| 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 | 33.2 | Very low | 27 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | 0 | 70.5 | 0 | -90.3 | -171 | -177.5 | 0 | 0 | 110.6 | C994 T995 P996 | M1-C994 VanDerWaalsContact CE-O 3.25Å; M1-C994 WeakPolarHBondContact CE-O 2.71Å; M1-T995 WeakPolarHBondContact CE-O 2.82Å; M1-P996 HydrophobicContact CE-CB 4.15Å; M1-P996 HydrophobicContact CE-CG 4.37Å; M1-P996 VanDerWaalsContact CE-N 3.25Å; M1-P996 HydrophobicContact SD-CB 4Å; M1-P996 HydrophobicContact SD-CG 4.42Å | |||
| 2 | T | 26.5 | Very low | 27.8 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | 54.4 | 92.7 | 112.4 | 38.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3 | S | 26.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -136.9 | 82 | 143.1 | 101.6 | 0 | 0 | 0 | 0 | 108.3 | A5 | S3-A5 PolarHBondContact O-N 3.38Š| ||
| 4 | H | 25.4 | Very low | 30.6 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | 2.7 | 82.8 | 123.8 | -87.9 | -54 | 0 | 0 | 0 | 109.9 | |||||
| 5 | A | 27.7 | Very low | 32.2 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -115.9 | 76.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | S3 K7 | S3-A5 PolarHBondContact O-N 3.38Å; A5-K7 PolarHBondContact O-N 3.46Å | ||
| 6 | N | 24.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | 59 | 71.3 | 129.3 | -98.5 | -7.6 | 0 | 0 | 0 | 111.6 | G8 | N6-G8 PolarHBondContact O-N 3.44Å; N6-G8 VanDerWaalsContact O-N 3.09Å | |||
| 7 | K | 25.2 | Very low | 34.8 | Very low | 218 Ų | 218 | 117.3 Ų | 117.3 | 95% | 0.948 | 65% | 0.647 | S | S | * | * | trans | -36.9 | 62.3 | 139.1 | -94 | -179 | -178 | -178.6 | 0 | 110.6 | A5 | A5-K7 PolarHBondContact O-N 3.46Š| ||
| 8 | G | 23.9 | Very low | 35.8 | Very low | 50 Ų | 50 | 110.9 Ų | 110.9 | 52% | 0.515 | 61% | 0.613 | S | S | . | * | trans | -81.6 | 87.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | N6 N10 | N6-G8 PolarHBondContact O-N 3.44Å; N6-G8 VanDerWaalsContact O-N 3.09Å; G8-N10 PolarHBondContact O-N 3.27Å | ||
| 9 | Q | 24.8 | Very low | 36.8 | Very low | 183 Ų | 183 | 105.6 Ų | 105.6 | 86% | 0.855 | 58% | 0.583 | S | S | * | * | trans | 25 | 62.6 | 132.7 | -92.4 | -171.5 | -9.8 | 0 | 0 | 111.8 | T11 | Q9-T11 PolarHBondContact O-N 3.2Š| ||
| 10 | N | 28.6 | Very low | 37.7 | Very low | 152 Ų | 152 | 100.8 Ų | 100.8 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | trans | -59 | 68.4 | 175.1 | -97.3 | -11.8 | 0 | 0 | 0 | 107.6 | G8 D12 | G8-N10 PolarHBondContact O-N 3.27Å; N10-D12 PolarHBondContact O-N 2.98Å; N10-D12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | T | 30.5 | Very low | 38.6 | Very low | 108 Ų | 108 | 97.2 Ų | 97.2 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | trans | -5 | 91.3 | 147.6 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | Q9 S13 | Q9-T11 PolarHBondContact O-N 3.2Å; T11-S13 PolarHBondContact O-N 3.09Å | ||
