 177.6 | -176.3 | 0 | 110.4 | V159 L170 G174 | V159-K172 WeakPolarHBondContact CG2-O 3.44Å; L170-K172 PolarHBondContact O-N 3.4Å; K172-G174 PolarHBondContact O-N 3.42Å | ||
| 173 | L | 96.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | trans | -59.1 | 128.8 | 171.1 | -69.9 | 164.4 | 0 | 0 | 0 | 110.7 | D62 W63 A66 M141 V159 D177 I178 | D62-L173 HydrophobicContact CB-CD1 4.48Å; W63-L173 HydrophobicContact CD2-CD1 4.27Å; W63-L173 HydrophobicContact CD2-CD2 4.15Å; W63-L173 HydrophobicContact CE3-CD1 4.11Å; W63-L173 HydrophobicContact CE3-CD2 4.03Å; W63-L173 HydrophobicContact CH2-CD2 3.39Å; W63-L173 HydrophobicContact CZ2-CD2 3.52Å; W63-L173 HydrophobicContact CZ3-CD1 4.4Å; W63-L173 HydrophobicContact CZ3-CD2 3.65Å; A66-L173 HydrophobicContact CB-CD1 3.45Å; A66-L173 VanDerWaalsContact CB-CD1 3.45Å; M141-L173 HydrophobicContact CE-CD1 3.92Å; M141-L173 HydrophobicContact CE-CD2 3.81Å; M141-L173 HydrophobicContact CE-CG 3.52Å; V159-L173 HydrophobicContact CB-CD2 4.02Å; V159-L173 HydrophobicContact CG1-CD2 4.32Å; V159-L173 HydrophobicContact CG2-CD2 3.83Å; V159-L173 HydrophobicContact CG2-CG 4.4Å; L173-D177 HydrophobicContact CB-CB 4.36Å; L173-D177 HydrophobicContact CD2-CB 3.71Å; L173-I178 HydrophobicContact CB-CD1 4.38Å; L173-I178 HydrophobicContact CB-CG1 4.02Å | ||
| 174 | G | 94.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 59 Ų | 59 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -79.6 | 169.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K172 D176 D177 I178 | K172-G174 PolarHBondContact O-N 3.42Å; G174-D176 PolarHBondContact O-N 3.42Å; G174-D177 WeakPolarHBondContact CA-OD2 3.24Å; G174-D177 PolarHBondContact N-OD2 3.42Å; G174-D177 PolarHBondContact O-N 2.99Å; G174-I178 WeakPolarHBondContact O-CG1 3.31Å; G174-I178 PolarHBondContact O-N 2.86Å | ||
| 175 | D | 94.5 | Very high | 93.6 | Very high | 121 Ų | 121 | 57.6 Ų | 57.6 | 65% | 0.647 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.9 | -29 | 179.1 | -76 | -17.8 | 0 | 0 | 0 | 113 | R179 | D175-R179 WeakPolarHBondContact O-CB 3.37Å; D175-R179 VanDerWaalsContact O-CG 3.26Å; D175-R179 WeakPolarHBondContact O-CG 3.31Å; D175-R179 PolarHBondContact O-N 2.74Å; D175-R179 VanDerWaalsContact O-N 3.11Å; D175-R179 PolarHBondContact O-NE 3.17Å |
| 176 | D | 93.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70 | -48.1 | 176.7 | -163.1 | 56.9 | 0 | 0 | 0 | 112.2 | R20 F21 S153 A158 G174 I178 R179 G180 | R20-D176 VanDerWaalsContact C-CG 3.48Å; R20-D176 WeakPolarHBondContact CB-OD1 3.38Å; R20-D176 WeakPolarHBondContact CG-OD1 3.46Å; F21-D176 PolarHBondContact N-OD1 3.03Å; S153-D176 WeakPolarHBondContact CB-OD2 3.41Å; S153-D176 PolarHBondContact OG-OD2 3.18Å; A158-D176 HydrophobicContact CB-CB 4.08Å; G174-D176 PolarHBondContact O-N 3.42Å; D176-I178 VanDerWaalsContact C-N 3.34Å; D176-I178 PolarHBondContact O-N 3.38Å; D176-R179 PolarHBondContact O-N 2.97Å; D176-R179 IonicContact OD1-NH2 2.78Å; D176-G180 PolarHBondContact O-N 2.84Å |
