| 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 | 33.4 | Very low | 24.6 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 100% | 1.158 | 80% | 0.796 | S | S | * | * | 0 | 119.4 | 0 | -66.6 | 155.7 | 85.8 | 0 | 0 | 106.7 | |||||
| 2 | S | 29.3 | Very low | 24.2 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | 47.3 | 115.7 | 109.6 | -164.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3 | S | 27.2 | Very low | 24.1 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -148.6 | 132.5 | 23.5 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | L5 | S3-L5 PolarHBondContact O-N 3.35Š| ||
| 4 | A | 25.6 | Very low | 24 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -78.9 | 112.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | R6 | A4-R6 PolarHBondContact O-N 3.31Š| ||
| 5 | L | 24.7 | Very low | 24 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -54.8 | 109.8 | 172.5 | -110.2 | 73.8 | 0 | 0 | 0 | 109.8 | S3 F7 | S3-L5 PolarHBondContact O-N 3.35Å; L5-F7 PolarHBondContact O-N 3.18Å; L5-F7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | R | 23.5 | Very low | 24 | Very low | 241 Ų | 241 | 136.1 Ų | 136.1 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -72.7 | 100.4 | 169.9 | -75.7 | -177.1 | 173.7 | 176.9 | -0.8 | 108.5 | A4 L8 | A4-R6 PolarHBondContact O-N 3.31Å; R6-L8 VanDerWaalsContact C-N 3.35Å; R6-L8 PolarHBondContact O-N 2.95Å | ||
| 7 | F | 23.2 | Very low | 24.2 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -60.1 | 98.8 | 164.2 | -86.5 | -92 | 0 | 0 | 0 | 109.4 | L5 V9 | L5-F7 PolarHBondContact O-N 3.18Å; L5-F7 VanDerWaalsContact O-N 3.07Å; F7-V9 HydrophobicContact CB-CG2 4.3Å; F7-V9 PolarHBondContact O-N 3.36Å | ||
| 8 | L | 20.8 | Very low | 24.4 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | -74.6 | 78.8 | 169.6 | -169.1 | 81.8 | 0 | 0 | 0 | 108 | R6 L10 | R6-L8 VanDerWaalsContact C-N 3.35Å; R6-L8 PolarHBondContact O-N 2.95Å; L8-L10 VanDerWaalsContact C-N 3.27Å; L8-L10 HydrophobicContact CD2-CD1 4.16Å; L8-L10 PolarHBondContact O-N 2.9Å | ||
| 9 | V | 20.9 | Very low | 24.9 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 60% | 0.6 | 68% | 0.683 | S | S | * | * | trans | -68.4 | 91.9 | 174.6 | -175 | 0 | 0 | 0 | 0 | 108.4 | F7 F11 | F7-V9 HydrophobicContact CB-CG2 4.3Å; F7-V9 PolarHBondContact O-N 3.36Å; V9-F11 HydrophobicContact CB-CD2 4.42Å; V9-F11 HydrophobicContact CB-CE2 4.37Å; V9-F11 HydrophobicContact CG1-CD2 3.68Å; V9-F11 HydrophobicContact CG1-CE2 3.52Å; V9-F11 HydrophobicContact CG1-CZ 4.26Å; V9-F11 PolarHBondContact O-N 2.95Å | ||
| 10 | L | 20 | Very low | 25.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | trans | -70.8 | 83.5 | 174.6 | -123.8 | 153.6 | 0 | 0 | 0 | 107.9 | L8 V12 | L8-L10 VanDerWaalsContact C-N 3.27Å; L8-L10 HydrophobicContact CD2-CD1 4.16Å; L8-L10 PolarHBondContact O-N 2.9Å; L10-V12 HydrophobicContact CD2-CG2 4.38Å; L10-V12 PolarHBondContact O-N 3.13Å | ||
| 11 | F | 21.7 | Very low | 26.1 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 77% | 0.768 | 66% | 0.658 | S | S | * | * | trans | -64 | 87.6 | 165 | -84.9 | -84.1 | 0 | 0 | 0 | 108.5 | V9 T13 | V9-F11 HydrophobicContact CB-CD2 4.42Å; V9-F11 HydrophobicContact CB-CE2 4.37Å; V9-F11 HydrophobicContact CG1-CD2 3.68Å; V9-F11 HydrophobicContact CG1-CE2 3.52Å; V9-F11 HydrophobicContact CG1-CZ 4.26Å; V9-F11 PolarHBondContact O-N 2.95Å; F11-T13 PolarHBondContact O-N 2.97Å; F11-T13 PolarHBondContact O-OG1 2.79Å | ||
| 12 | V | 20.5 | Very low | 26.5 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | trans | -61 | 90.2 | 162 | 179.4 | 0 | 0 | 0 | 0 | 106 | L10 V14 | L10-V12 HydrophobicContact CD2-CG2 4.38Å; L10-V12 PolarHBondContact O-N 3.13Å; V12-V14 VanDerWaalsContact C-N 3.3Å; V12-V14 HydrophobicContact CG1-CG2 4.38Å; V12-V14 PolarHBondContact O-N 3.19Å | ||
| 13 | T | 22.9 | Very low | 27.5 | Very low | 63 Ų | 63 | 128.5 Ų | 128.5 | 39% | 0.387 | 64% | 0.635 | S | S | . | * | trans | -67.9 | 99.2 | 169.3 | -35 | 0 | 0 | 0 | 0 | 105 | F11 Y15 H611 | F11-T13 PolarHBondContact O-N 2.97Å; F11-T13 PolarHBondContact O-OG1 2.79Å; T13-Y15 PolarHBondContact O-N 3.26Å; T13-H611 PolarHBondContact OG1-ND1 3.12Å | ||
| 14 | V | 21.9 | Very low | 29 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | trans | -62.5 | 94.8 | 168.5 | 178.6 | 0 | 0 | 0 | 0 | 106.1 | V12 E16 | V12-V14 VanDerWaalsContact C-N 3.3Å; V12-V14 HydrophobicContact CG1-CG2 4.38Å; V12-V14 PolarHBondContact O-N 3.19Å; V14-E16 PolarHBondContact O-N 3.33Å | ||
| 15 | Y | 24.4 | Very low | 30.9 | Very low | 57 Ų | 57 | 123.5 Ų | 123.5 | 22% | 0.224 | 59% | 0.587 | C | S | . | * | trans | -63.7 | 107.7 | 160.3 | -81.2 | -82.3 | 0 | 0 | 0 | 106.1 | T13 F17 Q609 L610 H611 | T13-Y15 PolarHBondContact O-N 3.26Å; Y15-F17 HydrophobicContact CG-CD2 4.38Å; Y15-F17 HydrophobicContact CG-CE2 4.44Å; Y15-F17 PolarHBondContact O-N 3.33Å; Y15-Q609 HydrophobicContact CE1-CB 4.35Å; Y15-Q609 HydrophobicContact CE1-CG 4.37Å; Y15-Q609 HydrophobicContact CE2-CB 4.25Å; Y15-Q609 HydrophobicContact CE2-CG 3.86Å; Y15-Q609 WeakPolarHBondContact OH-CA 3.48Å; Y15-Q609 VanDerWaalsContact OH-CB 3.29Å; Y15-Q609 WeakPolarHBondContact OH-CB 3.35Å; Y15-L610 HydrophobicContact CE1-CB 4.38Å; Y15-L610 VanDerWaalsContact CE1-N 3.33Å; Y15-L610 VanDerWaalsContact CE1-O 3.26Å; Y15-L610 WeakPolarHBondContact CE1-O 3.11Å; Y15-L610 PolarHBondContact OH-N 2.77Å; Y15-L610 VanDerWaalsContact OH-N 3.16Å; Y15-L610 PolarHBondContact OH-O 2.84Å; Y15-H611 AromaticContact CE2-CE1 3.66Å; Y15-H611 AromaticContact CE2-NE2 3.95Å; Y15-H611 AromaticContact CZ-CE1 3.98Å; Y15-H611 AromaticContact CZ-NE2 4Å; Y15-H611 PolarHBondContact OH-CD2 3.32Å; Y15-H611 PolarHBondContact OH-CE1 3.23Å; Y15-H611 PolarHBondContact OH-N 2.92Å; Y15-H611 PolarHBondContact OH-ND1 2.84Å; Y15-H611 PolarHBondContact OH-NE2 2.77Å; Y15-H611 VanDerWaalsContact OH-NE2 3.11Å | ||
| 16 | E | 24.5 | Very low | 32.8 | Very low | 156 Ų | 156 | 116.7 Ų | 116.7 | 73% | 0.729 | 55% | 0.551 | S | S | * | * | trans | -59.4 | 76.4 | 140.1 | -77.5 | -160.6 | 145.6 | 0 | 0 | 107.4 | V14 K18 | V14-E16 PolarHBondContact O-N 3.33Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 3.12Å | ||
| 17 | F | 27.6 | Very low | 35 | Very low | 82 Ų | 82 | 108.5 Ų | 108.5 | 36% | 0.36 | 52% | 0.523 | S | S | . | . | trans | -52.6 | 112.6 | 147.2 | -99 | -87 | 0 | 0 | 0 | 104.3 | Y15 C19 Q607 | Y15-F17 HydrophobicContact CG-CD2 4.38Å; Y15-F17 HydrophobicContact CG-CE2 4.44Å; Y15-F17 PolarHBondContact O-N 3.33Å; F17-C19 PolarHBondContact O-N 2.94Å; F17-Q607 HydrophobicContact CE1-CG 4.37Å; F17-Q607 HydrophobicContact CZ-CB 4.3Å; F17-Q607 HydrophobicContact CZ-CG 4.07Å | ||
| 18 | K | 27.8 | Very low | 36.7 | Very low | 166 Ų | 166 | 100.4 Ų | 100.4 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | trans | -70.1 | 72.5 | 167.1 | -75.9 | 177.2 | 173.9 | 166 | 0 | 107.8 | E16 F20 | E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 3.12Å; K18-F20 PolarHBondContact O-N 3.26Å | ||
| 19 | C | 32.4 | Very low | 38.7 | Very low | 54 Ų | 54 | 96.1 Ų | 96.1 | 37% | 0.365 | 47% | 0.465 | S | S | . | . | trans | -44.6 | 113.2 | 157.1 | -156.4 | 0 | 0 | 0 | 0 | 105.3 | F17 C21 | F17-C19 PolarHBondContact O-N 2.94Å; C19-C21 WeakPolarHBondContact CA-SG 3.44Å; C19-C21 HydrophobicContact CB-CB 3.66Å; C19-C21 WeakPolarHBondContact CB-SG 3.44Å; C19-C21 PolarHBondContact O-N 3.12Å; C19-C21 WeakPolarHBondContact SG-CB 3.4Å; C19-C21 CovalentContact SG-SG 2.03Å; C19-C21 PolarHBondContact SG-SG 2.81Å | ||
| 20 | F | 36.4 | Very low | 40.7 | Very low | 157 Ų | 157 | 91.7 Ų | 91.7 | 69% | 0.689 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.9 | 62.6 | 169.6 | -91.2 | -89.3 | 0 | 0 | 0 | 107.8 | K18 Q43 | K18-F20 PolarHBondContact O-N 3.26Å; F20-Q43 WeakPolarHBondContact O-CB 3.5Å; F20-Q43 VanDerWaalsContact O-CD 3.27Å; F20-Q43 PolarHBondContact O-OE1 2.93Å |
| 21 | C | 39 | Very low | 42.3 | Very low | 25 Ų | 25 | 88.6 Ų | 88.6 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | trans | -124.8 | 17.2 | -163.5 | -58 | 0 | 0 | 0 | 0 | 110 | C19 F45 L97 S98 | C19-C21 WeakPolarHBondContact CA-SG 3.44Å; C19-C21 HydrophobicContact CB-CB 3.66Å; C19-C21 WeakPolarHBondContact CB-SG 3.44Å; C19-C21 PolarHBondContact O-N 3.12Å; C19-C21 WeakPolarHBondContact SG-CB 3.4Å; C19-C21 CovalentContact SG-SG 2.03Å; C19-C21 PolarHBondContact SG-SG 2.81Å; C21-F45 HydrophobicContact CB-CE1 4.49Å; C21-L97 WeakPolarHBondContact CB-O 3.4Å; C21-S98 PolarHBondContact O-OG 3.06Å | ||
| 22 | R | 42.9 | Very low | 44 | Very low | 202 Ų | 202 | 82.5 Ų | 82.5 | 76% | 0.762 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -78.1 | -37.3 | -161.7 | -107.5 | -175.2 | -178 | -165.5 | -0.2 | 114.5 | ||
| 23 | Y | 50.2 | Low | 46 | Very low | 189 Ų | 189 | 80.2 Ų | 80.2 | 74% | 0.741 | 38% | 0.382 | S | S | * | . | trans | -154.7 | 119.8 | 173.8 | -62.5 | -73.1 | 0 | 0 | 0 | 109.5 | Q43 | Y23-Q43 PolarHBondContact O-NE2 3.33Š| ||
| 24 | I | 57.7 | Low | 48.3 | Very low | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | trans | -99.3 | 134.5 | 155.3 | -59.6 | -178.4 | 0 | 0 | 0 | 105.9 | W40 F45 Y88 V90 S100 | I24-W40 HydrophobicContact CG2-CB 4.21Å; I24-F45 HydrophobicContact CD1-CE2 3.82Å; I24-F45 HydrophobicContact CD1-CZ 3.67Å; I24-F45 HydrophobicContact CG1-CZ 4.23Å; I24-Y88 HydrophobicContact CD1-CD1 4.14Å; I24-Y88 HydrophobicContact CD1-CE1 3.71Å; I24-Y88 HydrophobicContact CG2-CD1 3.8Å; I24-Y88 HydrophobicContact CG2-CE1 3.94Å; I24-V90 HydrophobicContact CD1-CG2 3.54Å; I24-S100 WeakPolarHBondContact O-CB 3.27Å; I24-S100 PolarHBondContact O-OG 3.4Å | ||
| 25 | N | 65.6 | Low | 50.8 | Low | 82 Ų | 82 | 75.9 Ų | 75.9 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | trans | -104.6 | 107.7 | 172.7 | -159.9 | 14.3 | 0 | 0 | 0 | 107.6 | W40 | N25-W40 WeakPolarHBondContact O-CA 3.34Š| ||
| 26 | L | 64.1 | Low | 52.8 | Low | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.2 | 165.2 | 176.5 | 69.1 | 0 | 0 | 0 | 107.7 | L38 W40 L53 F86 S100 | L26-L38 HydrophobicContact CD1-CB 4.39Å; L26-W40 HydrophobicContact CD1-CB 4.15Å; L26-W40 HydrophobicContact CD1-CE3 3.95Å; L26-L53 HydrophobicContact CD1-CD1 3.9Å; L26-L53 HydrophobicContact CD2-CD1 4.46Å; L26-F86 HydrophobicContact CD2-CB 3.85Å; L26-F86 WeakPolarHBondContact CD2-O 3.12Å; L26-S100 PolarHBondContact N-OG 2.88Å |
| 27 | H | 70.9 | Confident | 55.1 | Low | 70 Ų | 70 | 67.4 Ų | 67.4 | 32% | 0.324 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.7 | 172.9 | 61.3 | -96.4 | 0 | 0 | 0 | 110.5 | Q39 | H27-Q39 PolarHBondContact N-O 2.87Å; H27-Q39 PolarHBondContact NE2-OE1 2.85Å; H27-Q39 PolarHBondContact O-N 2.95Å; H27-Q39 VanDerWaalsContact O-O 3.13Å |
| 28 | G | 58.8 | Low | 57 | Low | 8 Ų | 8 | 63.5 Ų | 63.5 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 163 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I37 Y102 | G28-I37 CarbonylContact C-O 3.56Å; G28-I37 WeakPolarHBondContact CA-O 3.41Å; G28-Y102 VanDerWaalsContact N-CD1 3.32Å; G28-Y102 PolarHBondContact O-OH 3.01Å; G28-Y102 VanDerWaalsContact O-OH 3.08Å |
| 29 | K | 63.7 | Low | 59 | Low | 58 Ų | 58 | 58.7 Ų | 58.7 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 137.2 | 163.2 | 49.6 | 167.9 | 177.3 | 158.4 | 0 | 110.5 | I31 I37 | K29-I31 HydrophobicContact CD-CD1 4.1Å; K29-I31 HydrophobicContact CD-CG1 4.02Å; K29-I31 HydrophobicContact CG-CD1 4.3Å; K29-I31 HydrophobicContact CG-CG1 4Å; K29-I31 PolarHBondContact O-N 3.24Å; K29-I37 PolarHBondContact N-O 2.84Å; K29-I37 PolarHBondContact O-N 3.4Å |
| 30 | Q | 61.2 | Low | 60.7 | Low | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.1 | 161 | -177.2 | 174.6 | -12.9 | 0 | 0 | 108 | T32 Y106 I107 F111 | Q30-T32 WeakPolarHBondContact CG-O 3.15Å; Q30-T32 PolarHBondContact NE2-O 3.22Å; Q30-Y106 HydrophobicContact CB-CD2 4.48Å; Q30-Y106 HydrophobicContact CG-CD2 4.03Å; Q30-Y106 HydrophobicContact CG-CE2 3.74Å; Q30-I107 PolarHBondContact NE2-O 3.35Å; Q30-I107 PolarHBondContact OE1-O 3.1Å; Q30-F111 HydrophobicContact CG-CE2 4.24Å |
| 31 | I | 53.5 | Low | 61.9 | Low | 65 Ų | 65 | 52.7 Ų | 52.7 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -31.3 | 178.5 | -57.1 | -163.6 | 0 | 0 | 0 | 111.4 | K29 E35 I37 F111 | K29-I31 HydrophobicContact CD-CD1 4.1Å; K29-I31 HydrophobicContact CD-CG1 4.02Å; K29-I31 HydrophobicContact CG-CD1 4.3Å; K29-I31 HydrophobicContact CG-CG1 4Å; K29-I31 PolarHBondContact O-N 3.24Å; I31-E35 PolarHBondContact N-O 3.03Å; I31-E35 VanDerWaalsContact N-O 3.11Å; I31-I37 HydrophobicContact CD1-CB 3.76Å; I31-I37 HydrophobicContact CD1-CD1 3.55Å; I31-I37 HydrophobicContact CD1-CG1 3.58Å; I31-I37 HydrophobicContact CG1-CB 4.2Å; I31-I37 HydrophobicContact CG1-CD1 4.46Å; I31-I37 HydrophobicContact CG1-CG1 4.03Å; I31-F111 WeakPolarHBondContact O-CZ 3.33Å |
| 32 | T | 58.1 | Low | 62.7 | Low | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 168.5 | -177.8 | 54 | 0 | 0 | 0 | 0 | 109.6 | Q30 G34 E35 | Q30-T32 WeakPolarHBondContact CG-O 3.15Å; Q30-T32 PolarHBondContact NE2-O 3.22Å; T32-G34 PolarHBondContact O-N 3.45Å; T32-E35 WeakPolarHBondContact CG2-OE2 3.39Å; T32-E35 WeakPolarHBondContact OG1-CB 3.41Å; T32-E35 WeakPolarHBondContact OG1-CG 3.26Å; T32-E35 PolarHBondContact OG1-N 2.85Å; T32-E35 PolarHBondContact OG1-OE2 3.04Å |
| 33 | D | 63.1 | Low | 63.3 | Low | 65 Ų | 65 | 46.2 Ų | 46.2 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 94.7 | 160.8 | -67.1 | -45.2 | 0 | 0 | 0 | 107.3 | Q109 M110 F111 | D33-Q109 VanDerWaalsContact CG-CA 3.5Å; D33-Q109 VanDerWaalsContact OD1-CA 3.25Å; D33-Q109 WeakPolarHBondContact OD1-CA 3.2Å; D33-Q109 PolarHBondContact OD1-N 3.14Å; D33-M110 PolarHBondContact OD1-N 3.37Å; D33-F111 PolarHBondContact OD2-N 2.76Å |
| 34 | G | 70 | Confident | 63.5 | Low | 20 Ų | 20 | 49 Ų | 49 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 135.3 | -17.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T32 N76 T77 Y106 | T32-G34 PolarHBondContact O-N 3.45Å; G34-N76 CarbonylContact O-C 3.45Å; G34-N76 WeakPolarHBondContact O-CA 3.35Å; G34-T77 WeakPolarHBondContact CA-OG1 3.47Å; G34-T77 PolarHBondContact O-N 2.81Å; G34-T77 PolarHBondContact O-OG1 3.06Å; G34-Y106 PolarHBondContact N-OH 3.34Å |
| 35 | E | 74.4 | Confident | 63.3 | Low | 74 Ų | 74 | 50.2 Ų | 50.2 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.7 | -174.9 | -51.1 | 166 | 115.2 | 0 | 0 | 114.5 | I31 T32 T74 V75 | I31-E35 PolarHBondContact N-O 3.03Å; I31-E35 VanDerWaalsContact N-O 3.11Å; T32-E35 WeakPolarHBondContact CG2-OE2 3.39Å; T32-E35 WeakPolarHBondContact OG1-CB 3.41Å; T32-E35 WeakPolarHBondContact OG1-CG 3.26Å; T32-E35 PolarHBondContact OG1-N 2.85Å; T32-E35 PolarHBondContact OG1-OE2 3.04Å; E35-T74 HydrophobicContact CB-CG2 3.97Å; E35-T74 HydrophobicContact CG-CG2 4.19Å; E35-V75 WeakPolarHBondContact CA-O 3.19Å |
| 36 | I | 67.9 | Low | 62.7 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.5 | 164.2 | -63.2 | 161.7 | 0 | 0 | 0 | 108.1 | L38 T74 V75 T77 Y84 F86 L104 Y106 | I36-L38 HydrophobicContact CG2-CD2 3.74Å; I36-L38 HydrophobicContact CG2-CG 4.24Å; I36-T74 WeakPolarHBondContact O-CA 3.31Å; I36-V75 HydrophobicContact CB-CB 4.45Å; I36-V75 PolarHBondContact N-O 3.06Å; I36-V75 PolarHBondContact O-N 3.32Å; I36-T77 HydrophobicContact CB-CG2 4.41Å; I36-T77 HydrophobicContact CD1-CG2 3.43Å; I36-T77 VanDerWaalsContact CD1-CG2 3.43Å; I36-T77 HydrophobicContact CG1-CG2 3.62Å; I36-Y84 HydrophobicContact CD1-CD1 3.9Å; I36-Y84 HydrophobicContact CD1-CD2 3.8Å; I36-Y84 HydrophobicContact CD1-CE1 4.06Å; I36-Y84 HydrophobicContact CD1-CE2 3.98Å; I36-Y84 HydrophobicContact CD1-CG 3.79Å; I36-F86 HydrophobicContact CD1-CE2 4.37Å; I36-F86 HydrophobicContact CD1-CZ 4.04Å; I36-F86 HydrophobicContact CG2-CE2 4.28Å; I36-F86 HydrophobicContact CG2-CZ 4.23Å; I36-L104 HydrophobicContact CB-CD2 4.32Å; I36-L104 HydrophobicContact CD1-CD2 3.86Å; I36-L104 HydrophobicContact CG1-CD2 3.75Å; I36-L104 HydrophobicContact CG2-CD2 3.6Å; I36-Y106 HydrophobicContact CD1-CD2 4.09Å; I36-Y106 HydrophobicContact CG1-CD2 3.95Å |
| 37 | I | 72 | Confident | 62.2 | Low | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.3 | 165.7 | -59.1 | -156.2 | 0 | 0 | 0 | 109.5 | G28 K29 I31 Q39 L73 T74 | G28-I37 CarbonylContact C-O 3.56Å; G28-I37 WeakPolarHBondContact CA-O 3.41Å; K29-I37 PolarHBondContact N-O 2.84Å; K29-I37 PolarHBondContact O-N 3.4Å; I31-I37 HydrophobicContact CD1-CB 3.76Å; I31-I37 HydrophobicContact CD1-CD1 3.55Å; I31-I37 HydrophobicContact CD1-CG1 3.58Å; I31-I37 HydrophobicContact CG1-CB 4.2Å; I31-I37 HydrophobicContact CG1-CD1 4.46Å; I31-I37 HydrophobicContact CG1-CG1 4.03Å; I37-Q39 HydrophobicContact CG2-CG 4.12Å; I37-L73 WeakPolarHBondContact CA-O 3.45Å; I37-T74 HydrophobicContact CG1-CG2 4.17Å |
| 38 | L | 67.7 | Low | 61.9 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 144 | 168.6 | -55.3 | 178.5 | 0 | 0 | 0 | 109.4 | L26 I36 W40 L53 T72 L73 V75 F86 | L26-L38 HydrophobicContact CD1-CB 4.39Å; I36-L38 HydrophobicContact CG2-CD2 3.74Å; I36-L38 HydrophobicContact CG2-CG 4.24Å; L38-W40 HydrophobicContact CB-CZ3 4.25Å; L38-L53 HydrophobicContact CB-CD1 4.49Å; L38-L53 HydrophobicContact CD1-CD1 3.61Å; L38-L53 HydrophobicContact CD1-CD2 3.65Å; L38-L53 HydrophobicContact CD1-CG 4.29Å; L38-T72 CarbonylContact O-C 3.53Å; L38-T72 WeakPolarHBondContact O-CA 3.46Å; L38-L73 HydrophobicContact CB-CB 4.45Å; L38-L73 PolarHBondContact N-O 3.26Å; L38-L73 PolarHBondContact O-N 3.03Å; L38-V75 HydrophobicContact CD1-CG2 4.07Å; L38-F86 HydrophobicContact CD1-CB 4.46Å; L38-F86 HydrophobicContact CD1-CD1 3.54Å; L38-F86 HydrophobicContact CD1-CD2 4.35Å; L38-F86 HydrophobicContact CD1-CE1 3.64Å; L38-F86 HydrophobicContact CD1-CE2 4.44Å; L38-F86 HydrophobicContact CD1-CG 3.89Å; L38-F86 HydrophobicContact CD1-CZ 4.09Å; L38-F86 HydrophobicContact CD2-CD1 4.4Å; L38-F86 HydrophobicContact CD2-CD2 3.73Å; L38-F86 HydrophobicContact CD2-CE1 4.36Å; L38-F86 HydrophobicContact CD2-CE2 3.69Å; L38-F86 HydrophobicContact CD2-CG 4.07Å; L38-F86 HydrophobicContact CD2-CZ 4Å; L38-F86 HydrophobicContact CG-CE1 4.47Å; L38-F86 HydrophobicContact CG-CZ 4.45Å |
| 39 | Q | 70.1 | Confident | 62.5 | Low | 65 Ų | 65 | 60.7 Ų | 60.7 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.3 | 173.1 | -43.7 | -168.8 | -50.5 | 0 | 0 | 110 | H27 I37 H71 T72 | H27-Q39 PolarHBondContact N-O 2.87Å; H27-Q39 PolarHBondContact NE2-OE1 2.85Å; H27-Q39 PolarHBondContact O-N 2.95Å; H27-Q39 VanDerWaalsContact O-O 3.13Å; I37-Q39 HydrophobicContact CG2-CG 4.12Å; Q39-H71 VanDerWaalsContact CA-O 3.29Å; Q39-H71 WeakPolarHBondContact CA-O 3.2Å; Q39-T72 HydrophobicContact CB-CG2 4.24Å; Q39-T72 HydrophobicContact CG-CG2 3.91Å |
| 40 | W | 68 | Low | 63.2 | Low | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 163.2 | 178.8 | 57.9 | 87.4 | 0 | 0 | 0 | 111.3 | I24 N25 L26 L38 N42 L53 L66 E70 H71 L73 Y88 | I24-W40 HydrophobicContact CG2-CB 4.21Å; N25-W40 WeakPolarHBondContact O-CA 3.34Å; L26-W40 HydrophobicContact CD1-CB 4.15Å; L26-W40 HydrophobicContact CD1-CE3 3.95Å; L38-W40 HydrophobicContact CB-CZ3 4.25Å; W40-N42 PolarHBondContact NE1-OD1 2.78Å; W40-L53 HydrophobicContact CE3-CD1 4.26Å; W40-L53 HydrophobicContact CZ3-CD1 4.09Å; W40-L66 HydrophobicContact CH2-CD1 3.7Å; W40-L66 HydrophobicContact CH2-CD2 3.93Å; W40-L66 HydrophobicContact CH2-CG 4.42Å; W40-L66 HydrophobicContact CZ2-CD1 3.66Å; W40-L66 HydrophobicContact CZ2-CD2 4.22Å; W40-L66 HydrophobicContact CZ2-CG 4.39Å; W40-L66 HydrophobicContact CZ3-CD1 4.4Å; W40-E70 HydrophobicContact CZ2-CB 4.12Å; W40-E70 PolarHBondContact NE1-O 3.27Å; W40-H71 PolarHBondContact N-O 3.3Å; W40-L73 HydrophobicContact CH2-CB 3.72Å; W40-L73 HydrophobicContact CZ3-CB 3.69Å; W40-Y88 HydrophobicContact CB-CD1 4.45Å; W40-Y88 HydrophobicContact CB-CE1 4.48Å; W40-Y88 AromaticContact CD1-CE1 3.76Å; W40-Y88 AromaticContact CD1-CE2 3.91Å; W40-Y88 AromaticContact CD1-CZ 3.42Å; W40-Y88 VanDerWaalsContact CD1-CZ 3.42Å; W40-Y88 HydrophobicContact CD2-CD2 4.27Å; W40-Y88 HydrophobicContact CD2-CE2 4.01Å; W40-Y88 AromaticContact CE2-CE2 3.84Å; W40-Y88 HydrophobicContact CG-CD1 4.41Å; W40-Y88 HydrophobicContact CG-CD2 4.37Å; W40-Y88 HydrophobicContact CG-CE1 4.12Å; W40-Y88 HydrophobicContact CG-CE2 4.1Å; W40-Y88 AromaticContact CG-CZ 3.94Å; W40-Y88 HydrophobicContact CZ2-CE2 4.42Å; W40-Y88 AromaticContact NE1-CE2 3.75Å; W40-Y88 AromaticContact NE1-CZ 3.53Å; W40-Y88 PolarHBondContact NE1-OH 3.02Å |
| 41 | T | 60.8 | Low | 64.3 | Low | 77 Ų | 77 | 60.8 Ų | 60.8 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | trans | -106.8 | 105.1 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | Q43 | T41-Q43 PolarHBondContact O-N 2.96Š| ||
| 42 | N | 57.2 | Low | 65.9 | Low | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | trans | -70.7 | 122.1 | 170.3 | -73.8 | -5.8 | 0 | 0 | 0 | 110.7 | W40 P68 E70 Y88 | W40-N42 PolarHBondContact NE1-OD1 2.78Å; N42-P68 PolarHBondContact ND2-O 2.72Å; N42-E70 PolarHBondContact ND2-O 2.66Å; N42-E70 VanDerWaalsContact ND2-O 3.16Å; N42-Y88 PolarHBondContact OD1-OH 2.83Å | ||
| 43 | Q | 54.8 | Low | 67.4 | Low | 60 Ų | 60 | 57.7 Ų | 57.7 | 28% | 0.28 | 28% | 0.278 | S | S | . | . | trans | -75.7 | 165.3 | 159 | -50.9 | -154.1 | 26.6 | 0 | 0 | 108.4 | F20 Y23 T41 F45 | F20-Q43 WeakPolarHBondContact O-CB 3.5Å; F20-Q43 VanDerWaalsContact O-CD 3.27Å; F20-Q43 PolarHBondContact O-OE1 2.93Å; Y23-Q43 PolarHBondContact O-NE2 3.33Å; T41-Q43 PolarHBondContact O-N 2.96Å; Q43-F45 HydrophobicContact CB-CE2 3.97Å; Q43-F45 HydrophobicContact CB-CZ 4Å; Q43-F45 WeakPolarHBondContact O-CD2 3.41Å; Q43-F45 WeakPolarHBondContact O-CE2 3.06Å; Q43-F45 PolarHBondContact O-N 2.94Å | ||
| 44 | R | 53.4 | Low | 68.5 | Low | 248 Ų | 248 | 55 Ų | 55 | 94% | 0.936 | 26% | 0.264 | S | S | * | . | trans | -74.5 | 91.8 | 175.6 | -75.5 | -174.7 | 176.4 | -176.6 | -3 | 109.6 | ||||
| 45 | F | 54.7 | Low | 69.5 | Low | 32 Ų | 32 | 54.7 Ų | 54.7 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | trans | -79.5 | 166.1 | 170.5 | -60.8 | -78.7 | 0 | 0 | 0 | 111.2 | C21 I24 Q43 F51 V90 L97 | C21-F45 HydrophobicContact CB-CE1 4.49Å; I24-F45 HydrophobicContact CD1-CE2 3.82Å; I24-F45 HydrophobicContact CD1-CZ 3.67Å; I24-F45 HydrophobicContact CG1-CZ 4.23Å; Q43-F45 HydrophobicContact CB-CE2 3.97Å; Q43-F45 HydrophobicContact CB-CZ 4Å; Q43-F45 WeakPolarHBondContact O-CD2 3.41Å; Q43-F45 WeakPolarHBondContact O-CE2 3.06Å; Q43-F45 PolarHBondContact O-N 2.94Å; F45-F51 HydrophobicContact CB-CE1 4.47Å; F45-F51 HydrophobicContact CB-CZ 4.03Å; F45-F51 AromaticContact CD2-CE1 3.59Å; F45-F51 HydrophobicContact CD2-CE1 3.59Å; F45-F51 AromaticContact CD2-CZ 3.95Å; F45-F51 HydrophobicContact CD2-CZ 3.95Å; F45-F51 HydrophobicContact CE2-CE1 4.23Å; F45-F51 HydrophobicContact CG-CE1 4.27Å; F45-F51 HydrophobicContact CG-CZ 4.33Å; F45-V90 HydrophobicContact CD1-CG1 4.05Å; F45-V90 HydrophobicContact CD2-CG1 4.05Å; F45-V90 HydrophobicContact CE1-CG1 4.32Å; F45-V90 HydrophobicContact CE2-CG1 4.3Å; F45-V90 HydrophobicContact CE2-CG2 4.14Å; F45-V90 HydrophobicContact CG-CG1 3.93Å; F45-V90 HydrophobicContact CZ-CG1 4.46Å; F45-V90 HydrophobicContact CZ-CG2 4.34Å; F45-L97 HydrophobicContact CD1-CD1 4.33Å | ||
| 46 | Y | 52 | Low | 70.2 | Confident | 121 Ų | 121 | 54.8 Ų | 54.8 | 48% | 0.475 | 26% | 0.256 | S | S | . | . | trans | -74.9 | 159.7 | -178.6 | -66.5 | -78.9 | 0 | 0 | 0 | 111.3 | R48 S49 | Y46-R48 PolarHBondContact O-N 3.41Å; Y46-S49 PolarHBondContact O-N 3.04Å; Y46-S49 VanDerWaalsContact O-N 3.08Å; Y46-S49 PolarHBondContact O-OG 2.87Å | ||
| 47 | S | 54.2 | Low | 71 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 6.1 | -169.1 | 54.5 | 0 | 0 | 0 | 0 | 117.1 | N605 | S47-N605 PolarHBondContact OG-ND2 2.79Š|
| 48 | R | 64.5 | Low | 71.5 | Confident | 156 Ų | 156 | 60.3 Ų | 60.3 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | 11.1 | 176.5 | -63.5 | -168.8 | -177.1 | -166.8 | 0.6 | 113.5 | Y46 S50 D93 | Y46-R48 PolarHBondContact O-N 3.41Å; R48-S50 PolarHBondContact O-N 3.49Å; R48-D93 IonicContact NH1-OD2 3.91Å |
| 49 | S | 72 | Confident | 71.9 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | trans | -74 | 128.8 | 174.9 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | Y46 F51 Q91 L97 | Y46-S49 PolarHBondContact O-N 3.04Å; Y46-S49 VanDerWaalsContact O-N 3.08Å; Y46-S49 PolarHBondContact O-OG 2.87Å; S49-F51 WeakPolarHBondContact O-CD2 3.49Å; S49-F51 WeakPolarHBondContact O-CE2 3.05Å; S49-Q91 CarbonylContact C-O 3.6Å; S49-Q91 WeakPolarHBondContact CA-O 3.39Å; S49-L97 WeakPolarHBondContact OG-CD1 3.4Å | ||
| 50 | S | 78.5 | Confident | 72.5 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.3 | 168 | -68.1 | 0 | 0 | 0 | 0 | 109.5 | R48 V90 Q91 | R48-S50 PolarHBondContact O-N 3.49Å; S50-V90 WeakPolarHBondContact O-CA 3.39Å; S50-Q91 PolarHBondContact N-O 2.93Å; S50-Q91 PolarHBondContact O-N 3.29Å |
| 51 | F | 84.4 | Confident | 73.5 | Confident | 11 Ų | 11 | 76 Ų | 76 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.4 | -177.6 | -58.6 | -93.3 | 0 | 0 | 0 | 108.2 | F45 S49 L66 P68 Y88 V90 | F45-F51 HydrophobicContact CB-CE1 4.47Å; F45-F51 HydrophobicContact CB-CZ 4.03Å; F45-F51 AromaticContact CD2-CE1 3.59Å; F45-F51 HydrophobicContact CD2-CE1 3.59Å; F45-F51 AromaticContact CD2-CZ 3.95Å; F45-F51 HydrophobicContact CD2-CZ 3.95Å; F45-F51 HydrophobicContact CE2-CE1 4.23Å; F45-F51 HydrophobicContact CG-CE1 4.27Å; F45-F51 HydrophobicContact CG-CZ 4.33Å; S49-F51 WeakPolarHBondContact O-CD2 3.49Å; S49-F51 WeakPolarHBondContact O-CE2 3.05Å; F51-L66 HydrophobicContact CB-CB 4.15Å; F51-L66 PolarHBondContact O-N 3.42Å; F51-P68 HydrophobicContact CD2-CB 3.98Å; F51-P68 HydrophobicContact CD2-CG 3.8Å; F51-P68 HydrophobicContact CE2-CB 3.51Å; F51-P68 HydrophobicContact CE2-CG 3.59Å; F51-P68 HydrophobicContact CZ-CB 4.16Å; F51-Y88 WeakPolarHBondContact CD1-OH 3.48Å; F51-V90 HydrophobicContact CD1-CB 4.25Å; F51-V90 HydrophobicContact CD1-CG1 3.77Å; F51-V90 HydrophobicContact CD1-CG2 3.65Å; F51-V90 HydrophobicContact CE1-CB 4.37Å; F51-V90 HydrophobicContact CE1-CG1 3.55Å; F51-V90 HydrophobicContact CE1-CG2 3.9Å; F51-V90 HydrophobicContact CZ-CG1 4.14Å |
| 52 | Y | 86.8 | Confident | 74.8 | Confident | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 150.9 | -178.6 | 56.2 | -73.1 | 0 | 0 | 0 | 111.1 | T54 Y64 V89 Q91 | Y52-T54 HydrophobicContact CD2-CG2 4.42Å; Y52-Y64 CarbonylContact C-O 3.56Å; Y52-Y64 WeakPolarHBondContact CA-O 3.29Å; Y52-Y64 WeakPolarHBondContact CB-O 3.49Å; Y52-V89 HydrophobicContact CD1-CB 4.29Å; Y52-V89 WeakPolarHBondContact CD1-O 3.29Å; Y52-V89 HydrophobicContact CD2-CB 4.12Å; Y52-V89 HydrophobicContact CD2-CG2 4.29Å; Y52-V89 HydrophobicContact CE1-CB 3.76Å; Y52-V89 HydrophobicContact CE1-CG1 4.03Å; Y52-V89 HydrophobicContact CE2-CB 3.63Å; Y52-V89 HydrophobicContact CE2-CG1 4.22Å; Y52-V89 HydrophobicContact CE2-CG2 3.79Å; Y52-V89 HydrophobicContact CG-CB 4.45Å; Y52-V89 VanDerWaalsContact CZ-CB 3.43Å; Y52-V89 PolarHBondContact N-O 3.17Å; Y52-V89 PolarHBondContact O-N 2.97Å; Y52-V89 VanDerWaalsContact OH-CG1 3.28Å; Y52-V89 WeakPolarHBondContact OH-CG1 3.3Å; Y52-Q91 HydrophobicContact CE1-CB 4.07Å; Y52-Q91 VanDerWaalsContact CE1-CD 3.43Å; Y52-Q91 HydrophobicContact CE1-CG 3.64Å; Y52-Q91 PolarHBondContact OH-OE1 3.01Å; Y52-Q91 VanDerWaalsContact OH-OE1 3.14Å |
| 53 | L | 88.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.5 | 175.6 | -170.6 | 146.7 | 0 | 0 | 0 | 107.8 | L26 L38 W40 Y64 L66 L73 F86 D87 Y88 | L26-L53 HydrophobicContact CD1-CD1 3.9Å; L26-L53 HydrophobicContact CD2-CD1 4.46Å; L38-L53 HydrophobicContact CB-CD1 4.49Å; L38-L53 HydrophobicContact CD1-CD1 3.61Å; L38-L53 HydrophobicContact CD1-CD2 3.65Å; L38-L53 HydrophobicContact CD1-CG 4.29Å; W40-L53 HydrophobicContact CE3-CD1 4.26Å; W40-L53 HydrophobicContact CZ3-CD1 4.09Å; L53-Y64 HydrophobicContact CD2-CD2 3.95Å; L53-Y64 PolarHBondContact N-O 2.97Å; L53-Y64 WeakPolarHBondContact O-CD2 3.26Å; L53-Y64 PolarHBondContact O-N 2.81Å; L53-L66 HydrophobicContact CB-CD1 3.73Å; L53-L73 HydrophobicContact CD2-CD2 4.22Å; L53-F86 HydrophobicContact CD2-CB 4.49Å; L53-F86 HydrophobicContact CD2-CD1 3.9Å; L53-D87 CarbonylContact C-O 3.55Å; L53-D87 VanDerWaalsContact CA-O 3.27Å; L53-D87 WeakPolarHBondContact CA-O 3.31Å; L53-Y88 HydrophobicContact CB-CD2 4.22Å; L53-Y88 HydrophobicContact CD1-CD2 4.21Å |
| 54 | T | 87.3 | Confident | 77.8 | Confident | 8 Ų | 8 | 81.3 Ų | 81.3 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 145.6 | 168.1 | 80.2 | 0 | 0 | 0 | 0 | 109.2 | Y52 E61 S62 Y63 F86 D87 | Y52-T54 HydrophobicContact CD2-CG2 4.42Å; T54-E61 PolarHBondContact OG1-OE1 2.98Å; T54-S62 CarbonylContact C-O 3.55Å; T54-S62 VanDerWaalsContact CA-O 3.32Å; T54-S62 WeakPolarHBondContact CA-O 3.03Å; T54-Y63 HydrophobicContact CG2-CD1 3.59Å; T54-Y63 HydrophobicContact CG2-CE1 3.4Å; T54-Y63 VanDerWaalsContact CG2-CE1 3.4Å; T54-Y63 HydrophobicContact CG2-CG 4.29Å; T54-F86 VanDerWaalsContact O-CA 3.3Å; T54-F86 WeakPolarHBondContact O-CA 3.42Å; T54-D87 PolarHBondContact N-O 2.03Å; T54-D87 PolarHBondContact O-N 2.79Å |
| 55 | Q | 90.3 | Very high | 79.4 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.8 | 174.5 | 165.3 | -175.7 | -37.1 | 0 | 0 | 107.2 | I57 E61 S62 Y64 Y84 F86 | Q55-I57 HydrophobicContact CG-CG1 4.36Å; Q55-E61 CarbonylContact O-C 3.51Å; Q55-E61 VanDerWaalsContact O-CA 3.32Å; Q55-E61 WeakPolarHBondContact O-CA 3.29Å; Q55-S62 PolarHBondContact N-O 3.32Å; Q55-S62 PolarHBondContact O-N 2.99Å; Q55-Y64 HydrophobicContact CB-CE2 3.88Å; Q55-Y64 PolarHBondContact OE1-OH 2.91Å; Q55-Y64 VanDerWaalsContact OE1-OH 3.08Å; Q55-Y84 HydrophobicContact CG-CD1 4.15Å; Q55-F86 HydrophobicContact CB-CD1 3.8Å; Q55-F86 HydrophobicContact CB-CE1 3.83Å; Q55-F86 HydrophobicContact CG-CD1 4.04Å; Q55-F86 HydrophobicContact CG-CE1 3.63Å |
| 56 | K | 88.9 | Confident | 80.8 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 34% | 0.335 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.1 | 178.3 | -178.7 | 169.7 | 158 | -132.4 | 0 | 110.4 | D60 E61 E85 | K56-D60 WeakPolarHBondContact CA-O 3.41Å; K56-E61 HydrophobicContact CB-CG 4.5Å; K56-E85 HydrophobicContact CB-CB 4.24Å; K56-E85 PolarHBondContact N-O 3.2Å; K56-E85 IonicContact NZ-OE2 2.77Å; K56-E85 PolarHBondContact NZ-OE2 2.95Å; K56-E85 PolarHBondContact O-N 2.87Å |
| 57 | I | 86.4 | Confident | 82.1 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 114.1 | 174.7 | -50.8 | 175.5 | 0 | 0 | 0 | 106.4 | Q55 K59 D60 L82 Y84 | Q55-I57 HydrophobicContact CG-CG1 4.36Å; I57-K59 PolarHBondContact O-N 3.09Å; I57-D60 PolarHBondContact N-O 2.91Å; I57-D60 PolarHBondContact O-N 2.92Å; I57-L82 HydrophobicContact CG2-CB 4.16Å; I57-L82 HydrophobicContact CG2-CD1 3.84Å; I57-L82 HydrophobicContact CG2-CD2 3.88Å; I57-L82 HydrophobicContact CG2-CG 4.17Å; I57-Y84 HydrophobicContact CD1-CD1 3.97Å; I57-Y84 HydrophobicContact CD1-CE1 3.41Å; I57-Y84 VanDerWaalsContact CD1-CE1 3.41Å; I57-Y84 HydrophobicContact CG1-CD1 3.87Å; I57-Y84 HydrophobicContact CG1-CE1 3.86Å; I57-Y84 HydrophobicContact CG1-CG 4.39Å |
| 58 | N | 81.1 | Confident | 82.9 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 65% | 0.652 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -96.5 | -175.8 | -55.5 | -43.5 | 0 | 0 | 0 | 112.8 | ||
| 59 | K | 77.4 | Confident | 83.3 | Confident | 198 Ų | 198 | 72.5 Ų | 72.5 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -13.7 | 177.2 | -68.3 | -174.8 | 178.2 | -179.5 | 0 | 113.5 | I57 | I57-K59 PolarHBondContact O-N 3.09Š|
| 60 | D | 82.5 | Confident | 83.3 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.6 | -174.9 | -55.2 | -42.9 | 0 | 0 | 0 | 109.1 | K56 I57 | K56-D60 WeakPolarHBondContact CA-O 3.41Å; I57-D60 PolarHBondContact N-O 2.91Å; I57-D60 PolarHBondContact O-N 2.92Å |
| 61 | E | 87.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 77.9 Ų | 77.9 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.7 | 179.5 | -166.4 | 178 | -146.8 | 0 | 0 | 110.5 | T54 Q55 K56 Y63 | T54-E61 PolarHBondContact OG1-OE1 2.98Å; Q55-E61 CarbonylContact O-C 3.51Å; Q55-E61 VanDerWaalsContact O-CA 3.32Å; Q55-E61 WeakPolarHBondContact O-CA 3.29Å; K56-E61 HydrophobicContact CB-CG 4.5Å; E61-Y63 HydrophobicContact CB-CE2 4.26Å; E61-Y63 HydrophobicContact CG-CD2 4.29Å; E61-Y63 HydrophobicContact CG-CE2 3.62Å; E61-Y63 PolarHBondContact OE1-OH 2.83Å; E61-Y63 VanDerWaalsContact OE2-CE2 3.3Å; E61-Y63 WeakPolarHBondContact OE2-CE2 3.23Å; E61-Y63 VanDerWaalsContact OE2-CZ 3.3Å; E61-Y63 PolarHBondContact OE2-OH 3.09Å |
| 62 | S | 89.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.7 | 179.4 | -65.2 | 0 | 0 | 0 | 0 | 109.9 | T54 Q55 | T54-S62 CarbonylContact C-O 3.55Å; T54-S62 VanDerWaalsContact CA-O 3.32Å; T54-S62 WeakPolarHBondContact CA-O 3.03Å; Q55-S62 PolarHBondContact N-O 3.32Å; Q55-S62 PolarHBondContact O-N 2.99Å |
| 63 | Y | 87.1 | Confident | 82.4 | Confident | 154 Ų | 154 | 80.2 Ų | 80.2 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.5 | -172.3 | -74.2 | -105.8 | 0 | 0 | 0 | 110.6 | T54 E61 | T54-Y63 HydrophobicContact CG2-CD1 3.59Å; T54-Y63 HydrophobicContact CG2-CE1 3.4Å; T54-Y63 VanDerWaalsContact CG2-CE1 3.4Å; T54-Y63 HydrophobicContact CG2-CG 4.29Å; E61-Y63 HydrophobicContact CB-CE2 4.26Å; E61-Y63 HydrophobicContact CG-CD2 4.29Å; E61-Y63 HydrophobicContact CG-CE2 3.62Å; E61-Y63 PolarHBondContact OE1-OH 2.83Å; E61-Y63 VanDerWaalsContact OE2-CE2 3.3Å; E61-Y63 WeakPolarHBondContact OE2-CE2 3.23Å; E61-Y63 VanDerWaalsContact OE2-CZ 3.3Å; E61-Y63 PolarHBondContact OE2-OH 3.09Å |
| 64 | Y | 88.1 | Confident | 82.1 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 28% | 0.278 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.9 | 175.2 | -57.2 | -83.6 | 0 | 0 | 0 | 109.8 | Y52 L53 Q55 L73 V75 | Y52-Y64 CarbonylContact C-O 3.56Å; Y52-Y64 WeakPolarHBondContact CA-O 3.29Å; Y52-Y64 WeakPolarHBondContact CB-O 3.49Å; L53-Y64 HydrophobicContact CD2-CD2 3.95Å; L53-Y64 PolarHBondContact N-O 2.97Å; L53-Y64 WeakPolarHBondContact O-CD2 3.26Å; L53-Y64 PolarHBondContact O-N 2.81Å; Q55-Y64 HydrophobicContact CB-CE2 3.88Å; Q55-Y64 PolarHBondContact OE1-OH 2.91Å; Q55-Y64 VanDerWaalsContact OE1-OH 3.08Å; Y64-L73 HydrophobicContact CD1-CD2 4.03Å; Y64-L73 HydrophobicContact CD2-CD2 3.84Å; Y64-L73 HydrophobicContact CE1-CD2 4.44Å; Y64-L73 HydrophobicContact CE2-CD2 4.27Å; Y64-L73 HydrophobicContact CG-CD2 3.7Å; Y64-V75 HydrophobicContact CE2-CG2 4.44Å |
| 65 | L | 87.3 | Confident | 81.8 | Confident | 141 Ų | 141 | 82.9 Ų | 82.9 | 74% | 0.738 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.8 | 167.7 | -174.1 | 70.1 | 0 | 0 | 0 | 108.7 | ||
| 66 | L | 83.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.063 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.6 | -169.5 | -63.2 | 168 | 0 | 0 | 0 | 111.5 | W40 F51 L53 L73 Y88 | W40-L66 HydrophobicContact CH2-CD1 3.7Å; W40-L66 HydrophobicContact CH2-CD2 3.93Å; W40-L66 HydrophobicContact CH2-CG 4.42Å; W40-L66 HydrophobicContact CZ2-CD1 3.66Å; W40-L66 HydrophobicContact CZ2-CD2 4.22Å; W40-L66 HydrophobicContact CZ2-CG 4.39Å; W40-L66 HydrophobicContact CZ3-CD1 4.4Å; F51-L66 HydrophobicContact CB-CB 4.15Å; F51-L66 PolarHBondContact O-N 3.42Å; L53-L66 HydrophobicContact CB-CD1 3.73Å; L66-L73 HydrophobicContact CD2-CD1 4.41Å; L66-Y88 HydrophobicContact CD1-CD2 4.04Å; L66-Y88 HydrophobicContact CD1-CE2 3.61Å |
| 67 | D | 79.5 | Confident | 81.1 | Confident | 70 Ų | 70 | 85.5 Ų | 85.5 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | trans | -71.3 | 140.9 | 173.1 | -175.9 | -69.3 | 0 | 0 | 0 | 109.9 | K69 E70 | D67-K69 PolarHBondContact O-N 2.78Å; D67-K69 WeakPolarHBondContact OD1-CB 3.46Å; D67-K69 VanDerWaalsContact OD1-CG 3.32Å; D67-K69 WeakPolarHBondContact OD1-CG 3.49Å; D67-K69 PolarHBondContact OD1-N 2.76Å; D67-E70 HydrophobicContact CB-CG 4.01Å; D67-E70 PolarHBondContact N-OE2 3.06Å; D67-E70 WeakPolarHBondContact O-CB 3.4Å; D67-E70 PolarHBondContact O-N 2.8Å | ||
| 68 | P | 70.5 | Confident | 80.7 | Confident | 73 Ų | 73 | 87.4 Ų | 87.4 | 47% | 0.474 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -23.4 | 175.9 | -26.6 | 32.3 | 0 | 0 | 0 | 115.7 | N42 F51 | N42-P68 PolarHBondContact ND2-O 2.72Å; F51-P68 HydrophobicContact CD2-CB 3.98Å; F51-P68 HydrophobicContact CD2-CG 3.8Å; F51-P68 HydrophobicContact CE2-CB 3.51Å; F51-P68 HydrophobicContact CE2-CG 3.59Å; F51-P68 HydrophobicContact CZ-CB 4.16Å |
| 69 | K | 72.7 | Confident | 80.4 | Confident | 172 Ų | 172 | 88.2 Ų | 88.2 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14 | 177.8 | -58.5 | 166.8 | -172.3 | 158 | 0 | 113.4 | D67 H71 | D67-K69 PolarHBondContact O-N 2.78Å; D67-K69 WeakPolarHBondContact OD1-CB 3.46Å; D67-K69 VanDerWaalsContact OD1-CG 3.32Å; D67-K69 WeakPolarHBondContact OD1-CG 3.49Å; D67-K69 PolarHBondContact OD1-N 2.76Å; K69-H71 PolarHBondContact O-CE1 2.71Å |
| 70 | E | 71.2 | Confident | 80.5 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 40% | 0.402 | 43% | 0.432 | S | S | . | . | trans | -76.1 | 138.7 | 178.4 | -74.2 | 171.1 | 159.3 | 0 | 0 | 111.2 | W40 N42 D67 | W40-E70 HydrophobicContact CZ2-CB 4.12Å; W40-E70 PolarHBondContact NE1-O 3.27Å; N42-E70 PolarHBondContact ND2-O 2.66Å; N42-E70 VanDerWaalsContact ND2-O 3.16Å; D67-E70 HydrophobicContact CB-CG 4.01Å; D67-E70 PolarHBondContact N-OE2 3.06Å; D67-E70 WeakPolarHBondContact O-CB 3.4Å; D67-E70 PolarHBondContact O-N 2.8Å | ||