| 12 | D | 37.4 | Very low | 39.3 | Very low | 145 Ų | 145 | 95.6 Ų | 95.6 | 78% | 0.775 | 54% | 0.542 | S | S | * | . | trans | 3.4 | 43.5 | 136.8 | -83.5 | -12.8 | 0 | 0 | 0 | 110.9 | N10 | N10-D12 PolarHBondContact O-N 2.98Å; N10-D12 VanDerWaalsContact O-N 3.11Å | ||
| 13 | S | 44.6 | Very low | 40.5 | Very low | 55 Ų | 55 | 96.4 Ų | 96.4 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | trans | -100.1 | 129 | -177.3 | 67.3 | 0 | 0 | 0 | 0 | 107.8 | T11 F15 | T11-S13 PolarHBondContact O-N 3.09Å; S13-F15 WeakPolarHBondContact O-CD2 2.82Å; S13-F15 WeakPolarHBondContact O-CE2 3.39Å; S13-F15 PolarHBondContact O-N 2.87Å | ||
| 14 | M | 49.6 | Very low | 42.2 | Very low | 106 Ų | 106 | 93.4 Ų | 93.4 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | trans | -29.1 | 123.1 | 165.6 | -163.5 | 170.5 | 100.4 | 0 | 0 | 111.5 | N175 | M14-N175 HydrophobicContact CE-CB 4.33Å; M14-N175 VanDerWaalsContact CE-CG 3.48Å; M14-N175 WeakPolarHBondContact CE-ND2 2.79Å; M14-N175 HydrophobicContact CG-CB 4.19Å; M14-N175 HydrophobicContact SD-CB 4.36Å; M14-N175 PolarHBondContact SD-ND2 2.9Å | ||
| 15 | F | 54.7 | Low | 44.2 | Very low | 103 Ų | 103 | 86.9 Ų | 86.9 | 45% | 0.452 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.1 | 176 | -61.7 | -86.2 | 0 | 0 | 0 | 111 | S13 N175 L176 | S13-F15 WeakPolarHBondContact O-CD2 2.82Å; S13-F15 WeakPolarHBondContact O-CE2 3.39Å; S13-F15 PolarHBondContact O-N 2.87Å; F15-N175 CarbonylContact O-C 3.46Å; F15-N175 WeakPolarHBondContact O-CA 3.15Å; F15-L176 PolarHBondContact N-O 3.47Å; F15-L176 PolarHBondContact O-N 3.49Å |
| 16 | S | 52.5 | Low | 46.6 | Very low | 48 Ų | 48 | 83 Ų | 83 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.3 | 173.2 | -49.6 | 0 | 0 | 0 | 0 | 110.1 | V174 N175 | S16-V174 CarbonylContact C-O 3.58Å; S16-V174 VanDerWaalsContact CA-O 3.24Å; S16-V174 WeakPolarHBondContact CA-O 2.76Å; S16-N175 WeakPolarHBondContact CB-OD1 3.31Å; S16-N175 PolarHBondContact OG-OD1 3.39Å |
| 17 | F | 56.7 | Low | 49.4 | Very low | 18 Ų | 18 | 79.1 Ų | 79.1 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.2 | 176.8 | 69.5 | -88.3 | 0 | 0 | 0 | 109.9 | V174 L176 I260 W261 | F17-V174 PolarHBondContact N-O 3.28Å; F17-V174 PolarHBondContact O-N 3.45Å; F17-L176 HydrophobicContact CD1-CD1 3.75Å; F17-L176 HydrophobicContact CD1-CG 4.19Å; F17-L176 HydrophobicContact CE1-CD1 3Å; F17-L176 HydrophobicContact CE1-CD2 4.28Å; F17-L176 HydrophobicContact CE1-CG 3.53Å; F17-L176 HydrophobicContact CZ-CD1 3.9Å; F17-I260 HydrophobicContact CZ-CB 4.36Å; F17-I260 HydrophobicContact CZ-CG2 4.11Å; F17-W261 HydrophobicContact CD2-CB 4.11Å; F17-W261 HydrophobicContact CE2-CB 3.28Å; F17-W261 HydrophobicContact CE2-CG 4.17Å; F17-W261 HydrophobicContact CZ-CB 4.04Å |