| 177 | D | 96.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.8 | -47.3 | -61.1 | 0 | 0 | 0 | 111 | W63 A158 V159 M160 L173 G174 R179 G180 I181 | W63-D177 HydrophobicContact CH2-CB 4.02Å; W63-D177 HydrophobicContact CZ3-CB 4.3Å; A158-D177 WeakPolarHBondContact CA-OD2 3.42Å; V159-D177 VanDerWaalsContact N-CG 3.34Å; V159-D177 PolarHBondContact N-OD1 2.91Å; V159-D177 PolarHBondContact N-OD2 3.41Å; M160-D177 VanDerWaalsContact CG-OD1 3.31Å; M160-D177 WeakPolarHBondContact CG-OD1 3.46Å; M160-D177 PolarHBondContact N-OD1 3.46Å; L173-D177 HydrophobicContact CB-CB 4.36Å; L173-D177 HydrophobicContact CD2-CB 3.71Å; G174-D177 WeakPolarHBondContact CA-OD2 3.24Å; G174-D177 PolarHBondContact N-OD2 3.42Å; G174-D177 PolarHBondContact O-N 2.99Å; D177-R179 PolarHBondContact O-N 3.32Å; D177-G180 PolarHBondContact O-N 2.9Å; D177-I181 WeakPolarHBondContact O-CG2 3.47Å; D177-I181 PolarHBondContact O-N 3Å |
| 178 | I | 95.5 | Very high | 91.4 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 179.9 | -67.4 | 169.2 | 0 | 0 | 0 | 111.1 | A66 L173 G174 D176 I181 R182 | A66-I178 HydrophobicContact CB-CG1 4.28Å; L173-I178 HydrophobicContact CB-CD1 4.38Å; L173-I178 HydrophobicContact CB-CG1 4.02Å; G174-I178 WeakPolarHBondContact O-CG1 3.31Å; G174-I178 PolarHBondContact O-N 2.86Å; D176-I178 VanDerWaalsContact C-N 3.34Å; D176-I178 PolarHBondContact O-N 3.38Å; I178-I181 WeakPolarHBondContact O-CG2 3.2Å; I178-R182 WeakPolarHBondContact O-CB 3.4Å; I178-R182 WeakPolarHBondContact O-CD 3.42Å; I178-R182 WeakPolarHBondContact O-CG 3.42Å; I178-R182 PolarHBondContact O-N 2.78Å; I178-R182 VanDerWaalsContact O-N 3.16Å |
| 179 | R | 93.2 | Very high | 90.1 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 176.5 | -76.3 | -179.6 | -60.7 | -177.7 | 3.2 | 111.5 | F21 D175 D176 D177 R182 Y183 | F21-R179 HydrophobicContact CD1-CB 4.2Å; F21-R179 HydrophobicContact CE1-CB 4.12Å; D175-R179 WeakPolarHBondContact O-CB 3.37Å; D175-R179 VanDerWaalsContact O-CG 3.26Å; D175-R179 WeakPolarHBondContact O-CG 3.31Å; D175-R179 PolarHBondContact O-N 2.74Å; D175-R179 VanDerWaalsContact O-N 3.11Å; D175-R179 PolarHBondContact O-NE 3.17Å; D176-R179 PolarHBondContact O-N 2.97Å; D176-R179 IonicContact OD1-NH2 2.78Å; D177-R179 PolarHBondContact O-N 3.32Å; R179-R182 PolarHBondContact O-N 3.04Å; R179-Y183 VanDerWaalsContact O-CB 3.26Å; R179-Y183 WeakPolarHBondContact O-CB 3.42Å; R179-Y183 PolarHBondContact O-N 3.29Å |
| 180 | G | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -53.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | D176 D177 R182 Y183 M184 | D176-G180 PolarHBondContact O-N 2.84Å; D177-G180 PolarHBondContact O-N 2.9Å; G180-R182 VanDerWaalsContact C-N 3.33Å; G180-R182 PolarHBondContact O-N 2.81Å; G180-Y183 WeakPolarHBondContact O-CB 3.43Å; G180-Y183 PolarHBondContact O-N 2.84Å; G180-M184 WeakPolarHBondContact O-CG 3.2Å; G180-M184 PolarHBondContact O-N 3.26Å |
| 181 | I | 94.