| 71 | H | 75.4 | Confident | 80.3 | Confident | 93 Ų | 93 | 81.6 Ų | 81.6 | 43% | 0.431 | 42% | 0.42 | S | S | . | . | trans | -130.3 | 5.7 | -179.2 | -58 | -20.7 | 0 | 0 | 0 | 111.7 | Q39 W40 K69 | Q39-H71 VanDerWaalsContact CA-O 3.29Å; Q39-H71 WeakPolarHBondContact CA-O 3.2Å; W40-H71 PolarHBondContact N-O 3.3Å; K69-H71 PolarHBondContact O-CE1 2.71Å | ||
| 72 | T | 77.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 140.6 | -174.5 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | L38 Q39 | L38-T72 CarbonylContact O-C 3.53Å; L38-T72 WeakPolarHBondContact O-CA 3.46Å; Q39-T72 HydrophobicContact CB-CG2 4.24Å; Q39-T72 HydrophobicContact CG-CG2 3.91Å |
| 73 | L | 78.9 | Confident | 79.9 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 17% | 0.173 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.3 | 170.3 | 178 | 67.3 | 0 | 0 | 0 | 108.8 | I37 L38 W40 L53 Y64 L66 V75 | I37-L73 WeakPolarHBondContact CA-O 3.45Å; L38-L73 HydrophobicContact CB-CB 4.45Å; L38-L73 PolarHBondContact N-O 3.26Å; L38-L73 PolarHBondContact O-N 3.03Å; W40-L73 HydrophobicContact CH2-CB 3.72Å; W40-L73 HydrophobicContact CZ3-CB 3.69Å; L53-L73 HydrophobicContact CD2-CD2 4.22Å; Y64-L73 HydrophobicContact CD1-CD2 4.03Å; Y64-L73 HydrophobicContact CD2-CD2 3.84Å; Y64-L73 HydrophobicContact CE1-CD2 4.44Å; Y64-L73 HydrophobicContact CE2-CD2 4.27Å; Y64-L73 HydrophobicContact CG-CD2 3.7Å; L66-L73 HydrophobicContact CD2-CD1 4.41Å; L73-V75 HydrophobicContact CD2-CG2 3.98Å; L73-V75 HydrophobicContact CG-CG2 4.17Å |
| 74 | T | 81.9 | Confident | 79.7 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.2 | 167.4 | -56 | 0 | 0 | 0 | 0 | 108.9 | E35 I36 I37 | E35-T74 HydrophobicContact CB-CG2 3.97Å; E35-T74 HydrophobicContact CG-CG2 4.19Å; I36-T74 WeakPolarHBondContact O-CA 3.31Å; I37-T74 HydrophobicContact CG1-CG2 4.17Å |
| 75 | V | 81.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.7 | 178.3 | 168.8 | 0 | 0 | 0 | 0 | 108.2 | E35 I36 L38 Y64 L73 Y84 F86 | E35-V75 WeakPolarHBondContact CA-O 3.19Å; I36-V75 HydrophobicContact CB-CB 4.45Å; I36-V75 PolarHBondContact N-O 3.06Å; I36-V75 PolarHBondContact O-N 3.32Å; L38-V75 HydrophobicContact CD1-CG2 4.07Å; Y64-V75 HydrophobicContact CE2-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 3.98Å; L73-V75 HydrophobicContact CG-CG2 4.17Å; V75-Y84 HydrophobicContact CG1-CE1 4.4Å; V75-F86 HydrophobicContact CG2-CE1 4.29Å |
| 76 | N | 83.3 | Confident | 79.6 | Confident | 123 Ų | 123 | 63.3 Ų | 63.3 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.3 | 172.6 | -64.8 | -1.3 | 0 | 0 | 0 | 110.1 | G34 | G34-N76 CarbonylContact O-C 3.45Å; G34-N76 WeakPolarHBondContact O-CA 3.35Å |
| 77 | T | 79.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | trans | -118.7 | 175.7 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | G34 I36 Y84 Y106 | G34-T77 WeakPolarHBondContact CA-OG1 3.47Å; G34-T77 PolarHBondContact O-N 2.81Å; G34-T77 PolarHBondContact O-OG1 3.06Å; I36-T77 HydrophobicContact CB-CG2 4.41Å; I36-T77 HydrophobicContact CD1-CG2 3.43Å; I36-T77 VanDerWaalsContact CD1-CG2 3.43Å; I36-T77 HydrophobicContact CG1-CG2 3.62Å; T77-Y84 WeakPolarHBondContact CA-OH 3.37Å; T77-Y84 VanDerWaalsContact CB-OH 3.3Å; T77-Y84 WeakPolarHBondContact CB-OH 3.33Å; T77-Y84 HydrophobicContact CG2-CE1 4.13Å; T77-Y84 HydrophobicContact CG2-CE2 4.17Å; T77-Y84 WeakPolarHBondContact CG2-OH 3.2Å; T77-Y106 HydrophobicContact CG2-CD2 3.86Å; T77-Y106 HydrophobicContact CG2-CE2 3.9Å; T77-Y106 HydrophobicContact CG2-CG 4.31Å; T77-Y106 WeakPolarHBondContact OG1-CE2 3.29Å; T77-Y106 PolarHBondContact OG1-OH 3.43Å | ||
| 78 | T | 79.6 | Confident | 79.9 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | trans | -109.1 | 168.4 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | Q80 L82 Y106 | T78-Q80 PolarHBondContact O-N 2.97Å; T78-L82 WeakPolarHBondContact OG1-CD1 3.46Å; T78-Y106 WeakPolarHBondContact O-CE1 3.14Å | ||
| 79 | D | 73.2 | Confident | 80.4 | Confident | 138 Ų | 138 | 58 Ų | 58 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -75.4 | 30.2 | 178.5 | -53.4 | -39.9 | 0 | 0 | 0 | 113.5 | ||
| 80 | Q | 80.5 | Confident | 80.6 | Confident | 123 Ų | 123 | 49.8 Ų | 49.8 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -120.3 | 147.1 | -174 | -63.9 | -172.8 | -2.8 | 0 | 0 | 112.7 | T78 L82 | T78-Q80 PolarHBondContact O-N 2.97Å; Q80-L82 HydrophobicContact CB-CD1 4.17Å; Q80-L82 HydrophobicContact CB-CD2 4.49Å; Q80-L82 HydrophobicContact CB-CG 3.95Å; Q80-L82 PolarHBondContact O-N 2.87Å |
| 81 | C | 79 | Confident | 80.9 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | trans | -70 | 65.7 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | C135 | C81-C135 HydrophobicContact CB-CB 3.9Å; C81-C135 WeakPolarHBondContact CB-SG 3.47Å; C81-C135 WeakPolarHBondContact SG-CA 3.3Å; C81-C135 WeakPolarHBondContact SG-CB 3.16Å; C81-C135 PolarHBondContact SG-N 2.78Å; C81-C135 VanDerWaalsContact SG-N 3.43Å; C81-C135 CovalentContact SG-SG 2.03Å; C81-C135 PolarHBondContact SG-SG 3.21Å | ||
| 82 | L | 83.1 | Confident | 81 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | trans | -91.5 | 158.1 | -173.2 | -64.6 | 170.6 | 0 | 0 | 0 | 112.9 | I57 T78 Q80 Y84 Y106 K137 | I57-L82 HydrophobicContact CG2-CB 4.16Å; I57-L82 HydrophobicContact CG2-CD1 3.84Å; I57-L82 HydrophobicContact CG2-CD2 3.88Å; I57-L82 HydrophobicContact CG2-CG 4.17Å; T78-L82 WeakPolarHBondContact OG1-CD1 3.46Å; Q80-L82 HydrophobicContact CB-CD1 4.17Å; Q80-L82 HydrophobicContact CB-CD2 4.49Å; Q80-L82 HydrophobicContact CB-CG 3.95Å; Q80-L82 PolarHBondContact O-N 2.87Å; L82-Y84 HydrophobicContact CB-CD2 4.21Å; L82-Y84 HydrophobicContact CB-CE2 3.77Å; L82-Y84 HydrophobicContact CD1-CE2 4.44Å; L82-Y106 PolarHBondContact O-N 3.33Å; L82-K137 PolarHBondContact O-NZ 2.96Å | ||
| 83 | T | 84.1 | Confident | 80.6 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.7 | 164.8 | -61.6 | 0 | 0 | 0 | 0 | 107.3 | I103 L104 D105 K137 | T83-I103 HydrophobicContact CG2-CG2 3.54Å; T83-L104 WeakPolarHBondContact CA-O 3.43Å; T83-D105 PolarHBondContact OG1-OD1 3.26Å; T83-K137 PolarHBondContact OG1-NZ 2.92Å |
| 84 | Y | 83.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.5 | 175.7 | -70.8 | -109.7 | 0 | 0 | 0 | 108.7 | I36 Q55 I57 V75 T77 L82 F86 I103 L104 Y106 | I36-Y84 HydrophobicContact CD1-CD1 3.9Å; I36-Y84 HydrophobicContact CD1-CD2 3.8Å; I36-Y84 HydrophobicContact CD1-CE1 4.06Å; I36-Y84 HydrophobicContact CD1-CE2 3.98Å; I36-Y84 HydrophobicContact CD1-CG 3.79Å; Q55-Y84 HydrophobicContact CG-CD1 4.15Å; I57-Y84 HydrophobicContact CD1-CD1 3.97Å; I57-Y84 HydrophobicContact CD1-CE1 3.41Å; I57-Y84 VanDerWaalsContact CD1-CE1 3.41Å; I57-Y84 HydrophobicContact CG1-CD1 3.87Å; I57-Y84 HydrophobicContact CG1-CE1 3.86Å; I57-Y84 HydrophobicContact CG1-CG 4.39Å; V75-Y84 HydrophobicContact CG1-CE1 4.4Å; T77-Y84 WeakPolarHBondContact CA-OH 3.37Å; T77-Y84 VanDerWaalsContact CB-OH 3.3Å; T77-Y84 WeakPolarHBondContact CB-OH 3.33Å; T77-Y84 HydrophobicContact CG2-CE1 4.13Å; T77-Y84 HydrophobicContact CG2-CE2 4.17Å; T77-Y84 WeakPolarHBondContact CG2-OH 3.2Å; L82-Y84 HydrophobicContact CB-CD2 4.21Å; L82-Y84 HydrophobicContact CB-CE2 3.77Å; L82-Y84 HydrophobicContact CD1-CE2 4.44Å; Y84-F86 HydrophobicContact CD1-CE1 4.09Å; Y84-F86 HydrophobicContact CD1-CE2 4.31Å; Y84-F86 AromaticContact CD1-CZ 3.57Å; Y84-F86 HydrophobicContact CD1-CZ 3.57Å; Y84-F86 HydrophobicContact CG-CE2 4.18Å; Y84-F86 AromaticContact CG-CZ 3.9Å; Y84-F86 HydrophobicContact CG-CZ 3.9Å; Y84-I103 CarbonylContact O-C 3.52Å; Y84-I103 WeakPolarHBondContact O-CA 3.5Å; Y84-L104 PolarHBondContact N-O 3.47Å; Y84-L104 PolarHBondContact O-N 3.28Å; Y84-Y106 HydrophobicContact CE2-CD1 4.48Å; Y84-Y106 HydrophobicContact CE2-CG 4.07Å |
| 85 | E | 86.6 | Confident | 79 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.1 | 170.2 | 174.8 | 175.4 | -149.7 | 0 | 0 | 107.5 | K56 Q101 I103 | K56-E85 HydrophobicContact CB-CB 4.24Å; K56-E85 PolarHBondContact N-O 3.2Å; K56-E85 IonicContact NZ-OE2 2.77Å; K56-E85 PolarHBondContact NZ-OE2 2.95Å; K56-E85 PolarHBondContact O-N 2.87Å; E85-Q101 PolarHBondContact OE1-NE2 2.79Å; E85-I103 HydrophobicContact CG-CG1 4.38Å |
| 86 | F | 86.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125 | -178.2 | -59.3 | -77 | 0 | 0 | 0 | 110.5 | L26 I36 L38 L53 T54 Q55 V75 Y84 Q101 Y102 L104 | L26-F86 HydrophobicContact CD2-CB 3.85Å; L26-F86 WeakPolarHBondContact CD2-O 3.12Å; I36-F86 HydrophobicContact CD1-CE2 4.37Å; I36-F86 HydrophobicContact CD1-CZ 4.04Å; I36-F86 HydrophobicContact CG2-CE2 4.28Å; I36-F86 HydrophobicContact CG2-CZ 4.23Å; L38-F86 HydrophobicContact CD1-CB 4.46Å; L38-F86 HydrophobicContact CD1-CD1 3.54Å; L38-F86 HydrophobicContact CD1-CD2 4.35Å; L38-F86 HydrophobicContact CD1-CE1 3.64Å; L38-F86 HydrophobicContact CD1-CE2 4.44Å; L38-F86 HydrophobicContact CD1-CG 3.89Å; L38-F86 HydrophobicContact CD1-CZ 4.09Å; L38-F86 HydrophobicContact CD2-CD1 4.4Å; L38-F86 HydrophobicContact CD2-CD2 3.73Å; L38-F86 HydrophobicContact CD2-CE1 4.36Å; L38-F86 HydrophobicContact CD2-CE2 3.69Å; L38-F86 HydrophobicContact CD2-CG 4.07Å; L38-F86 HydrophobicContact CD2-CZ 4Å; L38-F86 HydrophobicContact CG-CE1 4.47Å; L38-F86 HydrophobicContact CG-CZ 4.45Å; L53-F86 HydrophobicContact CD2-CB 4.49Å; L53-F86 HydrophobicContact CD2-CD1 3.9Å; T54-F86 VanDerWaalsContact O-CA 3.3Å; T54-F86 WeakPolarHBondContact O-CA 3.42Å; Q55-F86 HydrophobicContact CB-CD1 3.8Å; Q55-F86 HydrophobicContact CB-CE1 3.83Å; Q55-F86 HydrophobicContact CG-CD1 4.04Å; Q55-F86 HydrophobicContact CG-CE1 3.63Å; V75-F86 HydrophobicContact CG2-CE1 4.29Å; Y84-F86 HydrophobicContact CD1-CE1 4.09Å; Y84-F86 HydrophobicContact CD1-CE2 4.31Å; Y84-F86 AromaticContact CD1-CZ 3.57Å; Y84-F86 HydrophobicContact CD1-CZ 3.57Å; Y84-F86 HydrophobicContact CG-CE2 4.18Å; Y84-F86 AromaticContact CG-CZ 3.9Å; Y84-F86 HydrophobicContact CG-CZ 3.9Å; F86-Q101 CarbonylContact O-C 3.59Å; F86-Q101 WeakPolarHBondContact O-CA 3.34Å; F86-Y102 HydrophobicContact CD2-CD1 4.27Å; F86-Y102 PolarHBondContact N-O 2.87Å; F86-Y102 PolarHBondContact O-N 2.83Å; F86-L104 HydrophobicContact CE2-CB 4.35Å |
| 87 | D | 84.9 | Confident | 77.5 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.1 | 173.1 | -71.1 | -40 | 0 | 0 | 0 | 109.9 | L53 T54 V89 Y99 Q101 | L53-D87 CarbonylContact C-O 3.55Å; L53-D87 VanDerWaalsContact CA-O 3.27Å; L53-D87 WeakPolarHBondContact CA-O 3.31Å; T54-D87 PolarHBondContact N-O 2.03Å; T54-D87 PolarHBondContact O-N 2.79Å; D87-V89 HydrophobicContact CB-CG2 4.43Å; D87-Y99 HydrophobicContact CB-CE2 3.82Å; D87-Y99 WeakPolarHBondContact OD1-CE2 3.2Å; D87-Y99 VanDerWaalsContact OD1-CZ 3.24Å; D87-Y99 PolarHBondContact OD1-OH 2.91Å; D87-Q101 WeakPolarHBondContact OD1-CB 3.28Å; D87-Q101 VanDerWaalsContact OD1-CG 3.29Å; D87-Q101 WeakPolarHBondContact OD1-CG 3.32Å |
| 88 | Y | 83.3 | Confident | 77 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.3 | 170.6 | -178.4 | -106.2 | 0 | 0 | 0 | 110.4 | I24 W40 N42 F51 L53 L66 V90 Y99 S100 | I24-Y88 HydrophobicContact CD1-CD1 4.14Å; I24-Y88 HydrophobicContact CD1-CE1 3.71Å; I24-Y88 HydrophobicContact CG2-CD1 3.8Å; I24-Y88 HydrophobicContact CG2-CE1 3.94Å; W40-Y88 HydrophobicContact CB-CD1 4.45Å; W40-Y88 HydrophobicContact CB-CE1 4.48Å; W40-Y88 AromaticContact CD1-CE1 3.76Å; W40-Y88 AromaticContact CD1-CE2 3.91Å; W40-Y88 AromaticContact CD1-CZ 3.42Å; W40-Y88 VanDerWaalsContact CD1-CZ 3.42Å; W40-Y88 HydrophobicContact CD2-CD2 4.27Å; W40-Y88 HydrophobicContact CD2-CE2 4.01Å; W40-Y88 AromaticContact CE2-CE2 3.84Å; W40-Y88 HydrophobicContact CG-CD1 4.41Å; W40-Y88 HydrophobicContact CG-CD2 4.37Å; W40-Y88 HydrophobicContact CG-CE1 4.12Å; W40-Y88 HydrophobicContact CG-CE2 4.1Å; W40-Y88 AromaticContact CG-CZ 3.94Å; W40-Y88 HydrophobicContact CZ2-CE2 4.42Å; W40-Y88 AromaticContact NE1-CE2 3.75Å; W40-Y88 AromaticContact NE1-CZ 3.53Å; W40-Y88 PolarHBondContact NE1-OH 3.02Å; N42-Y88 PolarHBondContact OD1-OH 2.83Å; F51-Y88 WeakPolarHBondContact CD1-OH 3.48Å; L53-Y88 HydrophobicContact CB-CD2 4.22Å; L53-Y88 HydrophobicContact CD1-CD2 4.21Å; L66-Y88 HydrophobicContact CD1-CD2 4.04Å; L66-Y88 HydrophobicContact CD1-CE2 3.61Å; Y88-V90 HydrophobicContact CD1-CG2 4.46Å; Y88-V90 HydrophobicContact CE1-CG2 3.69Å; Y88-Y99 CarbonylContact O-C 3.59Å; Y88-Y99 WeakPolarHBondContact O-CA 3.37Å; Y88-S100 PolarHBondContact N-O 2.9Å; Y88-S100 PolarHBondContact O-N 3Å |
| 89 | V | 81.8 | Confident | 76.9 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138 | -174.5 | -158.3 | 0 | 0 | 0 | 0 | 110.7 | Y52 D87 A96 S98 Y99 | Y52-V89 HydrophobicContact CD1-CB 4.29Å; Y52-V89 WeakPolarHBondContact CD1-O 3.29Å; Y52-V89 HydrophobicContact CD2-CB 4.12Å; Y52-V89 HydrophobicContact CD2-CG2 4.29Å; Y52-V89 HydrophobicContact CE1-CB 3.76Å; Y52-V89 HydrophobicContact CE1-CG1 4.03Å; Y52-V89 HydrophobicContact CE2-CB 3.63Å; Y52-V89 HydrophobicContact CE2-CG1 4.22Å; Y52-V89 HydrophobicContact CE2-CG2 3.79Å; Y52-V89 HydrophobicContact CG-CB 4.45Å; Y52-V89 VanDerWaalsContact CZ-CB 3.43Å; Y52-V89 PolarHBondContact N-O 3.17Å; Y52-V89 PolarHBondContact O-N 2.97Å; Y52-V89 VanDerWaalsContact OH-CG1 3.28Å; Y52-V89 WeakPolarHBondContact OH-CG1 3.3Å; D87-V89 HydrophobicContact CB-CG2 4.43Å; V89-A96 HydrophobicContact CG1-CB 4.31Å; V89-S98 WeakPolarHBondContact CA-O 3.22Å; V89-S98 WeakPolarHBondContact CG1-O 3.29Å; V89-Y99 HydrophobicContact CG2-CD2 3.91Å; V89-Y99 HydrophobicContact CG2-CE2 4.43Å |
| 90 | V | 77.1 | Confident | 77 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.8 | 171.2 | -171.8 | 0 | 0 | 0 | 0 | 106.8 | I24 F45 S50 F51 Y88 A96 L97 S98 | I24-V90 HydrophobicContact CD1-CG2 3.54Å; F45-V90 HydrophobicContact CD1-CG1 4.05Å; F45-V90 HydrophobicContact CD2-CG1 4.05Å; F45-V90 HydrophobicContact CE1-CG1 4.32Å; F45-V90 HydrophobicContact CE2-CG1 4.3Å; F45-V90 HydrophobicContact CE2-CG2 4.14Å; F45-V90 HydrophobicContact CG-CG1 3.93Å; F45-V90 HydrophobicContact CZ-CG1 4.46Å; F45-V90 HydrophobicContact CZ-CG2 4.34Å; S50-V90 WeakPolarHBondContact O-CA 3.39Å; F51-V90 HydrophobicContact CD1-CB 4.25Å; F51-V90 HydrophobicContact CD1-CG1 3.77Å; F51-V90 HydrophobicContact CD1-CG2 3.65Å; F51-V90 HydrophobicContact CE1-CB 4.37Å; F51-V90 HydrophobicContact CE1-CG1 3.55Å; F51-V90 HydrophobicContact CE1-CG2 3.9Å; F51-V90 HydrophobicContact CZ-CG1 4.14Å; Y88-V90 HydrophobicContact CD1-CG2 4.46Å; Y88-V90 HydrophobicContact CE1-CG2 3.69Å; V90-A96 CarbonylContact O-C 3.48Å; V90-L97 HydrophobicContact CG1-CB 4.46Å; V90-L97 HydrophobicContact CG1-CD1 4.43Å; V90-L97 WeakPolarHBondContact O-CA 3.4Å; V90-L97 WeakPolarHBondContact O-CB 3.37Å; V90-L97 PolarHBondContact O-N 2.85Å; V90-S98 PolarHBondContact N-O 2.77Å; V90-S98 PolarHBondContact O-N 2.63Å; V90-S98 VanDerWaalsContact O-N 3.09Å |
| 91 | Q | 77.7 | Confident | 77 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 155.5 | 176.6 | 77.4 | -170.9 | -21.2 | 0 | 0 | 111.1 | S49 S50 Y52 H95 | S49-Q91 CarbonylContact C-O 3.6Å; S49-Q91 WeakPolarHBondContact CA-O 3.39Å; S50-Q91 PolarHBondContact N-O 2.93Å; S50-Q91 PolarHBondContact O-N 3.29Å; Y52-Q91 HydrophobicContact CE1-CB 4.07Å; Y52-Q91 VanDerWaalsContact CE1-CD 3.43Å; Y52-Q91 HydrophobicContact CE1-CG 3.64Å; Y52-Q91 PolarHBondContact OH-OE1 3.01Å; Y52-Q91 VanDerWaalsContact OH-OE1 3.14Å; Q91-H95 WeakPolarHBondContact CA-O 3.37Å |
| 92 | D | 76.5 | Confident | 76.9 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -103.3 | -173.5 | 160 | 65.3 | 24.5 | 0 | 0 | 0 | 110.8 | Y94 H95 L97 | D92-Y94 PolarHBondContact O-N 2.83Å; D92-Y94 WeakPolarHBondContact OD1-CA 3.45Å; D92-Y94 PolarHBondContact OD1-N 2.9Å; D92-H95 PolarHBondContact N-O 2.86Å; D92-H95 PolarHBondContact OD1-N 3.31Å; D92-L97 HydrophobicContact CB-CD1 4.08Å; D92-L97 HydrophobicContact CB-CG 4.45Å | ||
| 93 | D | 70.7 | Confident | 76.7 | Confident | 103 Ų | 103 | 54.1 Ų | 54.1 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -56.3 | -10.6 | 178.8 | -58.3 | -35.1 | 0 | 0 | 0 | 114 | R48 | R48-D93 IonicContact NH1-OD2 3.91Š|
| 94 | Y | 59.3 | Low | 76.2 | Confident | 184 Ų | 184 | 51.9 Ų | 51.9 | 72% | 0.722 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -128 | -35.9 | -171.7 | -56.5 | -75.6 | 0 | 0 | 0 | 114.5 | D92 | D92-Y94 PolarHBondContact O-N 2.83Å; D92-Y94 WeakPolarHBondContact OD1-CA 3.45Å; D92-Y94 PolarHBondContact OD1-N 2.9Å |
| 95 | H | 67.4 | Low | 75.9 | Confident | 136 Ų | 136 | 53.5 Ų | 53.5 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -149.4 | 152.7 | -173.8 | -54.5 | 86.2 | 0 | 0 | 0 | 113.7 | Q91 D92 L97 | Q91-H95 WeakPolarHBondContact CA-O 3.37Å; D92-H95 PolarHBondContact N-O 2.86Å; D92-H95 PolarHBondContact OD1-N 3.31Å; H95-L97 PolarHBondContact O-N 2.95Å |
| 96 | A | 66.9 | Low | 75.4 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 117.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V89 V90 | V89-A96 HydrophobicContact CG1-CB 4.31Å; V90-A96 CarbonylContact O-C 3.48Å |
| 97 | L | 65.9 | Low | 74.7 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -34.8 | -179.7 | -62.9 | 176 | 0 | 0 | 0 | 112.4 | C21 F45 S49 V90 D92 H95 | C21-L97 WeakPolarHBondContact CB-O 3.4Å; F45-L97 HydrophobicContact CD1-CD1 4.33Å; S49-L97 WeakPolarHBondContact OG-CD1 3.4Å; V90-L97 HydrophobicContact CG1-CB 4.46Å; V90-L97 HydrophobicContact CG1-CD1 4.43Å; V90-L97 WeakPolarHBondContact O-CA 3.4Å; V90-L97 WeakPolarHBondContact O-CB 3.37Å; V90-L97 PolarHBondContact O-N 2.85Å; D92-L97 HydrophobicContact CB-CD1 4.08Å; D92-L97 HydrophobicContact CB-CG 4.45Å; H95-L97 PolarHBondContact O-N 2.95Å |
| 98 | S | 69.6 | Low | 74 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 151.6 | 178.3 | -142.1 | 0 | 0 | 0 | 0 | 111.3 | C21 V89 V90 | C21-S98 PolarHBondContact O-OG 3.06Å; V89-S98 WeakPolarHBondContact CA-O 3.22Å; V89-S98 WeakPolarHBondContact CG1-O 3.29Å; V90-S98 PolarHBondContact N-O 2.77Å; V90-S98 PolarHBondContact O-N 2.63Å; V90-S98 VanDerWaalsContact O-N 3.09Å |
| 99 | Y | 76.1 | Confident | 73.2 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 48% | 0.478 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142 | -176 | 171.4 | -94.7 | 0 | 0 | 0 | 109.1 | D87 Y88 V89 Q101 | D87-Y99 HydrophobicContact CB-CE2 3.82Å; D87-Y99 WeakPolarHBondContact OD1-CE2 3.2Å; D87-Y99 VanDerWaalsContact OD1-CZ 3.24Å; D87-Y99 PolarHBondContact OD1-OH 2.91Å; Y88-Y99 CarbonylContact O-C 3.59Å; Y88-Y99 WeakPolarHBondContact O-CA 3.37Å; V89-Y99 HydrophobicContact CG2-CD2 3.91Å; V89-Y99 HydrophobicContact CG2-CE2 4.43Å; Y99-Q101 HydrophobicContact CE1-CB 4.08Å |
| 100 | S | 77.1 | Confident | 72.1 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 125.7 | 176.9 | -157 | 0 | 0 | 0 | 0 | 110 | I24 L26 Y88 | I24-S100 WeakPolarHBondContact O-CB 3.27Å; I24-S100 PolarHBondContact O-OG 3.4Å; L26-S100 PolarHBondContact N-OG 2.88Å; Y88-S100 PolarHBondContact N-O 2.9Å; Y88-S100 PolarHBondContact O-N 3Å |
| 101 | Q | 79.6 | Confident | 71.1 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.5 | -178.6 | -174.5 | -179.6 | 36.6 | 0 | 0 | 110.3 | E85 F86 D87 Y99 | E85-Q101 PolarHBondContact OE1-NE2 2.79Å; F86-Q101 CarbonylContact O-C 3.59Å; F86-Q101 WeakPolarHBondContact O-CA 3.34Å; D87-Q101 WeakPolarHBondContact OD1-CB 3.28Å; D87-Q101 VanDerWaalsContact OD1-CG 3.29Å; D87-Q101 WeakPolarHBondContact OD1-CG 3.32Å; Y99-Q101 HydrophobicContact CE1-CB 4.08Å |
| 102 | Y | 77.1 | Confident | 70 | Confident | 45 Ų | 45 | 58 Ų | 58 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.6 | 174.8 | -174.8 | -105 | 0 | 0 | 0 | 110.9 | G28 F86 L104 | G28-Y102 VanDerWaalsContact N-CD1 3.32Å; G28-Y102 PolarHBondContact O-OH 3.01Å; G28-Y102 VanDerWaalsContact O-OH 3.08Å; F86-Y102 HydrophobicContact CD2-CD1 4.27Å; F86-Y102 PolarHBondContact N-O 2.87Å; F86-Y102 PolarHBondContact O-N 2.83Å; Y102-L104 HydrophobicContact CD1-CB 4.38Å; Y102-L104 HydrophobicContact CE1-CB 3.79Å; Y102-L104 HydrophobicContact CE1-CD1 4.25Å; Y102-L104 HydrophobicContact CE1-CD2 4.47Å; Y102-L104 HydrophobicContact CE1-CG 4.39Å |
| 103 | I | 78.3 | Confident | 68.9 | Low | 60 Ų | 60 | 59.1 Ų | 59.1 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.9 | 179.8 | -56.5 | 174.9 | 0 | 0 | 0 | 109.3 | T83 Y84 E85 | T83-I103 HydrophobicContact CG2-CG2 3.54Å; Y84-I103 CarbonylContact O-C 3.52Å; Y84-I103 WeakPolarHBondContact O-CA 3.5Å; E85-I103 HydrophobicContact CG-CG1 4.38Å |
| 104 | L | 74.2 | Confident | 67.9 | Low | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.5 | 179.6 | -172.7 | 59.1 | 0 | 0 | 0 | 110.7 | I36 T83 Y84 F86 Y102 Y106 L157 | I36-L104 HydrophobicContact CB-CD2 4.32Å; I36-L104 HydrophobicContact CD1-CD2 3.86Å; I36-L104 HydrophobicContact CG1-CD2 3.75Å; I36-L104 HydrophobicContact CG2-CD2 3.6Å; T83-L104 WeakPolarHBondContact CA-O 3.43Å; Y84-L104 PolarHBondContact N-O 3.47Å; Y84-L104 PolarHBondContact O-N 3.28Å; F86-L104 HydrophobicContact CE2-CB 4.35Å; Y102-L104 HydrophobicContact CD1-CB 4.38Å; Y102-L104 HydrophobicContact CE1-CB 3.79Å; Y102-L104 HydrophobicContact CE1-CD1 4.25Å; Y102-L104 HydrophobicContact CE1-CD2 4.47Å; Y102-L104 HydrophobicContact CE1-CG 4.39Å; L104-Y106 PolarHBondContact O-N 3.23Å; L104-L157 HydrophobicContact CD1-CD2 3.81Å |
| 105 | D | 77.2 | Confident | 67.2 | Low | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 108.6 | 164.3 | -69.1 | -52.8 | 0 | 0 | 0 | 108.2 | T83 K137 R159 | T83-D105 PolarHBondContact OG1-OD1 3.26Å; D105-K137 HydrophobicContact CB-CD 3.83Å; D105-K137 IonicContact OD1-NZ 3.59Å; D105-K137 PolarHBondContact OD1-NZ 2.96Å; D105-R159 IonicContact OD1-NH2 3.6Å; D105-R159 IonicContact OD2-CZ 3.62Å; D105-R159 VanDerWaalsContact OD2-CZ 3.22Å; D105-R159 IonicContact OD2-NE 2.76Å; D105-R159 PolarHBondContact OD2-NE 3.34Å; D105-R159 VanDerWaalsContact OD2-NE 3.14Å; D105-R159 IonicContact OD2-NH2 2.72Å; D105-R159 PolarHBondContact OD2-NH2 3Å |
| 106 | Y | 75.4 | Confident | 66.2 | Low | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -81.8 | 140.3 | 175.7 | 178.1 | -93.9 | 0 | 0 | 0 | 110.1 | Q30 G34 I36 T77 T78 L82 Y84 L104 P108 | Q30-Y106 HydrophobicContact CB-CD2 4.48Å; Q30-Y106 HydrophobicContact CG-CD2 4.03Å; Q30-Y106 HydrophobicContact CG-CE2 3.74Å; G34-Y106 PolarHBondContact N-OH 3.34Å; I36-Y106 HydrophobicContact CD1-CD2 4.09Å; I36-Y106 HydrophobicContact CG1-CD2 3.95Å; T77-Y106 HydrophobicContact CG2-CD2 3.86Å; T77-Y106 HydrophobicContact CG2-CE2 3.9Å; T77-Y106 HydrophobicContact CG2-CG 4.31Å; T77-Y106 WeakPolarHBondContact OG1-CE2 3.29Å; T77-Y106 PolarHBondContact OG1-OH 3.43Å; T78-Y106 WeakPolarHBondContact O-CE1 3.14Å; L82-Y106 PolarHBondContact O-N 3.33Å; Y84-Y106 HydrophobicContact CE2-CD1 4.48Å; Y84-Y106 HydrophobicContact CE2-CG 4.07Å; L104-Y106 PolarHBondContact O-N 3.23Å; Y106-P108 HydrophobicContact CE1-CB 3.96Å | ||
| 107 | I | 71.9 | Confident | 64.9 | Low | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | trans | -131.5 | 106 | -176.1 | -67 | 175.7 | 0 | 0 | 0 | 107.2 | Q30 M110 N133 C135 L139 | Q30-I107 PolarHBondContact NE2-O 3.35Å; Q30-I107 PolarHBondContact OE1-O 3.1Å; I107-M110 HydrophobicContact CB-CB 4.49Å; I107-M110 HydrophobicContact CG2-CB 4.19Å; I107-M110 WeakPolarHBondContact O-CB 3.34Å; I107-N133 WeakPolarHBondContact CG2-ND2 3.45Å; I107-C135 HydrophobicContact CG1-CB 4.46Å; I107-L139 HydrophobicContact CD1-CD1 3.5Å; I107-L139 HydrophobicContact CD1-CD2 4.05Å; I107-L139 HydrophobicContact CD1-CG 3.53Å | ||
| 108 | P | 70.1 | Confident | 63.5 | Low | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 153.5 | 175.7 | 29.8 | -36.8 | 0 | 0 | 0 | 110.5 | Y106 M110 N133 | Y106-P108 HydrophobicContact CE1-CB 3.96Å; P108-M110 PolarHBondContact O-N 3.18Å; P108-N133 PolarHBondContact O-ND2 3.08Å |
| 109 | Q | 66.3 | Low | 62.1 | Low | 102 Ų | 102 | 67.8 Ų | 67.8 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 30.9 | 178.8 | -57.4 | -179.9 | -53.3 | 0 | 0 | 113.3 | D33 F111 E112 | D33-Q109 VanDerWaalsContact CG-CA 3.5Å; D33-Q109 VanDerWaalsContact OD1-CA 3.25Å; D33-Q109 WeakPolarHBondContact OD1-CA 3.2Å; D33-Q109 PolarHBondContact OD1-N 3.14Å; Q109-F111 PolarHBondContact O-N 3.32Å; Q109-E112 HydrophobicContact CB-CG 3.91Å; Q109-E112 VanDerWaalsContact CD-OE1 3.31Å; Q109-E112 HydrophobicContact CG-CG 4.39Å; Q109-E112 VanDerWaalsContact CG-OE1 3.32Å; Q109-E112 WeakPolarHBondContact CG-OE1 3.14Å; Q109-E112 PolarHBondContact NE2-OE1 2.92Å; Q109-E112 PolarHBondContact O-N 2.9Å |
| 110 | M | 58.9 | Low | 60.3 | Low | 13 Ų | 13 | 63.8 Ų | 63.8 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.1 | -179 | -178.8 | 178.6 | 173.7 | 0 | 0 | 112 | D33 I107 P108 L139 I142 M154 L157 | D33-M110 PolarHBondContact OD1-N 3.37Å; I107-M110 HydrophobicContact CB-CB 4.49Å; I107-M110 HydrophobicContact CG2-CB 4.19Å; I107-M110 WeakPolarHBondContact O-CB 3.34Å; P108-M110 PolarHBondContact O-N 3.18Å; M110-L139 HydrophobicContact CE-CD1 4.1Å; M110-L139 HydrophobicContact CE-CD2 3.94Å; M110-L139 HydrophobicContact CG-CD1 4.41Å; M110-L139 HydrophobicContact SD-CD1 4.49Å; M110-I142 HydrophobicContact CE-CD1 3.37Å; M110-I142 HydrophobicContact CE-CG1 3.69Å; M110-M154 HydrophobicContact CE-CE 3.72Å; M110-M154 HydrophobicContact SD-CE 4.3Å; M110-L157 HydrophobicContact CE-CD1 3.59Å; M110-L157 HydrophobicContact SD-CD1 4.48Å |
| 111 | F | 57.4 | Low | 58.3 | Low | 49 Ų | 49 | 69.3 Ų | 69.3 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.2 | -177.4 | -56.8 | -84.3 | 0 | 0 | 0 | 113.7 | Q30 I31 D33 Q109 I114 F144 M154 | Q30-F111 HydrophobicContact CG-CE2 4.24Å; I31-F111 WeakPolarHBondContact O-CZ 3.33Å; D33-F111 PolarHBondContact OD2-N 2.76Å; Q109-F111 PolarHBondContact O-N 3.32Å; F111-I114 HydrophobicContact CB-CD1 4.12Å; F111-I114 HydrophobicContact CD1-CD1 4Å; F111-I114 WeakPolarHBondContact O-CG1 3.24Å; F111-F144 HydrophobicContact CD1-CE1 4.48Å; F111-F144 HydrophobicContact CE1-CE1 4.3Å; F111-M154 HydrophobicContact CE1-CE 3.38Å; F111-M154 HydrophobicContact CZ-CE 3.37Å |
| 112 | E | 53.3 | Low | 56.3 | Low | 81 Ų | 81 | 66.8 Ų | 66.8 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 146.1 | 175 | -67.9 | -167.4 | -176 | 0 | 0 | 111.7 | Q109 I114 | Q109-E112 HydrophobicContact CB-CG 3.91Å; Q109-E112 VanDerWaalsContact CD-OE1 3.31Å; Q109-E112 HydrophobicContact CG-CG 4.39Å; Q109-E112 VanDerWaalsContact CG-OE1 3.32Å; Q109-E112 WeakPolarHBondContact CG-OE1 3.14Å; Q109-E112 PolarHBondContact NE2-OE1 2.92Å; Q109-E112 PolarHBondContact O-N 2.9Å; E112-I114 PolarHBondContact O-N 2.82Å |
| 113 | N | 53.9 | Low | 54.2 | Low | 74 Ų | 74 | 65.5 Ų | 65.5 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.3 | 177.1 | -60.6 | -68.9 | 0 | 0 | 0 | 116.1 | R115 | N113-R115 PolarHBondContact O-N 2.79Š|
| 114 | I | 50.8 | Low | 52.2 | Low | 43 Ų | 43 | 65 Ų | 65 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 105.8 | 164.7 | -63.6 | 172.7 | 0 | 0 | 0 | 108.9 | F111 E112 L126 W128 F144 | F111-I114 HydrophobicContact CB-CD1 4.12Å; F111-I114 HydrophobicContact CD1-CD1 4Å; F111-I114 WeakPolarHBondContact O-CG1 3.24Å; E112-I114 PolarHBondContact O-N 2.82Å; I114-L126 HydrophobicContact CG2-CD2 3.6Å; I114-W128 HydrophobicContact CG1-CB 4.32Å; I114-F144 HydrophobicContact CD1-CE1 4.36Å; I114-F144 HydrophobicContact CD1-CZ 3.87Å |
| 115 | R | 44.8 | Very low | 50.7 | Low | 170 Ų | 170 | 67.3 Ų | 67.3 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.5 | 170.4 | -59.4 | -177.4 | -173.2 | -172.7 | 2.1 | 108.2 | N113 K127 | N113-R115 PolarHBondContact O-N 2.79Å; R115-K127 PolarHBondContact N-O 3.45Å; R115-K127 PolarHBondContact O-N 2.93Å |
| 116 | Y | 44.7 | Very low | 49 | Very low | 163 Ų | 163 | 68 Ų | 68 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 146 | 172.3 | 70.9 | -89.1 | 0 | 0 | 0 | 110.6 | V118 T124 E125 | Y116-V118 HydrophobicContact CD2-CG2 4.48Å; Y116-V118 HydrophobicContact CE2-CG2 4.49Å; Y116-T124 HydrophobicContact CD2-CG2 3.87Å; Y116-T124 HydrophobicContact CG-CG2 4.27Å; Y116-E125 CarbonylContact C-O 3.57Å; Y116-E125 VanDerWaalsContact CA-O 3.26Å; Y116-E125 WeakPolarHBondContact CA-O 3.12Å |
| 117 | R | 41.2 | Very low | 47.5 | Very low | 168 Ų | 168 | 74.3 Ų | 74.3 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.1 | 173.6 | -175.4 | -176.9 | -174.8 | -170.3 | 3 | 108.2 | V119 T124 E125 | R117-V119 HydrophobicContact CG-CG2 4.29Å; R117-V119 PolarHBondContact O-N 2.94Å; R117-V119 VanDerWaalsContact O-N 3.15Å; R117-T124 CarbonylContact O-C 3.48Å; R117-T124 WeakPolarHBondContact O-CA 3.34Å; R117-E125 HydrophobicContact CB-CB 4.42Å; R117-E125 PolarHBondContact N-O 3.41Å; R117-E125 PolarHBondContact O-N 2.85Å |
| 118 | V | 36.7 | Very low | 46.6 | Very low | 92 Ų | 92 | 78.1 Ų | 78.1 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 107.8 | 168.2 | -176.4 | 0 | 0 | 0 | 0 | 107.1 | Y116 S120 T124 | Y116-V118 HydrophobicContact CD2-CG2 4.48Å; Y116-V118 HydrophobicContact CE2-CG2 4.49Å; V118-S120 WeakPolarHBondContact CG1-O 3.45Å; V118-T124 HydrophobicContact CG2-CG2 4.46Å |
| 119 | V | 39.8 | Very low | 45.5 | Very low | 82 Ų | 82 | 81.6 Ų | 81.6 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -29.1 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | R117 S123 E125 | R117-V119 HydrophobicContact CG-CG2 4.29Å; R117-V119 PolarHBondContact O-N 2.94Å; R117-V119 VanDerWaalsContact O-N 3.15Å; V119-S123 PolarHBondContact N-O 2.8Å; V119-E125 HydrophobicContact CG2-CB 3.6Å |
| 120 | S | 37.4 | Very low | 44.7 | Very low | 38 Ų | 38 | 79.6 Ų | 79.6 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 169.2 | 172.1 | 82.3 | 0 | 0 | 0 | 0 | 109.9 | V118 T122 S123 | V118-S120 WeakPolarHBondContact CG1-O 3.45Å; S120-T122 PolarHBondContact O-N 3.02Å; S120-T122 PolarHBondContact OG-N 2.93Å; S120-S123 WeakPolarHBondContact CB-OG 3.15Å; S120-S123 PolarHBondContact N-O 2.9Å; S120-S123 VanDerWaalsContact N-O 3.14Å; S120-S123 PolarHBondContact N-OG 3.15Å; S120-S123 PolarHBondContact O-N 3.4Å; S120-S123 VanDerWaalsContact O-N 3.12Å; S120-S123 PolarHBondContact OG-N 2.94Å; S120-S123 PolarHBondContact OG-OG 3.17Å |
| 121 | P | 34.5 | Very low | 44 | Very low | 130 Ų | 130 | 87.3 Ų | 87.3 | 84% | 0.844 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -17.5 | 175.6 | -26.4 | 36 | 0 | 0 | 0 | 115.3 | ||
| 122 | T | 37.6 | Very low | 43.6 | Very low | 40 Ų | 40 | 90.3 Ų | 90.3 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 4.8 | 179.9 | 58.6 | 0 | 0 | 0 | 0 | 114 | S120 S178 A179 | S120-T122 PolarHBondContact O-N 3.02Å; S120-T122 PolarHBondContact OG-N 2.93Å; T122-S178 WeakPolarHBondContact O-CA 3.49Å; T122-A179 PolarHBondContact O-N 2.96Å |
| 123 | S | 35 | Very low | 43.5 | Very low | 17 Ų | 17 | 87.7 Ų | 87.7 | 12% | 0.119 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 116.7 | -177.2 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | V119 S120 | V119-S123 PolarHBondContact N-O 2.8Å; S120-S123 WeakPolarHBondContact CB-OG 3.15Å; S120-S123 PolarHBondContact N-O 2.9Å; S120-S123 VanDerWaalsContact N-O 3.14Å; S120-S123 PolarHBondContact N-OG 3.15Å; S120-S123 PolarHBondContact O-N 3.4Å; S120-S123 VanDerWaalsContact O-N 3.12Å; S120-S123 PolarHBondContact OG-N 2.94Å; S120-S123 PolarHBondContact OG-OG 3.17Å |
| 124 | T | 35.9 | Very low | 43.8 | Very low | 49 Ų | 49 | 91.8 Ų | 91.8 | 30% | 0.301 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.2 | 168.5 | -56.5 | 0 | 0 | 0 | 0 | 109 | Y116 R117 V118 | Y116-T124 HydrophobicContact CD2-CG2 3.87Å; Y116-T124 HydrophobicContact CG-CG2 4.27Å; R117-T124 CarbonylContact O-C 3.48Å; R117-T124 WeakPolarHBondContact O-CA 3.34Å; V118-T124 HydrophobicContact CG2-CG2 4.46Å |
| 125 | E | 41.6 | Very low | 44.2 | Very low | 53 Ų | 53 | 90.2 Ų | 90.2 | 25% | 0.248 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134.3 | 169.2 | -176 | -160.1 | 147.3 | 0 | 0 | 108.4 | Y116 R117 V119 | Y116-E125 CarbonylContact C-O 3.57Å; Y116-E125 VanDerWaalsContact CA-O 3.26Å; Y116-E125 WeakPolarHBondContact CA-O 3.12Å; R117-E125 HydrophobicContact CB-CB 4.42Å; R117-E125 PolarHBondContact N-O 3.41Å; R117-E125 PolarHBondContact O-N 2.85Å; V119-E125 HydrophobicContact CG2-CB 3.6Å |
| 126 | L | 41.2 | Very low | 44.8 | Very low | 51 Ų | 51 | 90.4 Ų | 90.4 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.5 | 176.4 | -78.1 | 148.8 | 0 | 0 | 0 | 108.3 | I114 F144 L152 | I114-L126 HydrophobicContact CG2-CD2 3.6Å; L126-F144 HydrophobicContact CD1-CB 3.77Å; L126-F144 HydrophobicContact CD1-CD2 4.18Å; L126-F144 HydrophobicContact CD1-CG 4.22Å; L126-L152 HydrophobicContact CD1-CD2 3.63Å; L126-L152 HydrophobicContact CD2-CD1 3.96Å; L126-L152 HydrophobicContact CD2-CD2 4.05Å; L126-L152 HydrophobicContact CG-CD2 4.49Å |
| 127 | K | 44 | Very low | 44.9 | Very low | 131 Ų | 131 | 85.3 Ų | 85.3 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 107.4 | -177.2 | -173 | 171.2 | -173.1 | 166.8 | 0 | 109 | R115 | R115-K127 PolarHBondContact N-O 3.45Å; R115-K127 PolarHBondContact O-N 2.93Å |
| 128 | W | 52.6 | Low | 44.8 | Very low | 85 Ų | 85 | 84 Ų | 84 | 32% | 0.322 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.6 | 171 | 84.2 | 84.1 | 0 | 0 | 0 | 109.1 | I114 M130 I142 | I114-W128 HydrophobicContact CG1-CB 4.32Å; W128-M130 PolarHBondContact NE1-SD 2.84Å; W128-M130 VanDerWaalsContact NE1-SD 3.38Å; W128-I142 HydrophobicContact CD2-CD1 4.21Å; W128-I142 HydrophobicContact CE3-CD1 4.2Å; W128-I142 HydrophobicContact CH2-CB 4.39Å; W128-I142 HydrophobicContact CH2-CD1 4.01Å; W128-I142 HydrophobicContact CH2-CG1 4.22Å; W128-I142 HydrophobicContact CZ2-CD1 3.99Å; W128-I142 HydrophobicContact CZ3-CB 4.12Å; W128-I142 HydrophobicContact CZ3-CD1 4.1Å; W128-I142 HydrophobicContact CZ3-CG1 4.37Å |
| 129 | D | 48.1 | Very low | 45 | Very low | 83 Ų | 83 | 81.4 Ų | 81.4 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | trans | -111.2 | 94.2 | 172.2 | -159.9 | -17.4 | 0 | 0 | 0 | 108.8 | K131 | D129-K131 PolarHBondContact O-N 3.45Å; D129-K131 VanDerWaalsContact O-N 3.11Å; D129-K131 WeakPolarHBondContact OD1-CD 2.97Å; D129-K131 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 130 | M | 48.9 | Very low | 44.7 | Very low | 59 Ų | 59 | 81.3 Ų | 81.3 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -74.7 | 3.4 | -169 | -127.5 | -177.5 | 91 | 0 | 0 | 114.6 | W128 N132 N133 L139 | W128-M130 PolarHBondContact NE1-SD 2.84Å; W128-M130 VanDerWaalsContact NE1-SD 3.38Å; M130-N132 PolarHBondContact O-N 2.93Å; M130-N133 PolarHBondContact O-N 2.84Å; M130-L139 HydrophobicContact CE-CB 4.47Å; M130-L139 HydrophobicContact CE-CD1 3.88Å; M130-L139 HydrophobicContact SD-CB 4.07Å; M130-L139 HydrophobicContact SD-CD1 3.48Å; M130-L139 WeakPolarHBondContact SD-CD1 3.41Å; M130-L139 HydrophobicContact SD-CG 4.34Å |
| 131 | K | 45.1 | Very low | 44.5 | Very low | 175 Ų | 175 | 83.5 Ų | 83.5 | 76% | 0.761 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -59.2 | -21 | -169.7 | -82.4 | 178.9 | 175.6 | -179.3 | 0 | 115.8 | D129 N133 | D129-K131 PolarHBondContact O-N 3.45Å; D129-K131 VanDerWaalsContact O-N 3.11Å; D129-K131 WeakPolarHBondContact OD1-CD 2.97Å; D129-K131 WeakPolarHBondContact OD1-CG 3.43Å; K131-N133 VanDerWaalsContact C-N 3.3Å |
| 132 | N | 48 | Very low | 44.5 | Very low | 112 Ų | 112 | 78 Ų | 78 | 60% | 0.599 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -82.8 | -6.2 | 179.7 | -72.2 | 9.7 | 0 | 0 | 0 | 113.4 | M130 N134 | M130-N132 PolarHBondContact O-N 2.93Å; N132-N134 PolarHBondContact O-N 3.18Å |
| 133 | N | 52.2 | Low | 44.5 | Very low | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.144 | 41% | 0.405 | C | S | . | . | trans | -90.4 | 110.7 | -174.1 | -147.4 | -55.7 | 0 | 0 | 0 | 112.3 | I107 P108 M130 K131 C135 | I107-N133 WeakPolarHBondContact CG2-ND2 3.45Å; P108-N133 PolarHBondContact O-ND2 3.08Å; M130-N133 PolarHBondContact O-N 2.84Å; K131-N133 VanDerWaalsContact C-N 3.3Å; N133-C135 PolarHBondContact O-N 3.18Å; N133-C135 VanDerWaalsContact O-N 3.17Å; N133-C135 WeakPolarHBondContact OD1-CB 3.35Å; N133-C135 PolarHBondContact OD1-N 3.18Å; N133-C135 VanDerWaalsContact OD1-N 3.17Å; N133-C135 PolarHBondContact OD1-SG 3.42Å | ||
| 134 | N | 59.3 | Low | 44.6 | Very low | 160 Ų | 160 | 79.3 Ų | 79.3 | 86% | 0.856 | 41% | 0.406 | S | S | * | . | trans | -69.9 | -4.3 | 177.6 | -73.8 | -30.8 | 0 | 0 | 0 | 113.7 | N132 N136 | N132-N134 PolarHBondContact O-N 3.18Å; N134-N136 PolarHBondContact O-N 2.79Å; N134-N136 VanDerWaalsContact O-N 3.12Å | ||
| 135 | C | 59.9 | Low | 44.6 | Very low | 9 Ų | 9 | 83.7 Ų | 83.7 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | trans | -68.1 | 108.8 | 171.8 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | C81 I107 N133 K137 | C81-C135 HydrophobicContact CB-CB 3.9Å; C81-C135 WeakPolarHBondContact CB-SG 3.47Å; C81-C135 WeakPolarHBondContact SG-CA 3.3Å; C81-C135 WeakPolarHBondContact SG-CB 3.16Å; C81-C135 PolarHBondContact SG-N 2.78Å; C81-C135 VanDerWaalsContact SG-N 3.43Å; C81-C135 CovalentContact SG-SG 2.03Å; C81-C135 PolarHBondContact SG-SG 3.21Å; I107-C135 HydrophobicContact CG1-CB 4.46Å; N133-C135 PolarHBondContact O-N 3.18Å; N133-C135 VanDerWaalsContact O-N 3.17Å; N133-C135 WeakPolarHBondContact OD1-CB 3.35Å; N133-C135 PolarHBondContact OD1-N 3.18Å; N133-C135 VanDerWaalsContact OD1-N 3.17Å; N133-C135 PolarHBondContact OD1-SG 3.42Å; C135-K137 PolarHBondContact O-N 2.59Å | ||
| 136 | N | 56.9 | Low | 44.2 | Very low | 175 Ų | 175 | 84.9 Ų | 84.9 | 94% | 0.936 | 43% | 0.425 | S | S | * | . | trans | -73.5 | 40.8 | 178.4 | -137.8 | 1.6 | 0 | 0 | 0 | 112.7 | N134 | N134-N136 PolarHBondContact O-N 2.79Å; N134-N136 VanDerWaalsContact O-N 3.12Å | ||