| 18 | G | 52.7 | Low | 52.2 | Low | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | trans | -129 | 154.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V20 S21 D171 | G18-V20 PolarHBondContact O-N 2.92Å; G18-S21 PolarHBondContact O-N 3.28Å; G18-S21 PolarHBondContact O-OG 3.18Å; G18-D171 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 19 | L | 55.2 | Low | 55.2 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.7 | -179.5 | -151.5 | 126.4 | 0 | 0 | 0 | 111.9 | C24 I125 I129 V169 D171 F258 | L19-C24 WeakPolarHBondContact O-CB 3.09Å; L19-I125 HydrophobicContact CD1-CD1 3.33Å; L19-I125 HydrophobicContact CD1-CG1 4.19Å; L19-I125 HydrophobicContact CD2-CD1 4.25Å; L19-I125 HydrophobicContact CG-CD1 4.29Å; L19-I129 HydrophobicContact CD1-CD1 3.91Å; L19-I129 HydrophobicContact CD1-CG1 4.48Å; L19-I129 HydrophobicContact CD2-CD1 3.39Å; L19-I129 HydrophobicContact CD2-CG1 3.8Å; L19-I129 HydrophobicContact CG-CD1 4.49Å; L19-V169 HydrophobicContact CB-CG1 3.99Å; L19-V169 HydrophobicContact CD1-CG1 4.38Å; L19-V169 HydrophobicContact CD2-CB 4.24Å; L19-V169 HydrophobicContact CD2-CG1 3.19Å; L19-V169 HydrophobicContact CD2-CG2 4.03Å; L19-V169 HydrophobicContact CG-CG1 4.06Å; L19-D171 PolarHBondContact N-OD1 2.93Å; L19-D171 PolarHBondContact N-OD2 3.38Å; L19-F258 HydrophobicContact CB-CD2 4.33Å; L19-F258 HydrophobicContact CB-CE2 4.18Å; L19-F258 HydrophobicContact CD1-CD2 3.24Å; L19-F258 HydrophobicContact CD1-CE1 3.96Å; L19-F258 HydrophobicContact CD1-CE2 3.12Å; L19-F258 HydrophobicContact CD1-CG 4.21Å; L19-F258 HydrophobicContact CD1-CZ 2.95Å; L19-F258 HydrophobicContact CG-CD2 3.81Å; L19-F258 HydrophobicContact CG-CE2 3.85Å; L19-F258 HydrophobicContact CG-CZ 3.95Å |
| 20 | V | 54.1 | Low | 58.1 | Low | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 30.6 | -175.5 | -170.7 | 0 | 0 | 0 | 0 | 107.9 | G18 V169 D171 T344 L346 K372 | G18-V20 PolarHBondContact O-N 2.92Å; V20-V169 HydrophobicContact CG2-CB 4Å; V20-V169 HydrophobicContact CG2-CG1 3.71Å; V20-D171 WeakPolarHBondContact CA-OD2 3.48Å; V20-D171 HydrophobicContact CB-CB 4.45Å; V20-D171 WeakPolarHBondContact CB-OD2 3.35Å; V20-D171 HydrophobicContact CG2-CB 3.98Å; V20-D171 WeakPolarHBondContact CG2-OD2 3.17Å; V20-D171 PolarHBondContact N-OD2 3.45Å; V20-T344 HydrophobicContact CG1-CG2 3.77Å; V20-T344 HydrophobicContact CG2-CG2 4.43Å; V20-L346 HydrophobicContact CG1-CD2 4.27Å; V20-K372 HydrophobicContact CG1-CD 3.9Å; V20-K372 HydrophobicContact CG1-CG 4.03Å; V20-K372 WeakPolarHBondContact O-CE 3.09Å; V20-K372 PolarHBondContact O-NZ 3.29Å |
| 21 | S | 56 | Low | 60.8 | Low | 26 Ų | 26 | 55.6 Ų | 55.6 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -76.2 | 144.7 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 108.2 | G18 Q23 C24 | G18-S21 PolarHBondContact O-N 3.28Å; G18-S21 PolarHBondContact O-OG 3.18Å; S21-Q23 PolarHBondContact O-N 2.89Å; S21-C24 PolarHBondContact O-N 3.28Å |