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -36.3 | -177.7 | -163.4 | 69.7 | 0 | 0 | 0 | 112.4 | W63 A66 L71 L148 L150 D177 I178 M184 Y185 | W63-I181 HydrophobicContact CE3-CB 4.19Å; W63-I181 HydrophobicContact CE3-CD1 4.22Å; W63-I181 HydrophobicContact CE3-CG1 4.08Å; W63-I181 HydrophobicContact CE3-CG2 4.43Å; W63-I181 HydrophobicContact CZ3-CB 4.02Å; W63-I181 HydrophobicContact CZ3-CD1 4.45Å; W63-I181 HydrophobicContact CZ3-CG1 4.36Å; W63-I181 HydrophobicContact CZ3-CG2 4.35Å; A66-I181 HydrophobicContact CB-CG2 4.04Å; L71-I181 HydrophobicContact CD1-CD1 4.13Å; L148-I181 HydrophobicContact CB-CD1 3.72Å; L148-I181 HydrophobicContact CD1-CD1 3.68Å; L148-I181 HydrophobicContact CG-CD1 4.29Å; L150-I181 HydrophobicContact CD1-CB 4.41Å; L150-I181 HydrophobicContact CD1-CD1 4.47Å; D177-I181 WeakPolarHBondContact O-CG2 3.47Å; D177-I181 PolarHBondContact O-N 3Å; I178-I181 WeakPolarHBondContact O-CG2 3.2Å; I181-M184 PolarHBondContact O-N 3.46Å; I181-Y185 HydrophobicContact CD1-CD2 3.49Å; I181-Y185 VanDerWaalsContact CD1-CD2 3.49Å; I181-Y185 HydrophobicContact CD1-CE2 3.6Å; I181-Y185 HydrophobicContact CG1-CD2 4.04Å; I181-Y185 PolarHBondContact O-N 3.25Å |
| 182 | R | 92.8 | Very high | 86.1 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.6 | -38.5 | 175.6 | -72.7 | 175.5 | 178.5 | 178.1 | 2.2 | 111.8 | A66 I178 R179 G180 M184 Y185 A186 | A66-R182 PolarHBondContact O-NE 2.79Å; I178-R182 WeakPolarHBondContact O-CB 3.4Å; I178-R182 WeakPolarHBondContact O-CD 3.42Å; I178-R182 WeakPolarHBondContact O-CG 3.42Å; I178-R182 PolarHBondContact O-N 2.78Å; I178-R182 VanDerWaalsContact O-N 3.16Å; R179-R182 PolarHBondContact O-N 3.04Å; G180-R182 VanDerWaalsContact C-N 3.33Å; G180-R182 PolarHBondContact O-N 2.81Å; R182-M184 PolarHBondContact O-N 3.36Å; R182-Y185 PolarHBondContact O-N 3.47Å; R182-A186 HydrophobicContact CB-CB 4.47Å; R182-A186 WeakPolarHBondContact O-CB 3.32Å; R182-A186 PolarHBondContact O-N 3.03Å |
| 183 | Y | 90.4 | Very high | 84.7 | Confident | 136 Ų | 136 | 49.7 Ų | 49.7 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -36.8 | 172.5 | 175.9 | -92.1 | 0 | 0 | 0 | 111.3 | F21 P23 R179 G180 A189 | F21-Y183 AromaticContact CE2-CD1 3.78Å; F21-Y183 HydrophobicContact CE2-CD1 3.78Å; F21-Y183 HydrophobicContact CE2-CD2 4.32Å; F21-Y183 HydrophobicContact CE2-CE1 4.48Å; F21-Y183 AromaticContact CE2-CG 3.68Å; F21-Y183 HydrophobicContact CE2-CG 3.68Å; F21-Y183 HydrophobicContact CZ-CD1 4.43Å; F21-Y183 HydrophobicContact CZ-CD2 4.17Å; F21-Y183 AromaticContact CZ-CG 3.89Å; F21-Y183 HydrophobicContact CZ-CG 3.89Å; P23-Y183 HydrophobicContact CB-CD1 4.47Å; P23-Y183 HydrophobicContact CB-CE1 4.4Å; P23-Y183 HydrophobicContact CG-CD1 4.22Å; P23-Y183 HydrophobicContact CG-CE1 3.86Å; R179-Y183 VanDerWaalsContact O-CB 3.26Å; R179-Y183 WeakPolarHBondContact O-CB 3.42Å; R179-Y183 PolarHBondContact O-N 3.29Å; G180-Y183 WeakPolarHBondContact O-CB 3.43Å; G180-Y183 PolarHBondContact O-N 2.84Å; Y183-A189 WeakPolarHBondContact O-CB 3.39Å |
| 184 | M | 89.7 | Confident | 83.3 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.6 | -42.4 | 179.9 | -69.4 | -67.4 | -82.5 | 0 | 0 | 113.5 | P23 A26 K27 L150 G180 I181 R182 | P23-M184 HydrophobicContact CB-CE 4.34Å; P23-M184 HydrophobicContact CB-CG 4.32Å; P23-M184 HydrophobicContact CB-SD 3.43Å; P23-M184 WeakPolarHBondContact CB-SD 3.41Å; A26-M184 VanDerWaalsContact O-CE 3.28Å; A26-M184 WeakPolarHBondContact O-CE 3.41Å; K27-M184 HydrophobicContact CB-CE 3.8Å; L150-M184 HydrophobicContact CD2-CG 4.2Å; G180-M184 WeakPolarHBondContact O-CG 3.2Å; G180-M184 PolarHBondContact O-N 3.26Å; I181-M184 PolarHBondContact O-N 3.46Å; R182-M184 PolarHBondContact O-N 3.36Å |