| 137 | K | 48.1 | Very low | 43.7 | Very low | 56 Ų | 56 | 89 Ų | 89 | 24% | 0.243 | 44% | 0.436 | C | S | . | . | trans | -118.2 | 124.1 | -174.5 | -62.7 | -173.4 | -178.5 | -179.8 | 0 | 109.7 | L82 T83 D105 C135 L139 | L82-K137 PolarHBondContact O-NZ 2.96Å; T83-K137 PolarHBondContact OG1-NZ 2.92Å; D105-K137 HydrophobicContact CB-CD 3.83Å; D105-K137 IonicContact OD1-NZ 3.59Å; D105-K137 PolarHBondContact OD1-NZ 2.96Å; C135-K137 PolarHBondContact O-N 2.59Å; K137-L139 PolarHBondContact O-N 3.24Å | ||
| 138 | T | 39 | Very low | 43 | Very low | 141 Ų | 141 | 90 Ų | 90 | 87% | 0.865 | 44% | 0.441 | S | S | * | . | trans | -68.7 | 115.4 | 173.2 | 37.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 139 | L | 40 | Very low | 42 | Very low | 37 Ų | 37 | 91 Ų | 91 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | trans | -78.2 | 129.1 | 169.3 | -98.4 | 164 | 0 | 0 | 0 | 111.1 | I107 M110 M130 K137 I142 L157 | I107-L139 HydrophobicContact CD1-CD1 3.5Å; I107-L139 HydrophobicContact CD1-CD2 4.05Å; I107-L139 HydrophobicContact CD1-CG 3.53Å; M110-L139 HydrophobicContact CE-CD1 4.1Å; M110-L139 HydrophobicContact CE-CD2 3.94Å; M110-L139 HydrophobicContact CG-CD1 4.41Å; M110-L139 HydrophobicContact SD-CD1 4.49Å; M130-L139 HydrophobicContact CE-CB 4.47Å; M130-L139 HydrophobicContact CE-CD1 3.88Å; M130-L139 HydrophobicContact SD-CB 4.07Å; M130-L139 HydrophobicContact SD-CD1 3.48Å; M130-L139 WeakPolarHBondContact SD-CD1 3.41Å; M130-L139 HydrophobicContact SD-CG 4.34Å; K137-L139 PolarHBondContact O-N 3.24Å; L139-I142 HydrophobicContact CD1-CD1 4.48Å; L139-L157 HydrophobicContact CD2-CD1 3.69Å; L139-L157 HydrophobicContact CD2-CG 4.47Å | ||
| 140 | N | 32.9 | Very low | 41.1 | Very low | 79 Ų | 79 | 89.4 Ų | 89.4 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | trans | -80.1 | 155.4 | 167.9 | -70.2 | -27.8 | 0 | 0 | 0 | 110.4 | I142 E158 | N140-I142 PolarHBondContact O-N 2.61Å; N140-E158 VanDerWaalsContact CB-O 3.31Å; N140-E158 WeakPolarHBondContact CB-O 3.48Å; N140-E158 PolarHBondContact ND2-O 2.82Å | ||
| 141 | T | 33.4 | Very low | 40.3 | Very low | 84 Ų | 84 | 91.7 Ų | 91.7 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | trans | -42.2 | 118.1 | -170.4 | -50.2 | 0 | 0 | 0 | 0 | 114.9 | I143 | T141-I143 HydrophobicContact CG2-CG1 4.4Š| ||
| 142 | I | 35.2 | Very low | 39.7 | Very low | 15 Ų | 15 | 87 Ų | 87 | 8% | 0.077 | 46% | 0.456 | C | S | . | . | trans | -86.9 | 123.5 | 175.5 | -52.3 | 156.8 | 0 | 0 | 0 | 108.8 | M110 W128 L139 N140 F144 M154 | M110-I142 HydrophobicContact CE-CD1 3.37Å; M110-I142 HydrophobicContact CE-CG1 3.69Å; W128-I142 HydrophobicContact CD2-CD1 4.21Å; W128-I142 HydrophobicContact CE3-CD1 4.2Å; W128-I142 HydrophobicContact CH2-CB 4.39Å; W128-I142 HydrophobicContact CH2-CD1 4.01Å; W128-I142 HydrophobicContact CH2-CG1 4.22Å; W128-I142 HydrophobicContact CZ2-CD1 3.99Å; W128-I142 HydrophobicContact CZ3-CB 4.12Å; W128-I142 HydrophobicContact CZ3-CD1 4.1Å; W128-I142 HydrophobicContact CZ3-CG1 4.37Å; L139-I142 HydrophobicContact CD1-CD1 4.48Å; N140-I142 PolarHBondContact O-N 2.61Å; I142-F144 HydrophobicContact CB-CE2 4.17Å; I142-F144 HydrophobicContact CG2-CD2 4.12Å; I142-F144 HydrophobicContact CG2-CE1 4.26Å; I142-F144 HydrophobicContact CG2-CE2 3.48Å; I142-F144 VanDerWaalsContact CG2-CE2 3.48Å; I142-F144 HydrophobicContact CG2-CZ 3.56Å; I142-M154 HydrophobicContact CG2-CE 4.01Å; I142-M154 HydrophobicContact CG2-CG 3.68Å; I142-M154 HydrophobicContact CG2-SD 3.9Å | ||
| 143 | I | 37.2 | Very low | 39 | Very low | 54 Ų | 54 | 84 Ų | 84 | 28% | 0.277 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.2 | 177.8 | -61.5 | 177.6 | 0 | 0 | 0 | 109.7 | T141 L155 L177 | T141-I143 HydrophobicContact CG2-CG1 4.4Å; I143-L155 HydrophobicContact CG2-CB 4.47Å; I143-L155 PolarHBondContact O-N 3.17Å; I143-L177 HydrophobicContact CG2-CD1 3.47Å; I143-L177 VanDerWaalsContact CG2-CD1 3.47Å |
| 144 | F | 36.7 | Very low | 38.3 | Very low | 30 Ų | 30 | 83.7 Ų | 83.7 | 13% | 0.132 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 149.9 | 173.9 | -62.6 | -86.1 | 0 | 0 | 0 | 111.9 | F111 I114 L126 I142 L152 E153 M154 | F111-F144 HydrophobicContact CD1-CE1 4.48Å; F111-F144 HydrophobicContact CE1-CE1 4.3Å; I114-F144 HydrophobicContact CD1-CE1 4.36Å; I114-F144 HydrophobicContact CD1-CZ 3.87Å; L126-F144 HydrophobicContact CD1-CB 3.77Å; L126-F144 HydrophobicContact CD1-CD2 4.18Å; L126-F144 HydrophobicContact CD1-CG 4.22Å; I142-F144 HydrophobicContact CB-CE2 4.17Å; I142-F144 HydrophobicContact CG2-CD2 4.12Å; I142-F144 HydrophobicContact CG2-CE1 4.26Å; I142-F144 HydrophobicContact CG2-CE2 3.48Å; I142-F144 VanDerWaalsContact CG2-CE2 3.48Å; I142-F144 HydrophobicContact CG2-CZ 3.56Å; F144-L152 HydrophobicContact CB-CD2 3.91Å; F144-L152 HydrophobicContact CD1-CD2 4.47Å; F144-L152 HydrophobicContact CG-CD2 4.36Å; F144-E153 CarbonylContact C-O 3.56Å; F144-E153 WeakPolarHBondContact CA-O 3.48Å; F144-M154 HydrophobicContact CD1-CB 4.2Å; F144-M154 HydrophobicContact CD1-CG 4.5Å; F144-M154 HydrophobicContact CE1-CB 4.15Å; F144-M154 HydrophobicContact CE1-CG 4.32Å |
| 145 | R | 37.1 | Very low | 37.2 | Very low | 141 Ų | 141 | 79.6 Ų | 79.6 | 53% | 0.532 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.1 | 165 | 164 | -177.6 | -74.8 | 170.4 | -2.5 | 108.8 | E153 L155 | R145-E153 PolarHBondContact N-O 3.06Å; R145-E153 PolarHBondContact O-N 3.03Å; R145-L155 HydrophobicContact CB-CD1 3.64Å; R145-L155 HydrophobicContact CB-CD2 4.37Å; R145-L155 HydrophobicContact CB-CG 3.91Å |
| 146 | L | 32.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 82 Ų | 82 | 41% | 0.408 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.6 | 165 | -157.8 | 71.8 | 0 | 0 | 0 | 109 | G150 L152 | L146-G150 WeakPolarHBondContact CD1-O 3.03Å; L146-L152 HydrophobicContact CD1-CD2 3.89Å; L146-L152 HydrophobicContact CD1-CG 3.9Å |
| 147 | R | 29.6 | Very low | 34.7 | Very low | 137 Ų | 137 | 75.9 Ų | 75.9 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | trans | -80 | 159.8 | 172.4 | -71.5 | -172.4 | 169.9 | -168.4 | 3.3 | 110.4 | T149 G150 N151 E153 | R147-T149 PolarHBondContact O-N 2.78Å; R147-G150 PolarHBondContact O-N 3.43Å; R147-N151 PolarHBondContact N-O 3.46Å; R147-E153 HydrophobicContact CG-CB 4.46Å; R147-E153 IonicContact CZ-OE1 3.91Å; R147-E153 IonicContact CZ-OE2 3.55Å; R147-E153 IonicContact NE-OE1 3.76Å; R147-E153 IonicContact NE-OE2 3.55Å; R147-E153 PolarHBondContact NE-OE2 3.43Å; R147-E153 IonicContact NH2-OE1 2.91Å; R147-E153 PolarHBondContact NH2-OE1 3.5Å; R147-E153 IonicContact NH2-OE2 3.14Å; R147-E153 PolarHBondContact NH2-OE2 3.3Å | ||
| 148 | K | 30.3 | Very low | 33.8 | Very low | 152 Ų | 152 | 77.5 Ų | 77.5 | 66% | 0.661 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -12.1 | 175.7 | -70.6 | -171.7 | 174.5 | -172.2 | 0 | 114.7 | P182 | K148-P182 HydrophobicContact CD-CG 4.26Š|
| 149 | T | 31.1 | Very low | 33.2 | Very low | 107 Ų | 107 | 77.2 Ų | 77.2 | 66% | 0.656 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 2.9 | 177.6 | 59 | 0 | 0 | 0 | 0 | 113.6 | R147 N151 | R147-T149 PolarHBondContact O-N 2.78Å; T149-N151 VanDerWaalsContact C-N 3.35Å |
| 150 | G | 29.8 | Very low | 32.4 | Very low | 49 Ų | 49 | 79.3 Ų | 79.3 | 51% | 0.505 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 89 | -13.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L146 R147 | L146-G150 WeakPolarHBondContact CD1-O 3.03Å; R147-G150 PolarHBondContact O-N 3.43Å |
| 151 | N | 31.4 | Very low | 31.9 | Very low | 108 Ų | 108 | 80.4 Ų | 80.4 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | trans | -77.5 | 137 | -178.4 | -64 | -3.8 | 0 | 0 | 0 | 112 | R147 T149 | R147-N151 PolarHBondContact N-O 3.46Å; T149-N151 VanDerWaalsContact C-N 3.35Å | ||
| 152 | L | 31.8 | Very low | 31.3 | Very low | 77 Ų | 77 | 81.3 Ų | 81.3 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135.5 | 171.7 | -77.8 | 158.7 | 0 | 0 | 0 | 111 | L126 F144 L146 | L126-L152 HydrophobicContact CD1-CD2 3.63Å; L126-L152 HydrophobicContact CD2-CD1 3.96Å; L126-L152 HydrophobicContact CD2-CD2 4.05Å; L126-L152 HydrophobicContact CG-CD2 4.49Å; F144-L152 HydrophobicContact CB-CD2 3.91Å; F144-L152 HydrophobicContact CD1-CD2 4.47Å; F144-L152 HydrophobicContact CG-CD2 4.36Å; L146-L152 HydrophobicContact CD1-CD2 3.89Å; L146-L152 HydrophobicContact CD1-CG 3.9Å |
| 153 | E | 34.2 | Very low | 30.6 | Very low | 49 Ų | 49 | 87.3 Ų | 87.3 | 23% | 0.229 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.4 | 174.9 | 175.1 | 175.3 | -147.7 | 0 | 0 | 109.5 | F144 R145 R147 L155 | F144-E153 CarbonylContact C-O 3.56Å; F144-E153 WeakPolarHBondContact CA-O 3.48Å; R145-E153 PolarHBondContact N-O 3.06Å; R145-E153 PolarHBondContact O-N 3.03Å; R147-E153 HydrophobicContact CG-CB 4.46Å; R147-E153 IonicContact CZ-OE1 3.91Å; R147-E153 IonicContact CZ-OE2 3.55Å; R147-E153 IonicContact NE-OE1 3.76Å; R147-E153 IonicContact NE-OE2 3.55Å; R147-E153 PolarHBondContact NE-OE2 3.43Å; R147-E153 IonicContact NH2-OE1 2.91Å; R147-E153 PolarHBondContact NH2-OE1 3.5Å; R147-E153 IonicContact NH2-OE2 3.14Å; R147-E153 PolarHBondContact NH2-OE2 3.3Å; E153-L155 HydrophobicContact CG-CD2 4.47Å |
| 154 | M | 38.2 | Very low | 29.8 | Very low | 20 Ų | 20 | 97 Ų | 97 | 10% | 0.099 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.2 | 172.8 | -163.8 | -156.8 | -65.1 | 0 | 0 | 110.4 | M110 F111 I142 F144 L157 | M110-M154 HydrophobicContact CE-CE 3.72Å; M110-M154 HydrophobicContact SD-CE 4.3Å; F111-M154 HydrophobicContact CE1-CE 3.38Å; F111-M154 HydrophobicContact CZ-CE 3.37Å; I142-M154 HydrophobicContact CG2-CE 4.01Å; I142-M154 HydrophobicContact CG2-CG 3.68Å; I142-M154 HydrophobicContact CG2-SD 3.9Å; F144-M154 HydrophobicContact CD1-CB 4.2Å; F144-M154 HydrophobicContact CD1-CG 4.5Å; F144-M154 HydrophobicContact CE1-CB 4.15Å; F144-M154 HydrophobicContact CE1-CG 4.32Å; M154-L157 HydrophobicContact SD-CD1 4.47Å |
| 155 | L | 34.7 | Very low | 29.1 | Very low | 74 Ų | 74 | 103.4 Ų | 103.4 | 39% | 0.387 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -26.1 | -175.4 | -72.5 | -177.1 | 0 | 0 | 0 | 115.1 | I143 R145 E153 | I143-L155 HydrophobicContact CG2-CB 4.47Å; I143-L155 PolarHBondContact O-N 3.17Å; R145-L155 HydrophobicContact CB-CD1 3.64Å; R145-L155 HydrophobicContact CB-CD2 4.37Å; R145-L155 HydrophobicContact CB-CG 3.91Å; E153-L155 HydrophobicContact CG-CD2 4.47Å |
| 156 | L | 33.7 | Very low | 28.3 | Very low | 60 Ų | 60 | 101.7 Ų | 101.7 | 31% | 0.314 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.1 | 143.7 | -175.4 | -149.2 | 79.1 | 0 | 0 | 0 | 113 | E158 | L156-E158 HydrophobicContact CD2-CB 3.97Å; L156-E158 HydrophobicContact CD2-CG 4.45Å; L156-E158 HydrophobicContact CG-CB 4.43Å |
| 157 | L | 30.4 | Very low | 27.7 | Very low | 45 Ų | 45 | 105.7 Ų | 105.7 | 24% | 0.236 | 57% | 0.57 | C | S | . | * | trans | -136.2 | 105.2 | 164.4 | -164.4 | 112.1 | 0 | 0 | 0 | 106.9 | L104 M110 L139 M154 | L104-L157 HydrophobicContact CD1-CD2 3.81Å; M110-L157 HydrophobicContact CE-CD1 3.59Å; M110-L157 HydrophobicContact SD-CD1 4.48Å; L139-L157 HydrophobicContact CD2-CD1 3.69Å; L139-L157 HydrophobicContact CD2-CG 4.47Å; M154-L157 HydrophobicContact SD-CD1 4.47Å | ||
| 158 | E | 30.6 | Very low | 27.4 | Very low | 90 Ų | 90 | 103.3 Ų | 103.3 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | trans | -110.6 | 110.9 | -168.3 | -156.8 | 170.3 | -122.7 | 0 | 0 | 111.8 | N140 L156 A160 H245 | N140-E158 VanDerWaalsContact CB-O 3.31Å; N140-E158 WeakPolarHBondContact CB-O 3.48Å; N140-E158 PolarHBondContact ND2-O 2.82Å; L156-E158 HydrophobicContact CD2-CB 3.97Å; L156-E158 HydrophobicContact CD2-CG 4.45Å; L156-E158 HydrophobicContact CG-CB 4.43Å; E158-A160 PolarHBondContact O-N 3.17Å; E158-H245 IonicContact OE2-CE1 2.78Å; E158-H245 PolarHBondContact OE2-CE1 2.93Å; E158-H245 VanDerWaalsContact OE2-CE1 3.3Å; E158-H245 IonicContact OE2-ND1 3.75Å | ||
| 159 | R | 25.4 | Very low | 27.1 | Very low | 135 Ų | 135 | 106.3 Ų | 106.3 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | trans | -88.9 | 85.6 | 174.6 | -156.6 | -177.4 | -161.6 | -148.1 | 6.6 | 108.6 | D105 S161 | D105-R159 IonicContact OD1-NH2 3.6Å; D105-R159 IonicContact OD2-CZ 3.62Å; D105-R159 VanDerWaalsContact OD2-CZ 3.22Å; D105-R159 IonicContact OD2-NE 2.76Å; D105-R159 PolarHBondContact OD2-NE 3.34Å; D105-R159 VanDerWaalsContact OD2-NE 3.14Å; D105-R159 IonicContact OD2-NH2 2.72Å; D105-R159 PolarHBondContact OD2-NH2 3Å; R159-S161 VanDerWaalsContact C-N 3.32Å; R159-S161 PolarHBondContact O-N 3.43Å | ||
| 160 | A | 24.2 | Very low | 26.7 | Very low | 81 Ų | 81 | 109.5 Ų | 109.5 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | trans | -70.5 | 82.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E158 | E158-A160 PolarHBondContact O-N 3.17Š| ||
| 161 | S | 21.8 | Very low | 26.4 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 72% | 0.72 | 60% | 0.603 | S | S | * | * | trans | -67.9 | 130.4 | 167.8 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | R159 | R159-S161 VanDerWaalsContact C-N 3.32Å; R159-S161 PolarHBondContact O-N 3.43Å | ||
| 162 | S | 21 | Very low | 25.9 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 68.8 | 73.6 | 172.8 | 73.1 | 0 | 0 | 0 | 0 | 118.6 | ||
| 163 | T | 20.9 | Very low | 25.4 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 87% | 0.865 | 63% | 0.627 | S | S | * | * | -172.2 | 143.9 | 120.8 | 17.3 | 0 | 0 | 0 | 0 | 112.1 | M165 | T163-M165 PolarHBondContact O-N 3.4Š| |||
| 164 | R | 19.6 | Very low | 24.8 | Very low | 257 Ų | 257 | 123.4 Ų | 123.4 | 97% | 0.97 | 65% | 0.651 | S | S | * | * | trans | -67 | 113.4 | 177.4 | -72.4 | 178.7 | 172.6 | -178.9 | -3 | 110.8 | ||||
| 165 | M | 21.8 | Very low | 24.1 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | trans | -104 | 122.7 | 152.5 | -104.3 | -168.8 | -62 | 0 | 0 | 108.7 | T163 I167 | T163-M165 PolarHBondContact O-N 3.4Å; M165-I167 PolarHBondContact O-N 2.81Å | ||
| 166 | A | 20.3 | Very low | 23.6 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 88% | 0.876 | 70% | 0.697 | S | S | * | * | trans | -76.6 | 111.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 167 | I | 21.6 | Very low | 23.2 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | trans | -82.3 | 111.9 | 167.9 | -59.4 | 174.5 | 0 | 0 | 0 | 106.8 | M165 | M165-I167 PolarHBondContact O-N 2.81Š| ||
| 168 | S | 22.2 | Very low | 22.8 | Very low | 86 Ų | 86 | 137.7 Ų | 137.7 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | trans | -73.7 | 148.6 | 167.4 | 69.9 | 0 | 0 | 0 | 0 | 109.7 | E170 | S168-E170 PolarHBondContact O-N 3.16Š| ||
| 169 | K | 24.3 | Very low | 22.6 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 94% | 0.939 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 5.9 | -166.7 | -97 | -177.4 | 172.8 | -178.6 | 0 | 116.3 | ||
| 170 | E | 22.2 | Very low | 22.7 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | -17.2 | -159.5 | -68.7 | -171.1 | 143 | 0 | 0 | 117.8 | S168 | S168-E170 PolarHBondContact O-N 3.16Š|
| 171 | N | 23.1 | Very low | 23.1 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | trans | -113.6 | 112 | -175.4 | -80.9 | -36.5 | 0 | 0 | 0 | 114.6 | ||||
| 172 | K | 21.6 | Very low | 23.6 | Very low | 211 Ų | 211 | 131 Ų | 131 | 92% | 0.917 | 69% | 0.687 | S | S | * | * | trans | -75.5 | 132 | 162.9 | -63.4 | 172.4 | -178.8 | 170.2 | 0 | 109 | ||||
| 173 | S | 22.2 | Very low | 24.1 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 57% | 0.573 | 69% | 0.692 | S | S | * | * | trans | -141.4 | 120.9 | 175.5 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 174 | E | 21.9 | Very low | 24.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | trans | -87.2 | 155.5 | 177.5 | -73.2 | 161.2 | -174 | 0 | 0 | 111.8 | ||||
| 175 | F | 23.6 | Very low | 25.3 | Very low | 172 Ų | 172 | 121.3 Ų | 121.3 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | trans | -114.6 | 128.4 | 172.6 | -77.5 | -92.6 | 0 | 0 | 0 | 110.5 | ||||
| 176 | I | 23 | Very low | 26 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | trans | -105.8 | 131.2 | 175.8 | -58.7 | 175.5 | 0 | 0 | 0 | 109.6 | ||||
| 177 | L | 24.9 | Very low | 26.6 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | trans | -123.1 | 122.7 | 170.1 | -78.8 | 164.4 | 0 | 0 | 0 | 109.3 | I143 | I143-L177 HydrophobicContact CG2-CD1 3.47Å; I143-L177 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 178 | S | 23.4 | Very low | 27.2 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 64% | 0.643 | 59% | 0.587 | S | S | * | * | trans | -90.2 | 146.1 | 178 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | T122 | T122-S178 WeakPolarHBondContact O-CA 3.49Š| ||
| 179 | A | 24.7 | Very low | 27.7 | Very low | 50 Ų | 50 | 109 Ų | 109 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | trans | -117.6 | 148.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | T122 Y194 | T122-A179 PolarHBondContact O-N 2.96Å; A179-Y194 PolarHBondContact O-OH 3.08Å | ||
| 180 | Y | 29 | Very low | 27.9 | Very low | 105 Ų | 105 | 104.8 Ų | 104.8 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | trans | -78 | 119.1 | -179.3 | 179.8 | -74.3 | 0 | 0 | 0 | 111.6 | P182 Y194 | Y180-P182 HydrophobicContact CE1-CB 4.11Å; Y180-Y194 AromaticContact CD2-CD1 3.28Å; Y180-Y194 HydrophobicContact CD2-CD1 3.28Å; Y180-Y194 AromaticContact CD2-CE1 3.67Å; Y180-Y194 HydrophobicContact CD2-CE1 3.67Å; Y180-Y194 AromaticContact CD2-CG 3.85Å; Y180-Y194 HydrophobicContact CD2-CG 3.85Å; Y180-Y194 AromaticContact CE2-CD1 3.81Å; Y180-Y194 HydrophobicContact CE2-CD1 3.81Å; Y180-Y194 AromaticContact CE2-CG 3.95Å; Y180-Y194 HydrophobicContact CE2-CG 3.95Å; Y180-Y194 HydrophobicContact CG-CD1 4.17Å; Y180-Y194 HydrophobicContact CG-CE1 4.13Å | ||
| 181 | D | 32.9 | Very low | 28.2 | Very low | 55 Ų | 55 | 105.6 Ų | 105.6 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | trans | -96.4 | 116.8 | 171 | -179.9 | 11 | 0 | 0 | 0 | 111.6 | Q183 L184 | D181-Q183 VanDerWaalsContact C-N 3.34Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.41Å; D181-Q183 PolarHBondContact OD1-N 2.77Å; D181-L184 HydrophobicContact CB-CD1 4.17Å; D181-L184 HydrophobicContact CB-CG 4.36Å | ||
| 182 | P | 30.8 | Very low | 28.4 | Very low | 59 Ų | 59 | 104.2 Ų | 104.2 | 38% | 0.383 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.6 | 175 | 30.4 | -35.1 | 0 | 0 | 0 | 114.9 | K148 Y180 K189 | K148-P182 HydrophobicContact CD-CG 4.26Å; Y180-P182 HydrophobicContact CE1-CB 4.11Å; P182-K189 WeakPolarHBondContact O-CE 2.98Å; P182-K189 PolarHBondContact O-NZ 2.97Å |
| 183 | Q | 31.6 | Very low | 28.6 | Very low | 174 Ų | 174 | 96.3 Ų | 96.3 | 81% | 0.813 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.5 | -172.5 | -63.2 | -169.1 | -4.8 | 0 | 0 | 114.4 | D181 | D181-Q183 VanDerWaalsContact C-N 3.34Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.41Å; D181-Q183 PolarHBondContact OD1-N 2.77Å |
| 184 | L | 33.9 | Very low | 28.7 | Very low | 39 Ų | 39 | 94.9 Ų | 94.9 | 20% | 0.204 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -61 | 141.6 | 178.2 | -77.4 | 166.4 | 0 | 0 | 0 | 113 | D181 A188 K189 L192 Y194 | D181-L184 HydrophobicContact CB-CD1 4.17Å; D181-L184 HydrophobicContact CB-CG 4.36Å; L184-A188 HydrophobicContact CB-CB 4.38Å; L184-A188 HydrophobicContact CD2-CB 4.1Å; L184-K189 HydrophobicContact CB-CG 3.97Å; L184-K189 WeakPolarHBondContact O-CD 3.46Å; L184-K189 WeakPolarHBondContact O-CE 3.45Å; L184-K189 PolarHBondContact O-NZ 2.99Å; L184-L192 HydrophobicContact CD1-CD1 3.93Å; L184-Y194 HydrophobicContact CD1-CE2 4.42Å |
| 185 | P | 32.9 | Very low | 28.9 | Very low | 84 Ų | 84 | 93.6 Ų | 93.6 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | trans | -58.1 | 148.3 | 167.9 | -22.9 | 33.5 | 0 | 0 | 0 | 111.7 | S187 A188 K189 | P185-S187 PolarHBondContact O-N 3.14Å; P185-A188 WeakPolarHBondContact O-CA 3.42Å; P185-A188 WeakPolarHBondContact O-CB 3.25Å; P185-A188 PolarHBondContact O-N 3.47Å; P185-K189 PolarHBondContact O-N 3.13Å; P185-K189 VanDerWaalsContact O-N 3.13Å | ||
| 186 | E | 36.4 | Very low | 28.8 | Very low | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.9 | -32.4 | -176.3 | -83 | -54.5 | 147.6 | 0 | 0 | 113.8 | A188 K189 H190 | E186-A188 PolarHBondContact O-N 3.2Å; E186-K189 PolarHBondContact O-N 3.22Å; E186-K189 WeakPolarHBondContact OE1-CD 3.48Å; E186-K189 IonicContact OE1-NZ 3.4Å; E186-H190 PolarHBondContact O-N 3.28Å |
| 187 | S | 33.2 | Very low | 28.6 | Very low | 91 Ų | 91 | 87.9 Ų | 87.9 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -24.7 | 173.6 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | P185 K191 | P185-S187 PolarHBondContact O-N 3.14Å; S187-K191 WeakPolarHBondContact O-CG 3.47Å |
| 188 | A | 33.3 | Very low | 28.7 | Very low | 26 Ų | 26 | 85.9 Ų | 85.9 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -87.5 | -38.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | L184 P185 E186 H190 K191 L192 | L184-A188 HydrophobicContact CB-CB 4.38Å; L184-A188 HydrophobicContact CD2-CB 4.1Å; P185-A188 WeakPolarHBondContact O-CA 3.42Å; P185-A188 WeakPolarHBondContact O-CB 3.25Å; P185-A188 PolarHBondContact O-N 3.47Å; E186-A188 PolarHBondContact O-N 3.2Å; A188-H190 VanDerWaalsContact C-N 3.35Å; A188-H190 PolarHBondContact O-N 3.45Å; A188-K191 PolarHBondContact O-N 2.77Å; A188-K191 VanDerWaalsContact O-N 3.14Å; A188-L192 PolarHBondContact O-N 3.23Å |
| 189 | K | 32.7 | Very low | 28.7 | Very low | 24 Ų | 24 | 84.9 Ų | 84.9 | 10% | 0.104 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.1 | -73 | 165.7 | 171.5 | 151.5 | 0 | 112.3 | P182 L184 P185 E186 K191 L192 G193 Y194 | P182-K189 WeakPolarHBondContact O-CE 2.98Å; P182-K189 PolarHBondContact O-NZ 2.97Å; L184-K189 HydrophobicContact CB-CG 3.97Å; L184-K189 WeakPolarHBondContact O-CD 3.46Å; L184-K189 WeakPolarHBondContact O-CE 3.45Å; L184-K189 PolarHBondContact O-NZ 2.99Å; P185-K189 PolarHBondContact O-N 3.13Å; P185-K189 VanDerWaalsContact O-N 3.13Å; E186-K189 PolarHBondContact O-N 3.22Å; E186-K189 WeakPolarHBondContact OE1-CD 3.48Å; E186-K189 IonicContact OE1-NZ 3.4Å; K189-K191 VanDerWaalsContact C-N 3.35Å; K189-K191 PolarHBondContact O-N 2.89Å; K189-L192 PolarHBondContact O-N 2.96Å; K189-G193 PolarHBondContact O-N 2.83Å; K189-Y194 PolarHBondContact O-N 2.89Å; K189-Y194 VanDerWaalsContact O-N 3.12Å |
| 190 | H | 28.5 | Very low | 28.5 | Very low | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.5 | 174.2 | -109.6 | -102.2 | 0 | 0 | 0 | 113.7 | E186 A188 F195 | E186-H190 PolarHBondContact O-N 3.28Å; A188-H190 VanDerWaalsContact C-N 3.35Å; A188-H190 PolarHBondContact O-N 3.45Å; H190-F195 AromaticContact CE1-CE1 3.86Å; H190-F195 AromaticContact NE2-CE1 3.99Å |
| 191 | K | 29.6 | Very low | 28.2 | Very low | 190 Ų | 190 | 91.3 Ų | 91.3 | 83% | 0.826 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -28 | 176.5 | -79.5 | -179 | 176.5 | 179.5 | 0 | 113.4 | S187 A188 K189 | S187-K191 WeakPolarHBondContact O-CG 3.47Å; A188-K191 PolarHBondContact O-N 2.77Å; A188-K191 VanDerWaalsContact O-N 3.14Å; K189-K191 VanDerWaalsContact C-N 3.35Å; K189-K191 PolarHBondContact O-N 2.89Å |
| 192 | L | 27.4 | Very low | 27.6 | Very low | 97 Ų | 97 | 98.3 Ų | 98.3 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 2.2 | -179.3 | -68.1 | 169.5 | 0 | 0 | 0 | 113.9 | L184 A188 K189 Y194 | L184-L192 HydrophobicContact CD1-CD1 3.93Å; A188-L192 PolarHBondContact O-N 3.23Å; K189-L192 PolarHBondContact O-N 2.96Å; L192-Y194 HydrophobicContact CB-CD2 3.98Å; L192-Y194 HydrophobicContact CB-CE2 4.02Å; L192-Y194 HydrophobicContact CD1-CE2 4.37Å |
| 193 | G | 25.7 | Very low | 27.2 | Very low | 46 Ų | 46 | 101.4 Ų | 101.4 | 47% | 0.474 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 21.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | K189 F195 | K189-G193 PolarHBondContact O-N 2.83Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.1Å |
| 194 | Y | 24.1 | Very low | 26.6 | Very low | 51 Ų | 51 | 103 Ų | 103 | 20% | 0.2 | 55% | 0.55 | C | S | . | * | trans | -77.9 | 73.4 | 179 | -75.2 | -54.1 | 0 | 0 | 0 | 112.8 | A179 Y180 L184 K189 L192 | A179-Y194 PolarHBondContact O-OH 3.08Å; Y180-Y194 AromaticContact CD2-CD1 3.28Å; Y180-Y194 HydrophobicContact CD2-CD1 3.28Å; Y180-Y194 AromaticContact CD2-CE1 3.67Å; Y180-Y194 HydrophobicContact CD2-CE1 3.67Å; Y180-Y194 AromaticContact CD2-CG 3.85Å; Y180-Y194 HydrophobicContact CD2-CG 3.85Å; Y180-Y194 AromaticContact CE2-CD1 3.81Å; Y180-Y194 HydrophobicContact CE2-CD1 3.81Å; Y180-Y194 AromaticContact CE2-CG 3.95Å; Y180-Y194 HydrophobicContact CE2-CG 3.95Å; Y180-Y194 HydrophobicContact CG-CD1 4.17Å; Y180-Y194 HydrophobicContact CG-CE1 4.13Å; L184-Y194 HydrophobicContact CD1-CE2 4.42Å; K189-Y194 PolarHBondContact O-N 2.89Å; K189-Y194 VanDerWaalsContact O-N 3.12Å; L192-Y194 HydrophobicContact CB-CD2 3.98Å; L192-Y194 HydrophobicContact CB-CE2 4.02Å; L192-Y194 HydrophobicContact CD1-CE2 4.37Å | ||
| 195 | F | 24.7 | Very low | 26.1 | Very low | 129 Ų | 129 | 103.5 Ų | 103.5 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | trans | -88.5 | 116.9 | 173.4 | -66.4 | -76.8 | 0 | 0 | 0 | 111.6 | H190 G193 I197 | H190-F195 AromaticContact CE1-CE1 3.86Å; H190-F195 AromaticContact NE2-CE1 3.99Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.1Å; F195-I197 VanDerWaalsContact C-N 3.29Å; F195-I197 PolarHBondContact O-N 2.94Å | ||
| 196 | G | 21.7 | Very low | 25.6 | Very low | 61 Ų | 61 | 105.1 Ų | 105.1 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -73.2 | 70.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 197 | I | 20.3 | Very low | 25 | Very low | 125 Ų | 125 | 105.5 Ų | 105.5 | 64% | 0.641 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 64.8 | 120.5 | 172.6 | -54.9 | 177.3 | 0 | 0 | 0 | 111.9 | F195 R330 | F195-I197 VanDerWaalsContact C-N 3.29Å; F195-I197 PolarHBondContact O-N 2.94Å; I197-R330 PolarHBondContact O-NH1 2.81Å |
| 198 | P | 26.7 | Very low | 24.5 | Very low | 58 Ų | 58 | 110.6 Ų | 110.6 | 38% | 0.377 | 59% | 0.589 | S | S | . | * | cis | -129.1 | -161.2 | -41.4 | 18.5 | 6.2 | 0 | 0 | 0 | 111 | D375 Y376 | P198-D375 WeakPolarHBondContact CD-OD2 3.16Å; P198-Y376 VanDerWaalsContact CA-OH 3.28Å; P198-Y376 WeakPolarHBondContact CA-OH 3.12Å; P198-Y376 WeakPolarHBondContact CB-OH 3.29Å; P198-Y376 WeakPolarHBondContact CD-OH 3.27Å; P198-Y376 HydrophobicContact CG-CE2 3.79Å; P198-Y376 WeakPolarHBondContact CG-OH 3.39Å; P198-Y376 PolarHBondContact O-OH 2.84Å | ||
| 199 | T | 21.7 | Very low | 24.1 | Very low | 72 Ų | 72 | 114.2 Ų | 114.2 | 44% | 0.442 | 60% | 0.601 | S | S | . | * | trans | 114 | 143.3 | 163.3 | 83.1 | 0 | 0 | 0 | 0 | 117.2 | Y376 | T199-Y376 WeakPolarHBondContact CA-OH 3.43Å; T199-Y376 WeakPolarHBondContact CB-OH 3.42Å; T199-Y376 HydrophobicContact CG2-CD1 4.35Å; T199-Y376 HydrophobicContact CG2-CE1 3.85Å; T199-Y376 PolarHBondContact N-OH 2.67Å | ||
| 200 | L | 20.9 | Very low | 23.8 | Very low | 157 Ų | 157 | 117.4 Ų | 117.4 | 82% | 0.822 | 62% | 0.619 | S | S | * | * | trans | 44.4 | 97.2 | 165.6 | -79.7 | 160.9 | 0 | 0 | 0 | 119.5 | K202 | L200-K202 PolarHBondContact O-N 3.23Š| ||
| 201 | V | 22.5 | Very low | 23.7 | Very low | 132 Ų | 132 | 117.4 Ų | 117.4 | 80% | 0.8 | 62% | 0.617 | S | S | * | * | trans | -81.5 | 110.4 | 160.8 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | I203 | V201-I203 HydrophobicContact CG1-CG1 3.77Š| ||
| 202 | K | 20.5 | Very low | 23.5 | Very low | 203 Ų | 203 | 111.5 Ų | 111.5 | 88% | 0.883 | 59% | 0.59 | S | S | * | * | trans | -95.5 | 99.4 | 171.3 | -168.3 | 177.5 | -173.9 | 177 | 0 | 109.5 | L200 K204 | L200-K202 PolarHBondContact O-N 3.23Å; K202-K204 PolarHBondContact O-N 3.11Å | ||
| 203 | I | 22 | Very low | 23.5 | Very low | 124 Ų | 124 | 109.5 Ų | 109.5 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -80 | 119.9 | -176 | -56.9 | 178 | 0 | 0 | 0 | 111 | V201 | V201-I203 HydrophobicContact CG1-CG1 3.77Š| ||
| 204 | K | 20.8 | Very low | 23.6 | Very low | 207 Ų | 207 | 109.6 Ų | 109.6 | 90% | 0.9 | 57% | 0.569 | S | S | * | * | trans | -83.6 | 118.4 | 153.3 | -86.8 | -173.8 | 172.4 | -176.8 | 0 | 107.9 | K202 | K202-K204 PolarHBondContact O-N 3.11Š| ||
| 205 | S | 23.3 | Very low | 23.8 | Very low | 50 Ų | 50 | 112.2 Ų | 112.2 | 35% | 0.35 | 58% | 0.582 | S | S | . | * | trans | -107.9 | 124.6 | 172.8 | 153.4 | 0 | 0 | 0 | 0 | 109.5 | T207 | S205-T207 PolarHBondContact OG-O 2.72Å; S205-T207 VanDerWaalsContact OG-O 3.13Å | ||
| 206 | P | 21.5 | Very low | 24 | Very low | 117 Ų | 117 | 109.8 Ų | 109.8 | 76% | 0.76 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -86.7 | 98.4 | 157.9 | 31.3 | -24.7 | 0 | 0 | 0 | 108.8 | ||
| 207 | T | 23.6 | Very low | 24.2 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 78% | 0.779 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 74.9 | 133.3 | 178.6 | 75.1 | 0 | 0 | 0 | 0 | 117.1 | S205 | S205-T207 PolarHBondContact OG-O 2.72Å; S205-T207 VanDerWaalsContact OG-O 3.13Å |
| 208 | K | 23.8 | Very low | 24.5 | Very low | 198 Ų | 198 | 117 Ų | 117 | 86% | 0.861 | 57% | 0.574 | S | S | * | * | trans | 50.1 | 103.3 | 173.4 | -62.6 | -175.8 | -179.8 | -179.8 | 0 | 117.7 | ||||
| 209 | Q | 24.9 | Very low | 24.5 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 48% | 0.477 | 60% | 0.602 | S | S | . | * | trans | -93.2 | 137.5 | 167.1 | -69 | -179.9 | -16 | 0 | 0 | 111.5 | F211 | Q209-F211 HydrophobicContact CB-CE2 3.95Å; Q209-F211 HydrophobicContact CB-CZ 3.79Å | ||
| 210 | I | 25 | Very low | 24.6 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 47% | 0.467 | 62% | 0.618 | S | S | . | * | trans | -115 | 140 | 176.1 | -54.4 | 179.6 | 0 | 0 | 0 | 108.8 | Y212 Q281 | I210-Y212 HydrophobicContact CG2-CE2 4.33Å; I210-Q281 VanDerWaalsContact CD1-OE1 3.29Å | ||
| 211 | F | 26.2 | Very low | 24.7 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | trans | -123.2 | 136.6 | -170.1 | -58.3 | -86.7 | 0 | 0 | 0 | 112 | Q209 | Q209-F211 HydrophobicContact CB-CE2 3.95Å; Q209-F211 HydrophobicContact CB-CZ 3.79Å | ||
| 212 | Y | 26.5 | Very low | 24.7 | Very low | 67 Ų | 67 | 123.1 Ų | 123.1 | 26% | 0.263 | 60% | 0.604 | S | S | . | * | trans | -120.8 | 138.9 | 175 | -68.3 | -82.5 | 0 | 0 | 0 | 111.6 | I210 V279 Q281 | I210-Y212 HydrophobicContact CG2-CE2 4.33Å; Y212-V279 HydrophobicContact CD2-CG1 4.19Å; Y212-V279 HydrophobicContact CE1-CG1 4.2Å; Y212-V279 HydrophobicContact CE2-CG1 3.73Å; Y212-Q281 PolarHBondContact OH-OE1 2.68Å | ||
| 213 | D | 27.3 | Very low | 24.7 | Very low | 54 Ų | 54 | 121.9 Ų | 121.9 | 29% | 0.289 | 60% | 0.601 | S | S | . | * | trans | -105.5 | 90.4 | -179.4 | -165 | 17.6 | 0 | 0 | 0 | 109.2 | K215 | D213-K215 WeakPolarHBondContact OD2-CE 3.46Å; D213-K215 IonicContact OD2-NZ 2.78Å; D213-K215 PolarHBondContact OD2-NZ 2.03Å | ||
| 214 | I | 28.1 | Very low | 24.9 | Very low | 48 Ų | 48 | 121.6 Ų | 121.6 | 25% | 0.246 | 60% | 0.604 | C | S | . | * | trans | -86.2 | 118.6 | -175.3 | -57.4 | 177 | 0 | 0 | 0 | 110.1 | F216 I293 | I214-F216 HydrophobicContact CG2-CE1 4.31Å; I214-F216 HydrophobicContact CG2-CE2 3.87Å; I214-F216 HydrophobicContact CG2-CZ 3.76Å; I214-I293 HydrophobicContact CD1-CD1 3.76Å | ||
| 215 | K | 27.2 | Very low | 25 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | B | Isolated β-bridge | trans | -115.6 | 117.5 | -179.2 | -71.2 | 177.5 | -176.7 | 165.4 | 0 | 111.6 | D213 | D213-K215 WeakPolarHBondContact OD2-CE 3.46Å; D213-K215 IonicContact OD2-NZ 2.78Å; D213-K215 PolarHBondContact OD2-NZ 2.03Å |
| 216 | F | 28.7 | Very low | 25 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 34% | 0.338 | 61% | 0.607 | S | S | . | * | trans | -88.2 | 123.6 | 173.4 | -59.4 | -79.5 | 0 | 0 | 0 | 110.3 | I214 V269 F295 | I214-F216 HydrophobicContact CG2-CE1 4.31Å; I214-F216 HydrophobicContact CG2-CE2 3.87Å; I214-F216 HydrophobicContact CG2-CZ 3.76Å; F216-V269 HydrophobicContact CD1-CG1 4.48Å; F216-V269 HydrophobicContact CD1-CG2 4.01Å; F216-V269 HydrophobicContact CE1-CG1 4.41Å; F216-F295 AromaticContact CE1-CE2 3.86Å; F216-F295 HydrophobicContact CE1-CE2 3.86Å; F216-F295 AromaticContact CE1-CZ 3.81Å; F216-F295 HydrophobicContact CE1-CZ 3.81Å; F216-F295 HydrophobicContact CZ-CE1 4.43Å; F216-F295 HydrophobicContact CZ-CE2 4.05Å; F216-F295 AromaticContact CZ-CZ 3.98Å; F216-F295 HydrophobicContact CZ-CZ 3.98Å | ||
| 217 | R | 26.2 | Very low | 25 | Very low | 208 Ų | 208 | 125.3 Ų | 125.3 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | trans | -116.1 | 115.5 | 179.6 | -145 | 177.3 | -170.2 | -176.4 | 2.6 | 110.4 | T266 | R217-T266 HydrophobicContact CB-CG2 3.87Š| ||
| 218 | K | 28.1 | Very low | 25 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | trans | -90.6 | 128.7 | 176.9 | -179.1 | -174.8 | 169.1 | -145.1 | 0 | 110 | G220 S221 | K218-G220 PolarHBondContact O-N 3.2Å; K218-G220 VanDerWaalsContact O-N 3.08Å; K218-S221 PolarHBondContact NZ-OG 3Å | ||
| 219 | K | 26.3 | Very low | 24.9 | Very low | 220 Ų | 220 | 129.8 Ų | 129.8 | 96% | 0.957 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 108.9 | 172.3 | -139.1 | 173.9 | -174.3 | 177.6 | 0 | 108.8 | ||
| 220 | G | 23.8 | Very low | 24.8 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.5 | 20.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120 | K218 | K218-G220 PolarHBondContact O-N 3.2Å; K218-G220 VanDerWaalsContact O-N 3.08Å |
| 221 | S | 22.2 | Very low | 24.6 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -176 | 126.9 | 158.3 | 19.1 | 0 | 0 | 0 | 0 | 114.6 | K218 | K218-S221 PolarHBondContact NZ-OG 3Š|
| 222 | Q | 22.1 | Very low | 24.4 | Very low | 188 Ų | 188 | 133.4 Ų | 133.4 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | 42.1 | 135.9 | 161.7 | -76.9 | 177.1 | -24.8 | 0 | 0 | 120 | ||||
| 223 | H | 22.1 | Very low | 24.4 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | trans | -67.3 | 132.6 | -172.8 | -61.6 | -97.5 | 0 | 0 | 0 | 112.8 | ||||
| 224 | V | 24.4 | Very low | 24.2 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 71% | 0.709 | 68% | 0.683 | S | S | * | * | trans | -87.5 | 101 | 155.2 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | I226 | V224-I226 HydrophobicContact CG1-CG1 4.01Š| ||
| 225 | M | 22.8 | Very low | 24.1 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 80% | 0.803 | 71% | 0.708 | S | S | * | * | trans | -82 | 113.6 | 168.7 | -79.9 | -160.5 | -63.8 | 0 | 0 | 109.2 | ||||
| 226 | I | 24.5 | Very low | 24 | Very low | 96 Ų | 96 | 149 Ų | 149 | 49% | 0.492 | 73% | 0.728 | S | S | . | * | trans | -100.6 | 108.7 | 163 | -43.7 | -177.8 | 0 | 0 | 0 | 106.4 | V224 W228 | V224-I226 HydrophobicContact CG1-CG1 4.01Å; I226-W228 PolarHBondContact O-N 2.83Å | ||
| 227 | K | 21.3 | Very low | 23.9 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -77.9 | 115.9 | 176.7 | -100.5 | -177.5 | 174.7 | 178 | 0 | 109.3 | ||||
| 228 | W | 23.7 | Very low | 23.8 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | trans | -125.3 | 150.2 | 161.3 | -65.5 | 98.6 | 0 | 0 | 0 | 110.4 | I226 | I226-W228 PolarHBondContact O-N 2.83Š| ||
| 229 | K | 21.8 | Very low | 23.7 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -78.5 | 128.5 | -168.1 | -160 | 174.7 | -176.8 | -179.4 | 0 | 110.3 | ||||
| 230 | T | 21.6 | Very low | 23.8 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | -70.6 | 131.1 | -177.6 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 231 | V | 21.8 | Very low | 23.9 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | trans | -129.5 | 146.5 | 163.2 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 232 | K | 21.9 | Very low | 24.3 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -115.2 | 126.7 | -168 | -167.7 | -174.4 | -173.5 | -173 | 0 | 108.9 | ||||
| 233 | I | 25.7 | Very low | 24.5 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 67% | 0.667 | 65% | 0.653 | S | S | * | * | trans | -131.9 | 143.1 | 173.8 | -59.5 | -178 | 0 | 0 | 0 | 109.4 | ||||
| 234 | T | 23.9 | Very low | 24.8 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 76% | 0.761 | 63% | 0.627 | S | S | * | * | trans | -117.6 | 102.8 | -171.8 | 45.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 235 | D | 25.2 | Very low | 25 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | trans | -152.2 | 150.6 | 159.5 | -143.7 | -28.4 | 0 | 0 | 0 | 111.3 | ||||
| 236 | K | 27 | Very low | 25.1 | Very low | 208 Ų | 208 | 116.3 Ų | 116.3 | 90% | 0.904 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -103.8 | -6.5 | -163.5 | -80.6 | -175.8 | 176 | 177.9 | 0 | 115.6 | ||
| 237 | T | 24.6 | Very low | 25.3 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | trans | -107.4 | -6.4 | -162.4 | 47.5 | 0 | 0 | 0 | 0 | 116.5 | H239 | T237-H239 PolarHBondContact O-N 2.8Š| ||
| 238 | A | 25.7 | Very low | 25.6 | Very low | 41 Ų | 41 | 110.4 Ų | 110.4 | 34% | 0.339 | 57% | 0.566 | S | S | . | * | trans | -76.9 | 112 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R263 | A238-R263 VanDerWaalsContact O-CZ 3.28Å; A238-R263 PolarHBondContact O-NH1 2.91Å; A238-R263 PolarHBondContact O-NH2 3.31Å | ||
| 239 | H | 26.1 | Very low | 25.8 | Very low | 165 Ų | 165 | 104.7 Ų | 104.7 | 76% | 0.764 | 55% | 0.552 | S | S | * | * | trans | -91.5 | 99.5 | 167 | -69.7 | -82.6 | 0 | 0 | 0 | 110.6 | T237 | T237-H239 PolarHBondContact O-N 2.8Š| ||