| 22 | S | 48.5 | Very low | 63.2 | Low | 114 Ų | 114 | 52.5 Ų | 52.5 | 80% | 0.797 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.8 | -8.3 | 176.8 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 23 | Q | 52.9 | Low | 65.3 | Low | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -3.3 | -174.7 | -65.8 | 179.4 | -0.6 | 0 | 0 | 111.8 | S21 S64 | S21-Q23 PolarHBondContact O-N 2.89Å; Q23-S64 WeakPolarHBondContact O-CB 3.45Å |
| 24 | C | 60.1 | Low | 67.4 | Low | 47 Ų | 47 | 47.8 Ų | 47.8 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | trans | -112.3 | 118.2 | -172.8 | -73.4 | 0 | 0 | 0 | 0 | 108.6 | L19 S21 S64 | L19-C24 WeakPolarHBondContact O-CB 3.09Å; S21-C24 PolarHBondContact O-N 3.28Å; C24-S64 CarbonylContact C-O 3.54Å; C24-S64 WeakPolarHBondContact CA-O 3.33Å | ||
| 25 | S | 68.8 | Low | 69 | Low | 46 Ų | 46 | 42.9 Ų | 42.9 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 112 | S64 S65 L66 | S25-S64 PolarHBondContact N-O 3.08Å; S25-S65 CarbonylContact O-C 3.53Å; S25-S65 WeakPolarHBondContact O-CA 2.5Å; S25-S65 PolarHBondContact OG-OG 3.19Å; S25-L66 PolarHBondContact O-N 3.43Å |
| 26 | V | 77.4 | Confident | 70.4 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.5 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | L66 V68 F131 L346 L370 | V26-L66 CarbonylContact C-O 3.55Å; V26-L66 VanDerWaalsContact CA-O 3.31Å; V26-L66 WeakPolarHBondContact CA-O 3.39Å; V26-L66 HydrophobicContact CG1-CD2 4.27Å; V26-L66 HydrophobicContact CG2-CB 4.39Å; V26-L66 HydrophobicContact CG2-CD2 4.39Å; V26-V68 HydrophobicContact CG1-CG2 4.29Å; V26-F131 HydrophobicContact CG1-CE1 4.32Å; V26-F131 HydrophobicContact CG1-CZ 4.2Å; V26-L346 HydrophobicContact CB-CD1 4.24Å; V26-L346 HydrophobicContact CG2-CD1 3.75Å; V26-L370 HydrophobicContact CB-CB 4.14Å; V26-L370 HydrophobicContact CB-CD1 4.25Å; V26-L370 HydrophobicContact CG1-CB 4.44Å; V26-L370 HydrophobicContact CG1-CD1 3.61Å; V26-L370 HydrophobicContact CG1-CG 4.38Å; V26-L370 WeakPolarHBondContact O-CB 3.07Å; V26-L370 PolarHBondContact O-N 3.15Å |
| 27 | K | 82.8 | Confident | 72 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.2 | 176.8 | -65.1 | -175.7 | -179.6 | 176.2 | 0 | 112.1 | L66 N67 V68 T367 W368 N369 | K27-L66 PolarHBondContact N-O 2.8Å; K27-N67 WeakPolarHBondContact CB-OD1 3.11Å; K27-N67 CarbonylContact O-C 3.51Å; K27-N67 WeakPolarHBondContact O-CA 3.4Å; K27-V68 PolarHBondContact O-N 3Å; K27-T367 HydrophobicContact CB-CG2 4.44Å; K27-W368 CarbonylContact C-O 3.4Å; K27-W368 WeakPolarHBondContact CA-O 3.35Å; K27-N369 WeakPolarHBondContact CG-OD1 3.17Å |
| 28 | F | 85.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114 | 179.2 | -173.3 | -94.9 | 0 | 0 | 0 | 108.3 | I30 L54 V68 I70 I87 F163 V165 T367 W368 L370 | F28-I30 HydrophobicContact CE1-CB 4.23Å; F28-L54 HydrophobicContact CZ-CD1 4.08Å; F28-V68 CarbonylContact C-O 3.4Å; F28-V68 HydrophobicContact CD2-CB 3.99Å; F28-V68 HydrophobicContact CD2-CG1 3.8Å; F28-V68 HydrophobicContact CE2-CG1 3.92Å; F28-I70 HydrophobicContact CE1-CG1 4.01Å; F28-I70 HydrophobicContact CE2-CD1 3.93Å; F28-I70 