| 185 | Y | 92.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -125.3 | -8.6 | -164.6 | -62.6 | -77.6 | 0 | 0 | 0 | 116.2 | K27 W28 R31 A70 L71 L148 I181 R182 | K27-Y185 HydrophobicContact CB-CE1 4.22Å; W28-Y185 HydrophobicContact CB-CE1 4.33Å; W28-Y185 PolarHBondContact N-OH 2.76Å; R31-Y185 VanDerWaalsContact CZ-O 3.29Å; R31-Y185 PolarHBondContact NH1-O 3.45Å; R31-Y185 PolarHBondContact NH2-O 2.85Å; R31-Y185 VanDerWaalsContact NH2-O 3.13Å; A70-Y185 WeakPolarHBondContact CB-O 3.39Å; L71-Y185 HydrophobicContact CD1-CD1 4.05Å; L71-Y185 HydrophobicContact CD1-CD2 3.55Å; L71-Y185 HydrophobicContact CD1-CE1 4.22Å; L71-Y185 HydrophobicContact CD1-CE2 3.75Å; L71-Y185 HydrophobicContact CD1-CG 3.71Å; L71-Y185 HydrophobicContact CD2-CD1 3.71Å; L71-Y185 HydrophobicContact CD2-CE1 3.88Å; L71-Y185 HydrophobicContact CD2-CG 4.15Å; L71-Y185 HydrophobicContact CG-CD1 3.97Å; L71-Y185 HydrophobicContact CG-CD2 4.25Å; L71-Y185 HydrophobicContact CG-CE1 4.42Å; L71-Y185 HydrophobicContact CG-CG 3.88Å; L148-Y185 HydrophobicContact CB-CE2 4.2Å; L148-Y185 WeakPolarHBondContact O-CE2 3.19Å; L148-Y185 PolarHBondContact O-OH 3.41Å; I181-Y185 HydrophobicContact CD1-CD2 3.49Å; I181-Y185 VanDerWaalsContact CD1-CD2 3.49Å; I181-Y185 HydrophobicContact CD1-CE2 3.6Å; I181-Y185 HydrophobicContact CG1-CD2 4.04Å; I181-Y185 PolarHBondContact O-N 3.25Å; R182-Y185 PolarHBondContact O-N 3.47Å |
| 186 | A | 83.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -57.5 | 150.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R182 W188 A189 W190 | R182-A186 HydrophobicContact CB-CB 4.47Å; R182-A186 WeakPolarHBondContact O-CB 3.32Å; R182-A186 PolarHBondContact O-N 3.03Å; A186-W188 HydrophobicContact CB-CD2 3.78Å; A186-W188 HydrophobicContact CB-CE3 4.35Å; A186-W188 HydrophobicContact CB-CG 4.24Å; A186-W188 HydrophobicContact CB-CH2 4.14Å; A186-W188 HydrophobicContact CB-CZ2 3.51Å; A186-W188 PolarHBondContact O-N 2.87Å; A186-W188 VanDerWaalsContact O-N 3.14Å; A186-A189 WeakPolarHBondContact O-CA 3.39Å; A186-A189 VanDerWaalsContact O-CB 3.23Å; A186-A189 WeakPolarHBondContact O-CB 3.26Å; A186-A189 PolarHBondContact O-N 3.15Å; A186-W190 PolarHBondContact O-N 2.99Å |
| 187 | P | 73.5 | Confident | 79.9 | Confident | 85 Ų | 85 | 64.4 Ų | 64.4 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -51.6 | -39.4 | -178 | -29.1 | 35.8 | 0 | 0 | 0 | 113.7 | A189 W190 T191 | P187-A189 VanDerWaalsContact C-N 3.31Å; P187-A189 PolarHBondContact O-N 3.44Å; P187-W190 WeakPolarHBondContact O-CB 3.07Å; P187-W190 PolarHBondContact O-N 3.42Å; P187-W190 VanDerWaalsContact O-N 3.14Å; P187-T191 PolarHBondContact O-N 3.17Å; P187-T191 PolarHBondContact O-OG1 3.22Å |
| 188 | W | 72.1 | Confident | 78.5 | Confident | 159 Ų | 159 | 67.9 Ų | 67.9 | 60% | 0.602 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.7 | -28.9 | 176.1 | 52.9 | 78.9 | 0 | 0 | 0 | 113.8 | A186 W190 T191 A192 | A186-W188 HydrophobicContact CB-CD2 3.78Å; A186-W188 HydrophobicContact CB-CE3 4.35Å; A186-W188 HydrophobicContact CB-CG 4.24Å; A186-W188 HydrophobicContact CB-CH2 4.14Å; A186-W188 HydrophobicContact CB-CZ2 3.51Å; A186-W188 PolarHBondContact O-N 2.87Å; A186-W188 VanDerWaalsContact O-N 3.14Å; W188-W190 PolarHBondContact O-N 2.77Å; W188-T191 PolarHBondContact O-N 2.88Å; W188-A192 WeakPolarHBondContact O-CB 3.5Å; W188-A192 PolarHBondContact O-N 3.32Å |