| 240 | S | 27.3 | Very low | 25.9 | Very low | 33 Ų | 33 | 101.4 Ų | 101.4 | 23% | 0.231 | 54% | 0.54 | C | S | . | . | trans | -92.9 | 107.2 | -176.6 | -46.8 | 0 | 0 | 0 | 0 | 111.7 | R263 | S240-R263 PolarHBondContact OG-NH1 3.21Š| ||
| 241 | V | 26.3 | Very low | 26.1 | Very low | 93 Ų | 93 | 102.4 Ų | 102.4 | 56% | 0.564 | 55% | 0.548 | S | S | * | . | trans | -94.2 | 133.8 | 162.7 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | I243 | V241-I243 HydrophobicContact CG1-CG1 4.48Š| ||
| 242 | I | 29.6 | Very low | 26.4 | Very low | 41 Ų | 41 | 99.6 Ų | 99.6 | 21% | 0.21 | 53% | 0.529 | C | S | . | . | trans | -125.8 | 116.7 | -172.3 | -60.7 | 178.7 | 0 | 0 | 0 | 108.6 | F244 I265 V279 | I242-F244 HydrophobicContact CG2-CE1 4.46Å; I242-F244 HydrophobicContact CG2-CE2 3.86Å; I242-F244 HydrophobicContact CG2-CZ 3.81Å; I242-I265 HydrophobicContact CD1-CD1 3.3Å; I242-I265 HydrophobicContact CD1-CG1 4.1Å; I242-V279 HydrophobicContact CD1-CG1 4.46Å | ||
| 243 | I | 28.1 | Very low | 26.7 | Very low | 76 Ų | 76 | 99.1 Ų | 99.1 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | trans | -101.1 | 113.1 | -171.1 | -57.1 | 176.7 | 0 | 0 | 0 | 109.7 | V241 I278 | V241-I243 HydrophobicContact CG1-CG1 4.48Å; I243-I278 VanDerWaalsContact O-O 3.08Å | ||
| 244 | F | 28.1 | Very low | 27 | Very low | 60 Ų | 60 | 96.7 Ų | 96.7 | 26% | 0.263 | 52% | 0.521 | S | S | . | . | trans | -90.3 | 112.5 | 179.2 | -70.7 | -77.3 | 0 | 0 | 0 | 111.7 | I242 T254 I265 I267 V277 | I242-F244 HydrophobicContact CG2-CE1 4.46Å; I242-F244 HydrophobicContact CG2-CE2 3.86Å; I242-F244 HydrophobicContact CG2-CZ 3.81Å; F244-T254 HydrophobicContact CE2-CG2 4.27Å; F244-I265 HydrophobicContact CE2-CG2 4.32Å; F244-I265 HydrophobicContact CZ-CG2 3.85Å; F244-I267 HydrophobicContact CD1-CD1 4.41Å; F244-I267 HydrophobicContact CE1-CD1 3.46Å; F244-I267 VanDerWaalsContact CE1-CD1 3.46Å; F244-I267 HydrophobicContact CE1-CG1 3.88Å; F244-I267 HydrophobicContact CZ-CD1 3.99Å; F244-I267 HydrophobicContact CZ-CG1 4.02Å; F244-V277 HydrophobicContact CD1-CG1 4.08Å; F244-V277 HydrophobicContact CD1-CG2 4.09Å; F244-V277 HydrophobicContact CE1-CG1 3.69Å; F244-V277 HydrophobicContact CE1-CG2 4.14Å | ||
| 245 | H | 27.6 | Very low | 27.2 | Very low | 87 Ų | 87 | 98.4 Ų | 98.4 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | trans | -109.1 | 94.7 | 163.6 | -97.7 | -66.7 | 0 | 0 | 0 | 111.2 | E158 | E158-H245 IonicContact OE2-CE1 2.78Å; E158-H245 PolarHBondContact OE2-CE1 2.93Å; E158-H245 VanDerWaalsContact OE2-CE1 3.3Å; E158-H245 IonicContact OE2-ND1 3.75Å | ||
| 246 | G | 26 | Very low | 27.4 | Very low | 27 Ų | 27 | 98 Ų | 98 | 28% | 0.278 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -135.8 | 156.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V248 | G246-V248 PolarHBondContact O-N 3.31Š|
| 247 | L | 28 | Very low | 27.5 | Very low | 127 Ų | 127 | 94.6 Ų | 94.6 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | trans | -68.7 | 75.6 | 171.8 | -78 | 161.5 | 0 | 0 | 0 | 110.4 | K273 | L247-K273 WeakPolarHBondContact O-CD 3.25Å; L247-K273 PolarHBondContact O-NZ 3.37Å | ||
| 248 | V | 28 | Very low | 27.6 | Very low | 38 Ų | 38 | 95.3 Ų | 95.3 | 23% | 0.23 | 51% | 0.511 | C | S | . | . | trans | -112.9 | 110.4 | 179.5 | -164.2 | 0 | 0 | 0 | 0 | 107.9 | G246 Q250 L252 Y275 | G246-V248 PolarHBondContact O-N 3.31Å; V248-Q250 WeakPolarHBondContact CG1-O 3.17Å; V248-Q250 PolarHBondContact O-N 3Å; V248-L252 HydrophobicContact CG1-CD1 4.2Å; V248-L252 HydrophobicContact CG1-CD2 4.02Å; V248-L252 HydrophobicContact CG1-CG 4.04Å; V248-L252 HydrophobicContact CG2-CD1 4.26Å; V248-Y275 HydrophobicContact CG2-CD1 4.42Å; V248-Y275 HydrophobicContact CG2-CE1 3.9Å | ||
| 249 | D | 27.4 | Very low | 27.7 | Very low | 96 Ų | 96 | 105.2 Ų | 105.2 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -72.9 | 14.6 | -173.2 | -43.9 | -25.7 | 0 | 0 | 0 | 113 | K273 | D249-K273 IonicContact OD1-NZ 3.3Å; D249-K273 PolarHBondContact OD1-NZ 3.2Å; D249-K273 IonicContact OD2-NZ 2.71Å; D249-K273 PolarHBondContact OD2-NZ 3.12Å |
| 250 | Q | 24.7 | Very low | 28 | Very low | 135 Ų | 135 | 99.9 Ų | 99.9 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -150.4 | 141.9 | 178.5 | -68 | -168.5 | -30.9 | 0 | 0 | 110.9 | V248 L252 | V248-Q250 WeakPolarHBondContact CG1-O 3.17Å; V248-Q250 PolarHBondContact O-N 3Å; Q250-L252 PolarHBondContact O-N 3.2Å |
| 251 | P | 25.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 104.6 Ų | 104.6 | 79% | 0.792 | 55% | 0.554 | S | S | * | * | trans | -63 | 127.8 | 172.8 | 26.5 | -33.8 | 0 | 0 | 0 | 110.6 | ||||
| 252 | L | 28.4 | Very low | 28.4 | Very low | 48 Ų | 48 | 104.9 Ų | 104.9 | 25% | 0.251 | 55% | 0.547 | S | S | . | . | trans | -84.2 | 116.4 | -179.1 | -66.3 | 169.5 | 0 | 0 | 0 | 110.3 | V248 Q250 T254 I267 P268 | V248-L252 HydrophobicContact CG1-CD1 4.2Å; V248-L252 HydrophobicContact CG1-CD2 4.02Å; V248-L252 HydrophobicContact CG1-CG 4.04Å; V248-L252 HydrophobicContact CG2-CD1 4.26Å; Q250-L252 PolarHBondContact O-N 3.2Å; L252-T254 PolarHBondContact O-N 2.85Å; L252-T254 VanDerWaalsContact O-N 3.14Å; L252-I267 HydrophobicContact CD1-CG2 3.96Å; L252-P268 HydrophobicContact CD2-CB 3.69Å; L252-P268 HydrophobicContact CD2-CG 3.84Å; L252-P268 VanDerWaalsContact CD2-O 3.29Å; L252-P268 WeakPolarHBondContact CD2-O 2.95Å | ||
| 253 | Q | 27.9 | Very low | 28.6 | Very low | 179 Ų | 179 | 110 Ų | 110 | 84% | 0.836 | 56% | 0.564 | S | S | * | * | trans | -63.5 | 112.9 | 170.2 | -77.5 | -176.2 | -31 | 0 | 0 | 110.6 | ||||
| 254 | T | 30.4 | Very low | 28.8 | Very low | 79 Ų | 79 | 108.1 Ų | 108.1 | 49% | 0.485 | 56% | 0.558 | S | S | . | * | trans | -91.5 | 102.8 | 171.4 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | F244 L252 I256 | F244-T254 HydrophobicContact CE2-CG2 4.27Å; L252-T254 PolarHBondContact O-N 2.85Å; L252-T254 VanDerWaalsContact O-N 3.14Å; T254-I256 PolarHBondContact O-N 2.9Å | ||
| 255 | E | 28.7 | Very low | 29.2 | Very low | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | trans | -75.3 | 106.7 | 163.7 | -78.3 | -170.2 | 140.1 | 0 | 0 | 110.1 | ||||
| 256 | I | 30 | Very low | 29.6 | Very low | 134 Ų | 134 | 105.5 Ų | 105.5 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | trans | -90.3 | 104.8 | 167.6 | -58.1 | 175 | 0 | 0 | 0 | 107.5 | T254 P258 | T254-I256 PolarHBondContact O-N 2.9Å; I256-P258 VanDerWaalsContact O-CD 3.24Å; I256-P258 WeakPolarHBondContact O-CD 3.33Å | ||
| 257 | Q | 28.5 | Very low | 30.2 | Very low | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | trans | -71.7 | 116.2 | 177.2 | -73.7 | -161.2 | -14.7 | 0 | 0 | 111.2 | R259 | Q257-R259 VanDerWaalsContact C-N 3.28Å; Q257-R259 PolarHBondContact O-N 2.92Å; Q257-R259 VanDerWaalsContact O-N 3.12Å | ||
| 258 | P | 27.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 101.6 Ų | 101.6 | 81% | 0.812 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4.3 | -166.1 | -20.3 | 34 | 0 | 0 | 0 | 116.7 | I256 | I256-P258 VanDerWaalsContact O-CD 3.24Å; I256-P258 WeakPolarHBondContact O-CD 3.33Å |
| 259 | R | 27.7 | Very low | 31.1 | Very low | 249 Ų | 249 | 102 Ų | 102 | 94% | 0.94 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | 18.3 | -166.1 | -68.2 | -172.3 | 175.2 | 178.6 | -1.3 | 115.5 | Q257 | Q257-R259 VanDerWaalsContact C-N 3.28Å; Q257-R259 PolarHBondContact O-N 2.92Å; Q257-R259 VanDerWaalsContact O-N 3.12Å |
| 260 | S | 32.3 | Very low | 31.5 | Very low | 52 Ų | 52 | 101.7 Ų | 101.7 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | trans | -108.6 | 129.2 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | K262 | S260-K262 WeakPolarHBondContact CB-O 2.85Å; S260-K262 PolarHBondContact O-N 2.85Å; S260-K262 WeakPolarHBondContact OG-CA 3.28Å; S260-K262 PolarHBondContact OG-N 3.35Å; S260-K262 PolarHBondContact OG-O 2.92Å | ||
| 261 | S | 30.3 | Very low | 32 | Very low | 133 Ų | 133 | 99.8 Ų | 99.8 | 93% | 0.93 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -66.7 | -8.9 | 168.7 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 262 | K | 31.2 | Very low | 32.5 | Very low | 98 Ų | 98 | 101.6 Ų | 101.6 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -102.7 | 107.3 | 162.9 | -65.7 | -172.1 | 172.6 | -164.5 | 0 | 109.4 | S260 S264 | S260-K262 WeakPolarHBondContact CB-O 2.85Å; S260-K262 PolarHBondContact O-N 2.85Å; S260-K262 WeakPolarHBondContact OG-CA 3.28Å; S260-K262 PolarHBondContact OG-N 3.35Å; S260-K262 PolarHBondContact OG-O 2.92Å; K262-S264 PolarHBondContact O-N 2.8Å |
| 263 | R | 32.8 | Very low | 32.8 | Very low | 149 Ų | 149 | 101.9 Ų | 101.9 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | trans | -73.4 | 105.2 | 166.2 | -68.6 | -174.8 | -179.2 | 172.3 | 3.2 | 108.6 | A238 S240 | A238-R263 VanDerWaalsContact O-CZ 3.28Å; A238-R263 PolarHBondContact O-NH1 2.91Å; A238-R263 PolarHBondContact O-NH2 3.31Å; S240-R263 PolarHBondContact OG-NH1 3.21Å | ||
| 264 | S | 32.7 | Very low | 33.2 | Very low | 37 Ų | 37 | 100.4 Ų | 100.4 | 26% | 0.259 | 51% | 0.505 | S | S | . | . | trans | -109.1 | 131.7 | 176 | 60 | 0 | 0 | 0 | 0 | 110.7 | K262 | K262-S264 PolarHBondContact O-N 2.8Š| ||
| 265 | I | 36.7 | Very low | 33.7 | Very low | 32 Ų | 32 | 97.1 Ų | 97.1 | 16% | 0.164 | 48% | 0.484 | C | S | . | . | trans | -105.4 | 126.9 | 176 | -50 | 138.7 | 0 | 0 | 0 | 107.8 | I242 F244 I267 | I242-I265 HydrophobicContact CD1-CD1 3.3Å; I242-I265 HydrophobicContact CD1-CG1 4.1Å; F244-I265 HydrophobicContact CE2-CG2 4.32Å; F244-I265 HydrophobicContact CZ-CG2 3.85Å; I265-I267 HydrophobicContact CG2-CG1 4.19Å | ||
| 266 | T | 37.2 | Very low | 34.1 | Very low | 59 Ų | 59 | 94.8 Ų | 94.8 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | -102.1 | 119.9 | 173.8 | -57.5 | 0 | 0 | 0 | 0 | 108.4 | R217 P268 | R217-T266 HydrophobicContact CB-CG2 3.87Å; T266-P268 WeakPolarHBondContact O-CD 2.99Å |
| 267 | I | 38.1 | Very low | 34.6 | Very low | 10 Ų | 10 | 88.6 Ų | 88.6 | 5% | 0.051 | 44% | 0.437 | C | S | . | . | trans | -107.7 | 110.5 | -179.3 | -51.4 | 168.1 | 0 | 0 | 0 | 108.2 | F244 L252 I265 V269 V277 | F244-I267 HydrophobicContact CD1-CD1 4.41Å; F244-I267 HydrophobicContact CE1-CD1 3.46Å; F244-I267 VanDerWaalsContact CE1-CD1 3.46Å; F244-I267 HydrophobicContact CE1-CG1 3.88Å; F244-I267 HydrophobicContact CZ-CD1 3.99Å; F244-I267 HydrophobicContact CZ-CG1 4.02Å; L252-I267 HydrophobicContact CD1-CG2 3.96Å; I265-I267 HydrophobicContact CG2-CG1 4.19Å; I267-V269 HydrophobicContact CB-CG1 4.41Å; I267-V269 HydrophobicContact CG2-CG1 3.85Å; I267-V269 PolarHBondContact O-N 3.43Å; I267-V277 HydrophobicContact CD1-CG1 4.44Å; I267-V277 HydrophobicContact CD1-CG2 4.06Å | ||
| 268 | P | 35.9 | Very low | 35 | Very low | 63 Ų | 63 | 84.4 Ų | 84.4 | 41% | 0.409 | 42% | 0.418 | S | S | . | . | trans | -59.8 | 122.3 | 165.5 | -19.1 | 26.9 | 0 | 0 | 0 | 110.4 | L252 T266 | L252-P268 HydrophobicContact CD2-CB 3.69Å; L252-P268 HydrophobicContact CD2-CG 3.84Å; L252-P268 VanDerWaalsContact CD2-O 3.29Å; L252-P268 WeakPolarHBondContact CD2-O 2.95Å; T266-P268 WeakPolarHBondContact O-CD 2.99Å | ||
| 269 | V | 39.3 | Very low | 35.6 | Very low | 46 Ų | 46 | 78.8 Ų | 78.8 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | trans | -127.9 | 134.3 | -176.3 | -73.8 | 0 | 0 | 0 | 0 | 111.1 | F216 I267 Y275 F295 I297 | F216-V269 HydrophobicContact CD1-CG1 4.48Å; F216-V269 HydrophobicContact CD1-CG2 4.01Å; F216-V269 HydrophobicContact CE1-CG1 4.41Å; I267-V269 HydrophobicContact CB-CG1 4.41Å; I267-V269 HydrophobicContact CG2-CG1 3.85Å; I267-V269 PolarHBondContact O-N 3.43Å; V269-Y275 HydrophobicContact CB-CE2 4.2Å; V269-Y275 HydrophobicContact CG1-CD1 4.26Å; V269-Y275 HydrophobicContact CG1-CD2 4.45Å; V269-Y275 HydrophobicContact CG1-CE1 4.15Å; V269-Y275 HydrophobicContact CG1-CE2 4.36Å; V269-Y275 HydrophobicContact CG1-CG 4.43Å; V269-F295 HydrophobicContact CG1-CE2 4.39Å; V269-I297 HydrophobicContact CB-CD1 3.41Å; V269-I297 VanDerWaalsContact CB-CD1 3.41Å; V269-I297 HydrophobicContact CG1-CD1 4.01Å; V269-I297 HydrophobicContact CG2-CD1 3.37Å | ||
| 270 | Q | 35.7 | Very low | 36 | Very low | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | trans | -89.9 | 130.9 | 175.3 | -61.9 | -177.8 | -7.5 | 0 | 0 | 109.8 | Y275 | Q270-Y275 WeakPolarHBondContact CA-OH 3.31Å; Q270-Y275 WeakPolarHBondContact CB-OH 3.33Å; Q270-Y275 PolarHBondContact N-OH 2.92Å; Q270-Y275 WeakPolarHBondContact O-CE2 3.33Å; Q270-Y275 PolarHBondContact O-OH 3.01Å | ||
| 271 | L | 34.7 | Very low | 36.2 | Very low | 94 Ų | 94 | 66.5 Ų | 66.5 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 143.5 | 171 | -70.7 | 163.6 | 0 | 0 | 0 | 109.9 | I297 | L271-I297 HydrophobicContact CD2-CG2 3.78Š|
| 272 | K | 35.3 | Very low | 36.3 | Very low | 160 Ų | 160 | 63.9 Ų | 63.9 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -13.9 | -179.7 | -47.7 | -177 | 178.6 | 179.5 | 0 | 117.9 | F299 | K272-F299 HydrophobicContact CB-CE2 4.4Å; K272-F299 HydrophobicContact CD-CE2 3.82Å; K272-F299 HydrophobicContact CD-CZ 4.38Å; K272-F299 HydrophobicContact CG-CD2 3.99Å; K272-F299 HydrophobicContact CG-CE2 3.6Å; K272-F299 HydrophobicContact CG-CZ 4.48Å |
| 273 | K | 36 | Very low | 36.4 | Very low | 55 Ų | 55 | 61.7 Ų | 61.7 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -86.8 | 151 | 171.7 | -66.6 | -156.6 | -178.8 | -161.2 | 0 | 111.8 | L247 D249 Y275 | L247-K273 WeakPolarHBondContact O-CD 3.25Å; L247-K273 PolarHBondContact O-NZ 3.37Å; D249-K273 IonicContact OD1-NZ 3.3Å; D249-K273 PolarHBondContact OD1-NZ 3.2Å; D249-K273 IonicContact OD2-NZ 2.71Å; D249-K273 PolarHBondContact OD2-NZ 3.12Å; K273-Y275 HydrophobicContact CB-CE2 3.83Å; K273-Y275 WeakPolarHBondContact O-CD2 3.41Å; K273-Y275 WeakPolarHBondContact O-CE2 3.38Å |
| 274 | K | 36.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 62.6 Ų | 62.6 | 64% | 0.643 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.9 | 165.8 | -78.7 | -174.5 | 176.1 | -178.3 | 0 | 108.1 | R296 | K274-R296 HydrophobicContact CG-CG 4.15Å |
| 275 | Y | 39.8 | Very low | 36.3 | Very low | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130 | 174.8 | -68.1 | -85.1 | 0 | 0 | 0 | 109.7 | V248 V269 Q270 K273 F295 I297 | V248-Y275 HydrophobicContact CG2-CD1 4.42Å; V248-Y275 HydrophobicContact CG2-CE1 3.9Å; V269-Y275 HydrophobicContact CB-CE2 4.2Å; V269-Y275 HydrophobicContact CG1-CD1 4.26Å; V269-Y275 HydrophobicContact CG1-CD2 4.45Å; V269-Y275 HydrophobicContact CG1-CE1 4.15Å; V269-Y275 HydrophobicContact CG1-CE2 4.36Å; V269-Y275 HydrophobicContact CG1-CG 4.43Å; Q270-Y275 WeakPolarHBondContact CA-OH 3.31Å; Q270-Y275 WeakPolarHBondContact CB-OH 3.33Å; Q270-Y275 PolarHBondContact N-OH 2.92Å; Q270-Y275 WeakPolarHBondContact O-CE2 3.33Å; Q270-Y275 PolarHBondContact O-OH 3.01Å; K273-Y275 HydrophobicContact CB-CE2 3.83Å; K273-Y275 WeakPolarHBondContact O-CD2 3.41Å; K273-Y275 WeakPolarHBondContact O-CE2 3.38Å; Y275-F295 HydrophobicContact CD2-CE2 4.19Å; Y275-F295 AromaticContact CG-CE2 3.98Å; Y275-F295 HydrophobicContact CG-CE2 3.98Å; Y275-F295 HydrophobicContact CG-CZ 4.28Å; Y275-F295 PolarHBondContact N-O 2.98Å; Y275-F295 PolarHBondContact O-N 3.29Å; Y275-F295 VanDerWaalsContact O-O 3.09Å; Y275-I297 HydrophobicContact CD2-CD1 3.97Å; Y275-I297 HydrophobicContact CD2-CG1 4.29Å; Y275-I297 HydrophobicContact CE2-CD1 3.98Å |
| 276 | R | 37.9 | Very low | 35.9 | Very low | 111 Ų | 111 | 69.4 Ų | 69.4 | 42% | 0.419 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130 | 159.5 | 175.9 | 165 | -71.4 | -174.8 | -8.5 | 105.8 | I278 V292 D294 | R276-I278 HydrophobicContact CG-CD1 4.43Å; R276-I278 HydrophobicContact CG-CG1 3.99Å; R276-V292 HydrophobicContact CG-CG1 4.17Å; R276-D294 VanDerWaalsContact CB-OD1 3.32Å; R276-D294 WeakPolarHBondContact CB-OD1 3.28Å; R276-D294 VanDerWaalsContact CG-OD1 3.32Å; R276-D294 WeakPolarHBondContact CG-OD1 3.49Å; R276-D294 IonicContact CZ-OD1 3.02Å; R276-D294 IonicContact CZ-OD2 3.91Å; R276-D294 IonicContact NE-OD1 2.65Å; R276-D294 PolarHBondContact NE-OD1 2.86Å; R276-D294 IonicContact NE-OD2 2.67Å; R276-D294 IonicContact NH2-OD1 3.87Å; R276-D294 PolarHBondContact NH2-OD1 2.93Å; R276-D294 IonicContact NH2-OD2 3.22Å; R276-D294 PolarHBondContact NH2-OD2 3.5Å |
| 277 | V | 39.6 | Very low | 35.8 | Very low | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.9 | 170.5 | 168.7 | 0 | 0 | 0 | 0 | 107.1 | F244 I267 V279 I293 F295 | F244-V277 HydrophobicContact CD1-CG1 4.08Å; F244-V277 HydrophobicContact CD1-CG2 4.09Å; F244-V277 HydrophobicContact CE1-CG1 3.69Å; F244-V277 HydrophobicContact CE1-CG2 4.14Å; I267-V277 HydrophobicContact CD1-CG1 4.44Å; I267-V277 HydrophobicContact CD1-CG2 4.06Å; V277-V279 HydrophobicContact CG1-CG2 3.95Å; V277-I293 PolarHBondContact N-O 3.31Å; V277-I293 PolarHBondContact O-N 2.84Å; V277-F295 HydrophobicContact CB-CE1 3.91Å; V277-F295 HydrophobicContact CG2-CE1 3.42Å; V277-F295 VanDerWaalsContact CG2-CE1 3.42Å; V277-F295 HydrophobicContact CG2-CZ 3.83Å |
| 278 | I | 37.8 | Very low | 35.7 | Very low | 48 Ų | 48 | 73.3 Ų | 73.3 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 112.2 | 178.2 | -54.3 | -177.8 | 0 | 0 | 0 | 106.1 | I243 R276 P290 V292 | I243-I278 VanDerWaalsContact O-O 3.08Å; R276-I278 HydrophobicContact CG-CD1 4.43Å; R276-I278 HydrophobicContact CG-CG1 3.99Å; I278-P290 HydrophobicContact CG2-CB 3.7Å; I278-V292 HydrophobicContact CG1-CG2 4.43Å; I278-V292 HydrophobicContact CG2-CG2 4.49Å |
| 279 | V | 40.7 | Very low | 35.6 | Very low | 6 Ų | 6 | 81.8 Ų | 81.8 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 96.3 | 172.6 | -172 | 0 | 0 | 0 | 0 | 107.2 | Y212 I242 V277 I291 | Y212-V279 HydrophobicContact CD2-CG1 4.19Å; Y212-V279 HydrophobicContact CE1-CG1 4.2Å; Y212-V279 HydrophobicContact CE2-CG1 3.73Å; I242-V279 HydrophobicContact CD1-CG1 4.46Å; V277-V279 HydrophobicContact CG1-CG2 3.95Å; V279-I291 HydrophobicContact CB-CB 4.42Å; V279-I291 PolarHBondContact N-O 2.93Å; V279-I291 PolarHBondContact O-N 3.04Å |
| 280 | A | 35.6 | Very low | 35.4 | Very low | 11 Ų | 11 | 82.7 Ų | 82.7 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | trans | -87 | 132.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y282 | A280-Y282 HydrophobicContact CB-CD2 4.47Å; A280-Y282 HydrophobicContact CB-CE2 3.92Å | ||
| 281 | Q | 36.4 | Very low | 35.4 | Very low | 33 Ų | 33 | 82.5 Ų | 82.5 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | trans | -104.1 | 126.4 | 166.7 | 179.9 | 167.9 | -22 | 0 | 0 | 107.9 | I210 Y212 D288 | I210-Q281 VanDerWaalsContact CD1-OE1 3.29Å; Y212-Q281 PolarHBondContact OH-OE1 2.68Å; Q281-D288 PolarHBondContact O-N 2.65Å | ||
| 282 | Y | 32.7 | Very low | 35.3 | Very low | 78 Ų | 78 | 81.6 Ų | 81.6 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.6 | 170.3 | -72.9 | -91.6 | 0 | 0 | 0 | 108.6 | A280 P287 | A280-Y282 HydrophobicContact CB-CD2 4.47Å; A280-Y282 HydrophobicContact CB-CE2 3.92Å; Y282-P287 HydrophobicContact CD1-CB 4.19Å; Y282-P287 HydrophobicContact CE1-CB 3.67Å; Y282-P287 HydrophobicContact CE1-CG 4.17Å |
| 283 | S | 33.7 | Very low | 35.3 | Very low | 52 Ų | 52 | 76.8 Ų | 76.8 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.5 | 163.9 | 61.4 | 0 | 0 | 0 | 0 | 107.6 | G285 K286 | S283-G285 VanDerWaalsContact C-N 3.28Å; S283-G285 PolarHBondContact O-N 3.29Å; S283-K286 PolarHBondContact N-O 3.02Å; S283-K286 PolarHBondContact O-N 2.72Å; S283-K286 VanDerWaalsContact O-O 3.06Å |
| 284 | D | 33.3 | Very low | 35.2 | Very low | 167 Ų | 167 | 78.8 Ų | 78.8 | 89% | 0.893 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 46.9 | 175.7 | -54.3 | -20.5 | 0 | 0 | 0 | 115.4 | K286 | D284-K286 PolarHBondContact O-N 2.91Š|
| 285 | G | 29.1 | Very low | 35.1 | Very low | 53 Ų | 53 | 73.4 Ų | 73.4 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -0.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S283 | S283-G285 VanDerWaalsContact C-N 3.28Å; S283-G285 PolarHBondContact O-N 3.29Å |
| 286 | K | 28.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 81.9 Ų | 81.9 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.1 | 176 | -66.9 | 179.4 | -178.3 | 175.1 | 0 | 110.8 | S283 D284 D288 | S283-K286 PolarHBondContact N-O 3.02Å; S283-K286 PolarHBondContact O-N 2.72Å; S283-K286 VanDerWaalsContact O-O 3.06Å; D284-K286 PolarHBondContact O-N 2.91Å; K286-D288 PolarHBondContact O-N 2.71Å |
| 287 | P | 35.4 | Very low | 34.6 | Very low | 73 Ų | 73 | 78.5 Ų | 78.5 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122 | 169.2 | 28 | -29.9 | 0 | 0 | 0 | 109.7 | Y282 | Y282-P287 HydrophobicContact CD1-CB 4.19Å; Y282-P287 HydrophobicContact CE1-CB 3.67Å; Y282-P287 HydrophobicContact CE1-CG 4.17Å |
| 288 | D | 36 | Very low | 34.1 | Very low | 78 Ų | 78 | 82.9 Ų | 82.9 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 153.7 | 157.3 | -92.2 | -52.8 | 0 | 0 | 0 | 109.5 | Q281 K286 P290 | Q281-D288 PolarHBondContact O-N 2.65Å; K286-D288 PolarHBondContact O-N 2.71Å; D288-P290 VanDerWaalsContact O-N 3.15Å |
| 289 | W | 33.7 | Very low | 33.7 | Very low | 241 Ų | 241 | 84.8 Ų | 84.8 | 91% | 0.913 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -47.3 | 120.3 | -175 | -80.8 | 82.4 | 0 | 0 | 0 | 111.8 | I291 | W289-I291 PolarHBondContact O-N 2.83Š|
| 290 | P | 35.9 | Very low | 33.2 | Very low | 66 Ų | 66 | 92 Ų | 92 | 43% | 0.429 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 124.5 | -172.9 | 23.9 | -33 | 0 | 0 | 0 | 111 | I278 D288 V292 | I278-P290 HydrophobicContact CG2-CB 3.7Å; D288-P290 VanDerWaalsContact O-N 3.15Å; P290-V292 PolarHBondContact O-N 3.27Å; P290-V292 VanDerWaalsContact O-N 3.07Å |
| 291 | I | 34.8 | Very low | 33 | Very low | 85 Ų | 85 | 93.5 Ų | 93.5 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 99.3 | 174.7 | -55.6 | 178.2 | 0 | 0 | 0 | 107.6 | V279 W289 I293 | V279-I291 HydrophobicContact CB-CB 4.42Å; V279-I291 PolarHBondContact N-O 2.93Å; V279-I291 PolarHBondContact O-N 3.04Å; W289-I291 PolarHBondContact O-N 2.83Å; I291-I293 HydrophobicContact CG2-CD1 4.33Å; I291-I293 HydrophobicContact CG2-CG1 3.93Å; I291-I293 PolarHBondContact O-N 3.01Å |
| 292 | V | 32.9 | Very low | 32.8 | Very low | 75 Ų | 75 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 111.8 | 175 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | R276 I278 P290 | R276-V292 HydrophobicContact CG-CG1 4.17Å; I278-V292 HydrophobicContact CG1-CG2 4.43Å; I278-V292 HydrophobicContact CG2-CG2 4.49Å; P290-V292 PolarHBondContact O-N 3.27Å; P290-V292 VanDerWaalsContact O-N 3.07Å |
| 293 | I | 35.9 | Very low | 32.9 | Very low | 60 Ų | 60 | 96 Ų | 96 | 31% | 0.308 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 93.3 | 174 | -47.6 | -179.9 | 0 | 0 | 0 | 107.8 | I214 V277 I291 F295 | I214-I293 HydrophobicContact CD1-CD1 3.76Å; V277-I293 PolarHBondContact N-O 3.31Å; V277-I293 PolarHBondContact O-N 2.84Å; I291-I293 HydrophobicContact CG2-CD1 4.33Å; I291-I293 HydrophobicContact CG2-CG1 3.93Å; I291-I293 PolarHBondContact O-N 3.01Å; I293-F295 HydrophobicContact CG2-CD1 4.02Å; I293-F295 PolarHBondContact O-N 3.24Å |
| 294 | D | 33.1 | Very low | 33.1 | Very low | 97 Ų | 97 | 100.6 Ų | 100.6 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.6 | 166.8 | -86.7 | -15.3 | 0 | 0 | 0 | 108.9 | R276 | R276-D294 VanDerWaalsContact CB-OD1 3.32Å; R276-D294 WeakPolarHBondContact CB-OD1 3.28Å; R276-D294 VanDerWaalsContact CG-OD1 3.32Å; R276-D294 WeakPolarHBondContact CG-OD1 3.49Å; R276-D294 IonicContact CZ-OD1 3.02Å; R276-D294 IonicContact CZ-OD2 3.91Å; R276-D294 IonicContact NE-OD1 2.65Å; R276-D294 PolarHBondContact NE-OD1 2.86Å; R276-D294 IonicContact NE-OD2 2.67Å; R276-D294 IonicContact NH2-OD1 3.87Å; R276-D294 PolarHBondContact NH2-OD1 2.93Å; R276-D294 IonicContact NH2-OD2 3.22Å; R276-D294 PolarHBondContact NH2-OD2 3.5Å |
| 295 | F | 35.5 | Very low | 33.6 | Very low | 35 Ų | 35 | 102 Ų | 102 | 15% | 0.154 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123 | 172.7 | 61.8 | -89.7 | 0 | 0 | 0 | 112 | F216 V269 Y275 V277 I293 I297 | F216-F295 AromaticContact CE1-CE2 3.86Å; F216-F295 HydrophobicContact CE1-CE2 3.86Å; F216-F295 AromaticContact CE1-CZ 3.81Å; F216-F295 HydrophobicContact CE1-CZ 3.81Å; F216-F295 HydrophobicContact CZ-CE1 4.43Å; F216-F295 HydrophobicContact CZ-CE2 4.05Å; F216-F295 AromaticContact CZ-CZ 3.98Å; F216-F295 HydrophobicContact CZ-CZ 3.98Å; V269-F295 HydrophobicContact CG1-CE2 4.39Å; Y275-F295 HydrophobicContact CD2-CE2 4.19Å; Y275-F295 AromaticContact CG-CE2 3.98Å; Y275-F295 HydrophobicContact CG-CE2 3.98Å; Y275-F295 HydrophobicContact CG-CZ 4.28Å; Y275-F295 PolarHBondContact N-O 2.98Å; Y275-F295 PolarHBondContact O-N 3.29Å; Y275-F295 VanDerWaalsContact O-O 3.09Å; V277-F295 HydrophobicContact CB-CE1 3.91Å; V277-F295 HydrophobicContact CG2-CE1 3.42Å; V277-F295 VanDerWaalsContact CG2-CE1 3.42Å; V277-F295 HydrophobicContact CG2-CZ 3.83Å; I293-F295 HydrophobicContact CG2-CD1 4.02Å; I293-F295 PolarHBondContact O-N 3.24Å; F295-I297 HydrophobicContact CD2-CG1 3.84Å; F295-I297 HydrophobicContact CE2-CD1 4.23Å; F295-I297 HydrophobicContact CE2-CG1 3.93Å; F295-I297 PolarHBondContact O-N 2.83Å |
| 296 | R | 31.9 | Very low | 34.7 | Very low | 187 Ų | 187 | 99.6 Ų | 99.6 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 116.5 | 151.5 | -92.2 | 177.3 | 162 | 159 | -7 | 106.6 | K274 P298 | K274-R296 HydrophobicContact CG-CG 4.15Å; R296-P298 VanDerWaalsContact O-CD 3.28Å; R296-P298 WeakPolarHBondContact O-CD 3.37Å |
| 297 | I | 33.4 | Very low | 36 | Very low | 40 Ų | 40 | 96.7 Ų | 96.7 | 21% | 0.205 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 120 | 152.3 | -55.7 | 175.3 | 0 | 0 | 0 | 104.3 | V269 L271 Y275 F295 F299 | V269-I297 HydrophobicContact CB-CD1 3.41Å; V269-I297 VanDerWaalsContact CB-CD1 3.41Å; V269-I297 HydrophobicContact CG1-CD1 4.01Å; V269-I297 HydrophobicContact CG2-CD1 3.37Å; L271-I297 HydrophobicContact CD2-CG2 3.78Å; Y275-I297 HydrophobicContact CD2-CD1 3.97Å; Y275-I297 HydrophobicContact CD2-CG1 4.29Å; Y275-I297 HydrophobicContact CE2-CD1 3.98Å; F295-I297 HydrophobicContact CD2-CG1 3.84Å; F295-I297 HydrophobicContact CE2-CD1 4.23Å; F295-I297 HydrophobicContact CE2-CG1 3.93Å; F295-I297 PolarHBondContact O-N 2.83Å; I297-F299 PolarHBondContact O-N 2.96Å |
| 298 | P | 29.3 | Very low | 37 | Very low | 96 Ų | 96 | 93.7 Ų | 93.7 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 139.6 | 177.5 | -26.2 | 35.2 | 0 | 0 | 0 | 108.1 | R296 K300 | R296-P298 VanDerWaalsContact O-CD 3.28Å; R296-P298 WeakPolarHBondContact O-CD 3.37Å; P298-K300 PolarHBondContact O-N 3.47Å |
| 299 | F | 29.6 | Very low | 38.1 | Very low | 89 Ų | 89 | 92.8 Ų | 92.8 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -46.2 | 144.9 | 160.3 | -150.7 | -108.4 | 0 | 0 | 0 | 106.1 | K272 I297 C301 | K272-F299 HydrophobicContact CB-CE2 4.4Å; K272-F299 HydrophobicContact CD-CE2 3.82Å; K272-F299 HydrophobicContact CD-CZ 4.38Å; K272-F299 HydrophobicContact CG-CD2 3.99Å; K272-F299 HydrophobicContact CG-CE2 3.6Å; K272-F299 HydrophobicContact CG-CZ 4.48Å; I297-F299 PolarHBondContact O-N 2.96Å; F299-C301 PolarHBondContact O-N 2.94Å |
| 300 | K | 30.4 | Very low | 38.9 | Very low | 156 Ų | 156 | 81.8 Ų | 81.8 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | trans | -51.6 | 105.4 | 158.5 | -91.9 | -174.8 | 176 | 179.4 | 0 | 104.3 | P298 F302 | P298-K300 PolarHBondContact O-N 3.47Å; K300-F302 PolarHBondContact O-N 2.86Å | ||
| 301 | C | 30.8 | Very low | 39.9 | Very low | 44 Ų | 44 | 80.9 Ų | 80.9 | 30% | 0.297 | 38% | 0.384 | S | S | . | . | trans | -47.5 | 139.4 | 172.9 | 169.4 | 0 | 0 | 0 | 0 | 105.5 | F299 C303 F327 | F299-C301 PolarHBondContact O-N 2.94Å; C301-C303 HydrophobicContact CB-CB 3.65Å; C301-C303 WeakPolarHBondContact CB-SG 3.32Å; C301-C303 PolarHBondContact O-N 3.3Å; C301-C303 VanDerWaalsContact SG-CA 3.58Å; C301-C303 WeakPolarHBondContact SG-CB 3.3Å; C301-C303 PolarHBondContact SG-N 3.39Å; C301-C303 CovalentContact SG-SG 2.03Å; C301-C303 PolarHBondContact SG-SG 2.72Å; C301-F327 VanDerWaalsContact SG-CE1 3.52Å | ||
| 302 | F | 32.4 | Very low | 40.8 | Very low | 124 Ų | 124 | 77.2 Ų | 77.2 | 54% | 0.544 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -69.1 | 73.8 | 153.5 | -89 | -88.3 | 0 | 0 | 0 | 105.8 | K300 R304 Q325 | K300-F302 PolarHBondContact O-N 2.86Å; F302-R304 VanDerWaalsContact C-N 3.33Å; F302-Q325 HydrophobicContact CB-CB 4.46Å; F302-Q325 WeakPolarHBondContact O-CB 3.36Å; F302-Q325 PolarHBondContact O-OE1 2.78Å |
| 303 | C | 35.4 | Very low | 41.5 | Very low | 38 Ų | 38 | 77.4 Ų | 77.4 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | trans | -112.2 | 48 | 167.6 | -72.1 | 0 | 0 | 0 | 0 | 103.5 | C301 Y305 L379 | C301-C303 HydrophobicContact CB-CB 3.65Å; C301-C303 WeakPolarHBondContact CB-SG 3.32Å; C301-C303 PolarHBondContact O-N 3.3Å; C301-C303 VanDerWaalsContact SG-CA 3.58Å; C301-C303 WeakPolarHBondContact SG-CB 3.3Å; C301-C303 PolarHBondContact SG-N 3.39Å; C301-C303 CovalentContact SG-SG 2.03Å; C301-C303 PolarHBondContact SG-SG 2.72Å; C303-Y305 PolarHBondContact O-N 2.89Å; C303-L379 PolarHBondContact SG-O 3.07Å | ||
| 304 | R | 37.7 | Very low | 42.3 | Very low | 149 Ų | 149 | 77 Ų | 77 | 56% | 0.562 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -76.6 | 78.2 | 165.6 | -83 | -174.5 | 169 | -167.3 | -2.8 | 105.5 | F302 Q325 D576 | F302-R304 VanDerWaalsContact C-N 3.33Å; R304-Q325 VanDerWaalsContact N-OE1 3.16Å; R304-Q325 PolarHBondContact O-NE2 3.49Å; R304-D576 IonicContact NH1-OD2 3.53Å |
| 305 | Y | 44.3 | Very low | 43.4 | Very low | 197 Ų | 197 | 75 Ų | 75 | 77% | 0.773 | 35% | 0.353 | S | S | * | . | trans | 48.1 | 98.2 | 176.4 | -61.4 | -89.5 | 0 | 0 | 0 | 113.5 | C303 N307 | C303-Y305 PolarHBondContact O-N 2.89Å; Y305-N307 PolarHBondContact O-N 2.99Å | ||
| 306 | I | 51 | Low | 44.8 | Very low | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | trans | -63.4 | 110.2 | 154.2 | -55.6 | -174.8 | 0 | 0 | 0 | 104.9 | L308 W322 F327 Y370 V372 S382 | I306-L308 PolarHBondContact O-N 2.77Å; I306-W322 HydrophobicContact CG2-CB 4.01Å; I306-F327 HydrophobicContact CD1-CE2 3.85Å; I306-F327 HydrophobicContact CD1-CZ 3.67Å; I306-F327 HydrophobicContact CG1-CE2 4.45Å; I306-F327 HydrophobicContact CG1-CZ 4.17Å; I306-Y370 HydrophobicContact CD1-CD1 3.83Å; I306-Y370 HydrophobicContact CD1-CE1 3.61Å; I306-Y370 HydrophobicContact CG2-CD1 3.84Å; I306-Y370 HydrophobicContact CG2-CE1 4.06Å; I306-V372 HydrophobicContact CD1-CG2 3.44Å; I306-V372 VanDerWaalsContact CD1-CG2 3.44Å; I306-S382 WeakPolarHBondContact O-CB 3.21Å; I306-S382 PolarHBondContact O-OG 3.3Å | ||
| 307 | N | 56.2 | Low | 46.2 | Very low | 97 Ų | 97 | 69 Ų | 69 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | trans | -79.9 | 113.3 | 164.4 | -86.6 | 2.6 | 0 | 0 | 0 | 106.5 | Y305 W322 T323 | Y305-N307 PolarHBondContact O-N 2.99Å; N307-W322 WeakPolarHBondContact O-CA 3.33Å; N307-T323 PolarHBondContact N-OG1 2.89Å; N307-T323 PolarHBondContact O-N 2.88Å; N307-T323 PolarHBondContact O-OG1 2.96Å | ||
| 308 | L | 56.1 | Low | 47.5 | Very low | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 129 | 158 | 178 | 69.3 | 0 | 0 | 0 | 107 | I306 L320 W322 L335 F368 S382 | I306-L308 PolarHBondContact O-N 2.77Å; L308-L320 HydrophobicContact CD1-CB 4.39Å; L308-L320 HydrophobicContact CD1-CD2 4.44Å; L308-W322 HydrophobicContact CD1-CB 4.22Å; L308-W322 HydrophobicContact CD1-CE3 4.06Å; L308-L335 HydrophobicContact CD1-CD1 3.81Å; L308-L335 HydrophobicContact CD2-CD1 4.24Å; L308-F368 HydrophobicContact CD2-CB 3.84Å; L308-F368 WeakPolarHBondContact CD2-O 3.26Å; L308-S382 PolarHBondContact N-OG 3.08Å |
| 309 | H | 60.1 | Low | 49.1 | Very low | 60 Ų | 60 | 64.5 Ų | 64.5 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.8 | 173.6 | 53.6 | -96 | 0 | 0 | 0 | 109.9 | Q321 | H309-Q321 PolarHBondContact N-O 3.12Å; H309-Q321 PolarHBondContact NE2-OE1 3.25Å; H309-Q321 PolarHBondContact O-N 3.46Å |
| 310 | G | 50.5 | Low | 50.6 | Low | 9 Ų | 9 | 60.2 Ų | 60.2 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 162.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I319 Y384 | G310-I319 CarbonylContact C-O 3.58Å; G310-I319 VanDerWaalsContact CA-O 3.3Å; G310-I319 WeakPolarHBondContact CA-O 3.32Å; G310-Y384 VanDerWaalsContact CA-CE1 3.41Å; G310-Y384 VanDerWaalsContact N-CZ 3.34Å; G310-Y384 PolarHBondContact O-OH 2.8Å |
| 311 | K | 56.9 | Low | 51.9 | Low | 47 Ų | 47 | 55.9 Ų | 55.9 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 131.4 | 171.7 | -168.8 | -170.6 | 176.1 | -170.1 | 0 | 110 | I313 I319 M436 L438 | K311-I313 PolarHBondContact O-N 2.96Å; K311-I319 PolarHBondContact N-O 3.03Å; K311-I319 PolarHBondContact O-N 2.68Å; K311-M436 WeakPolarHBondContact CE-SD 3.45Å; K311-M436 PolarHBondContact NZ-O 3.17Å; K311-L438 HydrophobicContact CD-CD1 4Å |
| 312 | Q | 53 | Low | 53.5 | Low | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.4 | 163.1 | -179 | 176.3 | -10.2 | 0 | 0 | 108.7 | T314 D315 Y388 I389 F393 | Q312-T314 WeakPolarHBondContact CG-O 3.2Å; Q312-T314 PolarHBondContact NE2-O 2.87Å; Q312-D315 PolarHBondContact NE2-OD1 3.09Å; Q312-Y388 HydrophobicContact CG-CD2 4.01Å; Q312-Y388 HydrophobicContact CG-CE2 3.77Å; Q312-Y388 VanDerWaalsContact NE2-CE2 3.32Å; Q312-I389 PolarHBondContact NE2-O 2.67Å; Q312-I389 PolarHBondContact OE1-O 2.7Å; Q312-F393 HydrophobicContact CG-CE2 4.47Å |
| 313 | I | 48.1 | Very low | 54.6 | Low | 78 Ų | 78 | 51.2 Ų | 51.2 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -32.4 | -178.6 | -55.8 | -158.9 | 0 | 0 | 0 | 111.4 | K311 E317 I319 F393 | K311-I313 PolarHBondContact O-N 2.96Å; I313-E317 PolarHBondContact N-O 3.17Å; I313-E317 VanDerWaalsContact N-O 3.09Å; I313-I319 HydrophobicContact CD1-CB 3.8Å; I313-I319 HydrophobicContact CD1-CD1 3.59Å; I313-I319 HydrophobicContact CD1-CG1 3.61Å; I313-I319 HydrophobicContact CG1-CB 4.27Å; I313-I319 HydrophobicContact CG1-CG1 4.09Å; I313-F393 WeakPolarHBondContact O-CZ 3.5Å |
| 314 | T | 53.3 | Low | 55.5 | Low | 51 Ų | 51 | 51 Ų | 51 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 169.9 | -178.8 | 52.7 | 0 | 0 | 0 | 0 | 109.4 | Q312 G316 E317 | Q312-T314 WeakPolarHBondContact CG-O 3.2Å; Q312-T314 PolarHBondContact NE2-O 2.87Å; T314-G316 VanDerWaalsContact C-N 3.3Å; T314-G316 PolarHBondContact O-N 2.81Å; T314-G316 VanDerWaalsContact O-N 3.12Å; T314-E317 VanDerWaalsContact OG1-CB 3.26Å; T314-E317 WeakPolarHBondContact OG1-CB 3.19Å; T314-E317 WeakPolarHBondContact OG1-CG 3.4Å; T314-E317 PolarHBondContact OG1-N 2.81Å; T314-E317 PolarHBondContact OG1-OE2 3.13Å |
| 315 | D | 56.5 | Low | 56 | Low | 57 Ų | 57 | 46.3 Ų | 46.3 | 31% | 0.305 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 88.1 | 161.9 | -65.4 | -48.7 | 0 | 0 | 0 | 107.4 | Q312 Q391 M392 | Q312-D315 PolarHBondContact NE2-OD1 3.09Å; D315-Q391 WeakPolarHBondContact OD1-CA 3.44Å; D315-Q391 PolarHBondContact OD1-N 2.88Å; D315-M392 PolarHBondContact OD1-N 2.92Å |
| 316 | G | 63.5 | Low | 56 | Low | 18 Ų | 18 | 48.8 Ų | 48.8 | 19% | 0.186 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 142.4 | -13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T314 N358 T359 Y388 | T314-G316 VanDerWaalsContact C-N 3.3Å; T314-G316 PolarHBondContact O-N 2.81Å; T314-G316 VanDerWaalsContact O-N 3.12Å; G316-N358 CarbonylContact O-C 3.55Å; G316-N358 WeakPolarHBondContact O-CA 3.43Å; G316-T359 WeakPolarHBondContact CA-OG1 3.13Å; G316-T359 PolarHBondContact O-N 3.16Å; G316-T359 PolarHBondContact O-OG1 2.9Å; G316-Y388 PolarHBondContact N-OH 2.85Å |
| 317 | E | 61.8 | Low | 56 | Low | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.1 | -176.6 | -54.3 | 168.1 | 117.2 | 0 | 0 | 113.9 | I313 T314 T356 | I313-E317 PolarHBondContact N-O 3.17Å; I313-E317 VanDerWaalsContact N-O 3.09Å; T314-E317 VanDerWaalsContact OG1-CB 3.26Å; T314-E317 WeakPolarHBondContact OG1-CB 3.19Å; T314-E317 WeakPolarHBondContact OG1-CG 3.4Å; T314-E317 PolarHBondContact OG1-N 2.81Å; T314-E317 PolarHBondContact OG1-OE2 3.13Å; E317-T356 HydrophobicContact CB-CG2 4.08Å; E317-T356 HydrophobicContact CG-CG2 4.26Å |
| 318 | I | 60.2 | Low | 55.4 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.7 | 162.9 | -62 | 161.9 | 0 | 0 | 0 | 108 | L320 V357 T359 Y366 F368 L386 Y388 | I318-L320 HydrophobicContact CG2-CD2 4.37Å; I318-L320 HydrophobicContact CG2-CG 4.25Å; I318-V357 PolarHBondContact N-O 2.89Å; I318-V357 PolarHBondContact O-N 3.14Å; I318-T359 HydrophobicContact CB-CG2 4.43Å; I318-T359 HydrophobicContact CD1-CG2 3.37Å; I318-T359 HydrophobicContact CG1-CG2 3.58Å; I318-Y366 HydrophobicContact CD1-CD1 4Å; I318-Y366 HydrophobicContact CD1-CD2 3.91Å; I318-Y366 HydrophobicContact CD1-CE1 4.15Å; I318-Y366 HydrophobicContact CD1-CE2 4.08Å; I318-Y366 HydrophobicContact CD1-CG 3.9Å; I318-F368 HydrophobicContact CD1-CE2 4.35Å; I318-F368 HydrophobicContact CD1-CZ 4.07Å; I318-F368 HydrophobicContact CG2-CE2 4.38Å; I318-F368 HydrophobicContact CG2-CZ 4.39Å; I318-L386 HydrophobicContact CB-CD2 4.37Å; I318-L386 HydrophobicContact CD1-CD2 3.74Å; I318-L386 HydrophobicContact CG1-CD2 3.7Å; I318-L386 HydrophobicContact CG2-CD2 3.71Å; I318-Y388 HydrophobicContact CD1-CD2 4.33Å; I318-Y388 HydrophobicContact CG1-CD2 4.17Å |