HydrophobicContact CE2-CG1 3.75Å; F28-I70 HydrophobicContact CZ-CD1 3.95Å; F28-I70 HydrophobicContact CZ-CG1 3.37Å; F28-I87 HydrophobicContact CE2-CD1 3.53Å; F28-I87 HydrophobicContact CZ-CD1 4.22Å; F28-F163 HydrophobicContact CE1-CE1 4.3Å; F28-F163 HydrophobicContact CE1-CZ 4.21Å; F28-V165 HydrophobicContact CD1-CG2 4.02Å; F28-V165 HydrophobicContact CD2-CG1 3.94Å; F28-V165 HydrophobicContact CE1-CG2 3.95Å; F28-V165 HydrophobicContact CE2-CG1 4.15Å; F28-V165 HydrophobicContact CG-CG1 4.19Å; F28-V165 HydrophobicContact CG-CG2 4.41Å; F28-V165 HydrophobicContact CZ-CG2 4.33Å; F28-T367 CarbonylContact O-C 3.51Å; F28-T367 WeakPolarHBondContact O-CA 3.03Å; F28-W368 HydrophobicContact CB-CB 4.24Å; F28-W368 AromaticContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CZ3 4.28Å; F28-W368 PolarHBondContact N-O 3.18Å; F28-W368 PolarHBondContact O-N 3.4Å; F28-L370 HydrophobicContact CB-CG 4.49Å |
| 29 | M | 85.8 | Confident | 75 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.8 | -178.1 | -55.9 | 170.5 | 64.5 | 0 | 0 | 112.6 | N67 V68 I69 I70 Y365 F366 T367 | M29-N67 HydrophobicContact SD-CB 4.24Å; M29-V68 WeakPolarHBondContact CA-O 2.69Å; M29-V68 PolarHBondContact N-O 2.95Å; M29-I69 CarbonylContact O-C 3.29Å; M29-I69 WeakPolarHBondContact O-CA 2.83Å; M29-I69 HydrophobicContact SD-CG1 4.26Å; M29-I70 PolarHBondContact O-N 2.76Å; M29-Y365 HydrophobicContact CB-CD1 4.4Å; M29-Y365 HydrophobicContact CE-CD2 4.37Å; M29-Y365 HydrophobicContact CE-CG 4.16Å; M29-F366 CarbonylContact C-O 3.6Å; M29-F366 VanDerWaalsContact CA-O 3.27Å; M29-F366 WeakPolarHBondContact CA-O 3.14Å; M29-T367 HydrophobicContact CG-CG2 3.88Å |
| 30 | I | 86.6 | Confident | 76.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.6 | -179.9 | -172 | 164.7 | 0 | 0 | 0 | 109.9 | F28 V34 C35 L54 I70 Y365 F366 W368 | F28-I30 HydrophobicContact CE1-CB 4.23Å; I30-V34 HydrophobicContact CD1-CB 4.27Å; I30-V34 HydrophobicContact CD1-CG1 3.79Å; I30-V34 HydrophobicContact CG1-CB 3.9Å; I30-V34 HydrophobicContact CG1-CG1 3.94Å; I30-C35 WeakPolarHBondContact CG2-SG 3.47Å; I30-L54 HydrophobicContact CD1-CD1 4.41Å; I30-L54 HydrophobicContact CD1-CD2 4.2Å; I30-I70 HydrophobicContact CB-CB 4.17Å; I30-I70 HydrophobicContact CD1-CG2 4.26Å; I30-I70 HydrophobicContact CG1-CB 3.98Å; I30-I70 HydrophobicContact CG1-CG2 4.03Å; I30-Y365 CarbonylContact O-C 3.54Å; I30-Y365 WeakPolarHBondContact O-CA 3.36Å; I30-F366 HydrophobicContact CG2-CB 3.45Å; I30-F366 VanDerWaalsContact CG2-CB 3.45Å; I30-F366 HydrophobicContact CG2-CD2 4.17Å; I30-F366 HydrophobicContact CG2-CG 4.34Å; I30-F366 PolarHBondContact N-O 2.99Å; I30-F366 PolarHBondContact O-N 3.22Å; I30-W368 HydrophobicContact CB-CZ3 4.16Å; I30-W368 HydrophobicContact CG2-CE3 4.29Å; I30-W368 HydrophobicContact CG2-CH2 3.57Å; I30-W368 HydrophobicContact CG2-CZ3 3.11Å |