| 189 | A | 66 | Low | 77.1 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -30.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y183 A186 P187 Y193 | Y183-A189 WeakPolarHBondContact O-CB 3.39Å; A186-A189 WeakPolarHBondContact O-CA 3.39Å; A186-A189 VanDerWaalsContact O-CB 3.23Å; A186-A189 WeakPolarHBondContact O-CB 3.26Å; A186-A189 PolarHBondContact O-N 3.15Å; P187-A189 VanDerWaalsContact C-N 3.31Å; P187-A189 PolarHBondContact O-N 3.44Å; A189-Y193 VanDerWaalsContact O-CB 3.23Å; A189-Y193 WeakPolarHBondContact O-CB 3.28Å; A189-Y193 PolarHBondContact O-N 3.39Å |
| 190 | W | 62.6 | Low | 75.6 | Confident | 43 Ų | 43 | 73.7 Ų | 73.7 | 16% | 0.163 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.6 | -45.2 | 174.9 | -86.5 | 74.7 | 0 | 0 | 0 | 112.8 | L29 R31 A186 P187 W188 A192 Y193 I194 | L29-W190 HydrophobicContact CB-CH2 4.02Å; L29-W190 HydrophobicContact CD2-CH2 3.81Å; L29-W190 HydrophobicContact CD2-CZ3 4.37Å; L29-W190 WeakPolarHBondContact O-CH2 3.38Å; L29-W190 VanDerWaalsContact O-CZ2 3.29Å; L29-W190 WeakPolarHBondContact O-CZ2 3.26Å; R31-W190 VanDerWaalsContact NH2-CG 3.3Å; A186-W190 PolarHBondContact O-N 2.99Å; P187-W190 WeakPolarHBondContact O-CB 3.07Å; P187-W190 PolarHBondContact O-N 3.42Å; P187-W190 VanDerWaalsContact O-N 3.14Å; W188-W190 PolarHBondContact O-N 2.77Å; W190-A192 VanDerWaalsContact C-N 3.31Å; W190-A192 PolarHBondContact O-N 3Å; W190-Y193 PolarHBondContact O-N 3.25Å; W190-I194 HydrophobicContact CE3-CD1 4.36Å; W190-I194 WeakPolarHBondContact O-CB 3.41Å; W190-I194 VanDerWaalsContact O-CG1 3.32Å; W190-I194 WeakPolarHBondContact O-CG1 3.38Å; W190-I194 PolarHBondContact O-N 2.74Å |
| 191 | T | 66.2 | Low | 74.1 | Confident | 83 Ų | 83 | 78 Ų | 78 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 173.3 | -45.4 | 0 | 0 | 0 | 0 | 110.8 | P187 W188 N195 | P187-T191 PolarHBondContact O-N 3.17Å; P187-T191 PolarHBondContact O-OG1 3.22Å; W188-T191 PolarHBondContact O-N 2.88Å; T191-N195 VanDerWaalsContact O-CB 3.29Å; T191-N195 WeakPolarHBondContact O-CB 3.4Å; T191-N195 PolarHBondContact O-N 3.11Å; T191-N195 PolarHBondContact O-ND2 2.75Å |
| 192 | A | 68.5 | Low | 72.4 | Confident | 60 Ų | 60 | 86 Ų | 86 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | W188 W190 N195 R196 | W188-A192 WeakPolarHBondContact O-CB 3.5Å; W188-A192 PolarHBondContact O-N 3.32Å; W190-A192 VanDerWaalsContact C-N 3.31Å; W190-A192 PolarHBondContact O-N 3Å; A192-N195 PolarHBondContact O-N 2.8Å; A192-R196 PolarHBondContact O-N 3.08Å |
| 193 | Y | 67.1 | Low | 70.9 | Confident | 71 Ų | 71 | 85.6 Ų | 85.6 | 28% | 0.278 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 177.4 | 178.8 | -92.8 | 0 | 0 | 0 | 111.9 | L29 A189 W190 N195 R196 Y197 | L29-Y193 HydrophobicContact CD2-CE1 4.42Å; A189-Y193 VanDerWaalsContact O-CB 3.23Å; A189-Y193 WeakPolarHBondContact O-CB 3.28Å; A189-Y193 PolarHBondContact O-N 3.39Å; W190-Y193 PolarHBondContact O-N 3.25Å; Y193-N195 PolarHBondContact O-N 2.93Å; Y193-R196 PolarHBondContact