| 319 | I | 63.6 | Low | 54.9 | Low | 42 Ų | 42 | 59.7 Ų | 59.7 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.6 | 163.9 | -59.8 | -159.7 | 0 | 0 | 0 | 109.2 | G310 K311 I313 Q321 L355 T356 | G310-I319 CarbonylContact C-O 3.58Å; G310-I319 VanDerWaalsContact CA-O 3.3Å; G310-I319 WeakPolarHBondContact CA-O 3.32Å; K311-I319 PolarHBondContact N-O 3.03Å; K311-I319 PolarHBondContact O-N 2.68Å; I313-I319 HydrophobicContact CD1-CB 3.8Å; I313-I319 HydrophobicContact CD1-CD1 3.59Å; I313-I319 HydrophobicContact CD1-CG1 3.61Å; I313-I319 HydrophobicContact CG1-CB 4.27Å; I313-I319 HydrophobicContact CG1-CG1 4.09Å; I319-Q321 HydrophobicContact CG2-CG 4.12Å; I319-L355 WeakPolarHBondContact CA-O 3.46Å; I319-T356 HydrophobicContact CG1-CG2 4.18Å |
| 320 | L | 60.2 | Low | 54.7 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.3 | 168.6 | -64.2 | 160.5 | 0 | 0 | 0 | 108.9 | L308 I318 W322 L335 T354 L355 V357 F368 Y384 | L308-L320 HydrophobicContact CD1-CB 4.39Å; L308-L320 HydrophobicContact CD1-CD2 4.44Å; I318-L320 HydrophobicContact CG2-CD2 4.37Å; I318-L320 HydrophobicContact CG2-CG 4.25Å; L320-W322 HydrophobicContact CB-CZ3 4.43Å; L320-L335 HydrophobicContact CD1-CD1 3.85Å; L320-L335 HydrophobicContact CD1-CD2 3.93Å; L320-T354 CarbonylContact O-C 3.53Å; L320-T354 WeakPolarHBondContact O-CA 3.46Å; L320-L355 HydrophobicContact CB-CB 4.45Å; L320-L355 HydrophobicContact CD1-CD2 4.42Å; L320-L355 PolarHBondContact N-O 3.06Å; L320-L355 PolarHBondContact O-N 2.96Å; L320-V357 HydrophobicContact CD1-CG2 3.8Å; L320-F368 HydrophobicContact CD1-CD1 3.61Å; L320-F368 HydrophobicContact CD1-CD2 4.41Å; L320-F368 HydrophobicContact CD1-CE1 3.61Å; L320-F368 HydrophobicContact CD1-CE2 4.39Å; L320-F368 HydrophobicContact CD1-CG 4Å; L320-F368 HydrophobicContact CD1-CZ 4Å; L320-F368 HydrophobicContact CD2-CB 4.32Å; L320-F368 HydrophobicContact CD2-CD1 4.32Å; L320-F368 HydrophobicContact CD2-CD2 3.64Å; L320-F368 HydrophobicContact CD2-CE1 4.5Å; L320-F368 HydrophobicContact CD2-CE2 3.84Å; L320-F368 HydrophobicContact CD2-CG 3.86Å; L320-F368 HydrophobicContact CD2-CZ 4.25Å; L320-F368 HydrophobicContact CG-CZ 4.47Å; L320-Y384 HydrophobicContact CD2-CD1 4.3Å |
| 321 | Q | 59.2 | Low | 55.4 | Low | 65 Ų | 65 | 63 Ų | 63 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.5 | 172.8 | -49.3 | -167.5 | -45.9 | 0 | 0 | 110.1 | H309 I319 H353 T354 | H309-Q321 PolarHBondContact N-O 3.12Å; H309-Q321 PolarHBondContact NE2-OE1 3.25Å; H309-Q321 PolarHBondContact O-N 3.46Å; I319-Q321 HydrophobicContact CG2-CG 4.12Å; Q321-H353 VanDerWaalsContact CA-O 3.29Å; Q321-H353 WeakPolarHBondContact CA-O 3.38Å; Q321-T354 HydrophobicContact CB-CG2 4.35Å; Q321-T354 HydrophobicContact CG-CG2 3.9Å |
| 322 | W | 64.3 | Low | 56 | Low | 8 Ų | 8 | 63.3 Ų | 63.3 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 164.4 | 177 | 57.4 | 88.2 | 0 | 0 | 0 | 112.1 | I306 N307 L308 L320 L335 L348 E352 H353 L355 Y370 | I306-W322 HydrophobicContact CG2-CB 4.01Å; N307-W322 WeakPolarHBondContact O-CA 3.33Å; L308-W322 HydrophobicContact CD1-CB 4.22Å; L308-W322 HydrophobicContact CD1-CE3 4.06Å; L320-W322 HydrophobicContact CB-CZ3 4.43Å; W322-L335 HydrophobicContact CZ3-CD1 4.41Å; W322-L348 HydrophobicContact CH2-CD1 3.75Å; W322-L348 HydrophobicContact CH2-CD2 4Å; W322-L348 HydrophobicContact CH2-CG 4.46Å; W322-L348 HydrophobicContact CZ2-CD1 3.73Å; W322-L348 HydrophobicContact CZ2-CD2 4.35Å; W322-L348 HydrophobicContact CZ2-CG 4.46Å; W322-L348 HydrophobicContact CZ3-CD1 4.34Å; W322-E352 HydrophobicContact CZ2-CB 4.15Å; W322-E352 PolarHBondContact NE1-O 3.15Å; W322-H353 PolarHBondContact N-O 3.14Å; W322-L355 HydrophobicContact CH2-CB 3.74Å; W322-L355 HydrophobicContact CZ3-CB 3.65Å; W322-Y370 HydrophobicContact CB-CD2 4.44Å; W322-Y370 HydrophobicContact CB-CE2 4.39Å; W322-Y370 AromaticContact CD1-CE2 3.56Å; W322-Y370 AromaticContact CD1-CZ 3.41Å; W322-Y370 VanDerWaalsContact CD1-CZ 3.41Å; W322-Y370 VanDerWaalsContact CD1-OH 3.29Å; W322-Y370 AromaticContact CD2-CD2 3.95Å; W322-Y370 HydrophobicContact CD2-CD2 3.95Å; W322-Y370 AromaticContact CD2-CE2 3.5Å; W322-Y370 HydrophobicContact CD2-CE2 3.5Å; W322-Y370 VanDerWaalsContact CD2-CE2 3.5Å; W322-Y370 AromaticContact CE2-CE2 3.53Å; W322-Y370 HydrophobicContact CE3-CD2 4.24Å; W322-Y370 HydrophobicContact CE3-CE2 4.15Å; W322-Y370 HydrophobicContact CG-CD2 4.01Å; W322-Y370 HydrophobicContact CG-CE1 4.45Å; W322-Y370 AromaticContact CG-CE2 3.56Å; W322-Y370 HydrophobicContact CG-CE2 3.56Å; W322-Y370 AromaticContact CG-CZ 3.82Å; W322-Y370 HydrophobicContact CZ2-CE2 4.21Å; W322-Y370 AromaticContact NE1-CE2 3.55Å; W322-Y370 AromaticContact NE1-CZ 3.58Å; W322-Y370 PolarHBondContact NE1-OH 2.88Å; W322-Y370 VanDerWaalsContact NE1-OH 3.15Å |
| 323 | T | 54.1 | Low | 57.1 | Low | 62 Ų | 62 | 63.3 Ų | 63.3 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | trans | -108.5 | 97.2 | -179.2 | 35.7 | 0 | 0 | 0 | 0 | 110.9 | N307 Q325 | N307-T323 PolarHBondContact N-OG1 2.89Å; N307-T323 PolarHBondContact O-N 2.88Å; N307-T323 PolarHBondContact O-OG1 2.96Å; T323-Q325 PolarHBondContact O-N 3.27Å | ||
| 324 | N | 54 | Low | 58.7 | Low | 34 Ų | 34 | 62.5 Ų | 62.5 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | trans | -72.3 | 108.5 | 171.9 | -87.8 | -9.6 | 0 | 0 | 0 | 110.8 | P350 E352 Y370 | N324-P350 PolarHBondContact ND2-O 2.91Å; N324-E352 PolarHBondContact ND2-O 2.7Å; N324-Y370 PolarHBondContact OD1-OH 2.92Å | ||
| 325 | Q | 49.1 | Very low | 59.9 | Low | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | trans | -71.6 | 161.8 | 160.2 | -73.1 | 173.1 | 35.6 | 0 | 0 | 108.6 | F302 R304 T323 F327 | F302-Q325 HydrophobicContact CB-CB 4.46Å; F302-Q325 WeakPolarHBondContact O-CB 3.36Å; F302-Q325 PolarHBondContact O-OE1 2.78Å; R304-Q325 VanDerWaalsContact N-OE1 3.16Å; R304-Q325 PolarHBondContact O-NE2 3.49Å; T323-Q325 PolarHBondContact O-N 3.27Å; Q325-F327 VanDerWaalsContact C-N 3.35Å; Q325-F327 HydrophobicContact CB-CE2 4.37Å; Q325-F327 WeakPolarHBondContact O-CD2 3.43Å; Q325-F327 WeakPolarHBondContact O-CE2 3.32Å; Q325-F327 PolarHBondContact O-N 2.99Å | ||
| 326 | R | 44.5 | Very low | 61.1 | Low | 249 Ų | 249 | 58 Ų | 58 | 94% | 0.94 | 28% | 0.279 | S | S | * | . | trans | -68.6 | 91.2 | -178.8 | -76.1 | -175.3 | 176.9 | 178.3 | -1.4 | 110.7 | ||||
| 327 | F | 50.1 | Low | 62 | Low | 33 Ų | 33 | 57.6 Ų | 57.6 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | trans | -75.8 | 160.7 | 168.2 | -66.2 | -79.2 | 0 | 0 | 0 | 110.8 | C301 I306 Q325 F333 V372 L379 | C301-F327 VanDerWaalsContact SG-CE1 3.52Å; I306-F327 HydrophobicContact CD1-CE2 3.85Å; I306-F327 HydrophobicContact CD1-CZ 3.67Å; I306-F327 HydrophobicContact CG1-CE2 4.45Å; I306-F327 HydrophobicContact CG1-CZ 4.17Å; Q325-F327 VanDerWaalsContact C-N 3.35Å; Q325-F327 HydrophobicContact CB-CE2 4.37Å; Q325-F327 WeakPolarHBondContact O-CD2 3.43Å; Q325-F327 WeakPolarHBondContact O-CE2 3.32Å; Q325-F327 PolarHBondContact O-N 2.99Å; F327-F333 HydrophobicContact CB-CE1 4.28Å; F327-F333 HydrophobicContact CB-CZ 3.9Å; F327-F333 AromaticContact CD2-CE1 3.66Å; F327-F333 HydrophobicContact CD2-CE1 3.66Å; F327-F333 HydrophobicContact CD2-CZ 4.12Å; F327-F333 HydrophobicContact CE2-CE1 4.38Å; F327-F333 HydrophobicContact CG-CE1 4.13Å; F327-F333 HydrophobicContact CG-CZ 4.26Å; F327-V372 HydrophobicContact CD1-CG1 3.79Å; F327-V372 HydrophobicContact CD2-CG1 4.26Å; F327-V372 HydrophobicContact CD2-CG2 4.47Å; F327-V372 HydrophobicContact CE1-CB 4.31Å; F327-V372 HydrophobicContact CE1-CG1 4.01Å; F327-V372 HydrophobicContact CE1-CG2 4.41Å; F327-V372 HydrophobicContact CE2-CG1 4.49Å; F327-V372 HydrophobicContact CE2-CG2 4.04Å; F327-V372 HydrophobicContact CG-CG1 3.94Å; F327-V372 HydrophobicContact CZ-CB 4.43Å; F327-V372 HydrophobicContact CZ-CG1 4.4Å; F327-V372 HydrophobicContact CZ-CG2 4.04Å; F327-L379 HydrophobicContact CD1-CD1 4.29Å; F327-L379 HydrophobicContact CE1-CB 4.49Å | ||
| 328 | Y | 44.6 | Very low | 63 | Low | 174 Ų | 174 | 57.3 Ų | 57.3 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | trans | -74.9 | 155.3 | -179.3 | -69.7 | -81.8 | 0 | 0 | 0 | 110.7 | R330 S331 | Y328-R330 PolarHBondContact O-N 3.48Å; Y328-S331 PolarHBondContact O-N 2.76Å; Y328-S331 PolarHBondContact O-OG 3.47Å | ||
| 329 | S | 46.3 | Very low | 64 | Low | 131 Ų | 131 | 59.1 Ų | 59.1 | 92% | 0.916 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 21.5 | -169.2 | 66.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 330 | R | 55.9 | Low | 64.6 | Low | 128 Ų | 128 | 62.9 Ų | 62.9 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 9.3 | 175.1 | -70.3 | -169.4 | 174.6 | -163.8 | -0 | 112.7 | I197 Y328 D375 | I197-R330 PolarHBondContact O-NH1 2.81Å; Y328-R330 PolarHBondContact O-N 3.48Å; R330-D375 IonicContact NH1-OD2 3.66Å |
| 331 | S | 64.4 | Low | 65.2 | Low | 12 Ų | 12 | 72.1 Ų | 72.1 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | trans | -75.6 | 134.9 | 172.7 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | Y328 F333 Q373 L379 | Y328-S331 PolarHBondContact O-N 2.76Å; Y328-S331 PolarHBondContact O-OG 3.47Å; S331-F333 WeakPolarHBondContact O-CD2 3.32Å; S331-F333 WeakPolarHBondContact O-CE2 3.32Å; S331-Q373 CarbonylContact C-O 3.57Å; S331-Q373 VanDerWaalsContact CA-O 3.24Å; S331-Q373 WeakPolarHBondContact CA-O 3.22Å; S331-L379 VanDerWaalsContact OG-CD1 3.25Å; S331-L379 WeakPolarHBondContact OG-CD1 3.36Å | ||
| 332 | S | 69.3 | Low | 66 | Low | 52 Ų | 52 | 74.9 Ų | 74.9 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 147.4 | 167.1 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | Y334 Q373 | S332-Y334 VanDerWaalsContact CB-CE1 3.48Å; S332-Y334 VanDerWaalsContact CB-CZ 3.49Å; S332-Y334 VanDerWaalsContact CB-OH 3.29Å; S332-Y334 WeakPolarHBondContact CB-OH 3.42Å; S332-Q373 PolarHBondContact N-O 3.4Å; S332-Q373 PolarHBondContact O-N 3.45Å |
| 333 | F | 75.5 | Confident | 66.7 | Low | 10 Ų | 10 | 79 Ų | 79 | 4% | 0.044 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126 | -175.9 | -57.6 | -96.2 | 0 | 0 | 0 | 108.4 | F327 S331 L348 P350 Y370 V372 | F327-F333 HydrophobicContact CB-CE1 4.28Å; F327-F333 HydrophobicContact CB-CZ 3.9Å; F327-F333 AromaticContact CD2-CE1 3.66Å; F327-F333 HydrophobicContact CD2-CE1 3.66Å; F327-F333 HydrophobicContact CD2-CZ 4.12Å; F327-F333 HydrophobicContact CE2-CE1 4.38Å; F327-F333 HydrophobicContact CG-CE1 4.13Å; F327-F333 HydrophobicContact CG-CZ 4.26Å; S331-F333 WeakPolarHBondContact O-CD2 3.32Å; S331-F333 WeakPolarHBondContact O-CE2 3.32Å; F333-L348 HydrophobicContact CB-CB 4.12Å; F333-L348 PolarHBondContact O-N 3.4Å; F333-P350 HydrophobicContact CD2-CB 4.01Å; F333-P350 HydrophobicContact CD2-CG 3.8Å; F333-P350 HydrophobicContact CE2-CB 3.53Å; F333-P350 HydrophobicContact CE2-CG 3.59Å; F333-P350 HydrophobicContact CZ-CB 4.15Å; F333-Y370 VanDerWaalsContact CD1-OH 3.28Å; F333-Y370 WeakPolarHBondContact CD1-OH 3.47Å; F333-V372 HydrophobicContact CD1-CB 4.35Å; F333-V372 HydrophobicContact CD1-CG1 3.92Å; F333-V372 HydrophobicContact CD1-CG2 3.72Å; F333-V372 HydrophobicContact CE1-CB 4.46Å; F333-V372 HydrophobicContact CE1-CG1 3.69Å; F333-V372 HydrophobicContact CE1-CG2 3.93Å; F333-V372 HydrophobicContact CZ-CG1 4.26Å |
| 334 | Y | 81.5 | Confident | 68.1 | Low | 60 Ų | 60 | 78.7 Ų | 78.7 | 24% | 0.235 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.5 | 177.9 | -13.2 | -89.2 | 0 | 0 | 0 | 110.6 | S332 Y346 L347 V371 Q373 | S332-Y334 VanDerWaalsContact CB-CE1 3.48Å; S332-Y334 VanDerWaalsContact CB-CZ 3.49Å; S332-Y334 VanDerWaalsContact CB-OH 3.29Å; S332-Y334 WeakPolarHBondContact CB-OH 3.42Å; Y334-Y346 CarbonylContact C-O 3.51Å; Y334-Y346 WeakPolarHBondContact CA-O 3.18Å; Y334-L347 HydrophobicContact CD1-CD1 3.68Å; Y334-L347 HydrophobicContact CE1-CD1 4.02Å; Y334-V371 HydrophobicContact CD2-CB 4Å; Y334-V371 HydrophobicContact CD2-CG1 3.97Å; Y334-V371 HydrophobicContact CE2-CG1 4.17Å; Y334-V371 PolarHBondContact N-O 2.74Å; Y334-V371 PolarHBondContact O-N 2.99Å; Y334-Q373 HydrophobicContact CE2-CB 3.59Å; Y334-Q373 HydrophobicContact CE2-CG 4.42Å; Y334-Q373 PolarHBondContact OH-OE1 3.44Å |
| 335 | L | 80.1 | Confident | 69.4 | Low | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124 | 166.8 | -177.2 | 146.9 | 0 | 0 | 0 | 108.3 | L308 L320 W322 Y346 L348 L355 F368 D369 Y370 | L308-L335 HydrophobicContact CD1-CD1 3.81Å; L308-L335 HydrophobicContact CD2-CD1 4.24Å; L320-L335 HydrophobicContact CD1-CD1 3.85Å; L320-L335 HydrophobicContact CD1-CD2 3.93Å; W322-L335 HydrophobicContact CZ3-CD1 4.41Å; L335-Y346 HydrophobicContact CD2-CD2 3.94Å; L335-Y346 PolarHBondContact N-O 3.18Å; L335-Y346 WeakPolarHBondContact O-CD2 3.44Å; L335-Y346 PolarHBondContact O-N 3.27Å; L335-L348 HydrophobicContact CB-CD1 3.79Å; L335-L355 HydrophobicContact CD2-CD2 4.13Å; L335-F368 HydrophobicContact CD2-CD1 3.95Å; L335-D369 WeakPolarHBondContact CA-O 3.49Å; L335-Y370 HydrophobicContact CB-CD2 4.28Å; L335-Y370 HydrophobicContact CD1-CD2 4.21Å |
| 336 | T | 80.6 | Confident | 70.9 | Confident | 14 Ų | 14 | 85.9 Ų | 85.9 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 140.7 | 166.3 | 30.7 | 0 | 0 | 0 | 0 | 110.1 | E343 S344 Y345 F368 D369 | T336-E343 HydrophobicContact CG2-CG 4.15Å; T336-S344 CarbonylContact C-O 3.58Å; T336-S344 VanDerWaalsContact CA-O 3.31Å; T336-S344 WeakPolarHBondContact CA-O 3.38Å; T336-Y345 HydrophobicContact CG2-CD1 3.29Å; T336-Y345 HydrophobicContact CG2-CD2 3.91Å; T336-Y345 HydrophobicContact CG2-CE1 3.13Å; T336-Y345 HydrophobicContact CG2-CE2 3.77Å; T336-Y345 HydrophobicContact CG2-CG 3.68Å; T336-F368 CarbonylContact O-C 3.57Å; T336-F368 VanDerWaalsContact O-CA 3.29Å; T336-F368 WeakPolarHBondContact O-CA 3.43Å; T336-D369 PolarHBondContact N-O 3.08Å; T336-D369 PolarHBondContact O-N 2.87Å; T336-D369 WeakPolarHBondContact OG1-CB 3.43Å; T336-D369 PolarHBondContact OG1-O 3.35Å |
| 337 | Q | 81.9 | Confident | 72.6 | Confident | 9 Ų | 9 | 80.7 Ų | 80.7 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.2 | 170.7 | 166 | -176.2 | -12.3 | 0 | 0 | 107.5 | I339 E343 S344 Y346 Y366 E367 F368 | Q337-I339 HydrophobicContact CG-CG1 4.45Å; Q337-E343 CarbonylContact O-C 3.59Å; Q337-E343 WeakPolarHBondContact O-CA 3.19Å; Q337-S344 PolarHBondContact N-O 2.9Å; Q337-S344 PolarHBondContact O-N 2.88Å; Q337-Y346 HydrophobicContact CB-CE2 3.92Å; Q337-Y346 PolarHBondContact OE1-OH 2.94Å; Q337-Y366 HydrophobicContact CG-CD1 4.27Å; Q337-E367 CarbonylContact C-O 3.59Å; Q337-E367 WeakPolarHBondContact CA-O 3.33Å; Q337-F368 HydrophobicContact CB-CD1 3.76Å; Q337-F368 HydrophobicContact CB-CE1 3.78Å; Q337-F368 HydrophobicContact CG-CD1 3.99Å; Q337-F368 HydrophobicContact CG-CE1 3.57Å |
| 338 | K | 83.5 | Confident | 73.8 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.6 | 177.4 | 179.5 | 172.6 | 159.9 | -121.1 | 0 | 110.6 | D342 E343 E367 | K338-D342 WeakPolarHBondContact CA-O 3.27Å; K338-E343 HydrophobicContact CB-CG 4.45Å; K338-E367 HydrophobicContact CB-CB 4.3Å; K338-E367 PolarHBondContact N-O 3.26Å; K338-E367 IonicContact NZ-OE2 2.71Å; K338-E367 PolarHBondContact NZ-OE2 3.22Å; K338-E367 PolarHBondContact O-N 2.8Å |
| 339 | I | 80.8 | Confident | 75.2 | Confident | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.195 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.5 | 174.1 | -53.2 | 177.5 | 0 | 0 | 0 | 106.5 | Q337 K341 D342 L364 Y366 | Q337-I339 HydrophobicContact CG-CG1 4.45Å; I339-K341 PolarHBondContact O-N 2.78Å; I339-D342 PolarHBondContact N-O 3.2Å; I339-D342 PolarHBondContact O-N 2.85Å; I339-L364 HydrophobicContact CG2-CB 4.42Å; I339-L364 HydrophobicContact CG2-CD1 4Å; I339-L364 HydrophobicContact CG2-CD2 3.98Å; I339-L364 HydrophobicContact CG2-CG 4.37Å; I339-Y366 HydrophobicContact CD1-CD1 3.97Å; I339-Y366 HydrophobicContact CD1-CE1 3.46Å; I339-Y366 VanDerWaalsContact CD1-CE1 3.46Å; I339-Y366 HydrophobicContact CG1-CD1 3.92Å; I339-Y366 HydrophobicContact CG1-CE1 3.96Å; I339-Y366 HydrophobicContact CG1-CG 4.49Å |
| 340 | N | 77.7 | Confident | 76 | Confident | 121 Ų | 121 | 72 Ų | 72 | 65% | 0.647 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -97 | -175.3 | -58.1 | -42.9 | 0 | 0 | 0 | 113 | ||
| 341 | K | 72 | Confident | 76.5 | Confident | 194 Ų | 194 | 74.2 Ų | 74.2 | 84% | 0.843 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -15.3 | 178.5 | -70 | -175.5 | 178.6 | 178.3 | 0 | 113.7 | I339 | I339-K341 PolarHBondContact O-N 2.78Š|
| 342 | D | 75.2 | Confident | 76.6 | Confident | 122 Ų | 122 | 78 Ų | 78 | 65% | 0.652 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.2 | -175 | -57.1 | -45.2 | 0 | 0 | 0 | 109.5 | K338 I339 | K338-D342 WeakPolarHBondContact CA-O 3.27Å; I339-D342 PolarHBondContact N-O 3.2Å; I339-D342 PolarHBondContact O-N 2.85Å |
| 343 | E | 80.2 | Confident | 76.5 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122 | -174.7 | -169.9 | 172.4 | -130.4 | 0 | 0 | 110.6 | T336 Q337 K338 Y345 | T336-E343 HydrophobicContact CG2-CG 4.15Å; Q337-E343 CarbonylContact O-C 3.59Å; Q337-E343 WeakPolarHBondContact O-CA 3.19Å; K338-E343 HydrophobicContact CB-CG 4.45Å; E343-Y345 HydrophobicContact CG-CD2 4.47Å; E343-Y345 HydrophobicContact CG-CE2 3.83Å; E343-Y345 PolarHBondContact OE2-OH 2.95Å |
| 344 | S | 82.3 | Confident | 76 | Confident | 55 Ų | 55 | 80.7 Ų | 80.7 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 140.6 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 110 | T336 Q337 | T336-S344 CarbonylContact C-O 3.58Å; T336-S344 VanDerWaalsContact CA-O 3.31Å; T336-S344 WeakPolarHBondContact CA-O 3.38Å; Q337-S344 PolarHBondContact N-O 2.9Å; Q337-S344 PolarHBondContact O-N 2.88Å |
| 345 | Y | 82.2 | Confident | 75.5 | Confident | 163 Ų | 163 | 79.3 Ų | 79.3 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.6 | -177.5 | -74.9 | -105.4 | 0 | 0 | 0 | 111.3 | T336 E343 | T336-Y345 HydrophobicContact CG2-CD1 3.29Å; T336-Y345 HydrophobicContact CG2-CD2 3.91Å; T336-Y345 HydrophobicContact CG2-CE1 3.13Å; T336-Y345 HydrophobicContact CG2-CE2 3.77Å; T336-Y345 HydrophobicContact CG2-CG 3.68Å; E343-Y345 HydrophobicContact CG-CD2 4.47Å; E343-Y345 HydrophobicContact CG-CE2 3.83Å; E343-Y345 PolarHBondContact OE2-OH 2.95Å |
| 346 | Y | 80.2 | Confident | 75.3 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.8 | 173.3 | -59 | -85.7 | 0 | 0 | 0 | 109.9 | Y334 L335 Q337 L355 | Y334-Y346 CarbonylContact C-O 3.51Å; Y334-Y346 WeakPolarHBondContact CA-O 3.18Å; L335-Y346 HydrophobicContact CD2-CD2 3.94Å; L335-Y346 PolarHBondContact N-O 3.18Å; L335-Y346 WeakPolarHBondContact O-CD2 3.44Å; L335-Y346 PolarHBondContact O-N 3.27Å; Q337-Y346 HydrophobicContact CB-CE2 3.92Å; Q337-Y346 PolarHBondContact OE1-OH 2.94Å; Y346-L355 HydrophobicContact CD1-CD2 4.08Å; Y346-L355 HydrophobicContact CD2-CD2 3.95Å; Y346-L355 HydrophobicContact CE2-CD2 4.41Å; Y346-L355 HydrophobicContact CG-CD2 3.78Å |
| 347 | L | 80.3 | Confident | 74.9 | Confident | 140 Ų | 140 | 81.8 Ų | 81.8 | 73% | 0.733 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.1 | 167.8 | -176.7 | 68.7 | 0 | 0 | 0 | 108.6 | Y334 | Y334-L347 HydrophobicContact CD1-CD1 3.68Å; Y334-L347 HydrophobicContact CE1-CD1 4.02Å |
| 348 | L | 76.2 | Confident | 74.6 | Confident | 12 Ų | 12 | 87.4 Ų | 87.4 | 6% | 0.063 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.8 | -170.2 | -59.6 | 173.3 | 0 | 0 | 0 | 111.8 | W322 F333 L335 L355 Y370 | W322-L348 HydrophobicContact CH2-CD1 3.75Å; W322-L348 HydrophobicContact CH2-CD2 4Å; W322-L348 HydrophobicContact CH2-CG 4.46Å; W322-L348 HydrophobicContact CZ2-CD1 3.73Å; W322-L348 HydrophobicContact CZ2-CD2 4.35Å; W322-L348 HydrophobicContact CZ2-CG 4.46Å; W322-L348 HydrophobicContact CZ3-CD1 4.34Å; F333-L348 HydrophobicContact CB-CB 4.12Å; F333-L348 PolarHBondContact O-N 3.4Å; L335-L348 HydrophobicContact CB-CD1 3.79Å; L348-L355 HydrophobicContact CD2-CD1 4.37Å; L348-L355 HydrophobicContact CD2-CD2 4.46Å; L348-Y370 HydrophobicContact CD1-CD2 4.03Å; L348-Y370 HydrophobicContact CD1-CE2 3.51Å |
| 349 | D | 73.3 | Confident | 74.1 | Confident | 73 Ų | 73 | 85 Ų | 85 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | trans | -71.9 | 138.9 | 173 | -173.7 | -67.3 | 0 | 0 | 0 | 109.9 | K351 E352 | D349-K351 PolarHBondContact O-N 3.41Å; D349-K351 WeakPolarHBondContact OD1-CB 3.03Å; D349-K351 WeakPolarHBondContact OD1-CG 3.44Å; D349-K351 PolarHBondContact OD1-N 2.8Å; D349-E352 HydrophobicContact CB-CG 3.99Å; D349-E352 PolarHBondContact N-OE2 3Å; D349-E352 WeakPolarHBondContact O-CB 3.26Å; D349-E352 PolarHBondContact O-N 3.34Å | ||
| 350 | P | 63.2 | Low | 73.7 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -25.8 | 175.9 | -25.9 | 31.5 | 0 | 0 | 0 | 115.4 | N324 F333 | N324-P350 PolarHBondContact ND2-O 2.91Å; F333-P350 HydrophobicContact CD2-CB 4.01Å; F333-P350 HydrophobicContact CD2-CG 3.8Å; F333-P350 HydrophobicContact CE2-CB 3.53Å; F333-P350 HydrophobicContact CE2-CG 3.59Å; F333-P350 HydrophobicContact CZ-CB 4.15Å |
| 351 | K | 65.6 | Low | 73.1 | Confident | 174 Ų | 174 | 87.3 Ų | 87.3 | 76% | 0.757 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -14.3 | 178.8 | -58.9 | 168.8 | -175.6 | 164.5 | 0 | 113.4 | D349 H353 | D349-K351 PolarHBondContact O-N 3.41Å; D349-K351 WeakPolarHBondContact OD1-CB 3.03Å; D349-K351 WeakPolarHBondContact OD1-CG 3.44Å; D349-K351 PolarHBondContact OD1-N 2.8Å; K351-H353 PolarHBondContact O-CE1 3.34Å |
| 352 | E | 66.1 | Low | 73.3 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 43% | 0.425 | 43% | 0.428 | S | S | . | . | trans | -78.8 | 143.1 | 178.2 | -74 | 171.8 | 159.2 | 0 | 0 | 111.4 | W322 N324 D349 | W322-E352 HydrophobicContact CZ2-CB 4.15Å; W322-E352 PolarHBondContact NE1-O 3.15Å; N324-E352 PolarHBondContact ND2-O 2.7Å; D349-E352 HydrophobicContact CB-CG 3.99Å; D349-E352 PolarHBondContact N-OE2 3Å; D349-E352 WeakPolarHBondContact O-CB 3.26Å; D349-E352 PolarHBondContact O-N 3.34Å | ||
| 353 | H | 68.2 | Low | 73.1 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 32% | 0.315 | 42% | 0.415 | S | S | . | . | trans | -129.6 | 2.8 | -178.5 | -58.5 | -20.1 | 0 | 0 | 0 | 112 | Q321 W322 K351 | Q321-H353 VanDerWaalsContact CA-O 3.29Å; Q321-H353 WeakPolarHBondContact CA-O 3.38Å; W322-H353 PolarHBondContact N-O 3.14Å; K351-H353 PolarHBondContact O-CE1 3.34Å | ||
| 354 | T | 65.4 | Low | 73 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 140.2 | -172.4 | 58.9 | 0 | 0 | 0 | 0 | 111 | L320 Q321 T481 | L320-T354 CarbonylContact O-C 3.53Å; L320-T354 WeakPolarHBondContact O-CA 3.46Å; Q321-T354 HydrophobicContact CB-CG2 4.35Å; Q321-T354 HydrophobicContact CG-CG2 3.9Å; T354-T481 HydrophobicContact CG2-CG2 4.12Å |
| 355 | L | 71.4 | Confident | 72.8 | Confident | 32 Ų | 32 | 77 Ų | 77 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134 | 170.9 | 179.5 | 68.5 | 0 | 0 | 0 | 109 | I319 L320 W322 L335 Y346 L348 V357 | I319-L355 WeakPolarHBondContact CA-O 3.46Å; L320-L355 HydrophobicContact CB-CB 4.45Å; L320-L355 HydrophobicContact CD1-CD2 4.42Å; L320-L355 PolarHBondContact N-O 3.06Å; L320-L355 PolarHBondContact O-N 2.96Å; W322-L355 HydrophobicContact CH2-CB 3.74Å; W322-L355 HydrophobicContact CZ3-CB 3.65Å; L335-L355 HydrophobicContact CD2-CD2 4.13Å; Y346-L355 HydrophobicContact CD1-CD2 4.08Å; Y346-L355 HydrophobicContact CD2-CD2 3.95Å; Y346-L355 HydrophobicContact CE2-CD2 4.41Å; Y346-L355 HydrophobicContact CG-CD2 3.78Å; L348-L355 HydrophobicContact CD2-CD1 4.37Å; L348-L355 HydrophobicContact CD2-CD2 4.46Å; L355-V357 HydrophobicContact CD2-CG2 3.94Å; L355-V357 HydrophobicContact CG-CG2 4.11Å |
| 356 | T | 74.9 | Confident | 72.4 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.9 | 167.8 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | E317 I319 | E317-T356 HydrophobicContact CB-CG2 4.08Å; E317-T356 HydrophobicContact CG-CG2 4.26Å; I319-T356 HydrophobicContact CG1-CG2 4.18Å |
| 357 | V | 72.1 | Confident | 72.4 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.5 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | I318 L320 L355 F368 | I318-V357 PolarHBondContact N-O 2.89Å; I318-V357 PolarHBondContact O-N 3.14Å; L320-V357 HydrophobicContact CD1-CG2 3.8Å; L355-V357 HydrophobicContact CD2-CG2 3.94Å; L355-V357 HydrophobicContact CG-CG2 4.11Å; V357-F368 HydrophobicContact CG2-CE1 4.39Å |
| 358 | N | 75.5 | Confident | 72.3 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 67% | 0.674 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.9 | 174.1 | -64.8 | 2.1 | 0 | 0 | 0 | 109.9 | G316 | G316-N358 CarbonylContact O-C 3.55Å; G316-N358 WeakPolarHBondContact O-CA 3.43Å |
| 359 | T | 73 | Confident | 72.4 | Confident | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.129 | 33% | 0.334 | C | S | . | . | trans | -114.9 | 168.1 | -179.4 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | G316 I318 Y366 Y388 | G316-T359 WeakPolarHBondContact CA-OG1 3.13Å; G316-T359 PolarHBondContact O-N 3.16Å; G316-T359 PolarHBondContact O-OG1 2.9Å; I318-T359 HydrophobicContact CB-CG2 4.43Å; I318-T359 HydrophobicContact CD1-CG2 3.37Å; I318-T359 HydrophobicContact CG1-CG2 3.58Å; T359-Y366 WeakPolarHBondContact CB-OH 3.33Å; T359-Y366 HydrophobicContact CG2-CE1 4.07Å; T359-Y366 HydrophobicContact CG2-CE2 4.19Å; T359-Y366 WeakPolarHBondContact CG2-OH 3.33Å; T359-Y388 HydrophobicContact CG2-CD2 3.88Å; T359-Y388 HydrophobicContact CG2-CE2 4.02Å; T359-Y388 HydrophobicContact CG2-CG 4.28Å; T359-Y388 WeakPolarHBondContact OG1-CE2 3.29Å; T359-Y388 PolarHBondContact OG1-OH 2.95Å | ||
| 360 | T | 73.2 | Confident | 72.4 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | trans | -100.2 | 160.8 | 174.2 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | Q362 L364 Y388 | T360-Q362 PolarHBondContact O-N 2.88Å; T360-L364 VanDerWaalsContact OG1-CD1 3.27Å; T360-L364 WeakPolarHBondContact OG1-CD1 3.44Å; T360-Y388 WeakPolarHBondContact O-CE1 3.06Å | ||
| 361 | D | 65.6 | Low | 72.9 | Confident | 137 Ų | 137 | 57.3 Ų | 57.3 | 73% | 0.733 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -71.2 | 30.7 | 177.1 | -53.7 | -43.6 | 0 | 0 | 0 | 114.8 | ||
| 362 | Q | 74.5 | Confident | 73 | Confident | 126 Ų | 126 | 49 Ų | 49 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -121.8 | 144.2 | -175.9 | -64.7 | -171.8 | -2.4 | 0 | 0 | 111.5 | T360 L364 Y388 | T360-Q362 PolarHBondContact O-N 2.88Å; Q362-L364 HydrophobicContact CB-CD1 4.27Å; Q362-L364 HydrophobicContact CB-CG 4.09Å; Q362-L364 PolarHBondContact O-N 3.36Å; Q362-Y388 WeakPolarHBondContact O-CD1 3.49Å |
| 363 | C | 72.5 | Confident | 72.9 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | trans | -67 | 93.6 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | C417 | C363-C417 HydrophobicContact CB-CB 3.64Å; C363-C417 WeakPolarHBondContact CB-SG 3.35Å; C363-C417 WeakPolarHBondContact SG-CA 3.27Å; C363-C417 WeakPolarHBondContact SG-CB 3.38Å; C363-C417 CovalentContact SG-SG 2.03Å; C363-C417 PolarHBondContact SG-SG 3.04Å | ||
| 364 | L | 77.5 | Confident | 72.6 | Confident | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.3 | -174.2 | -69 | 172.8 | 0 | 0 | 0 | 112 | I339 T360 Q362 Y366 Y388 | I339-L364 HydrophobicContact CG2-CB 4.42Å; I339-L364 HydrophobicContact CG2-CD1 4Å; I339-L364 HydrophobicContact CG2-CD2 3.98Å; I339-L364 HydrophobicContact CG2-CG 4.37Å; T360-L364 VanDerWaalsContact OG1-CD1 3.27Å; T360-L364 WeakPolarHBondContact OG1-CD1 3.44Å; Q362-L364 HydrophobicContact CB-CD1 4.27Å; Q362-L364 HydrophobicContact CB-CG 4.09Å; Q362-L364 PolarHBondContact O-N 3.36Å; L364-Y366 HydrophobicContact CB-CD2 4.21Å; L364-Y366 HydrophobicContact CB-CE2 3.68Å; L364-Y388 PolarHBondContact O-N 3.2Å |
| 365 | T | 78.7 | Confident | 71.9 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.2 | 165.5 | -49 | 0 | 0 | 0 | 0 | 108.5 | I385 D387 K419 | T365-I385 HydrophobicContact CG2-CG2 3.51Å; T365-D387 PolarHBondContact OG1-OD1 3.49Å; T365-K419 PolarHBondContact OG1-NZ 3.16Å |
| 366 | Y | 73.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.2 | 172.5 | -67.6 | -110 | 0 | 0 | 0 | 108.9 | I318 Q337 I339 T359 L364 F368 I385 L386 Y388 | I318-Y366 HydrophobicContact CD1-CD1 4Å; I318-Y366 HydrophobicContact CD1-CD2 3.91Å; I318-Y366 HydrophobicContact CD1-CE1 4.15Å; I318-Y366 HydrophobicContact CD1-CE2 4.08Å; I318-Y366 HydrophobicContact CD1-CG 3.9Å; Q337-Y366 HydrophobicContact CG-CD1 4.27Å; I339-Y366 HydrophobicContact CD1-CD1 3.97Å; I339-Y366 HydrophobicContact CD1-CE1 3.46Å; I339-Y366 VanDerWaalsContact CD1-CE1 3.46Å; I339-Y366 HydrophobicContact CG1-CD1 3.92Å; I339-Y366 HydrophobicContact CG1-CE1 3.96Å; I339-Y366 HydrophobicContact CG1-CG 4.49Å; T359-Y366 WeakPolarHBondContact CB-OH 3.33Å; T359-Y366 HydrophobicContact CG2-CE1 4.07Å; T359-Y366 HydrophobicContact CG2-CE2 4.19Å; T359-Y366 WeakPolarHBondContact CG2-OH 3.33Å; L364-Y366 HydrophobicContact CB-CD2 4.21Å; L364-Y366 HydrophobicContact CB-CE2 3.68Å; Y366-F368 HydrophobicContact CD1-CE1 4.2Å; Y366-F368 HydrophobicContact CD1-CE2 4.36Å; Y366-F368 AromaticContact CD1-CZ 3.65Å; Y366-F368 HydrophobicContact CD1-CZ 3.65Å; Y366-F368 HydrophobicContact CG-CE2 4.17Å; Y366-F368 AromaticContact CG-CZ 3.92Å; Y366-F368 HydrophobicContact CG-CZ 3.92Å; Y366-I385 WeakPolarHBondContact O-CA 3.45Å; Y366-L386 PolarHBondContact N-O 2.8Å; Y366-L386 PolarHBondContact O-N 2.82Å; Y366-Y388 HydrophobicContact CE2-CG 4.14Å |
| 367 | E | 79.1 | Confident | 69.4 | Low | 61 Ų | 61 | 54 Ų | 54 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.6 | 167 | -57.4 | -177.2 | 147.6 | 0 | 0 | 108.1 | Q337 K338 I385 | Q337-E367 CarbonylContact C-O 3.59Å; Q337-E367 WeakPolarHBondContact CA-O 3.33Å; K338-E367 HydrophobicContact CB-CB 4.3Å; K338-E367 PolarHBondContact N-O 3.26Å; K338-E367 IonicContact NZ-OE2 2.71Å; K338-E367 PolarHBondContact NZ-OE2 3.22Å; K338-E367 PolarHBondContact O-N 2.8Å; E367-I385 HydrophobicContact CG-CD1 4.45Å; E367-I385 HydrophobicContact CG-CG1 4.25Å; E367-I385 HydrophobicContact CG-CG2 4.42Å |
| 368 | F | 78.5 | Confident | 68.5 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.5 | 179.7 | -59.7 | -76 | 0 | 0 | 0 | 110.6 | L308 I318 L320 L335 T336 Q337 V357 Y366 Q383 Y384 L386 | L308-F368 HydrophobicContact CD2-CB 3.84Å; L308-F368 WeakPolarHBondContact CD2-O 3.26Å; I318-F368 HydrophobicContact CD1-CE2 4.35Å; I318-F368 HydrophobicContact CD1-CZ 4.07Å; I318-F368 HydrophobicContact CG2-CE2 4.38Å; I318-F368 HydrophobicContact CG2-CZ 4.39Å; L320-F368 HydrophobicContact CD1-CD1 3.61Å; L320-F368 HydrophobicContact CD1-CD2 4.41Å; L320-F368 HydrophobicContact CD1-CE1 3.61Å; L320-F368 HydrophobicContact CD1-CE2 4.39Å; L320-F368 HydrophobicContact CD1-CG 4Å; L320-F368 HydrophobicContact CD1-CZ 4Å; L320-F368 HydrophobicContact CD2-CB 4.32Å; L320-F368 HydrophobicContact CD2-CD1 4.32Å; L320-F368 HydrophobicContact CD2-CD2 3.64Å; L320-F368 HydrophobicContact CD2-CE1 4.5Å; L320-F368 HydrophobicContact CD2-CE2 3.84Å; L320-F368 HydrophobicContact CD2-CG 3.86Å; L320-F368 HydrophobicContact CD2-CZ 4.25Å; L320-F368 HydrophobicContact CG-CZ 4.47Å; L335-F368 HydrophobicContact CD2-CD1 3.95Å; T336-F368 CarbonylContact O-C 3.57Å; T336-F368 VanDerWaalsContact O-CA 3.29Å; T336-F368 WeakPolarHBondContact O-CA 3.43Å; Q337-F368 HydrophobicContact CB-CD1 3.76Å; Q337-F368 HydrophobicContact CB-CE1 3.78Å; Q337-F368 HydrophobicContact CG-CD1 3.99Å; Q337-F368 HydrophobicContact CG-CE1 3.57Å; V357-F368 HydrophobicContact CG2-CE1 4.39Å; Y366-F368 HydrophobicContact CD1-CE1 4.2Å; Y366-F368 HydrophobicContact CD1-CE2 4.36Å; Y366-F368 AromaticContact CD1-CZ 3.65Å; Y366-F368 HydrophobicContact CD1-CZ 3.65Å; Y366-F368 HydrophobicContact CG-CE2 4.17Å; Y366-F368 AromaticContact CG-CZ 3.92Å; Y366-F368 HydrophobicContact CG-CZ 3.92Å; F368-Q383 CarbonylContact O-C 3.56Å; F368-Q383 WeakPolarHBondContact O-CA 3.44Å; F368-Y384 HydrophobicContact CD2-CD1 4.21Å; F368-Y384 PolarHBondContact N-O 2.87Å; F368-Y384 PolarHBondContact O-N 2.82Å; F368-L386 HydrophobicContact CE2-CB 4.41Å |
| 369 | D | 78.3 | Confident | 67.4 | Low | 29 Ų | 29 | 53.4 Ų | 53.4 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 112.9 | 179.5 | -77.2 | 2.7 | 0 | 0 | 0 | 109.7 | L335 T336 Y381 S382 Q383 | L335-D369 WeakPolarHBondContact CA-O 3.49Å; T336-D369 PolarHBondContact N-O 3.08Å; T336-D369 PolarHBondContact O-N 2.87Å; T336-D369 WeakPolarHBondContact OG1-CB 3.43Å; T336-D369 PolarHBondContact OG1-O 3.35Å; D369-Y381 HydrophobicContact CB-CE2 3.82Å; D369-Y381 PolarHBondContact OD1-OH 2.83Å; D369-Y381 WeakPolarHBondContact OD2-CE2 3.07Å; D369-Y381 VanDerWaalsContact OD2-CZ 3.26Å; D369-Y381 PolarHBondContact OD2-OH 2.82Å; D369-S382 CarbonylContact C-O 3.56Å; D369-S382 WeakPolarHBondContact CA-O 3.42Å; D369-Q383 WeakPolarHBondContact OD1-CB 3.46Å; D369-Q383 WeakPolarHBondContact OD1-CG 3.12Å; D369-Q383 PolarHBondContact OD1-NE2 2.79Å |
| 370 | Y | 73.4 | Confident | 66.7 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | 173.7 | -173 | -91.2 | 0 | 0 | 0 | 110.4 | I306 W322 N324 F333 L335 L348 V372 Y381 S382 | I306-Y370 HydrophobicContact CD1-CD1 3.83Å; I306-Y370 HydrophobicContact CD1-CE1 3.61Å; I306-Y370 HydrophobicContact CG2-CD1 3.84Å; I306-Y370 HydrophobicContact CG2-CE1 4.06Å; W322-Y370 HydrophobicContact CB-CD2 4.44Å; W322-Y370 HydrophobicContact CB-CE2 4.39Å; W322-Y370 AromaticContact CD1-CE2 3.56Å; W322-Y370 AromaticContact CD1-CZ 3.41Å; W322-Y370 VanDerWaalsContact CD1-CZ 3.41Å; W322-Y370 VanDerWaalsContact CD1-OH 3.29Å; W322-Y370 AromaticContact CD2-CD2 3.95Å; W322-Y370 HydrophobicContact CD2-CD2 3.95Å; W322-Y370 AromaticContact CD2-CE2 3.5Å; W322-Y370 HydrophobicContact CD2-CE2 3.5Å; W322-Y370 VanDerWaalsContact CD2-CE2 3.5Å; W322-Y370 AromaticContact CE2-CE2 3.53Å; W322-Y370 HydrophobicContact CE3-CD2 4.24Å; W322-Y370 HydrophobicContact CE3-CE2 4.15Å; W322-Y370 HydrophobicContact CG-CD2 4.01Å; W322-Y370 HydrophobicContact CG-CE1 4.45Å; W322-Y370 AromaticContact CG-CE2 3.56Å; W322-Y370 HydrophobicContact CG-CE2 3.56Å; W322-Y370 AromaticContact CG-CZ 3.82Å; W322-Y370 HydrophobicContact CZ2-CE2 4.21Å; W322-Y370 AromaticContact NE1-CE2 3.55Å; W322-Y370 AromaticContact NE1-CZ 3.58Å; W322-Y370 PolarHBondContact NE1-OH 2.88Å; W322-Y370 VanDerWaalsContact NE1-OH 3.15Å; N324-Y370 PolarHBondContact OD1-OH 2.92Å; F333-Y370 VanDerWaalsContact CD1-OH 3.28Å; F333-Y370 WeakPolarHBondContact CD1-OH 3.47Å; L335-Y370 HydrophobicContact CB-CD2 4.28Å; L335-Y370 HydrophobicContact CD1-CD2 4.21Å; L348-Y370 HydrophobicContact CD1-CD2 4.03Å; L348-Y370 HydrophobicContact CD1-CE2 3.51Å; Y370-V372 HydrophobicContact CD1-CG2 4.17Å; Y370-V372 HydrophobicContact CE1-CG2 3.48Å; Y370-V372 VanDerWaalsContact CE1-CG2 3.48Å; Y370-Y381 CarbonylContact O-C 3.55Å; Y370-Y381 WeakPolarHBondContact O-CA 3.35Å; Y370-S382 PolarHBondContact N-O 2.86Å; Y370-S382 PolarHBondContact O-N 3.11Å |
| 371 | V | 73.3 | Confident | 66.2 | Low | 26 Ų | 26 | 55.6 Ų | 55.6 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.2 | -176.8 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | Y334 Q373 A378 S380 Y381 | Y334-V371 HydrophobicContact CD2-CB 4Å; Y334-V371 HydrophobicContact CD2-CG1 3.97Å; Y334-V371 HydrophobicContact CE2-CG1 4.17Å; Y334-V371 PolarHBondContact N-O 2.74Å; Y334-V371 PolarHBondContact O-N 2.99Å; V371-Q373 HydrophobicContact CG1-CB 4.36Å; V371-A378 HydrophobicContact CG1-CB 4.29Å; V371-S380 WeakPolarHBondContact CA-O 3.37Å; V371-Y381 HydrophobicContact CG2-CD2 4Å |
| 372 | V | 67.4 | Low | 66.3 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.9 | 162.5 | -171 | 0 | 0 | 0 | 0 | 107.6 | I306 F327 F333 Y370 A378 L379 S380 | I306-V372 HydrophobicContact CD1-CG2 3.44Å; I306-V372 VanDerWaalsContact CD1-CG2 3.44Å; F327-V372 HydrophobicContact CD1-CG1 3.79Å; F327-V372 HydrophobicContact CD2-CG1 4.26Å; F327-V372 HydrophobicContact CD2-CG2 4.47Å; F327-V372 HydrophobicContact CE1-CB 4.31Å; F327-V372 HydrophobicContact CE1-CG1 4.01Å; F327-V372 HydrophobicContact CE1-CG2 4.41Å; F327-V372 HydrophobicContact CE2-CG1 4.49Å; F327-V372 HydrophobicContact CE2-CG2 4.04Å; F327-V372 HydrophobicContact CG-CG1 3.94Å; F327-V372 HydrophobicContact CZ-CB 4.43Å; F327-V372 HydrophobicContact CZ-CG1 4.4Å; F327-V372 HydrophobicContact CZ-CG2 4.04Å; F333-V372 HydrophobicContact CD1-CB 4.35Å; F333-V372 HydrophobicContact CD1-CG1 3.92Å; F333-V372 HydrophobicContact CD1-CG2 3.72Å; F333-V372 HydrophobicContact CE1-CB 4.46Å; F333-V372 HydrophobicContact CE1-CG1 3.69Å; F333-V372 HydrophobicContact CE1-CG2 3.93Å; F333-V372 HydrophobicContact CZ-CG1 4.26Å; Y370-V372 HydrophobicContact CD1-CG2 4.17Å; Y370-V372 HydrophobicContact CE1-CG2 3.48Å; Y370-V372 VanDerWaalsContact CE1-CG2 3.48Å; V372-A378 CarbonylContact O-C 3.45Å; V372-A378 WeakPolarHBondContact O-CA 3.47Å; V372-L379 HydrophobicContact CB-CB 4.41Å; V372-L379 HydrophobicContact CG1-CB 4.35Å; V372-L379 HydrophobicContact CG1-CD1 4.25Å; V372-L379 PolarHBondContact O-N 2.91Å; V372-S380 PolarHBondContact N-O 3.24Å; V372-S380 PolarHBondContact O-N 2.92Å |
| 373 | Q | 64.1 | Low | 65.9 | Low | 72 Ų | 72 | 48.6 Ų | 48.6 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.9 | -178.2 | -176.7 | 165.8 | 2.9 | 0 | 0 | 109.9 | S331 S332 Y334 V371 H377 | S331-Q373 CarbonylContact C-O 3.57Å; S331-Q373 VanDerWaalsContact CA-O 3.24Å; S331-Q373 WeakPolarHBondContact CA-O 3.22Å; S332-Q373 PolarHBondContact N-O 3.4Å; S332-Q373 PolarHBondContact O-N 3.45Å; Y334-Q373 HydrophobicContact CE2-CB 3.59Å; Y334-Q373 HydrophobicContact CE2-CG 4.42Å; Y334-Q373 PolarHBondContact OH-OE1 3.44Å; V371-Q373 HydrophobicContact CG1-CB 4.36Å; Q373-H377 WeakPolarHBondContact CA-O 3.5Å |