| 31 | R | 84.9 | Confident | 78 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 33% | 0.328 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 142.9 | 177.8 | -77.3 | -171.5 | 174 | -173.2 | -0.9 | 111.9 | E33 V34 C35 I70 Y365 | R31-E33 WeakPolarHBondContact CB-OE2 3.17Å; R31-E33 PolarHBondContact O-N 2.88Å; R31-V34 HydrophobicContact CB-CG2 3.93Å; R31-V34 WeakPolarHBondContact O-CB 3.25Å; R31-V34 PolarHBondContact O-N 3.25Å; R31-C35 PolarHBondContact O-N 3.01Å; R31-I70 PolarHBondContact N-O 2.88Å; R31-Y365 HydrophobicContact CB-CD1 4.26Å; R31-Y365 HydrophobicContact CB-CE1 4.18Å; R31-Y365 HydrophobicContact CG-CD1 3.53Å; R31-Y365 HydrophobicContact CG-CE1 3Å; R31-Y365 PolarHBondContact NE-OH 3.04Å; R31-Y365 PolarHBondContact NH2-OH 3.47Å |
| 32 | K | 80.3 | Confident | 79.4 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -37.6 | -178.6 | -75.1 | -175.8 | -177.5 | 179.4 | 0 | 111.8 | V34 C35 K36 S363 E364 F366 | K32-V34 PolarHBondContact O-N 3.48Å; K32-C35 PolarHBondContact O-N 2.96Å; K32-C35 VanDerWaalsContact O-N 3.12Å; K32-K36 WeakPolarHBondContact O-CG 3.47Å; K32-K36 PolarHBondContact O-N 3.5Å; K32-S363 WeakPolarHBondContact CD-O 3.14Å; K32-S363 WeakPolarHBondContact CE-O 3.34Å; K32-S363 PolarHBondContact NZ-O 3.49Å; K32-E364 WeakPolarHBondContact CG-O 3.08Å; K32-E364 PolarHBondContact N-O 3.22Å; K32-F366 HydrophobicContact CB-CD2 4.48Å; K32-F366 HydrophobicContact CB-CE2 4.03Å; K32-F366 HydrophobicContact CD-CE2 4.41Å; K32-F366 HydrophobicContact CD-CZ 4.39Å; K32-F366 HydrophobicContact CG-CD2 3.83Å; K32-F366 HydrophobicContact CG-CE2 3.45Å; K32-F366 VanDerWaalsContact CG-CE2 3.45Å; K32-F366 HydrophobicContact CG-CZ 3.87Å |
| 33 | E | 82.8 | Confident | 80.9 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -35.7 | 179.2 | -65.1 | 89 | -178.3 | 0 | 0 | 112.2 | R31 K36 L37 | R31-E33 WeakPolarHBondContact CB-OE2 3.17Å; R31-E33 PolarHBondContact O-N 2.88Å; E33-K36 PolarHBondContact O-N 2.86Å; E33-L37 WeakPolarHBondContact O-CB 3.45Å; E33-L37 PolarHBondContact O-N 3.31Å |
| 34 | V | 87.5 | Confident | 82.4 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.6 | -41.3 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | I30 R31 K32 K36 L37 A38 L54 I70 N71 I73 | I30-V34 HydrophobicContact CD1-CB 4.27Å; I30-V34 HydrophobicContact CD1-CG1 3.79Å; I30-V34 HydrophobicContact CG1-CB 3.9Å; I30-V34 HydrophobicContact CG1-CG1 3.94Å; R31-V34 HydrophobicContact CB-CG2 3.93Å; R31-V34 WeakPolarHBondContact O-CB 3.25Å; R31-V34 PolarHBondContact O-N 3.25Å; K32-V34 PolarHBondContact O-N 3.48Å; V34-K36 VanDerWaalsContact C-N 3.25Å; V34-K36 PolarHBondContact O-N 3.36Å; V34-L37 PolarHBondContact O-N 3.22Å; V34-A38 WeakPolarHBondContact O-CB 3Å; V34-A38 PolarHBondContact O-N 3.21Å; V34-L54 HydrophobicContact CG1-CD2 3.99Å; V34-I70 HydrophobicContact CG1-CG2 4.37Å; V34-N71 VanDerWaalsContact CG2-C 3.49Å; V34-N71 VanDerWaalsContact CG2-O 3.3Å; V34-N71 WeakPolarHBondContact CG2-O 3.01Å; V34-I73 HydrophobicContact CG1-CB 3.89Å; V34-I73 HydrophobicContact CG1-CG2 4.13Å |