O-N 2.95Å; Y193-Y197 HydrophobicContact CD1-CD2 4.08Å; Y193-Y197 HydrophobicContact CD1-CE2 4.48Å; Y193-Y197 HydrophobicContact CD2-CD2 4.1Å; Y193-Y197 AromaticContact CD2-CE2 3.99Å; Y193-Y197 HydrophobicContact CD2-CE2 3.99Å; Y193-Y197 AromaticContact CE1-CD2 3.68Å; Y193-Y197 HydrophobicContact CE1-CD2 3.68Å; Y193-Y197 AromaticContact CE1-CE2 3.8Å; Y193-Y197 HydrophobicContact CE1-CE2 3.8Å; Y193-Y197 HydrophobicContact CE1-CG 4.35Å; Y193-Y197 AromaticContact CE2-CD2 3.74Å; Y193-Y197 HydrophobicContact CE2-CD2 3.74Å; Y193-Y197 AromaticContact CE2-CE2 3.23Å; Y193-Y197 HydrophobicContact CE2-CE2 3.23Å; Y193-Y197 HydrophobicContact CG-CD2 4.27Å; Y193-Y197 AromaticContact CZ-CD2 3.5Å; Y193-Y197 VanDerWaalsContact CZ-CD2 3.5Å; Y193-Y197 AromaticContact CZ-CE2 3.1Å; Y193-Y197 AromaticContact CZ-CZ 3.73Å; Y193-Y197 PolarHBondContact O-N 2.9Å; Y193-Y197 WeakPolarHBondContact OH-CE2 3.45Å; Y193-Y197 VanDerWaalsContact OH-CZ 3.24Å; Y193-Y197 PolarHBondContact OH-OH 3.5Å |
| 194 | I | 68.2 | Low | 69.5 | Low | 79 Ų | 79 | 88.4 Ų | 88.4 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.5 | -68.5 | 168.7 | 0 | 0 | 0 | 110 | W190 R196 Y197 L198 | W190-I194 HydrophobicContact CE3-CD1 4.36Å; W190-I194 WeakPolarHBondContact O-CB 3.41Å; W190-I194 VanDerWaalsContact O-CG1 3.32Å; W190-I194 WeakPolarHBondContact O-CG1 3.38Å; W190-I194 PolarHBondContact O-N 2.74Å; I194-R196 VanDerWaalsContact C-N 3.3Å; I194-R196 PolarHBondContact O-N 3.23Å; I194-Y197 PolarHBondContact O-N 3.16Å; I194-L198 HydrophobicContact CG2-CD1 3.65Å; I194-L198 HydrophobicContact CG2-CG 4.08Å; I194-L198 WeakPolarHBondContact O-CB 3.45Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.13Å |
| 195 | N | 73.2 | Confident | 68.1 | Low | 88 Ų | 88 | 94.8 Ų | 94.8 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 178.8 | -73.3 | -15.8 | 0 | 0 | 0 | 112.5 | T191 A192 Y193 K199 | T191-N195 VanDerWaalsContact O-CB 3.29Å; T191-N195 WeakPolarHBondContact O-CB 3.4Å; T191-N195 PolarHBondContact O-N 3.11Å; T191-N195 PolarHBondContact O-ND2 2.75Å; A192-N195 PolarHBondContact O-N 2.8Å; Y193-N195 PolarHBondContact O-N 2.93Å; N195-K199 WeakPolarHBondContact O-CB 2.98Å; N195-K199 VanDerWaalsContact O-CG 3.28Å; N195-K199 WeakPolarHBondContact O-CG 3.33Å; N195-K199 PolarHBondContact O-N 2.98Å |
| 196 | R | 71.5 | Confident | 66.6 | Low | 173 Ų | 173 | 101.9 Ų | 101.9 | 65% | 0.653 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.8 | -43.5 | 175.8 | -171.6 | 178.1 | 177 | -170.2 | -1.5 | 112 | A192 Y193 I194 K199 H200 | A192-R196 PolarHBondContact O-N 3.08Å; Y193-R196 PolarHBondContact O-N 2.95Å; I194-R196 VanDerWaalsContact C-N 3.3Å; I194-R196 PolarHBondContact O-N 3.23Å; R196-K199 PolarHBondContact O-N 3.4Å; R196-H200 PolarHBondContact O-CD2 3.09Å; R196-H200 PolarHBondContact O-N 3.38Å; R196-H200 VanDerWaalsContact O-N 3.14Å |