| 374 | D | 63.1 | Low | 65.6 | Low | 44 Ų | 44 | 47.8 Ų | 47.8 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | trans | -109.1 | -176.5 | 163.5 | 65.5 | 11.9 | 0 | 0 | 0 | 110.5 | Y376 H377 L379 | D374-Y376 PolarHBondContact O-N 2.9Å; D374-Y376 WeakPolarHBondContact OD1-CA 3.44Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.38Å; D374-Y376 PolarHBondContact OD1-N 3.28Å; D374-H377 PolarHBondContact N-O 3.46Å; D374-H377 VanDerWaalsContact N-O 3.1Å; D374-H377 PolarHBondContact OD1-N 3.13Å; D374-L379 HydrophobicContact CB-CD1 3.83Å; D374-L379 HydrophobicContact CB-CG 4.23Å | ||
| 375 | D | 49.7 | Very low | 65.1 | Low | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -57.1 | -5.3 | 178.4 | -42 | -41.7 | 0 | 0 | 0 | 114 | P198 R330 | P198-D375 WeakPolarHBondContact CD-OD2 3.16Å; R330-D375 IonicContact NH1-OD2 3.66Å |
| 376 | Y | 43 | Very low | 64.5 | Low | 84 Ų | 84 | 47.3 Ų | 47.3 | 33% | 0.329 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -109 | -60.3 | 178.5 | -57.6 | -82 | 0 | 0 | 0 | 111.9 | P198 T199 D374 | P198-Y376 VanDerWaalsContact CA-OH 3.28Å; P198-Y376 WeakPolarHBondContact CA-OH 3.12Å; P198-Y376 WeakPolarHBondContact CB-OH 3.29Å; P198-Y376 WeakPolarHBondContact CD-OH 3.27Å; P198-Y376 HydrophobicContact CG-CE2 3.79Å; P198-Y376 WeakPolarHBondContact CG-OH 3.39Å; P198-Y376 PolarHBondContact O-OH 2.84Å; T199-Y376 WeakPolarHBondContact CA-OH 3.43Å; T199-Y376 WeakPolarHBondContact CB-OH 3.42Å; T199-Y376 HydrophobicContact CG2-CD1 4.35Å; T199-Y376 HydrophobicContact CG2-CE1 3.85Å; T199-Y376 PolarHBondContact N-OH 2.67Å; D374-Y376 PolarHBondContact O-N 2.9Å; D374-Y376 WeakPolarHBondContact OD1-CA 3.44Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.38Å; D374-Y376 PolarHBondContact OD1-N 3.28Å |
| 377 | H | 50.6 | Low | 64.2 | Low | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.625 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -152 | 157.3 | -155.7 | -61.5 | -38.9 | 0 | 0 | 0 | 111.6 | Q373 D374 L379 | Q373-H377 WeakPolarHBondContact CA-O 3.5Å; D374-H377 PolarHBondContact N-O 3.46Å; D374-H377 VanDerWaalsContact N-O 3.1Å; D374-H377 PolarHBondContact OD1-N 3.13Å; H377-L379 PolarHBondContact O-N 3.25Å; H377-L379 VanDerWaalsContact O-N 3.08Å |
| 378 | A | 53.9 | Low | 63.5 | Low | 66 Ų | 66 | 47.2 Ų | 47.2 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 112 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V371 V372 | V371-A378 HydrophobicContact CG1-CB 4.29Å; V372-A378 CarbonylContact O-C 3.45Å; V372-A378 WeakPolarHBondContact O-CA 3.47Å |
| 379 | L | 52.4 | Low | 62.9 | Low | 50 Ų | 50 | 47.4 Ų | 47.4 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -40.2 | 178.3 | -73.5 | 172.9 | 0 | 0 | 0 | 111.4 | C303 F327 S331 V372 D374 H377 | C303-L379 PolarHBondContact SG-O 3.07Å; F327-L379 HydrophobicContact CD1-CD1 4.29Å; F327-L379 HydrophobicContact CE1-CB 4.49Å; S331-L379 VanDerWaalsContact OG-CD1 3.25Å; S331-L379 WeakPolarHBondContact OG-CD1 3.36Å; V372-L379 HydrophobicContact CB-CB 4.41Å; V372-L379 HydrophobicContact CG1-CB 4.35Å; V372-L379 HydrophobicContact CG1-CD1 4.25Å; V372-L379 PolarHBondContact O-N 2.91Å; D374-L379 HydrophobicContact CB-CD1 3.83Å; D374-L379 HydrophobicContact CB-CG 4.23Å; H377-L379 PolarHBondContact O-N 3.25Å; H377-L379 VanDerWaalsContact O-N 3.08Å |
| 380 | S | 57.2 | Low | 62.1 | Low | 13 Ų | 13 | 47 Ų | 47 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 144.1 | -178.9 | -143 | 0 | 0 | 0 | 0 | 110.7 | V371 V372 | V371-S380 WeakPolarHBondContact CA-O 3.37Å; V372-S380 PolarHBondContact N-O 3.24Å; V372-S380 PolarHBondContact O-N 2.92Å |
| 381 | Y | 64.4 | Low | 61.5 | Low | 124 Ų | 124 | 52.5 Ų | 52.5 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.7 | 180 | 174.6 | -95.8 | 0 | 0 | 0 | 108.5 | D369 Y370 V371 Q383 | D369-Y381 HydrophobicContact CB-CE2 3.82Å; D369-Y381 PolarHBondContact OD1-OH 2.83Å; D369-Y381 WeakPolarHBondContact OD2-CE2 3.07Å; D369-Y381 VanDerWaalsContact OD2-CZ 3.26Å; D369-Y381 PolarHBondContact OD2-OH 2.82Å; Y370-Y381 CarbonylContact O-C 3.55Å; Y370-Y381 WeakPolarHBondContact O-CA 3.35Å; V371-Y381 HydrophobicContact CG2-CD2 4Å; Y381-Q383 HydrophobicContact CE1-CB 3.93Å; Y381-Q383 PolarHBondContact OH-NE2 2.89Å |
| 382 | S | 66.3 | Low | 60.6 | Low | 17 Ų | 17 | 52.1 Ų | 52.1 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 127 | 174.2 | -161.5 | 0 | 0 | 0 | 0 | 109.9 | I306 L308 D369 Y370 | I306-S382 WeakPolarHBondContact O-CB 3.21Å; I306-S382 PolarHBondContact O-OG 3.3Å; L308-S382 PolarHBondContact N-OG 3.08Å; D369-S382 CarbonylContact C-O 3.56Å; D369-S382 WeakPolarHBondContact CA-O 3.42Å; Y370-S382 PolarHBondContact N-O 2.86Å; Y370-S382 PolarHBondContact O-N 3.11Å |
| 383 | Q | 67.6 | Low | 59.8 | Low | 99 Ų | 99 | 54.6 Ų | 54.6 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.6 | -177.7 | 175.9 | 161.7 | 74.1 | 0 | 0 | 110.2 | F368 D369 Y381 I385 | F368-Q383 CarbonylContact O-C 3.56Å; F368-Q383 WeakPolarHBondContact O-CA 3.44Å; D369-Q383 WeakPolarHBondContact OD1-CB 3.46Å; D369-Q383 WeakPolarHBondContact OD1-CG 3.12Å; D369-Q383 PolarHBondContact OD1-NE2 2.79Å; Y381-Q383 HydrophobicContact CE1-CB 3.93Å; Y381-Q383 PolarHBondContact OH-NE2 2.89Å; Q383-I385 HydrophobicContact CG-CG1 4.44Å |
| 384 | Y | 65.5 | Low | 58.9 | Low | 38 Ų | 38 | 57.3 Ų | 57.3 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.8 | 176.5 | -175 | -105.2 | 0 | 0 | 0 | 109.8 | G310 L320 F368 L386 | G310-Y384 VanDerWaalsContact CA-CE1 3.41Å; G310-Y384 VanDerWaalsContact N-CZ 3.34Å; G310-Y384 PolarHBondContact O-OH 2.8Å; L320-Y384 HydrophobicContact CD2-CD1 4.3Å; F368-Y384 HydrophobicContact CD2-CD1 4.21Å; F368-Y384 PolarHBondContact N-O 2.87Å; F368-Y384 PolarHBondContact O-N 2.82Å; Y384-L386 HydrophobicContact CD1-CB 4.42Å; Y384-L386 HydrophobicContact CE1-CB 3.78Å; Y384-L386 HydrophobicContact CE1-CD1 4.12Å; Y384-L386 HydrophobicContact CE1-CG 4.4Å |
| 385 | I | 67.4 | Low | 58 | Low | 43 Ų | 43 | 57.7 Ų | 57.7 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.8 | 178.7 | -53.6 | 178.2 | 0 | 0 | 0 | 108 | T365 Y366 E367 Q383 | T365-I385 HydrophobicContact CG2-CG2 3.51Å; Y366-I385 WeakPolarHBondContact O-CA 3.45Å; E367-I385 HydrophobicContact CG-CD1 4.45Å; E367-I385 HydrophobicContact CG-CG1 4.25Å; E367-I385 HydrophobicContact CG-CG2 4.42Å; Q383-I385 HydrophobicContact CG-CG1 4.44Å |
| 386 | L | 66.4 | Low | 57.6 | Low | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.4 | 178.3 | -171 | 68.9 | 0 | 0 | 0 | 110.3 | I318 Y366 F368 Y384 | I318-L386 HydrophobicContact CB-CD2 4.37Å; I318-L386 HydrophobicContact CD1-CD2 3.74Å; I318-L386 HydrophobicContact CG1-CD2 3.7Å; I318-L386 HydrophobicContact CG2-CD2 3.71Å; Y366-L386 PolarHBondContact N-O 2.8Å; Y366-L386 PolarHBondContact O-N 2.82Å; F368-L386 HydrophobicContact CE2-CB 4.41Å; Y384-L386 HydrophobicContact CD1-CB 4.42Å; Y384-L386 HydrophobicContact CE1-CB 3.78Å; Y384-L386 HydrophobicContact CE1-CD1 4.12Å; Y384-L386 HydrophobicContact CE1-CG 4.4Å |
| 387 | D | 66.1 | Low | 57.3 | Low | 58 Ų | 58 | 59.3 Ų | 59.3 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 111.2 | 164.4 | -71.3 | -37.5 | 0 | 0 | 0 | 108.4 | T365 K419 | T365-D387 PolarHBondContact OG1-OD1 3.49Å; D387-K419 HydrophobicContact CB-CD 3.94Å; D387-K419 VanDerWaalsContact CG-CD 3.48Å; D387-K419 VanDerWaalsContact CG-NZ 3.28Å; D387-K419 IonicContact OD1-NZ 3.3Å; D387-K419 PolarHBondContact OD1-NZ 2.78Å; D387-K419 WeakPolarHBondContact OD2-CD 3.21Å; D387-K419 IonicContact OD2-NZ 2.66Å |
| 388 | Y | 65.4 | Low | 56.6 | Low | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136.5 | 174.6 | 177.8 | -96.4 | 0 | 0 | 0 | 110.2 | Q312 G316 I318 T359 T360 Q362 L364 Y366 P390 | Q312-Y388 HydrophobicContact CG-CD2 4.01Å; Q312-Y388 HydrophobicContact CG-CE2 3.77Å; Q312-Y388 VanDerWaalsContact NE2-CE2 3.32Å; G316-Y388 PolarHBondContact N-OH 2.85Å; I318-Y388 HydrophobicContact CD1-CD2 4.33Å; I318-Y388 HydrophobicContact CG1-CD2 4.17Å; T359-Y388 HydrophobicContact CG2-CD2 3.88Å; T359-Y388 HydrophobicContact CG2-CE2 4.02Å; T359-Y388 HydrophobicContact CG2-CG 4.28Å; T359-Y388 WeakPolarHBondContact OG1-CE2 3.29Å; T359-Y388 PolarHBondContact OG1-OH 2.95Å; T360-Y388 WeakPolarHBondContact O-CE1 3.06Å; Q362-Y388 WeakPolarHBondContact O-CD1 3.49Å; L364-Y388 PolarHBondContact O-N 3.2Å; Y366-Y388 HydrophobicContact CE2-CG 4.14Å; Y388-P390 HydrophobicContact CE1-CB 3.98Å; Y388-P390 HydrophobicContact CE1-CG 4.45Å |
| 389 | I | 65.5 | Low | 55.5 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -126.8 | 108.7 | -179.4 | -71.9 | 165.1 | 0 | 0 | 0 | 107.5 | Q312 M392 N415 C417 L421 | Q312-I389 PolarHBondContact NE2-O 2.67Å; Q312-I389 PolarHBondContact OE1-O 2.7Å; I389-M392 HydrophobicContact CG2-CB 4.34Å; I389-M392 HydrophobicContact CG2-CG 4.26Å; I389-N415 VanDerWaalsContact CG2-ND2 3.29Å; I389-N415 WeakPolarHBondContact CG2-ND2 3.43Å; I389-C417 HydrophobicContact CG1-CB 4.24Å; I389-L421 HydrophobicContact CD1-CD1 3.55Å; I389-L421 HydrophobicContact CD1-CD2 3.91Å; I389-L421 HydrophobicContact CD1-CG 3.61Å | ||
| 390 | P | 62 | Low | 54.6 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 154.2 | 172.9 | 28 | -35.3 | 0 | 0 | 0 | 111.3 | Y388 M392 | Y388-P390 HydrophobicContact CE1-CB 3.98Å; Y388-P390 HydrophobicContact CE1-CG 4.45Å; P390-M392 PolarHBondContact O-N 3.23Å |
| 391 | Q | 61.2 | Low | 53.5 | Low | 116 Ų | 116 | 72 Ų | 72 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 31.3 | 179.7 | -61.3 | 177.1 | -36.4 | 0 | 0 | 113.7 | D315 F393 E394 | D315-Q391 WeakPolarHBondContact OD1-CA 3.44Å; D315-Q391 PolarHBondContact OD1-N 2.88Å; Q391-F393 PolarHBondContact O-N 2.78Å; Q391-E394 HydrophobicContact CB-CG 4.17Å; Q391-E394 VanDerWaalsContact CD-OE2 3.32Å; Q391-E394 HydrophobicContact CG-CG 4.46Å; Q391-E394 WeakPolarHBondContact CG-OE2 3.46Å; Q391-E394 PolarHBondContact NE2-OE2 2.84Å |
| 392 | M | 53.9 | Low | 51.9 | Low | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -33.8 | -176.5 | -157.4 | -163.3 | -142.5 | 0 | 0 | 111.4 | D315 I389 P390 W410 L421 I424 M436 | D315-M392 PolarHBondContact OD1-N 2.92Å; I389-M392 HydrophobicContact CG2-CB 4.34Å; I389-M392 HydrophobicContact CG2-CG 4.26Å; P390-M392 PolarHBondContact O-N 3.23Å; M392-W410 HydrophobicContact CE-CH2 4.01Å; M392-W410 HydrophobicContact CG-CH2 3.83Å; M392-W410 HydrophobicContact CG-CZ2 3.72Å; M392-W410 WeakPolarHBondContact O-CZ2 3.2Å; M392-W410 PolarHBondContact O-NE1 3.11Å; M392-W410 HydrophobicContact SD-CH2 3.79Å; M392-W410 HydrophobicContact SD-CZ2 4.14Å; M392-L421 HydrophobicContact CE-CD1 3.53Å; M392-L421 HydrophobicContact CE-CD2 3.47Å; M392-L421 VanDerWaalsContact CE-CD2 3.47Å; M392-L421 HydrophobicContact CE-CG 4.15Å; M392-I424 HydrophobicContact CE-CD1 3.39Å; M392-I424 HydrophobicContact SD-CD1 4.08Å; M392-M436 HydrophobicContact SD-CE 4.32Å |
| 393 | F | 50.7 | Low | 50.2 | Low | 51 Ų | 51 | 73.8 Ų | 73.8 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -22.2 | -171 | -61.9 | -86.1 | 0 | 0 | 0 | 113.8 | Q312 I313 Q391 N395 I396 F426 M436 | Q312-F393 HydrophobicContact CG-CE2 4.47Å; I313-F393 WeakPolarHBondContact O-CZ 3.5Å; Q391-F393 PolarHBondContact O-N 2.78Å; F393-N395 PolarHBondContact O-N 3.49Å; F393-I396 HydrophobicContact CB-CD1 4.42Å; F393-I396 HydrophobicContact CD1-CD1 4.07Å; F393-I396 WeakPolarHBondContact O-CG1 3.19Å; F393-I396 PolarHBondContact O-N 2.89Å; F393-F426 HydrophobicContact CD1-CE1 4.48Å; F393-F426 HydrophobicContact CE1-CE1 4.32Å; F393-M436 HydrophobicContact CE1-CE 3.36Å; F393-M436 HydrophobicContact CZ-CE 3.35Å |
| 394 | E | 44 | Very low | 48.5 | Very low | 129 Ų | 129 | 75.7 Ų | 75.7 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.2 | -172.9 | -62.2 | -170.3 | 155.3 | 0 | 0 | 113.6 | Q391 | Q391-E394 HydrophobicContact CB-CG 4.17Å; Q391-E394 VanDerWaalsContact CD-OE2 3.32Å; Q391-E394 HydrophobicContact CG-CG 4.46Å; Q391-E394 WeakPolarHBondContact CG-OE2 3.46Å; Q391-E394 PolarHBondContact NE2-OE2 2.84Å |
| 395 | N | 44.1 | Very low | 46.9 | Very low | 53 Ų | 53 | 76.5 Ų | 76.5 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 17.1 | -177.1 | -73 | -66.7 | 0 | 0 | 0 | 114.9 | F393 R397 D411 | F393-N395 PolarHBondContact O-N 3.49Å; N395-R397 PolarHBondContact O-N 2.9Å; N395-R397 VanDerWaalsContact O-N 3.14Å; N395-D411 PolarHBondContact O-N 2.84Å |
| 396 | I | 41.9 | Very low | 45.2 | Very low | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.179 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 99.9 | 174 | -59.3 | 169 | 0 | 0 | 0 | 110.3 | F393 L408 W410 F426 L434 | F393-I396 HydrophobicContact CB-CD1 4.42Å; F393-I396 HydrophobicContact CD1-CD1 4.07Å; F393-I396 WeakPolarHBondContact O-CG1 3.19Å; F393-I396 PolarHBondContact O-N 2.89Å; I396-L408 HydrophobicContact CG2-CD2 3.77Å; I396-W410 HydrophobicContact CG1-CG 4.39Å; I396-F426 HydrophobicContact CD1-CD1 4.48Å; I396-F426 HydrophobicContact CD1-CE1 3.75Å; I396-F426 HydrophobicContact CD1-CE2 4.22Å; I396-F426 HydrophobicContact CD1-CZ 3.6Å; I396-F426 HydrophobicContact CG1-CZ 4.34Å; I396-L434 HydrophobicContact CG2-CD1 4.01Å |
| 397 | R | 36.8 | Very low | 43.6 | Very low | 157 Ų | 157 | 80.2 Ų | 80.2 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.1 | 169.7 | -64.4 | 177.1 | 174 | 170.7 | -8.3 | 109.6 | N395 K409 D411 | N395-R397 PolarHBondContact O-N 2.9Å; N395-R397 VanDerWaalsContact O-N 3.14Å; R397-K409 PolarHBondContact N-O 2.85Å; R397-K409 CarbonylContact O-C 3.53Å; R397-K409 PolarHBondContact O-N 2.79Å; R397-K409 VanDerWaalsContact O-O 3.05Å; R397-D411 IonicContact CZ-OD2 3.91Å; R397-D411 IonicContact NH1-OD2 2.95Å; R397-D411 PolarHBondContact NH1-OD2 2.81Å |
| 398 | Y | 36 | Very low | 42.2 | Very low | 163 Ų | 163 | 79.7 Ų | 79.7 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.9 | 175 | 68.7 | -88 | 0 | 0 | 0 | 111.1 | V400 T406 | Y398-V400 HydrophobicContact CD2-CG2 4.45Å; Y398-T406 HydrophobicContact CD2-CG2 4.14Å |
| 399 | R | 32 | Very low | 40.9 | Very low | 194 Ų | 194 | 86.9 Ų | 86.9 | 73% | 0.732 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.5 | 170.5 | -172.7 | 179.7 | -175.4 | -175.2 | 3.3 | 108.7 | V401 E407 | R399-V401 PolarHBondContact O-N 2.95Å; R399-E407 PolarHBondContact N-O 2.81Å; R399-E407 PolarHBondContact O-N 2.91Å |
| 400 | V | 31.7 | Very low | 39.8 | Very low | 88 Ų | 88 | 89.3 Ų | 89.3 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 119.2 | 170 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | Y398 S402 T406 | Y398-V400 HydrophobicContact CD2-CG2 4.45Å; V400-S402 WeakPolarHBondContact CG1-O 3.42Å; V400-T406 HydrophobicContact CG2-CG2 4.33Å |
| 401 | V | 34.1 | Very low | 38.8 | Very low | 87 Ų | 87 | 91 Ų | 91 | 53% | 0.527 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -29.6 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | R399 S405 E407 | R399-V401 PolarHBondContact O-N 2.95Å; V401-S405 PolarHBondContact N-O 2.03Å; V401-E407 HydrophobicContact CG2-CB 3.58Å |
| 402 | S | 31.3 | Very low | 38 | Very low | 38 Ų | 38 | 89.3 Ų | 89.3 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 169.9 | 171.3 | 76.3 | 0 | 0 | 0 | 0 | 111 | V400 T404 S405 | V400-S402 WeakPolarHBondContact CG1-O 3.42Å; S402-T404 PolarHBondContact O-N 3.21Å; S402-T404 PolarHBondContact OG-N 2.79Å; S402-T404 PolarHBondContact OG-OG1 2.72Å; S402-S405 PolarHBondContact N-O 2.75Å; S402-S405 PolarHBondContact O-N 2.98Å; S402-S405 VanDerWaalsContact O-N 3.13Å; S402-S405 PolarHBondContact OG-N 3Å; S402-S405 PolarHBondContact OG-OG 3.06Å |
| 403 | P | 30.4 | Very low | 37.3 | Very low | 139 Ų | 139 | 97.5 Ų | 97.5 | 90% | 0.903 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -13 | 173.8 | -24.8 | 35.4 | 0 | 0 | 0 | 115 | ||
| 404 | T | 32.5 | Very low | 37.1 | Very low | 140 Ų | 140 | 100.9 Ų | 100.9 | 86% | 0.859 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 4.2 | 179 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | S402 | S402-T404 PolarHBondContact O-N 3.21Å; S402-T404 PolarHBondContact OG-N 2.79Å; S402-T404 PolarHBondContact OG-OG1 2.72Å |
| 405 | S | 30.9 | Very low | 37.4 | Very low | 54 Ų | 54 | 96.8 Ų | 96.8 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 128.6 | 175.8 | 64.9 | 0 | 0 | 0 | 0 | 113 | V401 S402 | V401-S405 PolarHBondContact N-O 2.03Å; S402-S405 PolarHBondContact N-O 2.75Å; S402-S405 PolarHBondContact O-N 2.98Å; S402-S405 VanDerWaalsContact O-N 3.13Å; S402-S405 PolarHBondContact OG-N 3Å; S402-S405 PolarHBondContact OG-OG 3.06Å |
| 406 | T | 32.9 | Very low | 38 | Very low | 34 Ų | 34 | 101.7 Ų | 101.7 | 21% | 0.209 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.3 | 170.6 | -61 | 0 | 0 | 0 | 0 | 107.7 | Y398 V400 | Y398-T406 HydrophobicContact CD2-CG2 4.14Å; V400-T406 HydrophobicContact CG2-CG2 4.33Å |
| 407 | E | 33.3 | Very low | 38.8 | Very low | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121 | 177.6 | -163.7 | 166.2 | -126.4 | 0 | 0 | 108.2 | R399 V401 K454 | R399-E407 PolarHBondContact N-O 2.81Å; R399-E407 PolarHBondContact O-N 2.91Å; V401-E407 HydrophobicContact CG2-CB 3.58Å; E407-K454 IonicContact OE1-NZ 3.77Å; E407-K454 PolarHBondContact OE1-NZ 2.82Å |
| 408 | L | 36.7 | Very low | 39.8 | Very low | 46 Ų | 46 | 101.2 Ų | 101.2 | 24% | 0.241 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.5 | -177 | -73.3 | 141 | 0 | 0 | 0 | 108.4 | I396 F426 L434 | I396-L408 HydrophobicContact CG2-CD2 3.77Å; L408-F426 HydrophobicContact CD1-CB 4Å; L408-L434 HydrophobicContact CD1-CD2 3.35Å; L408-L434 HydrophobicContact CD2-CD1 3.67Å; L408-L434 HydrophobicContact CD2-CD2 3.47Å; L408-L434 VanDerWaalsContact CD2-CD2 3.47Å; L408-L434 HydrophobicContact CD2-CG 4.22Å; L408-L434 HydrophobicContact CG-CD2 4.02Å |
| 409 | K | 36.4 | Very low | 40.3 | Very low | 155 Ų | 155 | 96.8 Ų | 96.8 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 100.6 | -178.2 | -165.1 | -178.9 | -177.2 | -171.8 | 0 | 109.1 | R397 D411 | R397-K409 PolarHBondContact N-O 2.85Å; R397-K409 CarbonylContact O-C 3.53Å; R397-K409 PolarHBondContact O-N 2.79Å; R397-K409 VanDerWaalsContact O-O 3.05Å; K409-D411 PolarHBondContact O-N 3Å |
| 410 | W | 43.3 | Very low | 40.7 | Very low | 55 Ų | 55 | 94.5 Ų | 94.5 | 21% | 0.208 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.1 | 176 | -136.7 | -0.4 | 0 | 0 | 0 | 109.5 | M392 I396 M412 I424 F426 | M392-W410 HydrophobicContact CE-CH2 4.01Å; M392-W410 HydrophobicContact CG-CH2 3.83Å; M392-W410 HydrophobicContact CG-CZ2 3.72Å; M392-W410 WeakPolarHBondContact O-CZ2 3.2Å; M392-W410 PolarHBondContact O-NE1 3.11Å; M392-W410 HydrophobicContact SD-CH2 3.79Å; M392-W410 HydrophobicContact SD-CZ2 4.14Å; I396-W410 HydrophobicContact CG1-CG 4.39Å; W410-M412 HydrophobicContact CD2-CG 4.48Å; W410-M412 HydrophobicContact CE3-CG 4.46Å; W410-M412 HydrophobicContact CE3-SD 4.27Å; W410-M412 PolarHBondContact O-N 3.5Å; W410-I424 HydrophobicContact CE3-CB 4.45Å; W410-I424 HydrophobicContact CH2-CB 4.02Å; W410-I424 HydrophobicContact CH2-CD1 3.54Å; W410-I424 HydrophobicContact CH2-CG1 4.3Å; W410-I424 HydrophobicContact CH2-CG2 4.1Å; W410-I424 HydrophobicContact CZ3-CB 3.57Å; W410-I424 HydrophobicContact CZ3-CD1 3.65Å; W410-I424 HydrophobicContact CZ3-CG1 4.01Å; W410-I424 HydrophobicContact CZ3-CG2 4.09Å; W410-F426 HydrophobicContact CD2-CE2 4.12Å; W410-F426 HydrophobicContact CE3-CE2 4.18Å; W410-F426 HydrophobicContact CH2-CE2 4.04Å; W410-F426 AromaticContact CH2-CZ 3.95Å; W410-F426 HydrophobicContact CH2-CZ 3.95Å; W410-F426 AromaticContact CZ2-CE2 3.97Å; W410-F426 HydrophobicContact CZ2-CE2 3.97Å; W410-F426 AromaticContact CZ2-CZ 3.72Å; W410-F426 HydrophobicContact CZ2-CZ 3.72Å; W410-F426 HydrophobicContact CZ3-CE2 4.19Å |
| 411 | D | 41.7 | Very low | 41.1 | Very low | 57 Ų | 57 | 92.4 Ų | 92.4 | 31% | 0.305 | 50% | 0.496 | S | S | . | . | trans | -93.1 | 72.8 | -177.8 | -148 | -15.9 | 0 | 0 | 0 | 109.9 | N395 R397 K409 K413 | N395-D411 PolarHBondContact O-N 2.84Å; R397-D411 IonicContact CZ-OD2 3.91Å; R397-D411 IonicContact NH1-OD2 2.95Å; R397-D411 PolarHBondContact NH1-OD2 2.81Å; K409-D411 PolarHBondContact O-N 3Å; D411-K413 PolarHBondContact O-N 2.97Å | ||
| 412 | M | 43.4 | Very low | 41 | Very low | 80 Ų | 80 | 93 Ų | 93 | 39% | 0.394 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -67.8 | 0.5 | -171 | -91.6 | -172 | 58.2 | 0 | 0 | 115.8 | W410 N414 N415 L421 | W410-M412 HydrophobicContact CD2-CG 4.48Å; W410-M412 HydrophobicContact CE3-CG 4.46Å; W410-M412 HydrophobicContact CE3-SD 4.27Å; W410-M412 PolarHBondContact O-N 3.5Å; M412-N414 PolarHBondContact O-N 3.25Å; M412-N414 VanDerWaalsContact O-N 3.12Å; M412-N415 PolarHBondContact O-N 3.47Å; M412-L421 HydrophobicContact CE-CB 4.08Å; M412-L421 HydrophobicContact CE-CD1 3.79Å; M412-L421 HydrophobicContact CE-CG 4.4Å; M412-L421 HydrophobicContact SD-CB 4.41Å; M412-L421 HydrophobicContact SD-CD1 4.02Å |
| 413 | K | 40.1 | Very low | 41 | Very low | 190 Ų | 190 | 96.8 Ų | 96.8 | 83% | 0.826 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -62.8 | -19.4 | -175 | -81.8 | -170.1 | 171.5 | -171.1 | 0 | 114.8 | D411 | D411-K413 PolarHBondContact O-N 2.97Š|
| 414 | N | 45.3 | Very low | 41.1 | Very low | 122 Ų | 122 | 91 Ų | 91 | 65% | 0.652 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -102 | 15.5 | -176.6 | -70.2 | 7.1 | 0 | 0 | 0 | 114.1 | M412 N416 | M412-N414 PolarHBondContact O-N 3.25Å; M412-N414 VanDerWaalsContact O-N 3.12Å; N414-N416 PolarHBondContact O-N 3.45Å |
| 415 | N | 49.8 | Very low | 41.2 | Very low | 42 Ų | 42 | 88.8 Ų | 88.8 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | trans | -80.3 | 107.9 | 174.1 | -178 | 0.5 | 0 | 0 | 0 | 111.3 | I389 M412 C417 | I389-N415 VanDerWaalsContact CG2-ND2 3.29Å; I389-N415 WeakPolarHBondContact CG2-ND2 3.43Å; M412-N415 PolarHBondContact O-N 3.47Å; N415-C417 PolarHBondContact O-N 3.21Å; N415-C417 VanDerWaalsContact O-N 3.09Å; N415-C417 VanDerWaalsContact OD1-CB 3.23Å; N415-C417 WeakPolarHBondContact OD1-CB 3.29Å; N415-C417 PolarHBondContact OD1-N 2.92Å; N415-C417 PolarHBondContact OD1-SG 3.27Å | ||
| 416 | N | 57.5 | Low | 41.4 | Very low | 156 Ų | 156 | 87.8 Ų | 87.8 | 83% | 0.834 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.2 | 177.4 | -72.6 | -21.3 | 0 | 0 | 0 | 114.5 | N414 N418 | N414-N416 PolarHBondContact O-N 3.45Å; N416-N418 VanDerWaalsContact C-N 3.29Å; N416-N418 PolarHBondContact O-N 2.93Å |
| 417 | C | 58.9 | Low | 41.5 | Very low | 18 Ų | 18 | 91 Ų | 91 | 12% | 0.122 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.9 | -175.2 | -55.5 | 0 | 0 | 0 | 0 | 115 | C363 I389 N415 K419 | C363-C417 HydrophobicContact CB-CB 3.64Å; C363-C417 WeakPolarHBondContact CB-SG 3.35Å; C363-C417 WeakPolarHBondContact SG-CA 3.27Å; C363-C417 WeakPolarHBondContact SG-CB 3.38Å; C363-C417 CovalentContact SG-SG 2.03Å; C363-C417 PolarHBondContact SG-SG 3.04Å; I389-C417 HydrophobicContact CG1-CB 4.24Å; N415-C417 PolarHBondContact O-N 3.21Å; N415-C417 VanDerWaalsContact O-N 3.09Å; N415-C417 VanDerWaalsContact OD1-CB 3.23Å; N415-C417 WeakPolarHBondContact OD1-CB 3.29Å; N415-C417 PolarHBondContact OD1-N 2.92Å; N415-C417 PolarHBondContact OD1-SG 3.27Å; C417-K419 VanDerWaalsContact O-CG 3.29Å; C417-K419 WeakPolarHBondContact O-CG 3.45Å; C417-K419 PolarHBondContact O-N 3.03Å |
| 418 | N | 58.1 | Low | 41.5 | Very low | 164 Ų | 164 | 89.4 Ų | 89.4 | 88% | 0.877 | 45% | 0.452 | S | S | * | . | trans | 52.1 | 25.6 | 177.9 | -145.1 | 12.5 | 0 | 0 | 0 | 115.1 | N416 | N416-N418 VanDerWaalsContact C-N 3.29Å; N416-N418 PolarHBondContact O-N 2.93Å | ||
| 419 | K | 47 | Very low | 41.4 | Very low | 71 Ų | 71 | 93.2 Ų | 93.2 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | trans | -105.7 | 141.2 | -179.5 | -62.4 | -149.1 | -175.7 | -170.4 | 0 | 112.2 | T365 D387 C417 L421 | T365-K419 PolarHBondContact OG1-NZ 3.16Å; D387-K419 HydrophobicContact CB-CD 3.94Å; D387-K419 VanDerWaalsContact CG-CD 3.48Å; D387-K419 VanDerWaalsContact CG-NZ 3.28Å; D387-K419 IonicContact OD1-NZ 3.3Å; D387-K419 PolarHBondContact OD1-NZ 2.78Å; D387-K419 WeakPolarHBondContact OD2-CD 3.21Å; D387-K419 IonicContact OD2-NZ 2.66Å; C417-K419 VanDerWaalsContact O-CG 3.29Å; C417-K419 WeakPolarHBondContact O-CG 3.45Å; C417-K419 PolarHBondContact O-N 3.03Å; K419-L421 PolarHBondContact O-N 3.3Å | ||
| 420 | T | 39.7 | Very low | 41.2 | Very low | 145 Ų | 145 | 96.4 Ų | 96.4 | 89% | 0.89 | 48% | 0.477 | S | S | * | . | trans | -79 | 103.9 | 176.3 | 29.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 421 | L | 38.9 | Very low | 40.8 | Very low | 45 Ų | 45 | 99 Ų | 99 | 24% | 0.236 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 135.7 | 168 | -82.8 | 161.4 | 0 | 0 | 0 | 111.4 | I389 M392 M412 K419 I424 | I389-L421 HydrophobicContact CD1-CD1 3.55Å; I389-L421 HydrophobicContact CD1-CD2 3.91Å; I389-L421 HydrophobicContact CD1-CG 3.61Å; M392-L421 HydrophobicContact CE-CD1 3.53Å; M392-L421 HydrophobicContact CE-CD2 3.47Å; M392-L421 VanDerWaalsContact CE-CD2 3.47Å; M392-L421 HydrophobicContact CE-CG 4.15Å; M412-L421 HydrophobicContact CE-CB 4.08Å; M412-L421 HydrophobicContact CE-CD1 3.79Å; M412-L421 HydrophobicContact CE-CG 4.4Å; M412-L421 HydrophobicContact SD-CB 4.41Å; M412-L421 HydrophobicContact SD-CD1 4.02Å; K419-L421 PolarHBondContact O-N 3.3Å; L421-I424 HydrophobicContact CD2-CD1 4.19Å |
| 422 | N | 32.1 | Very low | 40.3 | Very low | 100 Ų | 100 | 98.5 Ų | 98.5 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 149.8 | 160.3 | -73.3 | -34.9 | 0 | 0 | 0 | 109.5 | I424 L439 | N422-I424 PolarHBondContact O-N 3.18Å; N422-L439 HydrophobicContact CB-CD2 3.6Å |
| 423 | T | 31.3 | Very low | 39.7 | Very low | 116 Ų | 116 | 99.8 Ų | 99.8 | 71% | 0.712 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 124.1 | -174.6 | -50.6 | 0 | 0 | 0 | 0 | 113.1 | I425 | T423-I425 HydrophobicContact CG2-CG1 4.41Š|
| 424 | I | 34 | Very low | 39.3 | Very low | 18 Ų | 18 | 94 Ų | 94 | 9% | 0.092 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -101 | 128.2 | 172.4 | -68.6 | 174.3 | 0 | 0 | 0 | 108.9 | M392 W410 L421 N422 F426 M436 L439 | M392-I424 HydrophobicContact CE-CD1 3.39Å; M392-I424 HydrophobicContact SD-CD1 4.08Å; W410-I424 HydrophobicContact CE3-CB 4.45Å; W410-I424 HydrophobicContact CH2-CB 4.02Å; W410-I424 HydrophobicContact CH2-CD1 3.54Å; W410-I424 HydrophobicContact CH2-CG1 4.3Å; W410-I424 HydrophobicContact CH2-CG2 4.1Å; W410-I424 HydrophobicContact CZ3-CB 3.57Å; W410-I424 HydrophobicContact CZ3-CD1 3.65Å; W410-I424 HydrophobicContact CZ3-CG1 4.01Å; W410-I424 HydrophobicContact CZ3-CG2 4.09Å; L421-I424 HydrophobicContact CD2-CD1 4.19Å; N422-I424 PolarHBondContact O-N 3.18Å; I424-F426 HydrophobicContact CB-CE2 4.44Å; I424-F426 HydrophobicContact CG2-CD2 4.17Å; I424-F426 HydrophobicContact CG2-CE1 4.44Å; I424-F426 HydrophobicContact CG2-CE2 3.63Å; I424-F426 HydrophobicContact CG2-CZ 3.78Å; I424-M436 HydrophobicContact CD1-SD 4.45Å; I424-M436 HydrophobicContact CG2-CE 4.23Å; I424-M436 HydrophobicContact CG2-CG 3.32Å; I424-M436 HydrophobicContact CG2-SD 3.71Å; I424-L439 HydrophobicContact CD1-CD1 4.23Å; I424-L439 HydrophobicContact CG1-CD1 4.29Å; I424-L439 HydrophobicContact CG1-CD2 4.26Å; I424-L439 HydrophobicContact CG1-CG 4.21Å |
| 425 | I | 33.5 | Very low | 38.8 | Very low | 93 Ų | 93 | 91.5 Ų | 91.5 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.7 | -176.8 | -59.5 | 175.2 | 0 | 0 | 0 | 108.2 | T423 L437 | T423-I425 HydrophobicContact CG2-CG1 4.41Å; I425-L437 HydrophobicContact CB-CB 4.4Å; I425-L437 HydrophobicContact CG2-CD1 4.32Å; I425-L437 WeakPolarHBondContact O-CB 3.34Å; I425-L437 PolarHBondContact O-N 2.96Å |
| 426 | F | 34.8 | Very low | 38 | Very low | 33 Ų | 33 | 90.6 Ų | 90.6 | 15% | 0.145 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133 | 174.2 | -66.4 | -88.3 | 0 | 0 | 0 | 110.3 | F393 I396 L408 W410 I424 L434 M436 | F393-F426 HydrophobicContact CD1-CE1 4.48Å; F393-F426 HydrophobicContact CE1-CE1 4.32Å; I396-F426 HydrophobicContact CD1-CD1 4.48Å; I396-F426 HydrophobicContact CD1-CE1 3.75Å; I396-F426 HydrophobicContact CD1-CE2 4.22Å; I396-F426 HydrophobicContact CD1-CZ 3.6Å; I396-F426 HydrophobicContact CG1-CZ 4.34Å; L408-F426 HydrophobicContact CD1-CB 4Å; W410-F426 HydrophobicContact CD2-CE2 4.12Å; W410-F426 HydrophobicContact CE3-CE2 4.18Å; W410-F426 HydrophobicContact CH2-CE2 4.04Å; W410-F426 AromaticContact CH2-CZ 3.95Å; W410-F426 HydrophobicContact CH2-CZ 3.95Å; W410-F426 AromaticContact CZ2-CE2 3.97Å; W410-F426 HydrophobicContact CZ2-CE2 3.97Å; W410-F426 AromaticContact CZ2-CZ 3.72Å; W410-F426 HydrophobicContact CZ2-CZ 3.72Å; W410-F426 HydrophobicContact CZ3-CE2 4.19Å; I424-F426 HydrophobicContact CB-CE2 4.44Å; I424-F426 HydrophobicContact CG2-CD2 4.17Å; I424-F426 HydrophobicContact CG2-CE1 4.44Å; I424-F426 HydrophobicContact CG2-CE2 3.63Å; I424-F426 HydrophobicContact CG2-CZ 3.78Å; F426-L434 HydrophobicContact CB-CD2 4.14Å; F426-M436 HydrophobicContact CD1-CB 4Å; F426-M436 HydrophobicContact CD1-CG 4.28Å; F426-M436 HydrophobicContact CE1-CB 3.86Å; F426-M436 HydrophobicContact CE1-CE 4.38Å; F426-M436 HydrophobicContact CE1-CG 3.95Å; F426-M436 HydrophobicContact CZ-CE 4.43Å; F426-M436 HydrophobicContact CZ-CG 4.34Å |
| 427 | R | 36.4 | Very low | 36.9 | Very low | 103 Ų | 103 | 86.4 Ų | 86.4 | 39% | 0.389 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.1 | 172.2 | -177.1 | -178.3 | -173 | 170.8 | 5.9 | 109.3 | E435 L437 L459 | R427-E435 HydrophobicContact CB-CB 4.48Å; R427-E435 PolarHBondContact N-O 2.92Å; R427-E435 PolarHBondContact O-N 3.16Å; R427-L437 HydrophobicContact CB-CD1 4.09Å; R427-L437 HydrophobicContact CB-CG 4.42Å; R427-L459 PolarHBondContact NH1-O 2.87Å |
| 428 | L | 32 | Very low | 35.7 | Very low | 68 Ų | 68 | 91 Ų | 91 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.5 | 167.4 | -156.4 | 84.8 | 0 | 0 | 0 | 109.4 | G432 L434 | L428-G432 WeakPolarHBondContact CD1-O 3.41Å; L428-L434 HydrophobicContact CD1-CD2 3.61Å; L428-L434 HydrophobicContact CD1-CG 4.19Å |
| 429 | R | 34.7 | Very low | 34.3 | Very low | 126 Ų | 126 | 85.7 Ų | 85.7 | 48% | 0.475 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 158.5 | 170.7 | -68.3 | -175.5 | 170.5 | -172.1 | 0.4 | 110.2 | T431 G432 N433 E435 | R429-T431 PolarHBondContact O-N 3.45Å; R429-G432 PolarHBondContact O-N 3.08Å; R429-N433 WeakPolarHBondContact CB-O 3.35Å; R429-N433 PolarHBondContact N-O 3.06Å; R429-E435 IonicContact CZ-OE1 3.53Å; R429-E435 IonicContact CZ-OE2 3.31Å; R429-E435 VanDerWaalsContact CZ-OE2 3.31Å; R429-E435 IonicContact NE-OE1 3.45Å; R429-E435 IonicContact NE-OE2 2.78Å; R429-E435 PolarHBondContact NE-OE2 3.38Å; R429-E435 IonicContact NH2-OE1 2.74Å; R429-E435 PolarHBondContact NH2-OE1 3.15Å; R429-E435 IonicContact NH2-OE2 3.02Å; R429-E435 PolarHBondContact NH2-OE2 3.38Å |
| 430 | K | 33 | Very low | 33.4 | Very low | 222 Ų | 222 | 90.9 Ų | 90.9 | 97% | 0.965 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -11 | 171.6 | -77.4 | -172.2 | 174 | -176 | 0 | 114.1 | ||
| 431 | T | 35.4 | Very low | 32.7 | Very low | 110 Ų | 110 | 91.8 Ų | 91.8 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.2 | 176.3 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | R429 | R429-T431 PolarHBondContact O-N 3.45Š|
| 432 | G | 30.4 | Very low | 32 | Very low | 47 Ų | 47 | 94.1 Ų | 94.1 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 89.4 | -15.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L428 R429 | L428-G432 WeakPolarHBondContact CD1-O 3.41Å; R429-G432 PolarHBondContact O-N 3.08Å |
| 433 | N | 31.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 94.4 Ų | 94.4 | 57% | 0.572 | 49% | 0.493 | S | S | * | . | trans | -77.2 | 146.9 | -177.7 | -66.2 | 0.5 | 0 | 0 | 0 | 112.6 | R429 | R429-N433 WeakPolarHBondContact CB-O 3.35Å; R429-N433 PolarHBondContact N-O 3.06Å | ||
| 434 | L | 31.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 94.6 Ų | 94.6 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 141.8 | 177.4 | -68.4 | 165.9 | 0 | 0 | 0 | 112.2 | I396 L408 F426 L428 | I396-L434 HydrophobicContact CG2-CD1 4.01Å; L408-L434 HydrophobicContact CD1-CD2 3.35Å; L408-L434 HydrophobicContact CD2-CD1 3.67Å; L408-L434 HydrophobicContact CD2-CD2 3.47Å; L408-L434 VanDerWaalsContact CD2-CD2 3.47Å; L408-L434 HydrophobicContact CD2-CG 4.22Å; L408-L434 HydrophobicContact CG-CD2 4.02Å; F426-L434 HydrophobicContact CB-CD2 4.14Å; L428-L434 HydrophobicContact CD1-CD2 3.61Å; L428-L434 HydrophobicContact CD1-CG 4.19Å |
| 435 | E | 33.7 | Very low | 30.5 | Very low | 68 Ų | 68 | 98.7 Ų | 98.7 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 116.9 | 178 | 177.2 | 167.3 | -148.1 | 0 | 0 | 109.9 | R427 R429 | R427-E435 HydrophobicContact CB-CB 4.48Å; R427-E435 PolarHBondContact N-O 2.92Å; R427-E435 PolarHBondContact O-N 3.16Å; R429-E435 IonicContact CZ-OE1 3.53Å; R429-E435 IonicContact CZ-OE2 3.31Å; R429-E435 VanDerWaalsContact CZ-OE2 3.31Å; R429-E435 IonicContact NE-OE1 3.45Å; R429-E435 IonicContact NE-OE2 2.78Å; R429-E435 PolarHBondContact NE-OE2 3.38Å; R429-E435 IonicContact NH2-OE1 2.74Å; R429-E435 PolarHBondContact NH2-OE1 3.15Å; R429-E435 IonicContact NH2-OE2 3.02Å; R429-E435 PolarHBondContact NH2-OE2 3.38Å |
| 436 | M | 34.1 | Very low | 29.8 | Very low | 24 Ų | 24 | 106.6 Ų | 106.6 | 12% | 0.118 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.4 | -177.7 | -168.3 | -151.8 | -69.9 | 0 | 0 | 111.6 | K311 M392 F393 I424 F426 | K311-M436 WeakPolarHBondContact CE-SD 3.45Å; K311-M436 PolarHBondContact NZ-O 3.17Å; M392-M436 HydrophobicContact SD-CE 4.32Å; F393-M436 HydrophobicContact CE1-CE 3.36Å; F393-M436 HydrophobicContact CZ-CE 3.35Å; I424-M436 HydrophobicContact CD1-SD 4.45Å; I424-M436 HydrophobicContact CG2-CE 4.23Å; I424-M436 HydrophobicContact CG2-CG 3.32Å; I424-M436 HydrophobicContact CG2-SD 3.71Å; F426-M436 HydrophobicContact CD1-CB 4Å; F426-M436 HydrophobicContact CD1-CG 4.28Å; F426-M436 HydrophobicContact CE1-CB 3.86Å; F426-M436 HydrophobicContact CE1-CE 4.38Å; F426-M436 HydrophobicContact CE1-CG 3.95Å; F426-M436 HydrophobicContact CZ-CE 4.43Å; F426-M436 HydrophobicContact CZ-CG 4.34Å |
| 437 | L | 34.1 | Very low | 29.2 | Very low | 68 Ų | 68 | 113.3 Ų | 113.3 | 36% | 0.356 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 154 | 172.7 | -64.6 | 171.7 | 0 | 0 | 0 | 111.4 | I425 R427 | I425-L437 HydrophobicContact CB-CB 4.4Å; I425-L437 HydrophobicContact CG2-CD1 4.32Å; I425-L437 WeakPolarHBondContact O-CB 3.34Å; I425-L437 PolarHBondContact O-N 2.96Å; R427-L437 HydrophobicContact CB-CD1 4.09Å; R427-L437 HydrophobicContact CB-CG 4.42Å |
| 438 | L | 33.3 | Very low | 28.4 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 154.4 | -157 | -133.1 | 91.3 | 0 | 0 | 0 | 116.1 | K311 | K311-L438 HydrophobicContact CD-CD1 4Š|
| 439 | L | 29.3 | Very low | 28 | Very low | 54 Ų | 54 | 117.6 Ų | 117.6 | 28% | 0.283 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -84 | 120.5 | 164.3 | -77.1 | 150.4 | 0 | 0 | 0 | 110.6 | N422 I424 | N422-L439 HydrophobicContact CB-CD2 3.6Å; I424-L439 HydrophobicContact CD1-CD1 4.23Å; I424-L439 HydrophobicContact CG1-CD1 4.29Å; I424-L439 HydrophobicContact CG1-CD2 4.26Å; I424-L439 HydrophobicContact CG1-CG 4.21Å |
| 440 | E | 28.7 | Very low | 27.4 | Very low | 180 Ų | 180 | 115.7 Ų | 115.7 | 84% | 0.841 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 124 | 159.5 | -86.7 | -165.8 | 149.3 | 0 | 0 | 110.3 | A442 | E440-A442 PolarHBondContact O-N 3.27Å; E440-A442 VanDerWaalsContact O-N 3.17Å |
| 441 | R | 24.9 | Very low | 27 | Very low | 164 Ų | 164 | 115.3 Ų | 115.3 | 62% | 0.619 | 63% | 0.63 | S | S | * | * | trans | -79 | 100.1 | 171.4 | -147.7 | 179.7 | -164.1 | -173.6 | 8.4 | 108.4 | S443 | R441-S443 PolarHBondContact O-N 2.8Š| ||
| 442 | A | 24.2 | Very low | 26.4 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | trans | -56.2 | 118.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E440 | E440-A442 PolarHBondContact O-N 3.27Å; E440-A442 VanDerWaalsContact O-N 3.17Å | ||
| 443 | S | 21.8 | Very low | 26.1 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | trans | -125.3 | 118.9 | 159.6 | 64 | 0 | 0 | 0 | 0 | 109.7 | R441 | R441-S443 PolarHBondContact O-N 2.8Š| ||
| 444 | S | 21.3 | Very low | 25.7 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 77.2 | 35.9 | 170.6 | 77.1 | 0 | 0 | 0 | 0 | 121.1 | ||
| 445 | T | 21.2 | Very low | 25.3 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 64% | 0.638 | 67% | 0.666 | S | S | * | * | trans | -145.7 | 118.6 | 146.6 | 8.5 | 0 | 0 | 0 | 0 | 111.7 | M447 | T445-M447 PolarHBondContact O-N 3.03Š| ||
| 446 | R | 19.5 | Very low | 24.8 | Very low | 259 Ų | 259 | 131.7 Ų | 131.7 | 98% | 0.977 | 69% | 0.693 | S | S | * | * | trans | -66.3 | 119.3 | 167.6 | -77.7 | -179.3 | 173 | 179.6 | -3.1 | 108.2 | ||||
| 447 | M | 21.8 | Very low | 24.4 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | trans | -123.2 | 110.2 | 166.3 | -147.9 | 167 | 66.7 | 0 | 0 | 108.4 | T445 I449 | T445-M447 PolarHBondContact O-N 3.03Å; M447-I449 PolarHBondContact O-N 3.04Å | ||
| 448 | A | 20.7 | Very low | 23.8 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -72.5 | 123.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S450 | A448-S450 PolarHBondContact O-N 2.73Š| ||
| 449 | I | 23 | Very low | 23.5 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -83.7 | 101.9 | 173.1 | -58.5 | 173.9 | 0 | 0 | 0 | 107.4 | M447 | M447-I449 PolarHBondContact O-N 3.04Š| ||
| 450 | S | 22.9 | Very low | 23.2 | Very low | 85 Ų | 85 | 147 Ų | 147 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | trans | -79 | 150.4 | 160.8 | 75.3 | 0 | 0 | 0 | 0 | 109.5 | A448 E452 | A448-S450 PolarHBondContact O-N 2.73Å; S450-E452 PolarHBondContact O-N 2.84Å | ||
| 451 | K | 24.1 | Very low | 23.1 | Very low | 215 Ų | 215 | 142.7 Ų | 142.7 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 6.9 | -166.3 | -78.6 | -177.2 | 172.1 | 178.4 | 0 | 116.1 | ||
| 452 | E | 22.7 | Very low | 23.4 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | 0.9 | -155.8 | -68.1 | -170.5 | 145.8 | 0 | 0 | 118 | S450 | S450-E452 PolarHBondContact O-N 2.84Š|
| 453 | N | 24.4 | Very low | 23.8 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | trans | -126.7 | 113.5 | -178.5 | -78.8 | -69.9 | 0 | 0 | 0 | 114.7 | H505 | N453-H505 PolarHBondContact OD1-CE1 2.92Š| ||
| 454 | K | 23.4 | Very low | 24.3 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -79.9 | 141.3 | 166.1 | -61.8 | -170.1 | 179.7 | -170 | 0 | 109.8 | E407 | E407-K454 IonicContact OE1-NZ 3.77Å; E407-K454 PolarHBondContact OE1-NZ 2.82Å | ||
| 455 | S | 23 | Very low | 24.9 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | -154.7 | 129.7 | 173.1 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 456 | E | 22.6 | Very low | 25.6 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | -95.7 | 157.1 | 173.9 | -68.9 | -177.3 | 127.3 | 0 | 0 | 111.9 | ||||
| 457 | F | 24.9 | Very low | 26.3 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 77% | 0.768 | 68% | 0.682 | S | S | * | * | trans | -122.1 | 143.2 | 175.7 | -67.9 | -89.7 | 0 | 0 | 0 | 111.9 | ||||
| 458 | I | 22.7 | Very low | 26.9 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 82% | 0.815 | 67% | 0.67 | S | S | * | * | trans | -108 | 127.8 | 178.8 | -58.9 | 174.9 | 0 | 0 | 0 | 109.8 | ||||
| 459 | L | 25.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | trans | -131.7 | 135.6 | 169 | -90.1 | 158.5 | 0 | 0 | 0 | 110.8 | R427 | R427-L459 PolarHBondContact NH1-O 2.87Š| ||
| 460 | S | 24.4 | Very low | 28.2 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 85% | 0.853 | 63% | 0.63 | S | S | * | * | trans | -83.1 | 148.3 | -179.8 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 461 | A | 25.6 | Very low | 28.8 | Very low | 90 Ų | 90 | 116 Ų | 116 | 74% | 0.744 | 61% | 0.61 | S | S | * | * | trans | -112.9 | 156.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 462 | Y | 31.3 | Very low | 29.1 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 49% | 0.486 | 60% | 0.596 | S | S | . | * | trans | -83.9 | 134.1 | 173.5 | 174.2 | -143.2 | 0 | 0 | 0 | 111 | Y476 | Y462-Y476 WeakPolarHBondContact CA-OH 3.44Å; Y462-Y476 AromaticContact CD2-CD1 3.7Å; Y462-Y476 HydrophobicContact CD2-CD1 3.7Å; Y462-Y476 AromaticContact CD2-CD2 3.9Å; Y462-Y476 HydrophobicContact CD2-CD2 3.9Å; Y462-Y476 AromaticContact CD2-CE1 3.35Å; Y462-Y476 HydrophobicContact CD2-CE1 3.35Å; Y462-Y476 AromaticContact CD2-CE2 3.53Å; Y462-Y476 HydrophobicContact CD2-CE2 3.53Å; Y462-Y476 AromaticContact CD2-CG 3.99Å; Y462-Y476 HydrophobicContact CD2-CG 3.99Å; Y462-Y476 AromaticContact CD2-CZ 3.28Å; Y462-Y476 AromaticContact CE2-CD1 3.99Å; Y462-Y476 HydrophobicContact CE2-CD1 3.99Å; Y462-Y476 AromaticContact CE2-CD2 3.75Å; Y462-Y476 HydrophobicContact CE2-CD2 3.75Å; Y462-Y476 HydrophobicContact CE2-CE1 4.09Å; Y462-Y476 AromaticContact CE2-CE2 3.82Å; Y462-Y476 HydrophobicContact CE2-CE2 3.82Å; Y462-Y476 AromaticContact CE2-CG 3.86Å; Y462-Y476 HydrophobicContact CE2-CG 3.86Å; Y462-Y476 HydrophobicContact CG-CD1 4.15Å; Y462-Y476 AromaticContact CG-CE1 3.73Å; Y462-Y476 HydrophobicContact CG-CE1 3.73Å | ||
| 463 | D | 32.9 | Very low | 29.4 | Very low | 61 Ų | 61 | 109.7 Ų | 109.7 | 33% | 0.326 | 58% | 0.582 | S | S | . | * | trans | -105.3 | 109 | 171.2 | -176.8 | 0.3 | 0 | 0 | 0 | 110.8 | Q465 L466 | D463-Q465 VanDerWaalsContact C-N 3.28Å; D463-Q465 PolarHBondContact O-N 2.88Å; D463-Q465 WeakPolarHBondContact OD1-CB 3.41Å; D463-Q465 PolarHBondContact OD1-N 3.42Å; D463-L466 HydrophobicContact CB-CD1 4.09Å; D463-L466 HydrophobicContact CB-CG 4.28Å | ||
| 464 | P | 32.5 | Very low | 29.6 | Very low | 88 Ų | 88 | 108.8 Ų | 108.8 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -7.9 | 178.3 | 30.8 | -34.5 | 0 | 0 | 0 | 114.4 | L466 | P464-L466 VanDerWaalsContact C-N 3.29Š|
| 465 | Q | 32.8 | Very low | 29.8 | Very low | 144 Ų | 144 | 101.8 Ų | 101.8 | 67% | 0.673 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -3.7 | 176.9 | -60.4 | -166.8 | 9.4 | 0 | 0 | 113.7 | D463 | D463-Q465 VanDerWaalsContact C-N 3.28Å; D463-Q465 PolarHBondContact O-N 2.88Å; D463-Q465 WeakPolarHBondContact OD1-CB 3.41Å; D463-Q465 PolarHBondContact OD1-N 3.42Å |
| 466 | L | 36.2 | Very low | 30 | Very low | 26 Ų | 26 | 101.8 Ų | 101.8 | 14% | 0.136 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -71.2 | 137.2 | 176.1 | -73.8 | 168.8 | 0 | 0 | 0 | 111.9 | D463 P464 A470 K471 L474 | D463-L466 HydrophobicContact CB-CD1 4.09Å; D463-L466 HydrophobicContact CB-CG 4.28Å; P464-L466 VanDerWaalsContact C-N 3.29Å; L466-A470 HydrophobicContact CB-CB 4.15Å; L466-A470 HydrophobicContact CD2-CB 4.06Å; L466-K471 HydrophobicContact CB-CG 4.2Å; L466-K471 WeakPolarHBondContact O-CE 3.46Å; L466-K471 PolarHBondContact O-NZ 3.08Å; L466-L474 HydrophobicContact CD1-CD1 3.47Å; L466-L474 VanDerWaalsContact CD1-CD1 3.47Å |
| 467 | P | 34.3 | Very low | 30.1 | Very low | 81 Ų | 81 | 99 Ų | 99 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | trans | -56.4 | 150.3 | 169.7 | -24 | 33.7 | 0 | 0 | 0 | 111.9 | S469 A470 K471 | P467-S469 PolarHBondContact O-N 2.85Å; P467-A470 WeakPolarHBondContact O-CA 3.35Å; P467-A470 WeakPolarHBondContact O-CB 3.27Å; P467-A470 PolarHBondContact O-N 2.91Å; P467-K471 PolarHBondContact O-N 3.09Å | ||
| 468 | E | 35.4 | Very low | 30 | Very low | 132 Ų | 132 | 93.8 Ų | 93.8 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -48.2 | -38 | 178.1 | -95.2 | 49.7 | -132.5 | 0 | 0 | 113.4 | A470 K471 H472 | E468-A470 PolarHBondContact O-N 2.99Å; E468-K471 VanDerWaalsContact CD-NZ 3.34Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-K471 WeakPolarHBondContact OE1-CD 3.42Å; E468-K471 IonicContact OE1-NZ 2.76Å; E468-K471 PolarHBondContact OE1-NZ 3.27Å; E468-K471 IonicContact OE2-NZ 3.98Å; E468-K471 PolarHBondContact OE2-NZ 2.79Å; E468-H472 PolarHBondContact O-N 2.88Å |
| 469 | S | 36.8 | Very low | 30 | Very low | 87 Ų | 87 | 93.2 Ų | 93.2 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -21.7 | 176.9 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | P467 K473 | P467-S469 PolarHBondContact O-N 2.85Å; S469-K473 WeakPolarHBondContact O-CG 3.48Å |
| 470 | A | 34 | Very low | 29.9 | Very low | 25 Ų | 25 | 92.1 Ų | 92.1 | 21% | 0.207 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -94.8 | -36.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L466 P467 E468 H472 K473 L474 | L466-A470 HydrophobicContact CB-CB 4.15Å; L466-A470 HydrophobicContact CD2-CB 4.06Å; P467-A470 WeakPolarHBondContact O-CA 3.35Å; P467-A470 WeakPolarHBondContact O-CB 3.27Å; P467-A470 PolarHBondContact O-N 2.91Å; E468-A470 PolarHBondContact O-N 2.99Å; A470-H472 VanDerWaalsContact C-N 3.25Å; A470-H472 PolarHBondContact O-N 2.85Å; A470-K473 PolarHBondContact O-N 3.14Å; A470-K473 VanDerWaalsContact O-N 3.1Å; A470-L474 PolarHBondContact O-N 2.93Å |
| 471 | K | 34.4 | Very low | 29.9 | Very low | 40 Ų | 40 | 90.6 Ų | 90.6 | 17% | 0.174 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -55.8 | -42 | 170.9 | -66.6 | 174.7 | 179.7 | 130.1 | 0 | 111.4 | L466 P467 E468 K473 L474 | L466-K471 HydrophobicContact CB-CG 4.2Å; L466-K471 WeakPolarHBondContact O-CE 3.46Å; L466-K471 PolarHBondContact O-NZ 3.08Å; P467-K471 PolarHBondContact O-N 3.09Å; E468-K471 VanDerWaalsContact CD-NZ 3.34Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-K471 WeakPolarHBondContact OE1-CD 3.42Å; E468-K471 IonicContact OE1-NZ 2.76Å; E468-K471 PolarHBondContact OE1-NZ 3.27Å; E468-K471 IonicContact OE2-NZ 3.98Å; E468-K471 PolarHBondContact OE2-NZ 2.79Å; K471-K473 VanDerWaalsContact C-N 3.33Å; K471-K473 PolarHBondContact O-N 2.71Å; K471-L474 PolarHBondContact O-N 2.8Å |
| 472 | H | 31.2 | Very low | 29.8 | Very low | 139 Ų | 139 | 93.5 Ų | 93.5 | 64% | 0.644 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.6 | 178.3 | -125.3 | -69.8 | 0 | 0 | 0 | 114.4 | E468 A470 | E468-H472 PolarHBondContact O-N 2.88Å; A470-H472 VanDerWaalsContact C-N 3.25Å; A470-H472 PolarHBondContact O-N 2.85Å |
| 473 | K | 29.8 | Very low | 29.4 | Very low | 112 Ų | 112 | 94.9 Ų | 94.9 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -22.4 | 175.4 | -75 | 177.7 | 178.7 | -178.1 | 0 | 113.1 | S469 A470 K471 G567 K568 P569 | S469-K473 WeakPolarHBondContact O-CG 3.48Å; A470-K473 PolarHBondContact O-N 3.14Å; A470-K473 VanDerWaalsContact O-N 3.1Å; K471-K473 VanDerWaalsContact C-N 3.33Å; K471-K473 PolarHBondContact O-N 2.71Å; K473-G567 WeakPolarHBondContact CB-O 3.44Å; K473-K568 HydrophobicContact CG-CG 4.43Å; K473-P569 WeakPolarHBondContact O-CD 3.35Å |
| 474 | L | 28.1 | Very low | 28.8 | Very low | 92 Ų | 92 | 100.6 Ų | 100.6 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.4 | -178.8 | -68.4 | 171.4 | 0 | 0 | 0 | 114.3 | L466 A470 K471 Y476 | L466-L474 HydrophobicContact CD1-CD1 3.47Å; L466-L474 VanDerWaalsContact CD1-CD1 3.47Å; A470-L474 PolarHBondContact O-N 2.93Å; K471-L474 PolarHBondContact O-N 2.8Å; L474-Y476 HydrophobicContact CB-CD2 3.85Å; L474-Y476 HydrophobicContact CB-CE2 3.47Å; L474-Y476 VanDerWaalsContact CB-CE2 3.47Å; L474-Y476 HydrophobicContact CD1-CE2 3.93Å; L474-Y476 HydrophobicContact CG-CE2 4.37Å |
| 475 | G | 27.2 | Very low | 28.3 | Very low | 25 Ų | 25 | 104.5 Ų | 104.5 | 26% | 0.258 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 74.3 | 31.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F477 | G475-F477 VanDerWaalsContact C-N 3.29Å; G475-F477 WeakPolarHBondContact O-CD2 3.43Å; G475-F477 PolarHBondContact O-N 2.79Å |
| 476 | Y | 26.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 106.9 Ų | 106.9 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | trans | -70.5 | 79 | 176.2 | -71.9 | -68.5 | 0 | 0 | 0 | 113 | Y462 L474 G478 | Y462-Y476 WeakPolarHBondContact CA-OH 3.44Å; Y462-Y476 AromaticContact CD2-CD1 3.7Å; Y462-Y476 HydrophobicContact CD2-CD1 3.7Å; Y462-Y476 AromaticContact CD2-CD2 3.9Å; Y462-Y476 HydrophobicContact CD2-CD2 3.9Å; Y462-Y476 AromaticContact CD2-CE1 3.35Å; Y462-Y476 HydrophobicContact CD2-CE1 3.35Å; Y462-Y476 AromaticContact CD2-CE2 3.53Å; Y462-Y476 HydrophobicContact CD2-CE2 3.53Å; Y462-Y476 AromaticContact CD2-CG 3.99Å; Y462-Y476 HydrophobicContact CD2-CG 3.99Å; Y462-Y476 AromaticContact CD2-CZ 3.28Å; Y462-Y476 AromaticContact CE2-CD1 3.99Å; Y462-Y476 HydrophobicContact CE2-CD1 3.99Å; Y462-Y476 AromaticContact CE2-CD2 3.75Å; Y462-Y476 HydrophobicContact CE2-CD2 3.75Å; Y462-Y476 HydrophobicContact CE2-CE1 4.09Å; Y462-Y476 AromaticContact CE2-CE2 3.82Å; Y462-Y476 HydrophobicContact CE2-CE2 3.82Å; Y462-Y476 AromaticContact CE2-CG 3.86Å; Y462-Y476 HydrophobicContact CE2-CG 3.86Å; Y462-Y476 HydrophobicContact CG-CD1 4.15Å; Y462-Y476 AromaticContact CG-CE1 3.73Å; Y462-Y476 HydrophobicContact CG-CE1 3.73Å; L474-Y476 HydrophobicContact CB-CD2 3.85Å; L474-Y476 HydrophobicContact CB-CE2 3.47Å; L474-Y476 VanDerWaalsContact CB-CE2 3.47Å; L474-Y476 HydrophobicContact CD1-CE2 3.93Å; L474-Y476 HydrophobicContact CG-CE2 4.37Å; Y476-G478 PolarHBondContact O-N 2.85Å | ||
| 477 | F | 25.1 | Very low | 27.3 | Very low | 133 Ų | 133 | 110.5 Ų | 110.5 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | trans | -94.4 | 80.3 | 171.8 | -69.9 | -78.7 | 0 | 0 | 0 | 111.4 | G475 | G475-F477 VanDerWaalsContact C-N 3.29Å; G475-F477 WeakPolarHBondContact O-CD2 3.43Å; G475-F477 PolarHBondContact O-N 2.79Å | ||
| 478 | G | 22.7 | Very low | 26.7 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 68% | 0.68 | 61% | 0.609 | S | S | * | * | trans | 49.3 | 92.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | Y476 | Y476-G478 PolarHBondContact O-N 2.85Š| ||
| 479 | I | 23.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 76% | 0.759 | 61% | 0.614 | S | S | * | * | -136.9 | 117.3 | 125.2 | -57.4 | -176.9 | 0 | 0 | 0 | 106.9 | |||||
| 480 | P | 23.6 | Very low | 25.4 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | trans | -89.1 | 128.9 | 176.4 | 33.3 | -30.3 | 0 | 0 | 0 | 111.2 | ||||
| 481 | T | 24.8 | Very low | 24.8 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | trans | -139.9 | 114.6 | 150.3 | -45.1 | 0 | 0 | 0 | 0 | 107.7 | T354 | T354-T481 HydrophobicContact CG2-CG2 4.12Š| ||
| 482 | L | 22.4 | Very low | 24.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -84.5 | 135.8 | -177.6 | -80.3 | 148.3 | 0 | 0 | 0 | 110.3 | ||||
| 483 | V | 23.3 | Very low | 23.7 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 92% | 0.921 | 68% | 0.677 | S | S | * | * | trans | -133.6 | 131.3 | 141 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 484 | K | 21 | Very low | 23.3 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | trans | -129.9 | 112 | -167.5 | 167.8 | -155.4 | 175.6 | -176.4 | 0 | 110.2 | ||||
| 485 | I | 21.9 | Very low | 23 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | -144.4 | 150.4 | 151.2 | -60.7 | -169.5 | 0 | 0 | 0 | 109.9 | ||||
| 486 | K | 21.6 | Very low | 22.8 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -77.5 | 150.2 | -171.4 | -59.2 | 169.7 | 174.2 | 176.7 | 0 | 115.2 | ||||
| 487 | S | 25.2 | Very low | 22.6 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -169.1 | 158.6 | 143.9 | -102 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | P | 22 | Very low | 22.6 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | -129.2 | 20 | -126 | 32.6 | -12.1 | 0 | 0 | 0 | 117.6 | |||||
| 489 | T | 22.8 | Very low | 22.5 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | trans | -144.4 | 123.7 | -170.9 | 52.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 490 | K | 23 | Very low | 22.7 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | 80.4 | 132.3 | 160.6 | -60.4 | 179.6 | 177.7 | 178.1 | 0 | 119.6 | ||||
| 491 | Q | 21 | Very low | 22.8 | Very low | 150 Ų | 150 | 150 Ų | 150 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -108.3 | 142.9 | 175.9 | -67.4 | 178 | -14.1 | 0 | 0 | 112.1 | ||||
| 492 | I | 20.3 | Very low | 22.8 | Very low | 136 Ų | 136 | 149 Ų | 149 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | -151.8 | 140.7 | 167.7 | -49.5 | 179.3 | 0 | 0 | 0 | 110.7 | Y494 | I492-Y494 HydrophobicContact CG2-CD2 4.24Å; I492-Y494 HydrophobicContact CG2-CE2 3.52Å | ||
| 493 | F | 21.7 | Very low | 22.8 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -127.8 | 154.5 | -179.5 | -64.6 | -91 | 0 | 0 | 0 | 113.3 | ||||
| 494 | Y | 22.5 | Very low | 22.8 | Very low | 213 Ų | 213 | 149.1 Ų | 149.1 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | -151.9 | 159.6 | 174.2 | -72.3 | -68 | 0 | 0 | 0 | 115.6 | I492 | I492-Y494 HydrophobicContact CG2-CD2 4.24Å; I492-Y494 HydrophobicContact CG2-CE2 3.52Å | ||
| 495 | D | 22 | Very low | 22.8 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -141.2 | 164.7 | -169.1 | -177.5 | 33.3 | 0 | 0 | 0 | 113.5 | ||||
| 496 | I | 22.6 | Very low | 22.9 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 48% | 0.482 | 72% | 0.716 | S | S | . | * | trans | -157.9 | 127.9 | -139.5 | -111.2 | 177.6 | 0 | 0 | 0 | 117.4 | W510 | I496-W510 VanDerWaalsContact C-CE3 3.46Å; I496-W510 HydrophobicContact CB-CD2 3.94Å; I496-W510 HydrophobicContact CB-CE3 3.99Å; I496-W510 HydrophobicContact CB-CG 4.46Å; I496-W510 HydrophobicContact CB-CH2 4.31Å; I496-W510 HydrophobicContact CB-CZ2 4.27Å; I496-W510 HydrophobicContact CB-CZ3 4.2Å; I496-W510 HydrophobicContact CD1-CD2 3.98Å; I496-W510 VanDerWaalsContact CD1-CE2 3.49Å; I496-W510 HydrophobicContact CD1-CG 4.11Å; I496-W510 HydrophobicContact CD1-CZ2 3.92Å; I496-W510 HydrophobicContact CG1-CB 4.08Å; I496-W510 HydrophobicContact CG1-CD2 3.45Å; I496-W510 VanDerWaalsContact CG1-CD2 3.45Å; I496-W510 HydrophobicContact CG1-CE3 4.02Å; I496-W510 HydrophobicContact CG1-CG 3.56Å; I496-W510 HydrophobicContact CG1-CZ2 4.1Å; I496-W510 HydrophobicContact CG2-CD2 3.96Å; I496-W510 HydrophobicContact CG2-CE3 3.77Å; I496-W510 HydrophobicContact CG2-CH2 3.28Å; I496-W510 HydrophobicContact CG2-CZ2 3.48Å; I496-W510 VanDerWaalsContact CG2-CZ2 3.48Å; I496-W510 HydrophobicContact CG2-CZ3 3.46Å; I496-W510 VanDerWaalsContact CG2-CZ3 3.46Å | ||
| 497 | K | 21.4 | Very low | 22.9 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 40% | 0.4 | 72% | 0.72 | S | S | . | * | trans | -146.8 | 141.2 | -178.2 | -129.9 | 174.6 | -165.5 | 165.7 | 0 | 119.1 | W510 K511 V513 | K497-W510 VanDerWaalsContact CA-CE3 3.42Å; K497-K511 PolarHBondContact O-N 2.92Å; K497-V513 HydrophobicContact CD-CB 4.01Å; K497-V513 HydrophobicContact CD-CG2 4.45Å; K497-V513 PolarHBondContact NZ-O 2.93Å | ||
| 498 | F | 25.5 | Very low | 22.8 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 42% | 0.421 | 70% | 0.703 | S | S | . | * | trans | -126.9 | 160.4 | -165.3 | -78.3 | -28 | 0 | 0 | 0 | 119.7 | I508 W510 | F498-I508 HydrophobicContact CB-CG2 4.21Å; F498-I508 HydrophobicContact CD1-CB 3.61Å; F498-I508 HydrophobicContact CD1-CD1 4.26Å; F498-I508 HydrophobicContact CD1-CG2 3.1Å; F498-I508 HydrophobicContact CD2-CB 4.45Å; F498-I508 HydrophobicContact CD2-CD1 3.57Å; F498-I508 HydrophobicContact CD2-CG2 4.37Å; F498-I508 HydrophobicContact CE1-CB 3.24Å; F498-I508 HydrophobicContact CE1-CD1 4.18Å; F498-I508 HydrophobicContact CE1-CG1 4.26Å; F498-I508 HydrophobicContact CE1-CG2 3.33Å; F498-I508 HydrophobicContact CE2-CB 4.16Å; F498-I508 HydrophobicContact CE2-CD1 3.49Å; F498-I508 VanDerWaalsContact CE2-CD1 3.49Å; F498-I508 HydrophobicContact CE2-CG1 4.34Å; F498-I508 HydrophobicContact CG-CB 4.21Å; F498-I508 HydrophobicContact CG-CD1 3.96Å; F498-I508 HydrophobicContact CG-CG2 3.69Å; F498-I508 HydrophobicContact CZ-CB 3.53Å; F498-I508 HydrophobicContact CZ-CD1 3.8Å; F498-I508 HydrophobicContact CZ-CG1 4.14Å; F498-I508 HydrophobicContact CZ-CG2 4.05Å; F498-W510 HydrophobicContact CB-CE3 4.36Å; F498-W510 HydrophobicContact CB-CZ3 4.11Å; F498-W510 AromaticContact CD1-CD2 3.4Å; F498-W510 HydrophobicContact CD1-CD2 3.4Å; F498-W510 AromaticContact CD1-CE2 3.96Å; F498-W510 AromaticContact CD1-CE3 2.99Å; F498-W510 HydrophobicContact CD1-CE3 2.99Å; F498-W510 HydrophobicContact CD1-CG 4.1Å; F498-W510 AromaticContact CD1-CH2 3.96Å; F498-W510 HydrophobicContact CD1-CH2 3.96Å; F498-W510 HydrophobicContact CD1-CZ2 4.26Å; F498-W510 AromaticContact CD1-CZ3 3.31Å; F498-W510 HydrophobicContact CD1-CZ3 3.31Å; F498-W510 AromaticContact CD2-CE3 3.94Å; F498-W510 HydrophobicContact CD2-CE3 3.94Å; F498-W510 AromaticContact CD2-CH2 3.41Å; F498-W510 HydrophobicContact CD2-CH2 3.41Å; F498-W510 VanDerWaalsContact CD2-CH2 3.41Å; F498-W510 HydrophobicContact CD2-CZ2 4.14Å; F498-W510 AromaticContact CD2-CZ3 3.27Å; F498-W510 HydrophobicContact CD2-CZ3 3.27Å; F498-W510 AromaticContact CE1-CD1 3.91Å; F498-W510 AromaticContact CE1-CD2 2.96Å; F498-W510 HydrophobicContact CE1-CD2 2.96Å; F498-W510 AromaticContact CE1-CE2 3.12Å; F498-W510 AromaticContact CE1-CE3 3.1Å; F498-W510 HydrophobicContact CE1-CE3 3.1Å; F498-W510 AromaticContact CE1-CG 3.61Å; F498-W510 HydrophobicContact CE1-CG 3.61Å; F498-W510 AromaticContact CE1-CH2 3.66Å; F498-W510 HydrophobicContact CE1-CH2 3.66Å; F498-W510 AromaticContact CE1-CZ2 3.51Å; F498-W510 HydrophobicContact CE1-CZ2 3.51Å; F498-W510 AromaticContact CE1-CZ3 3.45Å; F498-W510 HydrophobicContact CE1-CZ3 3.45Å; F498-W510 VanDerWaalsContact CE1-CZ3 3.45Å; F498-W510 AromaticContact CE1-NE1 3.61Å; F498-W510 HydrophobicContact CE2-CD2 4.31Å; F498-W510 AromaticContact CE2-CE2 3.94Å; F498-W510 HydrophobicContact CE2-CE3 4.03Å; F498-W510 AromaticContact CE2-CH2 3.06Å; F498-W510 HydrophobicContact CE2-CH2 3.06Å; F498-W510 AromaticContact CE2-CZ2 3.37Å; F498-W510 HydrophobicContact CE2-CZ2 3.37Å; F498-W510 AromaticContact CE2-CZ3 3.43Å; F498-W510 HydrophobicContact CE2-CZ3 3.43Å; F498-W510 VanDerWaalsContact CE2-CZ3 3.43Å; F498-W510 HydrophobicContact CG-CD2 4.23Å; F498-W510 AromaticContact CG-CE3 3.46Å; F498-W510 HydrophobicContact CG-CE3 3.46Å; F498-W510 VanDerWaalsContact CG-CE3 3.46Å; F498-W510 AromaticContact CG-CH2 3.86Å; F498-W510 HydrophobicContact CG-CH2 3.86Å; F498-W510 AromaticContact CG-CZ3 3.22Å; F498-W510 HydrophobicContact CG-CZ3 3.22Å; F498-W510 AromaticContact CZ-CD2 3.53Å; F498-W510 HydrophobicContact CZ-CD2 3.53Å; F498-W510 AromaticContact CZ-CE2 3.12Å; F498-W510 AromaticContact CZ-CE3 3.66Å; F498-W510 HydrophobicContact CZ-CE3 3.66Å; F498-W510 HydrophobicContact CZ-CG 4.43Å; F498-W510 AromaticContact CZ-CH2 3.22Å; F498-W510 HydrophobicContact CZ-CH2 3.22Å; F498-W510 AromaticContact CZ-CZ2 3.01Å; F498-W510 HydrophobicContact CZ-CZ2 3.01Å; F498-W510 AromaticContact CZ-CZ3 3.53Å; F498-W510 HydrophobicContact CZ-CZ3 3.53Å; F498-W510 AromaticContact CZ-NE1 3.72Å | ||
| 499 | R | 21.9 | Very low | 22.8 | Very low | 242 Ų | 242 | 146.5 Ų | 146.5 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | trans | -153.5 | 166.2 | 161.6 | -130.3 | -179.7 | -175.6 | -169.4 | 0.4 | 115.2 | ||||
| 500 | K | 26.9 | Very low | 22.8 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | -107.7 | 177.7 | -164.1 | -137.7 | 167.5 | 177.9 | 176.9 | 0 | 111.2 | ||||
| 501 | K | 24.8 | Very low | 22.7 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 69% | 0.688 | S | S | * | * | cis | -168 | 136.5 | 24.5 | 171.1 | -157 | 174.8 | -169.1 | 0 | 113.6 | ||||
| 502 | G | 25.8 | Very low | 22.8 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | 107.7 | 121.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 503 | S | 22.3 | Very low | 23 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | S | Bend | cis | -166.3 | 150.2 | -13 | 34.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 504 | Q | 22.2 | Very low | 23.1 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | S | Bend | cis | -119.6 | 3.5 | 16.5 | -65.8 | 179.4 | -14.2 | 0 | 0 | 115 | ||
| 505 | H | 22.4 | Very low | 23.3 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | trans | -87.7 | 155.6 | 169.4 | -60.7 | -66.6 | 0 | 0 | 0 | 112.1 | N453 | N453-H505 PolarHBondContact OD1-CE1 2.92Š| ||
| 506 | V | 22.8 | Very low | 23.5 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | trans | -138 | 82.6 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | I508 | V506-I508 HydrophobicContact CG1-CD1 3.68Å; V506-I508 HydrophobicContact CG1-CG1 3.33Å | ||
| 507 | M | 22.3 | Very low | 23.6 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | trans | -68.1 | 154.7 | 144.5 | -67.8 | -170.9 | -67.9 | 0 | 0 | 108.4 | ||||
| 508 | I | 22.5 | Very low | 23.8 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 36% | 0.364 | 71% | 0.705 | S | S | . | * | trans | -142.2 | 127.8 | 170.3 | -34.4 | 167.4 | 0 | 0 | 0 | 111.8 | F498 V506 | F498-I508 HydrophobicContact CB-CG2 4.21Å; F498-I508 HydrophobicContact CD1-CB 3.61Å; F498-I508 HydrophobicContact CD1-CD1 4.26Å; F498-I508 HydrophobicContact CD1-CG2 3.1Å; F498-I508 HydrophobicContact CD2-CB 4.45Å; F498-I508 HydrophobicContact CD2-CD1 3.57Å; F498-I508 HydrophobicContact CD2-CG2 4.37Å; F498-I508 HydrophobicContact CE1-CB 3.24Å; F498-I508 HydrophobicContact CE1-CD1 4.18Å; F498-I508 HydrophobicContact CE1-CG1 4.26Å; F498-I508 HydrophobicContact CE1-CG2 3.33Å; F498-I508 HydrophobicContact CE2-CB 4.16Å; F498-I508 HydrophobicContact CE2-CD1 3.49Å; F498-I508 VanDerWaalsContact CE2-CD1 3.49Å; F498-I508 HydrophobicContact CE2-CG1 4.34Å; F498-I508 HydrophobicContact CG-CB 4.21Å; F498-I508 HydrophobicContact CG-CD1 3.96Å; F498-I508 HydrophobicContact CG-CG2 3.69Å; F498-I508 HydrophobicContact CZ-CB 3.53Å; F498-I508 HydrophobicContact CZ-CD1 3.8Å; F498-I508 HydrophobicContact CZ-CG1 4.14Å; F498-I508 HydrophobicContact CZ-CG2 4.05Å; V506-I508 HydrophobicContact CG1-CD1 3.68Å; V506-I508 HydrophobicContact CG1-CG1 3.33Å | ||
| 509 | K | 21.7 | Very low | 23.8 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -87 | 148.2 | 167.4 | -75.3 | 179 | 174 | 177.1 | 0 | 110.1 | ||||
| 510 | W | 24.2 | Very low | 24 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 44% | 0.436 | 70% | 0.696 | S | S | . | * | trans | -102.1 | 148.7 | -177.7 | -56 | 100.4 | 0 | 0 | 0 | 112.1 | I496 K497 F498 | I496-W510 VanDerWaalsContact C-CE3 3.46Å; I496-W510 HydrophobicContact CB-CD2 3.94Å; I496-W510 HydrophobicContact CB-CE3 3.99Å; I496-W510 HydrophobicContact CB-CG 4.46Å; I496-W510 HydrophobicContact CB-CH2 4.31Å; I496-W510 HydrophobicContact CB-CZ2 4.27Å; I496-W510 HydrophobicContact CB-CZ3 4.2Å; I496-W510 HydrophobicContact CD1-CD2 3.98Å; I496-W510 VanDerWaalsContact CD1-CE2 3.49Å; I496-W510 HydrophobicContact CD1-CG 4.11Å; I496-W510 HydrophobicContact CD1-CZ2 3.92Å; I496-W510 HydrophobicContact CG1-CB 4.08Å; I496-W510 HydrophobicContact CG1-CD2 3.45Å; I496-W510 VanDerWaalsContact CG1-CD2 3.45Å; I496-W510 HydrophobicContact CG1-CE3 4.02Å; I496-W510 HydrophobicContact CG1-CG 3.56Å; I496-W510 HydrophobicContact CG1-CZ2 4.1Å; I496-W510 HydrophobicContact CG2-CD2 3.96Å; I496-W510 HydrophobicContact CG2-CE3 3.77Å; I496-W510 HydrophobicContact CG2-CH2 3.28Å; I496-W510 HydrophobicContact CG2-CZ2 3.48Å; I496-W510 VanDerWaalsContact CG2-CZ2 3.48Å; I496-W510 HydrophobicContact CG2-CZ3 3.46Å; I496-W510 VanDerWaalsContact CG2-CZ3 3.46Å; K497-W510 VanDerWaalsContact CA-CE3 3.42Å; F498-W510 HydrophobicContact CB-CE3 4.36Å; F498-W510 HydrophobicContact CB-CZ3 4.11Å; F498-W510 AromaticContact CD1-CD2 3.4Å; F498-W510 HydrophobicContact CD1-CD2 3.4Å; F498-W510 AromaticContact CD1-CE2 3.96Å; F498-W510 AromaticContact CD1-CE3 2.99Å; F498-W510 HydrophobicContact CD1-CE3 2.99Å; F498-W510 HydrophobicContact CD1-CG 4.1Å; F498-W510 AromaticContact CD1-CH2 3.96Å; F498-W510 HydrophobicContact CD1-CH2 3.96Å; F498-W510 HydrophobicContact CD1-CZ2 4.26Å; F498-W510 AromaticContact CD1-CZ3 3.31Å; F498-W510 HydrophobicContact CD1-CZ3 3.31Å; F498-W510 AromaticContact CD2-CE3 3.94Å; F498-W510 HydrophobicContact CD2-CE3 3.94Å; F498-W510 AromaticContact CD2-CH2 3.41Å; F498-W510 HydrophobicContact CD2-CH2 3.41Å; F498-W510 VanDerWaalsContact CD2-CH2 3.41Å; F498-W510 HydrophobicContact CD2-CZ2 4.14Å; F498-W510 AromaticContact CD2-CZ3 3.27Å; F498-W510 HydrophobicContact CD2-CZ3 3.27Å; F498-W510 AromaticContact CE1-CD1 3.91Å; F498-W510 AromaticContact CE1-CD2 2.96Å; F498-W510 HydrophobicContact CE1-CD2 2.96Å; F498-W510 AromaticContact CE1-CE2 3.12Å; F498-W510 AromaticContact CE1-CE3 3.1Å; F498-W510 HydrophobicContact CE1-CE3 3.1Å; F498-W510 AromaticContact CE1-CG 3.61Å; F498-W510 HydrophobicContact CE1-CG 3.61Å; F498-W510 AromaticContact CE1-CH2 3.66Å; F498-W510 HydrophobicContact CE1-CH2 3.66Å; F498-W510 AromaticContact CE1-CZ2 3.51Å; F498-W510 HydrophobicContact CE1-CZ2 3.51Å; F498-W510 AromaticContact CE1-CZ3 3.45Å; F498-W510 HydrophobicContact CE1-CZ3 3.45Å; F498-W510 VanDerWaalsContact CE1-CZ3 3.45Å; F498-W510 AromaticContact CE1-NE1 3.61Å; F498-W510 HydrophobicContact CE2-CD2 4.31Å; F498-W510 AromaticContact CE2-CE2 3.94Å; F498-W510 HydrophobicContact CE2-CE3 4.03Å; F498-W510 AromaticContact CE2-CH2 3.06Å; F498-W510 HydrophobicContact CE2-CH2 3.06Å; F498-W510 AromaticContact CE2-CZ2 3.37Å; F498-W510 HydrophobicContact CE2-CZ2 3.37Å; F498-W510 AromaticContact CE2-CZ3 3.43Å; F498-W510 HydrophobicContact CE2-CZ3 3.43Å; F498-W510 VanDerWaalsContact CE2-CZ3 3.43Å; F498-W510 HydrophobicContact CG-CD2 4.23Å; F498-W510 AromaticContact CG-CE3 3.46Å; F498-W510 HydrophobicContact CG-CE3 3.46Å; F498-W510 VanDerWaalsContact CG-CE3 3.46Å; F498-W510 AromaticContact CG-CH2 3.86Å; F498-W510 HydrophobicContact CG-CH2 3.86Å; F498-W510 AromaticContact CG-CZ3 3.22Å; F498-W510 HydrophobicContact CG-CZ3 3.22Å; F498-W510 AromaticContact CZ-CD2 3.53Å; F498-W510 HydrophobicContact CZ-CD2 3.53Å; F498-W510 AromaticContact CZ-CE2 3.12Å; F498-W510 AromaticContact CZ-CE3 3.66Å; F498-W510 HydrophobicContact CZ-CE3 3.66Å; F498-W510 HydrophobicContact CZ-CG 4.43Å; F498-W510 AromaticContact CZ-CH2 3.22Å; F498-W510 HydrophobicContact CZ-CH2 3.22Å; F498-W510 AromaticContact CZ-CZ2 3.01Å; F498-W510 HydrophobicContact CZ-CZ2 3.01Å; F498-W510 AromaticContact CZ-CZ3 3.53Å; F498-W510 HydrophobicContact CZ-CZ3 3.53Å; F498-W510 AromaticContact CZ-NE1 3.72Å | ||
| 511 | K | 21.1 | Very low | 24.1 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -141.2 | 136 | 165.7 | -164.9 | 175.2 | -175.9 | 179.2 | 0 | 110.9 | K497 | K497-K511 PolarHBondContact O-N 2.92Š| ||
| 512 | T | 22.9 | Very low | 24.3 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -71.7 | 139.5 | -170.2 | -27.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 513 | V | 23.5 | Very low | 24.6 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | trans | -138.1 | 110.8 | 162.3 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | K497 | K497-V513 HydrophobicContact CD-CB 4.01Å; K497-V513 HydrophobicContact CD-CG2 4.45Å; K497-V513 PolarHBondContact NZ-O 2.93Å | ||
| 514 | K | 23.7 | Very low | 25.2 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 78% | 0.778 | 61% | 0.609 | S | S | * | * | trans | -53.6 | 127.9 | 178.1 | -139.3 | 175.2 | -177.9 | 179.9 | 0 | 110.3 | T516 | K514-T516 HydrophobicContact CB-CG2 4.14Å; K514-T516 HydrophobicContact CD-CG2 3.7Å; K514-T516 HydrophobicContact CG-CG2 3.73Å | ||
| 515 | I | 27.1 | Very low | 25.9 | Very low | 120 Ų | 120 | 112 Ų | 112 | 62% | 0.615 | 58% | 0.575 | S | S | * | * | trans | -96.3 | 110.2 | 162.8 | -61.1 | 175.9 | 0 | 0 | 0 | 105.5 | ||||
| 516 | T | 25.4 | Very low | 26.5 | Very low | 113 Ų | 113 | 110.2 Ų | 110.2 | 69% | 0.693 | 57% | 0.565 | S | S | * | * | trans | -107.4 | 8.3 | -175.9 | 45.6 | 0 | 0 | 0 | 0 | 113.6 | K514 | K514-T516 HydrophobicContact CB-CG2 4.14Å; K514-T516 HydrophobicContact CD-CG2 3.7Å; K514-T516 HydrophobicContact CG-CG2 3.73Å | ||
| 517 | D | 26 | Very low | 27.1 | Very low | 112 Ų | 112 | 108.9 Ų | 108.9 | 60% | 0.599 | 55% | 0.552 | S | S | * | * | trans | -97.9 | 126.6 | -178.9 | -157.6 | -23.7 | 0 | 0 | 0 | 110.9 | T519 | D517-T519 PolarHBondContact O-N 2.89Å; D517-T519 VanDerWaalsContact O-N 3.08Å; D517-T519 PolarHBondContact OD1-OG1 3.23Å | ||
| 518 | K | 25.5 | Very low | 27.6 | Very low | 202 Ų | 202 | 101.3 Ų | 101.3 | 88% | 0.878 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 19.8 | -164.2 | -69.8 | -176.2 | 175.4 | 178.7 | 0 | 114.4 | ||
| 519 | T | 24.5 | Very low | 28 | Very low | 107 Ų | 107 | 105.8 Ų | 105.8 | 66% | 0.656 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | 13.3 | -164.3 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | D517 | D517-T519 PolarHBondContact O-N 2.89Å; D517-T519 VanDerWaalsContact O-N 3.08Å; D517-T519 PolarHBondContact OD1-OG1 3.23Å |
| 520 | A | 27.1 | Very low | 28.5 | Very low | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | trans | -98 | 106.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 521 | H | 28.8 | Very low | 28.8 | Very low | 31 Ų | 31 | 97.5 Ų | 97.5 | 14% | 0.144 | 52% | 0.521 | C | S | . | . | trans | -75.7 | 126.3 | 164.5 | -57.7 | -10.4 | 0 | 0 | 0 | 110.8 | R545 Y564 D566 W599 | H521-R545 PolarHBondContact O-NH1 3.14Å; H521-R545 PolarHBondContact O-NH2 2.94Å; H521-Y564 CarbonylContact C-O 3.51Å; H521-Y564 WeakPolarHBondContact CA-O 3.16Å; H521-Y564 WeakPolarHBondContact CB-O 3.16Å; H521-D566 IonicContact CE1-OD1 3.2Å; H521-D566 IonicContact ND1-OD1 3.79Å; H521-W599 PolarHBondContact CD2-O 2.78Å | ||
| 522 | S | 29.2 | Very low | 29.3 | Very low | 66 Ų | 66 | 94 Ų | 94 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.5 | -176.5 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | Y564 | S522-Y564 PolarHBondContact N-O 3.5Å; S522-Y564 PolarHBondContact O-N 2.94Å |
| 523 | V | 31.8 | Very low | 29.7 | Very low | 42 Ų | 42 | 95.1 Ų | 95.1 | 26% | 0.255 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 109.3 | I525 V561 A562 Q563 | V523-I525 HydrophobicContact CG1-CG1 4.26Å; V523-V561 HydrophobicContact CG1-CG1 3.8Å; V523-A562 WeakPolarHBondContact CA-O 3.38Å; V523-Q563 HydrophobicContact CG2-CB 4.36Å; V523-Q563 HydrophobicContact CG2-CG 4.4Å |
| 524 | I | 34.8 | Very low | 30.2 | Very low | 73 Ų | 73 | 92.1 Ų | 92.1 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.3 | 175.8 | -56.9 | -174.1 | 0 | 0 | 0 | 108.2 | F526 A562 Y564 | I524-F526 HydrophobicContact CB-CE2 4.36Å; I524-F526 HydrophobicContact CG2-CD2 4.16Å; I524-F526 HydrophobicContact CG2-CE1 4.43Å; I524-F526 HydrophobicContact CG2-CE2 3.52Å; I524-F526 HydrophobicContact CG2-CZ 3.69Å; I524-A562 PolarHBondContact N-O 3.3Å; I524-A562 PolarHBondContact O-N 2.78Å; I524-A562 VanDerWaalsContact O-O 3.12Å; I524-Y564 HydrophobicContact CB-CE2 4.31Å; I524-Y564 HydrophobicContact CD1-CD2 4.11Å; I524-Y564 HydrophobicContact CD1-CE2 3.59Å; I524-Y564 HydrophobicContact CG1-CD2 4.17Å; I524-Y564 HydrophobicContact CG1-CE2 3.95Å |
| 525 | I | 36.3 | Very low | 30.7 | Very low | 35 Ų | 35 | 90.7 Ų | 90.7 | 18% | 0.179 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.8 | -177.5 | -50.5 | 173.4 | 0 | 0 | 0 | 108.2 | V523 I547 V559 I560 | V523-I525 HydrophobicContact CG1-CG1 4.26Å; I525-I547 HydrophobicContact CD1-CB 4.26Å; I525-I547 HydrophobicContact CD1-CD1 3.47Å; I525-I547 VanDerWaalsContact CD1-CD1 3.47Å; I525-I547 HydrophobicContact CD1-CG1 3.67Å; I525-I547 HydrophobicContact CD1-CG2 3.66Å; I525-I547 HydrophobicContact CG1-CD1 4.37Å; I525-V559 HydrophobicContact CG2-CG1 3.95Å; I525-I560 WeakPolarHBondContact CA-O 3.25Å |
| 526 | F | 36.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 87.8 Ų | 87.8 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.1 | 171.6 | -59.5 | -91.3 | 0 | 0 | 0 | 109.2 | I524 I560 | I524-F526 HydrophobicContact CB-CE2 4.36Å; I524-F526 HydrophobicContact CG2-CD2 4.16Å; I524-F526 HydrophobicContact CG2-CE1 4.43Å; I524-F526 HydrophobicContact CG2-CE2 3.52Å; I524-F526 HydrophobicContact CG2-CZ 3.69Å; F526-I560 HydrophobicContact CB-CB 4.26Å; F526-I560 PolarHBondContact N-O 3.2Å; F526-I560 PolarHBondContact O-N 2.73Å |
| 527 | H | 35.3 | Very low | 31.7 | Very low | 74 Ų | 74 | 89.1 Ų | 89.1 | 34% | 0.343 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 120 | 174.2 | -65 | -65 | 0 | 0 | 0 | 109.5 | T536 | H527-T536 WeakPolarHBondContact NE2-CG2 3.28Å |
| 528 | G | 32.7 | Very low | 32.4 | Very low | 27 Ų | 27 | 88.7 Ų | 88.7 | 28% | 0.278 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R558 | G528-R558 PolarHBondContact N-O 3.25Å |
| 529 | L | 31.3 | Very low | 32.9 | Very low | 165 Ų | 165 | 85 Ų | 85 | 86% | 0.864 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 51 | 74.7 | 179 | -78.9 | 164.6 | 0 | 0 | 0 | 114.3 | ||
| 530 | V | 31.5 | Very low | 33.4 | Very low | 40 Ų | 40 | 86 Ų | 86 | 24% | 0.242 | 47% | 0.47 | C | S | . | . | trans | -135.3 | 124 | 163.5 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | Q532 L534 Y557 | V530-Q532 WeakPolarHBondContact CG1-O 3.48Å; V530-Q532 PolarHBondContact O-N 3.04Å; V530-L534 HydrophobicContact CB-CD1 4.46Å; V530-L534 HydrophobicContact CG1-CD1 4.09Å; V530-L534 HydrophobicContact CG1-CD2 3.92Å; V530-L534 HydrophobicContact CG1-CG 3.98Å; V530-L534 HydrophobicContact CG2-CD1 4Å; V530-Y557 HydrophobicContact CG1-CE1 3.93Å; V530-Y557 HydrophobicContact CG2-CD1 3.77Å; V530-Y557 HydrophobicContact CG2-CE1 3.83Å | ||
| 531 | D | 31.1 | Very low | 33.8 | Very low | 101 Ų | 101 | 95 Ų | 95 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -68.6 | 6.4 | -177.7 | -45.8 | -60.7 | 0 | 0 | 0 | 114.2 | K555 | D531-K555 IonicContact OD2-NZ 3.46Å; D531-K555 PolarHBondContact OD2-NZ 2.93Å |
| 532 | Q | 29.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 96.1 Ų | 96.1 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -147.9 | 141.1 | -176.6 | -67.7 | -175.5 | -25.3 | 0 | 0 | 110.4 | V530 L534 | V530-Q532 WeakPolarHBondContact CG1-O 3.48Å; V530-Q532 PolarHBondContact O-N 3.04Å; Q532-L534 PolarHBondContact O-N 2.76Å |
| 533 | P | 32.1 | Very low | 34.6 | Very low | 133 Ų | 133 | 98 Ų | 98 | 86% | 0.864 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 119.4 | 175 | 27.6 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 534 | L | 33.9 | Very low | 34.9 | Very low | 34 Ų | 34 | 100.7 Ų | 100.7 | 18% | 0.178 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 132.1 | 179.8 | -59.1 | -174.7 | 0 | 0 | 0 | 110.6 | V530 Q532 I549 P550 | V530-L534 HydrophobicContact CB-CD1 4.46Å; V530-L534 HydrophobicContact CG1-CD1 4.09Å; V530-L534 HydrophobicContact CG1-CD2 3.92Å; V530-L534 HydrophobicContact CG1-CG 3.98Å; V530-L534 HydrophobicContact CG2-CD1 4Å; Q532-L534 PolarHBondContact O-N 2.76Å; L534-I549 HydrophobicContact CD1-CG2 3.54Å; L534-P550 HydrophobicContact CB-CG 4.32Å; L534-P550 WeakPolarHBondContact CD1-O 3.45Å; L534-P550 HydrophobicContact CD2-CG 4.11Å; L534-P550 VanDerWaalsContact CD2-O 3.25Å; L534-P550 WeakPolarHBondContact CD2-O 3.2Å |