| 197 | Y | 66.5 | Low | 65.5 | Low | 127 Ų | 127 | 107.6 Ų | 107.6 | 50% | 0.498 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.5 | -97.3 | -96 | 0 | 0 | 0 | 112.2 | Y193 I194 H200 I201 | Y193-Y197 HydrophobicContact CD1-CD2 4.08Å; Y193-Y197 HydrophobicContact CD1-CE2 4.48Å; Y193-Y197 HydrophobicContact CD2-CD2 4.1Å; Y193-Y197 AromaticContact CD2-CE2 3.99Å; Y193-Y197 HydrophobicContact CD2-CE2 3.99Å; Y193-Y197 AromaticContact CE1-CD2 3.68Å; Y193-Y197 HydrophobicContact CE1-CD2 3.68Å; Y193-Y197 AromaticContact CE1-CE2 3.8Å; Y193-Y197 HydrophobicContact CE1-CE2 3.8Å; Y193-Y197 HydrophobicContact CE1-CG 4.35Å; Y193-Y197 AromaticContact CE2-CD2 3.74Å; Y193-Y197 HydrophobicContact CE2-CD2 3.74Å; Y193-Y197 AromaticContact CE2-CE2 3.23Å; Y193-Y197 HydrophobicContact CE2-CE2 3.23Å; Y193-Y197 HydrophobicContact CG-CD2 4.27Å; Y193-Y197 AromaticContact CZ-CD2 3.5Å; Y193-Y197 VanDerWaalsContact CZ-CD2 3.5Å; Y193-Y197 AromaticContact CZ-CE2 3.1Å; Y193-Y197 AromaticContact CZ-CZ 3.73Å; Y193-Y197 PolarHBondContact O-N 2.9Å; Y193-Y197 WeakPolarHBondContact OH-CE2 3.45Å; Y193-Y197 VanDerWaalsContact OH-CZ 3.24Å; Y193-Y197 PolarHBondContact OH-OH 3.5Å; I194-Y197 PolarHBondContact O-N 3.16Å; Y197-H200 PolarHBondContact O-N 2.86Å; Y197-I201 WeakPolarHBondContact O-CG1 3.2Å; Y197-I201 PolarHBondContact O-N 3.28Å; Y197-I201 VanDerWaalsContact O-N 3.15Å |
| 198 | L | 67.6 | Low | 64.5 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 40% | 0.398 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.4 | -69.5 | 177.2 | 0 | 0 | 0 | 110.6 | I194 H200 I201 W202 | I194-L198 HydrophobicContact CG2-CD1 3.65Å; I194-L198 HydrophobicContact CG2-CG 4.08Å; I194-L198 WeakPolarHBondContact O-CB 3.45Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.13Å; L198-H200 VanDerWaalsContact C-N 3.25Å; L198-H200 PolarHBondContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 2.7Å; L198-W202 PolarHBondContact O-N 3.35Å |
| 199 | K | 64.7 | Low | 64.1 | Low | 153 Ų | 153 | 108.2 Ų | 108.2 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -52.9 | -43.3 | 175 | -82.7 | -177.2 | -179.4 | -170.5 | 0 | 112.1 | N195 R196 I201 W202 T203 | N195-K199 WeakPolarHBondContact O-CB 2.98Å; N195-K199 VanDerWaalsContact O-CG 3.28Å; N195-K199 WeakPolarHBondContact O-CG 3.33Å; N195-K199 PolarHBondContact O-N 2.98Å; R196-K199 PolarHBondContact O-N 3.4Å; K199-I201 PolarHBondContact O-N 3.15Å; K199-W202 PolarHBondContact O-N 3.16Å; K199-T203 WeakPolarHBondContact O-CB 3.15Å; K199-T203 WeakPolarHBondContact O-CG2 3.33Å; K199-T203 PolarHBondContact O-N 3.23Å; K199-T203 PolarHBondContact O-OG1 3.35Å |
| 200 | H | 61.6 | Low | 64 | Low | 101 Ų | 101 | 113.2 Ų | 113.2 | 47% | 0.468 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.4 | -35.4 | 177 | -77.7 | -59 | 0 | 0 | 0 | 113.8 | R196 Y197 L198 T203 R204 | R196-H200 PolarHBondContact O-CD2 3.09Å; R196-H200 PolarHBondContact O-N 3.38Å; R196-H200 VanDerWaalsContact O-N 3.14Å; Y197-H200 PolarHBondContact O-N 2.86Å; L198-H200 VanDerWaalsContact C-N 3.25Å; L198-H200 PolarHBondContact O-N 3.15Å; H200-T203 WeakPolarHBondContact CA-OG1 3.49Å; H200-T203 PolarHBondContact O-OG1 3.21Å; H200-T203 VanDerWaalsContact O-OG1 3.09Å; H200-R204 WeakPolarHBondContact O-CB 3.48Å; H200-R204 WeakPolarHBondContact O-CG 3.48Å; H200-R204 PolarHBondContact O-N 3.34Å; H200-R204 VanDerWaalsContact O-N 3.16Å |