| 535 | Q | 34 | Very low | 35.3 | Very low | 149 Ų | 149 | 102.2 Ų | 102.2 | 70% | 0.696 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 120.9 | 172.9 | -64.5 | -170.9 | 20.7 | 0 | 0 | 109.7 | P550 | Q535-P550 VanDerWaalsContact O-CD 3.31Å; Q535-P550 WeakPolarHBondContact O-CD 3.32Å |
| 536 | T | 37.4 | Very low | 35.6 | Very low | 58 Ų | 58 | 101.6 Ų | 101.6 | 36% | 0.356 | 52% | 0.524 | S | S | . | . | trans | -105.4 | 119.8 | 171.2 | 56 | 0 | 0 | 0 | 0 | 110.3 | H527 I547 | H527-T536 WeakPolarHBondContact NE2-CG2 3.28Å; T536-I547 HydrophobicContact CG2-CG2 4.08Å | ||
| 537 | E | 36.5 | Very low | 36.2 | Very low | 141 Ų | 141 | 96.9 Ų | 96.9 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | trans | -92.9 | 136.5 | 164.2 | -71.7 | -165.6 | 143.5 | 0 | 0 | 110.6 | ||||
| 538 | I | 39.9 | Very low | 36.6 | Very low | 103 Ų | 103 | 95.3 Ų | 95.3 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -120.8 | 116.7 | 172.5 | -57.7 | 175.1 | 0 | 0 | 0 | 107 | P540 | I538-P540 WeakPolarHBondContact O-CD 3.48Å |
| 539 | Q | 36.5 | Very low | 37.4 | Very low | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | trans | -78.3 | 118.3 | -179.9 | -70.2 | -165.5 | -10 | 0 | 0 | 111.5 | R541 | Q539-R541 PolarHBondContact O-N 3.23Š| ||
| 540 | P | 34.6 | Very low | 38.1 | Very low | 127 Ų | 127 | 87.2 Ų | 87.2 | 83% | 0.825 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -0.3 | -167.2 | -18.3 | 33.4 | 0 | 0 | 0 | 117.3 | I538 | I538-P540 WeakPolarHBondContact O-CD 3.48Š|
| 541 | R | 35.2 | Very low | 38.8 | Very low | 250 Ų | 250 | 85.3 Ų | 85.3 | 94% | 0.943 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 21.2 | -166.2 | -71.5 | -172.6 | 173.4 | 177.9 | -3.1 | 115.6 | Q539 | Q539-R541 PolarHBondContact O-N 3.23Š|
| 542 | S | 38.9 | Very low | 39.6 | Very low | 53 Ų | 53 | 83.1 Ų | 83.1 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | trans | -117.5 | 137.8 | 178.5 | 163.1 | 0 | 0 | 0 | 0 | 111.1 | K544 | S542-K544 VanDerWaalsContact CB-O 3.32Å; S542-K544 WeakPolarHBondContact CB-O 3.36Å; S542-K544 PolarHBondContact O-N 2.7Å; S542-K544 PolarHBondContact OG-N 3.19Å; S542-K544 PolarHBondContact OG-O 3.03Å | ||
| 543 | S | 36.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 79.7 Ų | 79.7 | 74% | 0.741 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -66.4 | -17.7 | 171.2 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 544 | K | 37.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 79.5 Ų | 79.5 | 43% | 0.426 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.9 | 164.4 | -49.4 | -171 | -173.1 | -144.7 | 0 | 108.4 | S542 H597 | S542-K544 VanDerWaalsContact CB-O 3.32Å; S542-K544 WeakPolarHBondContact CB-O 3.36Å; S542-K544 PolarHBondContact O-N 2.7Å; S542-K544 PolarHBondContact OG-N 3.19Å; S542-K544 PolarHBondContact OG-O 3.03Å; K544-H597 WeakPolarHBondContact CD-NE2 3.3Å; K544-H597 WeakPolarHBondContact CE-CE1 3.32Å; K544-H597 VanDerWaalsContact CE-NE2 3.27Å; K544-H597 WeakPolarHBondContact CE-NE2 3.24Å; K544-H597 PolarHBondContact NZ-CE1 3.14Å; K544-H597 VanDerWaalsContact NZ-CE1 3.28Å; K544-H597 PolarHBondContact NZ-NE2 2.03Å |
| 545 | R | 43.9 | Very low | 41.6 | Very low | 106 Ų | 106 | 81.6 Ų | 81.6 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 129.6 | 173.3 | -68.1 | -177.5 | 177.6 | -171.9 | -3.2 | 108.5 | H521 G596 | H521-R545 PolarHBondContact O-NH1 3.14Å; H521-R545 PolarHBondContact O-NH2 2.94Å; R545-G596 PolarHBondContact N-O 2.67Å; R545-G596 VanDerWaalsContact N-O 3.13Å; R545-G596 PolarHBondContact O-N 3.04Å |
| 546 | S | 42.1 | Very low | 42.1 | Very low | 22 Ų | 22 | 82.4 Ų | 82.4 | 15% | 0.154 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.3 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | I594 | S546-I594 CarbonylContact C-O 3.58Å; S546-I594 WeakPolarHBondContact CA-O 3.32Å |
| 547 | I | 48.5 | Very low | 42.5 | Very low | 17 Ų | 17 | 80 Ų | 80 | 9% | 0.087 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.9 | 178.3 | -59.7 | 138.5 | 0 | 0 | 0 | 107.6 | I525 T536 I549 T593 I594 | I525-I547 HydrophobicContact CD1-CB 4.26Å; I525-I547 HydrophobicContact CD1-CD1 3.47Å; I525-I547 VanDerWaalsContact CD1-CD1 3.47Å; I525-I547 HydrophobicContact CD1-CG1 3.67Å; I525-I547 HydrophobicContact CD1-CG2 3.66Å; I525-I547 HydrophobicContact CG1-CD1 4.37Å; T536-I547 HydrophobicContact CG2-CG2 4.08Å; I547-I549 HydrophobicContact CG2-CD1 4.33Å; I547-I549 HydrophobicContact CG2-CG1 3.91Å; I547-T593 CarbonylContact O-C 3.51Å; I547-T593 WeakPolarHBondContact O-CA 3.42Å; I547-I594 PolarHBondContact N-O 3.47Å; I547-I594 PolarHBondContact O-N 3.29Å |
| 548 | T | 45 | Very low | 42.8 | Very low | 40 Ų | 40 | 78.2 Ų | 78.2 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.9 | 171.2 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | H591 I592 | T548-H591 HydrophobicContact CG2-CB 3.91Å; T548-I592 CarbonylContact C-O 3.5Å; T548-I592 WeakPolarHBondContact CA-O 3.46Å |
| 549 | I | 48.8 | Very low | 43.2 | Very low | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 112.2 | -179.7 | -56.2 | -178.8 | 0 | 0 | 0 | 107.9 | L534 I547 V551 V559 I592 I594 | L534-I549 HydrophobicContact CD1-CG2 3.54Å; I547-I549 HydrophobicContact CG2-CD1 4.33Å; I547-I549 HydrophobicContact CG2-CG1 3.91Å; I549-V551 HydrophobicContact CG2-CG1 4.1Å; I549-V559 HydrophobicContact CD1-CB 4.36Å; I549-V559 HydrophobicContact CD1-CG1 3.77Å; I549-V559 HydrophobicContact CD1-CG2 3.68Å; I549-I592 PolarHBondContact N-O 3.07Å; I549-I592 PolarHBondContact O-N 3.38Å; I549-I594 HydrophobicContact CD1-CD1 3.73Å |
| 550 | P | 45.4 | Very low | 43.5 | Very low | 21 Ų | 21 | 69.8 Ų | 69.8 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.6 | 173 | 18.6 | -21 | 0 | 0 | 0 | 110.8 | L534 Q535 | L534-P550 HydrophobicContact CB-CG 4.32Å; L534-P550 WeakPolarHBondContact CD1-O 3.45Å; L534-P550 HydrophobicContact CD2-CG 4.11Å; L534-P550 VanDerWaalsContact CD2-O 3.25Å; L534-P550 WeakPolarHBondContact CD2-O 3.2Å; Q535-P550 VanDerWaalsContact O-CD 3.31Å; Q535-P550 WeakPolarHBondContact O-CD 3.32Å |
| 551 | V | 46.7 | Very low | 44.1 | Very low | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 139 | -171.4 | -73.9 | 0 | 0 | 0 | 0 | 112 | I549 Y557 F577 I579 H590 I592 | I549-V551 HydrophobicContact CG2-CG1 4.1Å; V551-Y557 HydrophobicContact CB-CD2 4.39Å; V551-Y557 HydrophobicContact CB-CE1 4.47Å; V551-Y557 HydrophobicContact CB-CE2 4.03Å; V551-Y557 HydrophobicContact CG1-CD1 4.02Å; V551-Y557 HydrophobicContact CG1-CD2 4.15Å; V551-Y557 HydrophobicContact CG1-CE1 4.04Å; V551-Y557 HydrophobicContact CG1-CE2 4.17Å; V551-Y557 HydrophobicContact CG1-CG 4.1Å; V551-F577 HydrophobicContact CG1-CE2 3.87Å; V551-F577 HydrophobicContact CG1-CZ 3.91Å; V551-I579 HydrophobicContact CB-CD1 4.25Å; V551-I579 HydrophobicContact CG2-CD1 3.4Å; V551-H590 HydrophobicContact CG2-CB 4.33Å; V551-H590 WeakPolarHBondContact CG2-O 3.48Å; V551-H590 PolarHBondContact N-O 3.37Å; V551-H590 PolarHBondContact O-N 3.12Å; V551-H590 VanDerWaalsContact O-N 3.14Å; V551-I592 HydrophobicContact CG2-CD1 4.05Å; V551-I592 HydrophobicContact CG2-CG1 4.01Å |
| 552 | Q | 48.3 | Very low | 44.4 | Very low | 54 Ų | 54 | 52.8 Ų | 52.8 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | trans | -90.8 | 136.6 | 177.6 | -56.4 | 178 | -15.2 | 0 | 0 | 109.6 | K555 Y557 | Q552-K555 HydrophobicContact CB-CD 4.45Å; Q552-K555 VanDerWaalsContact OE1-CE 3.23Å; Q552-Y557 VanDerWaalsContact CB-OH 3.3Å; Q552-Y557 WeakPolarHBondContact CB-OH 3.17Å; Q552-Y557 PolarHBondContact N-OH 3.3Å; Q552-Y557 WeakPolarHBondContact O-CE2 3.32Å | ||
| 553 | L | 45.6 | Very low | 44.5 | Very low | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 152.8 | 176.7 | -66.1 | 176.5 | 0 | 0 | 0 | 112.1 | K555 I579 C581 | L553-K555 PolarHBondContact O-N 2.79Å; L553-I579 HydrophobicContact CD2-CB 4.06Å; L553-I579 HydrophobicContact CD2-CG2 3.44Å; L553-I579 VanDerWaalsContact CD2-CG2 3.44Å; L553-C581 HydrophobicContact CB-CB 4.39Å; L553-C581 HydrophobicContact CD1-CB 4.12Å; L553-C581 HydrophobicContact CD2-CB 4.4Å |
| 554 | K | 46.5 | Very low | 44.5 | Very low | 129 Ų | 129 | 49 Ų | 49 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -20.2 | 176.4 | -55.7 | 176.6 | -178.9 | 174.7 | 0 | 116.4 | R578 I579 C581 | K554-R578 PolarHBondContact O-NE 2.89Å; K554-R578 PolarHBondContact O-NH2 3.07Å; K554-I579 PolarHBondContact N-O 3.11Å; K554-C581 HydrophobicContact CG-CB 4.33Å |
| 555 | K | 45.8 | Very low | 44.4 | Very low | 79 Ų | 79 | 45.1 Ų | 45.1 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | trans | -70.8 | 152.6 | 169.7 | -74.5 | -168.4 | 179.5 | 176.1 | 0 | 111.7 | D531 Q552 L553 Y557 R578 | D531-K555 IonicContact OD2-NZ 3.46Å; D531-K555 PolarHBondContact OD2-NZ 2.93Å; Q552-K555 HydrophobicContact CB-CD 4.45Å; Q552-K555 VanDerWaalsContact OE1-CE 3.23Å; L553-K555 PolarHBondContact O-N 2.79Å; K555-Y557 HydrophobicContact CB-CE2 3.71Å; K555-R578 WeakPolarHBondContact O-CG 3.31Å | ||
| 556 | K | 43.2 | Very low | 44.1 | Very low | 165 Ų | 165 | 46 Ų | 46 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 143.3 | 171 | -71.3 | 178.8 | -178.6 | 170 | 0 | 108.7 | R578 | K556-R578 HydrophobicContact CG-CB 4.45Å; K556-R578 HydrophobicContact CG-CG 4.43Å |
| 557 | Y | 46.7 | Very low | 43.6 | Very low | 8 Ų | 8 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.5 | 178.9 | -70 | -86.8 | 0 | 0 | 0 | 110.2 | V530 V551 Q552 K555 F577 | V530-Y557 HydrophobicContact CG1-CE1 3.93Å; V530-Y557 HydrophobicContact CG2-CD1 3.77Å; V530-Y557 HydrophobicContact CG2-CE1 3.83Å; V551-Y557 HydrophobicContact CB-CD2 4.39Å; V551-Y557 HydrophobicContact CB-CE1 4.47Å; V551-Y557 HydrophobicContact CB-CE2 4.03Å; V551-Y557 HydrophobicContact CG1-CD1 4.02Å; V551-Y557 HydrophobicContact CG1-CD2 4.15Å; V551-Y557 HydrophobicContact CG1-CE1 4.04Å; V551-Y557 HydrophobicContact CG1-CE2 4.17Å; V551-Y557 HydrophobicContact CG1-CG 4.1Å; Q552-Y557 VanDerWaalsContact CB-OH 3.3Å; Q552-Y557 WeakPolarHBondContact CB-OH 3.17Å; Q552-Y557 PolarHBondContact N-OH 3.3Å; Q552-Y557 WeakPolarHBondContact O-CE2 3.32Å; K555-Y557 HydrophobicContact CB-CE2 3.71Å; Y557-F577 VanDerWaalsContact CB-CE2 3.43Å; Y557-F577 HydrophobicContact CD2-CD2 4.34Å; Y557-F577 AromaticContact CD2-CE2 3.72Å; Y557-F577 HydrophobicContact CD2-CE2 3.72Å; Y557-F577 HydrophobicContact CD2-CZ 4.37Å; Y557-F577 HydrophobicContact CG-CD2 4.49Å; Y557-F577 AromaticContact CG-CE2 3.71Å; Y557-F577 HydrophobicContact CG-CE2 3.71Å; Y557-F577 AromaticContact CG-CZ 3.88Å; Y557-F577 HydrophobicContact CG-CZ 3.88Å; Y557-F577 PolarHBondContact N-O 2.94Å; Y557-F577 PolarHBondContact O-N 2.82Å |
| 558 | R | 43.4 | Very low | 42.7 | Very low | 103 Ų | 103 | 52.4 Ų | 52.4 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.5 | 165.4 | 175.5 | 168.8 | -68.9 | 164 | 2.6 | 109 | G528 I560 V574 D576 | G528-R558 PolarHBondContact N-O 3.25Å; R558-I560 HydrophobicContact CG-CG1 4.12Å; R558-V574 HydrophobicContact CG-CG1 4.09Å; R558-D576 IonicContact CZ-OD1 2.7Å; R558-D576 VanDerWaalsContact CZ-OD1 3.3Å; R558-D576 IonicContact CZ-OD2 2.67Å; R558-D576 IonicContact NE-OD1 3.3Å; R558-D576 PolarHBondContact NE-OD1 3.45Å; R558-D576 IonicContact NH2-OD1 2.76Å; R558-D576 PolarHBondContact NH2-OD1 2.87Å; R558-D576 IonicContact NH2-OD2 2.63Å; R558-D576 PolarHBondContact NH2-OD2 2.8Å |
| 559 | V | 47.2 | Very low | 42.3 | Very low | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.8 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | I525 I549 V561 I575 F577 I594 | I525-V559 HydrophobicContact CG2-CG1 3.95Å; I549-V559 HydrophobicContact CD1-CB 4.36Å; I549-V559 HydrophobicContact CD1-CG1 3.77Å; I549-V559 HydrophobicContact CD1-CG2 3.68Å; V559-V561 HydrophobicContact CG1-CG2 3.92Å; V559-I575 PolarHBondContact N-O 2.63Å; V559-I575 PolarHBondContact O-N 3.34Å; V559-F577 HydrophobicContact CB-CE1 4.48Å; V559-F577 HydrophobicContact CG2-CE1 3.73Å; V559-F577 HydrophobicContact CG2-CZ 4.28Å; V559-I594 HydrophobicContact CG1-CD1 4.28Å |
| 560 | I | 44 | Very low | 41.9 | Very low | 48 Ų | 48 | 54.9 Ų | 54.9 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.3 | 173.9 | -53.2 | 178.3 | 0 | 0 | 0 | 107 | I525 F526 R558 P572 V574 | I525-I560 WeakPolarHBondContact CA-O 3.25Å; F526-I560 HydrophobicContact CB-CB 4.26Å; F526-I560 PolarHBondContact N-O 3.2Å; F526-I560 PolarHBondContact O-N 2.73Å; R558-I560 HydrophobicContact CG-CG1 4.12Å; I560-P572 HydrophobicContact CG2-CB 3.92Å; I560-V574 HydrophobicContact CG1-CG1 4.5Å; I560-V574 HydrophobicContact CG1-CG2 4.32Å; I560-V574 HydrophobicContact CG2-CG2 4.45Å |
| 561 | V | 45.9 | Very low | 41.4 | Very low | 13 Ų | 13 | 63.6 Ų | 63.6 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.7 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | V523 V559 I573 I575 | V523-V561 HydrophobicContact CG1-CG1 3.8Å; V559-V561 HydrophobicContact CG1-CG2 3.92Å; V561-I573 PolarHBondContact N-O 2.83Å; V561-I573 PolarHBondContact O-N 3.01Å; V561-I575 HydrophobicContact CG2-CD1 4.5Å |
| 562 | A | 41.5 | Very low | 41.1 | Very low | 8 Ų | 8 | 66.5 Ų | 66.5 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V523 I524 Y564 P572 | V523-A562 WeakPolarHBondContact CA-O 3.38Å; I524-A562 PolarHBondContact N-O 3.3Å; I524-A562 PolarHBondContact O-N 2.78Å; I524-A562 VanDerWaalsContact O-O 3.12Å; A562-Y564 HydrophobicContact CB-CE2 4.41Å; A562-P572 HydrophobicContact CB-CB 4.41Å |
| 563 | Q | 40.8 | Very low | 40.7 | Very low | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.5 | 170.6 | 173.8 | 166 | -27.7 | 0 | 0 | 109.6 | V523 P569 D570 W599 | V523-Q563 HydrophobicContact CG2-CB 4.36Å; V523-Q563 HydrophobicContact CG2-CG 4.4Å; Q563-P569 CarbonylContact O-C 3.54Å; Q563-P569 WeakPolarHBondContact O-CA 3.37Å; Q563-D570 PolarHBondContact O-N 2.83Å; Q563-W599 PolarHBondContact NE2-O 2.85Å; Q563-W599 VanDerWaalsContact OE1-CG 3.22Å |
| 564 | Y | 37.8 | Very low | 40.4 | Very low | 62 Ų | 62 | 69.1 Ų | 69.1 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.4 | 168.3 | -70.4 | -104.2 | 0 | 0 | 0 | 108.3 | H521 S522 I524 A562 K568 P569 | H521-Y564 CarbonylContact C-O 3.51Å; H521-Y564 WeakPolarHBondContact CA-O 3.16Å; H521-Y564 WeakPolarHBondContact CB-O 3.16Å; S522-Y564 PolarHBondContact N-O 3.5Å; S522-Y564 PolarHBondContact O-N 2.94Å; I524-Y564 HydrophobicContact CB-CE2 4.31Å; I524-Y564 HydrophobicContact CD1-CD2 4.11Å; I524-Y564 HydrophobicContact CD1-CE2 3.59Å; I524-Y564 HydrophobicContact CG1-CD2 4.17Å; I524-Y564 HydrophobicContact CG1-CE2 3.95Å; A562-Y564 HydrophobicContact CB-CE2 4.41Å; Y564-K568 VanDerWaalsContact CA-O 3.3Å; Y564-K568 WeakPolarHBondContact CA-O 3.49Å; Y564-P569 HydrophobicContact CD1-CB 4.2Å; Y564-P569 HydrophobicContact CE1-CB 3.81Å; Y564-P569 HydrophobicContact CE1-CG 4.17Å; Y564-P569 HydrophobicContact CE2-CB 4.45Å |
| 565 | S | 36.2 | Very low | 40.3 | Very low | 17 Ų | 17 | 64.1 Ų | 64.1 | 12% | 0.119 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.2 | 159.3 | 69.6 | 0 | 0 | 0 | 0 | 108.5 | G567 K568 | S565-G567 PolarHBondContact O-N 2.82Å; S565-K568 PolarHBondContact N-O 2.84Å; S565-K568 VanDerWaalsContact N-O 3.16Å; S565-K568 PolarHBondContact O-N 2.87Å |
| 566 | D | 36.8 | Very low | 40.1 | Very low | 124 Ų | 124 | 64.2 Ų | 64.2 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 36.2 | 171.5 | -51.5 | -13.5 | 0 | 0 | 0 | 115.6 | H521 K568 | H521-D566 IonicContact CE1-OD1 3.2Å; H521-D566 IonicContact ND1-OD1 3.79Å; D566-K568 VanDerWaalsContact C-N 3.31Å; D566-K568 PolarHBondContact O-N 2.89Å |
| 567 | G | 31 | Very low | 40.2 | Very low | 44 Ų | 44 | 58 Ų | 58 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 15.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K473 S565 | K473-G567 WeakPolarHBondContact CB-O 3.44Å; S565-G567 PolarHBondContact O-N 2.82Å |
| 568 | K | 30.4 | Very low | 40.1 | Very low | 130 Ų | 130 | 64.8 Ų | 64.8 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.2 | 168.9 | -66.1 | 177 | -178.3 | 173.7 | 0 | 109.6 | K473 Y564 S565 D566 D570 | K473-K568 HydrophobicContact CG-CG 4.43Å; Y564-K568 VanDerWaalsContact CA-O 3.3Å; Y564-K568 WeakPolarHBondContact CA-O 3.49Å; S565-K568 PolarHBondContact N-O 2.84Å; S565-K568 VanDerWaalsContact N-O 3.16Å; S565-K568 PolarHBondContact O-N 2.87Å; D566-K568 VanDerWaalsContact C-N 3.31Å; D566-K568 PolarHBondContact O-N 2.89Å; K568-D570 PolarHBondContact O-N 2.61Å |
| 569 | P | 36.9 | Very low | 40.4 | Very low | 27 Ų | 27 | 60.6 Ų | 60.6 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124.1 | 167.2 | 27.2 | -30.1 | 0 | 0 | 0 | 109.4 | K473 Q563 Y564 | K473-P569 WeakPolarHBondContact O-CD 3.35Å; Q563-P569 CarbonylContact O-C 3.54Å; Q563-P569 WeakPolarHBondContact O-CA 3.37Å; Y564-P569 HydrophobicContact CD1-CB 4.2Å; Y564-P569 HydrophobicContact CE1-CB 3.81Å; Y564-P569 HydrophobicContact CE1-CG 4.17Å; Y564-P569 HydrophobicContact CE2-CB 4.45Å |
| 570 | D | 39.3 | Very low | 40.2 | Very low | 67 Ų | 67 | 65.5 Ų | 65.5 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 162.4 | 161.7 | -159.6 | -4.2 | 0 | 0 | 0 | 109.3 | Q563 K568 | Q563-D570 PolarHBondContact O-N 2.83Å; K568-D570 PolarHBondContact O-N 2.61Å |
| 571 | W | 35.4 | Very low | 40.3 | Very low | 203 Ų | 203 | 64.7 Ų | 64.7 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 123.3 | -170.2 | -78.9 | 87.6 | 0 | 0 | 0 | 112 | I573 | W571-I573 PolarHBondContact O-N 2.78Š|
| 572 | P | 40.9 | Very low | 40 | Very low | 63 Ų | 63 | 73 Ų | 73 | 41% | 0.409 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 120.8 | -176.3 | 25.8 | -33.7 | 0 | 0 | 0 | 110.7 | I560 A562 V574 | I560-P572 HydrophobicContact CG2-CB 3.92Å; A562-P572 HydrophobicContact CB-CB 4.41Å; P572-V574 PolarHBondContact O-N 2.79Å |
| 573 | I | 39.6 | Very low | 40.1 | Very low | 63 Ų | 63 | 76.5 Ų | 76.5 | 32% | 0.323 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 110.4 | 179.4 | -56.8 | -178 | 0 | 0 | 0 | 108.5 | V561 W571 I575 W599 I608 | V561-I573 PolarHBondContact N-O 2.83Å; V561-I573 PolarHBondContact O-N 3.01Å; W571-I573 PolarHBondContact O-N 2.78Å; I573-I575 HydrophobicContact CG2-CG1 4.01Å; I573-W599 HydrophobicContact CD1-CH2 3.98Å; I573-W599 HydrophobicContact CD1-CZ3 3.68Å; I573-I608 HydrophobicContact CD1-CD1 3.99Å; I573-I608 HydrophobicContact CG2-CD1 3.91Å |
| 574 | V | 39.7 | Very low | 40.1 | Very low | 79 Ų | 79 | 78.6 Ų | 78.6 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.5 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | R558 I560 P572 | R558-V574 HydrophobicContact CG-CG1 4.09Å; I560-V574 HydrophobicContact CG1-CG1 4.5Å; I560-V574 HydrophobicContact CG1-CG2 4.32Å; I560-V574 HydrophobicContact CG2-CG2 4.45Å; P572-V574 PolarHBondContact O-N 2.79Å |
| 575 | I | 43.4 | Very low | 40 | Very low | 24 Ų | 24 | 87.1 Ų | 87.1 | 12% | 0.123 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 98.4 | 177.3 | -44.7 | 179.9 | 0 | 0 | 0 | 108.6 | V559 V561 I573 F577 I594 I608 | V559-I575 PolarHBondContact N-O 2.63Å; V559-I575 PolarHBondContact O-N 3.34Å; V561-I575 HydrophobicContact CG2-CD1 4.5Å; I573-I575 HydrophobicContact CG2-CG1 4.01Å; I575-F577 HydrophobicContact CG2-CD1 3.93Å; I575-I594 HydrophobicContact CD1-CD1 4.08Å; I575-I608 HydrophobicContact CD1-CD1 4.26Å; I575-I608 HydrophobicContact CD1-CG2 4.43Å |
| 576 | D | 41.5 | Very low | 40 | Very low | 81 Ų | 81 | 92.5 Ų | 92.5 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.5 | 167.7 | -85.8 | -1.5 | 0 | 0 | 0 | 108.8 | R304 R558 | R304-D576 IonicContact NH1-OD2 3.53Å; R558-D576 IonicContact CZ-OD1 2.7Å; R558-D576 VanDerWaalsContact CZ-OD1 3.3Å; R558-D576 IonicContact CZ-OD2 2.67Å; R558-D576 IonicContact NE-OD1 3.3Å; R558-D576 PolarHBondContact NE-OD1 3.45Å; R558-D576 IonicContact NH2-OD1 2.76Å; R558-D576 PolarHBondContact NH2-OD1 2.87Å; R558-D576 IonicContact NH2-OD2 2.63Å; R558-D576 PolarHBondContact NH2-OD2 2.8Å |
| 577 | F | 45.5 | Very low | 40.2 | Very low | 34 Ų | 34 | 95.8 Ų | 95.8 | 15% | 0.149 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.2 | 176.6 | 67.5 | -95.7 | 0 | 0 | 0 | 113.7 | V551 Y557 V559 I575 I592 | V551-F577 HydrophobicContact CG1-CE2 3.87Å; V551-F577 HydrophobicContact CG1-CZ 3.91Å; Y557-F577 VanDerWaalsContact CB-CE2 3.43Å; Y557-F577 HydrophobicContact CD2-CD2 4.34Å; Y557-F577 AromaticContact CD2-CE2 3.72Å; Y557-F577 HydrophobicContact CD2-CE2 3.72Å; Y557-F577 HydrophobicContact CD2-CZ 4.37Å; Y557-F577 HydrophobicContact CG-CD2 4.49Å; Y557-F577 AromaticContact CG-CE2 3.71Å; Y557-F577 HydrophobicContact CG-CE2 3.71Å; Y557-F577 AromaticContact CG-CZ 3.88Å; Y557-F577 HydrophobicContact CG-CZ 3.88Å; Y557-F577 PolarHBondContact N-O 2.94Å; Y557-F577 PolarHBondContact O-N 2.82Å; V559-F577 HydrophobicContact CB-CE1 4.48Å; V559-F577 HydrophobicContact CG2-CE1 3.73Å; V559-F577 HydrophobicContact CG2-CZ 4.28Å; I575-F577 HydrophobicContact CG2-CD1 3.93Å; F577-I592 HydrophobicContact CD2-CD1 3.62Å; F577-I592 HydrophobicContact CE1-CD1 4.38Å; F577-I592 HydrophobicContact CE2-CD1 3.22Å; F577-I592 HydrophobicContact CG-CD1 4.37Å; F577-I592 HydrophobicContact CZ-CD1 3.65Å |
| 578 | R | 45.8 | Very low | 40.9 | Very low | 152 Ų | 152 | 96.6 Ų | 96.6 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 130 | 174.4 | -174.3 | -175.3 | -162.2 | -162.4 | 2.4 | 107.4 | K554 K555 K556 P580 | K554-R578 PolarHBondContact O-NE 2.89Å; K554-R578 PolarHBondContact O-NH2 3.07Å; K555-R578 WeakPolarHBondContact O-CG 3.31Å; K556-R578 HydrophobicContact CG-CB 4.45Å; K556-R578 HydrophobicContact CG-CG 4.43Å; R578-P580 VanDerWaalsContact O-CD 3.27Å; R578-P580 WeakPolarHBondContact O-CD 3.3Å |
| 579 | I | 49.6 | Very low | 41.5 | Very low | 14 Ų | 14 | 96.4 Ų | 96.4 | 7% | 0.072 | 50% | 0.5 | C | S | . | . | trans | -85.8 | 112.7 | 171.6 | -58.2 | 174 | 0 | 0 | 0 | 108.1 | V551 L553 K554 H590 I592 L612 | V551-I579 HydrophobicContact CB-CD1 4.25Å; V551-I579 HydrophobicContact CG2-CD1 3.4Å; L553-I579 HydrophobicContact CD2-CB 4.06Å; L553-I579 HydrophobicContact CD2-CG2 3.44Å; L553-I579 VanDerWaalsContact CD2-CG2 3.44Å; K554-I579 PolarHBondContact N-O 3.11Å; I579-H590 HydrophobicContact CD1-CB 4.1Å; I579-I592 HydrophobicContact CD1-CD1 3.96Å; I579-I592 HydrophobicContact CD1-CG1 4.31Å; I579-I592 HydrophobicContact CG1-CD1 4.23Å; I579-L612 HydrophobicContact CD1-CD2 3.53Å; I579-L612 HydrophobicContact CG1-CD2 4.07Å | ||
| 580 | P | 41.3 | Very low | 42 | Very low | 107 Ų | 107 | 97.3 Ų | 97.3 | 70% | 0.695 | 50% | 0.502 | S | S | * | . | trans | -69.3 | 154.8 | 167.4 | 32.9 | -34.4 | 0 | 0 | 0 | 109.7 | R578 | R578-P580 VanDerWaalsContact O-CD 3.27Å; R578-P580 WeakPolarHBondContact O-CD 3.3Å | ||
| 581 | C | 46.1 | Very low | 42.1 | Very low | 31 Ų | 31 | 97.6 Ų | 97.6 | 21% | 0.209 | 50% | 0.501 | C | S | . | . | trans | -134.2 | 106.8 | -179.5 | 161.9 | 0 | 0 | 0 | 0 | 106.9 | L553 K554 C584 | L553-C581 HydrophobicContact CB-CB 4.39Å; L553-C581 HydrophobicContact CD1-CB 4.12Å; L553-C581 HydrophobicContact CD2-CB 4.4Å; K554-C581 HydrophobicContact CG-CB 4.33Å; C581-C584 WeakPolarHBondContact SG-CB 3.37Å | ||
| 582 | E | 41.1 | Very low | 42.6 | Very low | 186 Ų | 186 | 88.3 Ų | 88.3 | 87% | 0.869 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -104.2 | 135.2 | 168.4 | -67.1 | -174.9 | 163.4 | 0 | 0 | 107.6 | C584 | E582-C584 VanDerWaalsContact C-N 3.35Å; E582-C584 PolarHBondContact O-N 3.01Å; E582-C584 VanDerWaalsContact O-N 3.16Å |
| 583 | G | 42.8 | Very low | 42.6 | Very low | 82 Ų | 82 | 85.9 Ų | 85.9 | 85% | 0.845 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 80.6 | -27.1 | 176 | 0 | 0 | 0 | 0 | 0 | 118.2 | R585 | G583-R585 PolarHBondContact O-N 3.35Š|
| 584 | C | 40.8 | Very low | 42.8 | Very low | 61 Ų | 61 | 83.1 Ų | 83.1 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | trans | -70.3 | 110 | -172.6 | -39.8 | 0 | 0 | 0 | 0 | 113.4 | C581 E582 | C581-C584 WeakPolarHBondContact SG-CB 3.37Å; E582-C584 VanDerWaalsContact C-N 3.35Å; E582-C584 PolarHBondContact O-N 3.01Å; E582-C584 VanDerWaalsContact O-N 3.16Å | ||
| 585 | R | 35 | Very low | 42.7 | Very low | 241 Ų | 241 | 82.7 Ų | 82.7 | 91% | 0.909 | 43% | 0.428 | S | S | * | . | trans | -84.9 | 133.3 | 155.3 | -68.2 | -177.8 | 176.6 | -177.5 | -0.6 | 108.5 | G583 | G583-R585 PolarHBondContact O-N 3.35Š| ||
| 586 | V | 37.2 | Very low | 42.3 | Very low | 129 Ų | 129 | 81.6 Ų | 81.6 | 78% | 0.782 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 69.2 | 149.3 | -180 | -163.8 | 0 | 0 | 0 | 0 | 114.2 | P588 | V586-P588 VanDerWaalsContact O-CD 3.27Å; V586-P588 WeakPolarHBondContact O-CD 3.3Å |
| 587 | H | 40.6 | Very low | 41.9 | Very low | 193 Ų | 193 | 82.1 Ų | 82.1 | 89% | 0.894 | 42% | 0.422 | S | S | * | . | trans | -77 | 124.5 | -163.8 | -63.8 | -102.9 | 0 | 0 | 0 | 115.5 | ||||
| 588 | P | 45.5 | Very low | 41.4 | Very low | 61 Ų | 61 | 89.5 Ų | 89.5 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | trans | -114.5 | 127.7 | 155.4 | 5.1 | 19.2 | 0 | 0 | 0 | 110.3 | V586 H590 | V586-P588 VanDerWaalsContact O-CD 3.27Å; V586-P588 WeakPolarHBondContact O-CD 3.3Å; P588-H590 PolarHBondContact O-N 3.28Å; P588-H590 PolarHBondContact O-ND1 2.85Å | ||
| 589 | M | 44.6 | Very low | 41 | Very low | 127 Ų | 127 | 83.9 Ų | 83.9 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | trans | -67 | 126.6 | 162.3 | -86.5 | -164.2 | -79.4 | 0 | 0 | 108.7 | ||||
| 590 | H | 45.8 | Very low | 40 | Very low | 45 Ų | 45 | 91.3 Ų | 91.3 | 21% | 0.208 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 155.7 | 175.5 | -70.8 | 55.9 | 0 | 0 | 0 | 109.1 | V551 I579 P588 | V551-H590 HydrophobicContact CG2-CB 4.33Å; V551-H590 WeakPolarHBondContact CG2-O 3.48Å; V551-H590 PolarHBondContact N-O 3.37Å; V551-H590 PolarHBondContact O-N 3.12Å; V551-H590 VanDerWaalsContact O-N 3.14Å; I579-H590 HydrophobicContact CD1-CB 4.1Å; P588-H590 PolarHBondContact O-N 3.28Å; P588-H590 PolarHBondContact O-ND1 2.85Å |
| 591 | H | 42.6 | Very low | 39.5 | Very low | 73 Ų | 73 | 88.8 Ų | 88.8 | 34% | 0.338 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.3 | 177 | -63.4 | 81.6 | 0 | 0 | 0 | 109.8 | T548 L612 K613 | T548-H591 HydrophobicContact CG2-CB 3.91Å; H591-L612 CarbonylContact O-C 3.56Å; H591-L612 WeakPolarHBondContact O-CA 3.29Å; H591-K613 HydrophobicContact CB-CB 4.15Å; H591-K613 PolarHBondContact N-O 3.29Å; H591-K613 PolarHBondContact O-N 3.06Å |
| 592 | I | 45.8 | Very low | 38.6 | Very low | 8 Ų | 8 | 95.5 Ų | 95.5 | 4% | 0.041 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118 | 167.7 | -75.7 | 171.1 | 0 | 0 | 0 | 108.2 | T548 I549 V551 F577 I579 I594 L610 H611 L612 | T548-I592 CarbonylContact C-O 3.5Å; T548-I592 WeakPolarHBondContact CA-O 3.46Å; I549-I592 PolarHBondContact N-O 3.07Å; I549-I592 PolarHBondContact O-N 3.38Å; V551-I592 HydrophobicContact CG2-CD1 4.05Å; V551-I592 HydrophobicContact CG2-CG1 4.01Å; F577-I592 HydrophobicContact CD2-CD1 3.62Å; F577-I592 HydrophobicContact CE1-CD1 4.38Å; F577-I592 HydrophobicContact CE2-CD1 3.22Å; F577-I592 HydrophobicContact CG-CD1 4.37Å; F577-I592 HydrophobicContact CZ-CD1 3.65Å; I579-I592 HydrophobicContact CD1-CD1 3.96Å; I579-I592 HydrophobicContact CD1-CG1 4.31Å; I579-I592 HydrophobicContact CG1-CD1 4.23Å; I592-I594 HydrophobicContact CG2-CG1 4.21Å; I592-L610 HydrophobicContact CG2-CD2 3.52Å; I592-H611 CarbonylContact C-O 3.6Å; I592-H611 WeakPolarHBondContact CA-O 3Å; I592-L612 HydrophobicContact CD1-CD2 4.17Å; I592-L612 HydrophobicContact CG1-CD2 3.58Å; I592-L612 HydrophobicContact CG1-CG 4.34Å |
| 593 | T | 40.3 | Very low | 37.9 | Very low | 12 Ų | 12 | 95.4 Ų | 95.4 | 7% | 0.074 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 108.9 | 168.7 | -46.2 | 0 | 0 | 0 | 0 | 108.7 | I547 K595 L610 H611 | I547-T593 CarbonylContact O-C 3.51Å; I547-T593 WeakPolarHBondContact O-CA 3.42Å; T593-K595 HydrophobicContact CG2-CG 4.13Å; T593-L610 CarbonylContact O-C 3.59Å; T593-L610 WeakPolarHBondContact O-CA 3.33Å; T593-H611 PolarHBondContact N-O 3Å; T593-H611 PolarHBondContact O-N 2.91Å |
| 594 | I | 44.9 | Very low | 37.2 | Very low | 6 Ų | 6 | 97.3 Ų | 97.3 | 3% | 0.031 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 112.8 | 166.4 | -70.5 | 166.5 | 0 | 0 | 0 | 107.4 | S546 I547 I549 V559 I575 I592 I608 L610 | S546-I594 CarbonylContact C-O 3.58Å; S546-I594 WeakPolarHBondContact CA-O 3.32Å; I547-I594 PolarHBondContact N-O 3.47Å; I547-I594 PolarHBondContact O-N 3.29Å; I549-I594 HydrophobicContact CD1-CD1 3.73Å; V559-I594 HydrophobicContact CG1-CD1 4.28Å; I575-I594 HydrophobicContact CD1-CD1 4.08Å; I592-I594 HydrophobicContact CG2-CG1 4.21Å; I594-I608 HydrophobicContact CG2-CG2 3.99Å; I594-L610 HydrophobicContact CD1-CD2 4.42Å; I594-L610 HydrophobicContact CG1-CD2 3.56Å |
| 595 | K | 35.8 | Very low | 36.7 | Very low | 69 Ų | 69 | 97.8 Ų | 97.8 | 30% | 0.3 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.1 | 167.6 | -62.5 | 179.9 | -175.3 | 163.3 | 0 | 109.6 | T593 Q609 H611 | T593-K595 HydrophobicContact CG2-CG 4.13Å; K595-Q609 HydrophobicContact CB-CB 4.04Å; K595-Q609 PolarHBondContact N-O 3.17Å; K595-Q609 PolarHBondContact O-N 3.17Å; K595-H611 WeakPolarHBondContact CE-CD2 3.33Å; K595-H611 WeakPolarHBondContact CE-NE2 3.31Å; K595-H611 PolarHBondContact NZ-CD2 3.23Å; K595-H611 PolarHBondContact NZ-NE2 3.43Å |
| 596 | G | 35.9 | Very low | 36.5 | Very low | 2 Ų | 2 | 89.4 Ų | 89.4 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R545 | R545-G596 PolarHBondContact N-O 2.67Å; R545-G596 VanDerWaalsContact N-O 3.13Å; R545-G596 PolarHBondContact O-N 3.04Å |
| 597 | H | 33 | Very low | 36.2 | Very low | 92 Ų | 92 | 87.4 Ų | 87.4 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131.4 | 175.9 | -98.5 | -96.3 | 0 | 0 | 0 | 110.7 | K544 W599 | K544-H597 WeakPolarHBondContact CD-NE2 3.3Å; K544-H597 WeakPolarHBondContact CE-CE1 3.32Å; K544-H597 VanDerWaalsContact CE-NE2 3.27Å; K544-H597 WeakPolarHBondContact CE-NE2 3.24Å; K544-H597 PolarHBondContact NZ-CE1 3.14Å; K544-H597 VanDerWaalsContact NZ-CE1 3.28Å; K544-H597 PolarHBondContact NZ-NE2 2.03Å; H597-W599 PolarHBondContact O-N 3.34Å |
| 598 | R | 34.3 | Very low | 35.9 | Very low | 188 Ų | 188 | 80.4 Ų | 80.4 | 71% | 0.709 | 38% | 0.381 | S | S | * | . | trans | 18.6 | 69.2 | 166.5 | -156 | -174.1 | -156.4 | 178.9 | 6.8 | 116.9 | R600 | R598-R600 VanDerWaalsContact C-N 3.34Å; R598-R600 PolarHBondContact O-N 2.67Å | ||
| 599 | W | 37.6 | Very low | 35.4 | Very low | 35 Ų | 35 | 80 Ų | 80 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | trans | -66.7 | 79.5 | 176.8 | -48.5 | 79.9 | 0 | 0 | 0 | 113.2 | H521 Q563 I573 H597 N606 I608 | H521-W599 PolarHBondContact CD2-O 2.78Å; Q563-W599 PolarHBondContact NE2-O 2.85Å; Q563-W599 VanDerWaalsContact OE1-CG 3.22Å; I573-W599 HydrophobicContact CD1-CH2 3.98Å; I573-W599 HydrophobicContact CD1-CZ3 3.68Å; H597-W599 PolarHBondContact O-N 3.34Å; W599-N606 HydrophobicContact CE3-CB 3.87Å; W599-N606 VanDerWaalsContact CE3-CG 3.48Å; W599-N606 HydrophobicContact CZ3-CB 3.84Å; W599-I608 HydrophobicContact CH2-CD1 3.95Å; W599-I608 HydrophobicContact CH2-CG1 3.79Å; W599-I608 HydrophobicContact CZ2-CG1 4.33Å | ||
| 600 | R | 29.4 | Very low | 34.9 | Very low | 170 Ų | 170 | 77 Ų | 77 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | trans | -94.7 | 141.5 | 162.8 | -81.3 | -173.5 | 170.8 | -178.2 | -5 | 109.1 | R598 | R598-R600 VanDerWaalsContact C-N 3.34Å; R598-R600 PolarHBondContact O-N 2.67Å | ||
| 601 | S | 31.4 | Very low | 34.6 | Very low | 54 Ų | 54 | 76.2 Ų | 76.2 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -65.4 | 156.6 | 165 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 602 | E | 26.7 | Very low | 34.3 | Very low | 172 Ų | 172 | 77.3 Ų | 77.3 | 80% | 0.804 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 74.4 | 99.3 | -175.5 | -55.9 | 179.1 | 178 | 0 | 0 | 113.4 | ||
| 603 | H | 27.1 | Very low | 33.9 | Very low | 183 Ų | 183 | 86.1 Ų | 86.1 | 85% | 0.847 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 58.2 | 67.1 | 161.7 | -51.6 | -78.2 | 0 | 0 | 0 | 118.3 | ||
| 604 | D | 27 | Very low | 33.6 | Very low | 123 Ų | 123 | 89.9 Ų | 89.9 | 66% | 0.658 | 42% | 0.418 | S | S | * | . | trans | -163.2 | 163.7 | 144.9 | -114.9 | -30.6 | 0 | 0 | 0 | 115.9 | N606 | D604-N606 PolarHBondContact O-N 2.82Å; D604-N606 VanDerWaalsContact O-N 3.09Å | ||
| 605 | N | 29.5 | Very low | 33 | Very low | 70 Ų | 70 | 94.3 Ų | 94.3 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | trans | -70.6 | 96.7 | -175 | -76.3 | -63 | 0 | 0 | 0 | 113.7 | S47 Q607 | S47-N605 PolarHBondContact OG-ND2 2.79Å; N605-Q607 VanDerWaalsContact C-N 3.34Å; N605-Q607 PolarHBondContact O-N 2.93Å | ||
| 606 | N | 31.4 | Very low | 32.9 | Very low | 66 Ų | 66 | 95.7 Ų | 95.7 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | trans | -68.9 | 82 | 170 | -75 | -40.4 | 0 | 0 | 0 | 112.2 | W599 D604 | W599-N606 HydrophobicContact CE3-CB 3.87Å; W599-N606 VanDerWaalsContact CE3-CG 3.48Å; W599-N606 HydrophobicContact CZ3-CB 3.84Å; D604-N606 PolarHBondContact O-N 2.82Å; D604-N606 VanDerWaalsContact O-N 3.09Å | ||
| 607 | Q | 31 | Very low | 32.7 | Very low | 87 Ų | 87 | 101.2 Ų | 101.2 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | trans | -72.6 | 127.3 | 171.8 | -72.7 | -168.9 | -2.4 | 0 | 0 | 111.8 | F17 N605 | F17-Q607 HydrophobicContact CE1-CG 4.37Å; F17-Q607 HydrophobicContact CZ-CB 4.3Å; F17-Q607 HydrophobicContact CZ-CG 4.07Å; N605-Q607 VanDerWaalsContact C-N 3.34Å; N605-Q607 PolarHBondContact O-N 2.93Å | ||
| 608 | I | 34.2 | Very low | 32.7 | Very low | 45 Ų | 45 | 101.8 Ų | 101.8 | 23% | 0.231 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 108.6 | 172.3 | -60.2 | -179.3 | 0 | 0 | 0 | 109.3 | I573 I575 I594 W599 L610 | I573-I608 HydrophobicContact CD1-CD1 3.99Å; I573-I608 HydrophobicContact CG2-CD1 3.91Å; I575-I608 HydrophobicContact CD1-CD1 4.26Å; I575-I608 HydrophobicContact CD1-CG2 4.43Å; I594-I608 HydrophobicContact CG2-CG2 3.99Å; W599-I608 HydrophobicContact CH2-CD1 3.95Å; W599-I608 HydrophobicContact CH2-CG1 3.79Å; W599-I608 HydrophobicContact CZ2-CG1 4.33Å; I608-L610 HydrophobicContact CG2-CG 4.41Å |
| 609 | Q | 35.3 | Very low | 32.5 | Very low | 54 Ų | 54 | 96 Ų | 96 | 25% | 0.252 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 105.7 | 176 | -89.9 | -175.2 | 1.5 | 0 | 0 | 110.5 | Y15 K595 | Y15-Q609 HydrophobicContact CE1-CB 4.35Å; Y15-Q609 HydrophobicContact CE1-CG 4.37Å; Y15-Q609 HydrophobicContact CE2-CB 4.25Å; Y15-Q609 HydrophobicContact CE2-CG 3.86Å; Y15-Q609 WeakPolarHBondContact OH-CA 3.48Å; Y15-Q609 VanDerWaalsContact OH-CB 3.29Å; Y15-Q609 WeakPolarHBondContact OH-CB 3.35Å; K595-Q609 HydrophobicContact CB-CB 4.04Å; K595-Q609 PolarHBondContact N-O 3.17Å; K595-Q609 PolarHBondContact O-N 3.17Å |
| 610 | L | 34.5 | Very low | 32.2 | Very low | 63 Ų | 63 | 100.4 Ų | 100.4 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 90 | 173 | -67.9 | 166.1 | 0 | 0 | 0 | 112.3 | Y15 I592 T593 I594 I608 L612 | Y15-L610 HydrophobicContact CE1-CB 4.38Å; Y15-L610 VanDerWaalsContact CE1-N 3.33Å; Y15-L610 VanDerWaalsContact CE1-O 3.26Å; Y15-L610 WeakPolarHBondContact CE1-O 3.11Å; Y15-L610 PolarHBondContact OH-N 2.77Å; Y15-L610 VanDerWaalsContact OH-N 3.16Å; Y15-L610 PolarHBondContact OH-O 2.84Å; I592-L610 HydrophobicContact CG2-CD2 3.52Å; T593-L610 CarbonylContact O-C 3.59Å; T593-L610 WeakPolarHBondContact O-CA 3.33Å; I594-L610 HydrophobicContact CD1-CD2 4.42Å; I594-L610 HydrophobicContact CG1-CD2 3.56Å; I608-L610 HydrophobicContact CG2-CG 4.41Å; L610-L612 PolarHBondContact O-N 2.86Å |
| 611 | H | 38.1 | Very low | 32.4 | Very low | 28 Ų | 28 | 95 Ų | 95 | 13% | 0.13 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.4 | 171.9 | -67.1 | -89.4 | 0 | 0 | 0 | 110.2 | T13 Y15 I592 T593 K595 | T13-H611 PolarHBondContact OG1-ND1 3.12Å; Y15-H611 AromaticContact CE2-CE1 3.66Å; Y15-H611 AromaticContact CE2-NE2 3.95Å; Y15-H611 AromaticContact CZ-CE1 3.98Å; Y15-H611 AromaticContact CZ-NE2 4Å; Y15-H611 PolarHBondContact OH-CD2 3.32Å; Y15-H611 PolarHBondContact OH-CE1 3.23Å; Y15-H611 PolarHBondContact OH-N 2.92Å; Y15-H611 PolarHBondContact OH-ND1 2.84Å; Y15-H611 PolarHBondContact OH-NE2 2.77Å; Y15-H611 VanDerWaalsContact OH-NE2 3.11Å; I592-H611 CarbonylContact C-O 3.6Å; I592-H611 WeakPolarHBondContact CA-O 3Å; T593-H611 PolarHBondContact N-O 3Å; T593-H611 PolarHBondContact O-N 2.91Å; K595-H611 WeakPolarHBondContact CE-CD2 3.33Å; K595-H611 WeakPolarHBondContact CE-NE2 3.31Å; K595-H611 PolarHBondContact NZ-CD2 3.23Å; K595-H611 PolarHBondContact NZ-NE2 3.43Å |
| 612 | L | 36.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.1 | 160.6 | -73.3 | 157 | 0 | 0 | 0 | 108.8 | I579 H591 I592 L610 | I579-L612 HydrophobicContact CD1-CD2 3.53Å; I579-L612 HydrophobicContact CG1-CD2 4.07Å; H591-L612 CarbonylContact O-C 3.56Å; H591-L612 WeakPolarHBondContact O-CA 3.29Å; I592-L612 HydrophobicContact CD1-CD2 4.17Å; I592-L612 HydrophobicContact CG1-CD2 3.58Å; I592-L612 HydrophobicContact CG1-CG 4.34Å; L610-L612 PolarHBondContact O-N 2.86Å |
| 613 | K | 38.9 | Very low | 33 | Very low | 194 Ų | 194 | 91.7 Ų | 91.7 | 84% | 0.843 | 45% | 0.448 | S | S | * | . | trans | -124 | 0 | 170.5 | -86.3 | -169.9 | 174.6 | -170.1 | 0 | 109.7 | H591 | H591-K613 HydrophobicContact CB-CB 4.15Å; H591-K613 PolarHBondContact N-O 3.29Å; H591-K613 PolarHBondContact O-N 3.06Å |
Retrieved 613 of 613 residues in 604.4 ms
(Link to these results)