| 201 | I | 63.8 | Low | 64.1 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.6 | -45.4 | 175.7 | -64.5 | 169.1 | 0 | 0 | 0 | 110.7 | Y197 L198 K199 R204 K205 | Y197-I201 WeakPolarHBondContact O-CG1 3.2Å; Y197-I201 PolarHBondContact O-N 3.28Å; Y197-I201 VanDerWaalsContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 2.7Å; K199-I201 PolarHBondContact O-N 3.15Å; I201-R204 PolarHBondContact O-N 3.39Å; I201-K205 PolarHBondContact O-N 3.18Å; I201-K205 VanDerWaalsContact O-N 3.11Å |
| 202 | W | 58.2 | Low | 64 | Low | 168 Ų | 168 | 119.1 Ų | 119.1 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.1 | -38.3 | 179.4 | -69 | 105.4 | 0 | 0 | 0 | 112.3 | L198 K199 R204 K205 L206 | L198-W202 PolarHBondContact O-N 3.35Å; K199-W202 PolarHBondContact O-N 3.16Å; W202-R204 VanDerWaalsContact C-N 3.33Å; W202-R204 PolarHBondContact O-N 2.82Å; W202-K205 PolarHBondContact O-N 3.21Å; W202-L206 PolarHBondContact O-N 3.3Å |
| 203 | T | 61.7 | Low | 63.7 | Low | 76 Ų | 76 | 122.8 Ų | 122.8 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66 | -35.2 | 173.9 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | K199 H200 L206 T207 | K199-T203 WeakPolarHBondContact O-CB 3.15Å; K199-T203 WeakPolarHBondContact O-CG2 3.33Å; K199-T203 PolarHBondContact O-N 3.23Å; K199-T203 PolarHBondContact O-OG1 3.35Å; H200-T203 WeakPolarHBondContact CA-OG1 3.49Å; H200-T203 PolarHBondContact O-OG1 3.21Å; H200-T203 VanDerWaalsContact O-OG1 3.09Å; T203-L206 PolarHBondContact O-N 2.73Å; T203-T207 WeakPolarHBondContact O-CG2 3Å; T203-T207 PolarHBondContact O-N 3.48Å; T203-T207 PolarHBondContact O-OG1 2.96Å |
| 204 | R | 59.9 | Low | 63.5 | Low | 195 Ų | 195 | 126.2 Ų | 126.2 | 74% | 0.736 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.4 | -30.9 | 176.7 | -80.7 | -175.8 | 173.4 | -163.5 | -1.9 | 113.1 | H200 I201 W202 S208 | H200-R204 WeakPolarHBondContact O-CB 3.48Å; H200-R204 WeakPolarHBondContact O-CG 3.48Å; H200-R204 PolarHBondContact O-N 3.34Å; H200-R204 VanDerWaalsContact O-N 3.16Å; I201-R204 PolarHBondContact O-N 3.39Å; W202-R204 VanDerWaalsContact C-N 3.33Å; W202-R204 PolarHBondContact O-N 2.82Å; R204-S208 PolarHBondContact O-OG 3.34Å |
| 205 | K | 61.1 | Low | 63.1 | Low | 146 Ų | 146 | 129.6 Ų | 129.6 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.5 | -17.1 | 175.3 | -80.2 | -169.3 | 173.4 | -170.4 | 0 | 114.4 | I201 W202 | I201-K205 PolarHBondContact O-N 3.18Å; I201-K205 VanDerWaalsContact O-N 3.11Å; W202-K205 PolarHBondContact O-N 3.21Å |
| 206 | L | 61.6 | Low | 62.4 | Low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -94.6 | -8.2 | 177.4 | -71.1 | 169.7 | 0 | 0 | 0 | 113 | W202 T203 | W202-L206 PolarHBondContact O-N 3.3Å; T203-L206 PolarHBondContact O-N 2.73Å |
| 207 | T | 59.9 | Low | 61.6 | Low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -117.5 | 16.2 | -179.1 | 62 | 0 | 0 | 0 | 0 | 113 | T203 | T203-T207 WeakPolarHBondContact O-CG2 3Å; T203-T207 PolarHBondContact O-N 3.48Å; T203-T207 PolarHBondContact O-OG1 2.96Å | ||
| 208 | S | 52.8 | Low | 61.2 | Low | 149 Ų | 149 | 129.6 Ų | 129.6 | 100% | 1.042 | 64% | 0.64 | S | S | * | * | trans | -125.2 | 0 | 174.4 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | R204 | R204-S208 PolarHBondContact O-OG 3.34Š|
Retrieved 208 of 208 residues in 80.7 ms
(Link to these results)