| 35 | C | 84.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 178.9 | -72.1 | 0 | 0 | 0 | 0 | 111.1 | I30 R31 K32 L37 A38 Y39 Y159 F160 F366 | I30-C35 WeakPolarHBondContact CG2-SG 3.47Å; R31-C35 PolarHBondContact O-N 3.01Å; K32-C35 PolarHBondContact O-N 2.96Å; K32-C35 VanDerWaalsContact O-N 3.12Å; C35-L37 VanDerWaalsContact C-N 3.32Å; C35-A38 WeakPolarHBondContact O-CB 3.02Å; C35-A38 PolarHBondContact O-N 3.05Å; C35-Y39 PolarHBondContact O-N 2.92Å; C35-Y159 HydrophobicContact CB-CD2 4.03Å; C35-Y159 HydrophobicContact CB-CE2 4.45Å; C35-F160 HydrophobicContact CB-CE2 4.18Å; C35-F366 HydrophobicContact CB-CD2 4.22Å; C35-F366 HydrophobicContact CB-CE2 4.13Å |
| 36 | K | 82.3 | Confident | 84 | Confident | 94 Ų | 94 | 58 Ų | 58 | 41% | 0.409 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.6 | -73.5 | -175.2 | -171.5 | 177.7 | 0 | 113.1 | K32 E33 V34 A38 Y39 R40 Y159 | K32-K36 WeakPolarHBondContact O-CG 3.47Å; K32-K36 PolarHBondContact O-N 3.5Å; E33-K36 PolarHBondContact O-N 2.86Å; V34-K36 VanDerWaalsContact C-N 3.25Å; V34-K36 PolarHBondContact O-N 3.36Å; K36-A38 PolarHBondContact O-N 3.44Å; K36-Y39 WeakPolarHBondContact O-CB 3.32Å; K36-Y39 PolarHBondContact O-N 3.4Å; K36-R40 WeakPolarHBondContact O-CG 3.14Å; K36-R40 PolarHBondContact O-N 2.98Å; K36-Y159 HydrophobicContact CB-CE1 4.01Å; K36-Y159 HydrophobicContact CB-CE2 4.44Å; K36-Y159 HydrophobicContact CD-CE1 4.3Å; K36-Y159 HydrophobicContact CD-CE2 4.4Å; K36-Y159 WeakPolarHBondContact CD-OH 3.35Å; K36-Y159 WeakPolarHBondContact CE-OH 2.85Å; K36-Y159 HydrophobicContact CG-CD1 4.36Å; K36-Y159 HydrophobicContact CG-CD2 4.44Å; K36-Y159 HydrophobicContact CG-CE1 3.37Å; K36-Y159 HydrophobicContact CG-CE2 3.46Å; K36-Y159 VanDerWaalsContact CG-CE2 3.46Å; K36-Y159 WeakPolarHBondContact CG-OH 3.2Å |
| 37 | L | 87.1 | Confident | 84.2 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 40% | 0.398 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 176.6 | -175.5 | 61.6 | 0 | 0 | 0 | 112.3 | E33 V34 C35 Y39 R40 M41 I73 | E33-L37 WeakPolarHBondContact O-CB 3.45Å; E33-L37 PolarHBondContact O-N 3.31Å; V34-L37 PolarHBondContact O-N 3.22Å; C35-L37 VanDerWaalsContact C-N 3.32Å; L37-Y39 VanDerWaalsContact C-N 3.26Å; L37-Y39 PolarHBondContact O-N 3.42Å; L37-R40 PolarHBondContact O-N 3.13Å; L37-M41 HydrophobicContact CG-CG 4.42Å; L37-M41 HydrophobicContact CG-SD 4.29Å; L37-M41 WeakPolarHBondContact O-CB 3.35Å; L37-M41 WeakPolarHBondContact O-CG 3.23Å; L37-M41 PolarHBondContact O-N 3Å; L37-I73 HydrophobicContact CB-CG2 4.12Å; L37-I73 HydrophobicContact CD2-CG2 3.25Å; L37-I73 HydrophobicContact CG-CG2 3.77Å |
| 38 | A | 87.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V34 C35 K36 R40 M41 I42 I73 F89 L91 F160 | V34-A38 WeakPolarHBondContact O-CB 3Å; V34-A38 PolarHBondContact O-N 3.21Å; C35-A38 WeakPolarHBondContact O-CB 3.02Å; C35-A38 PolarHBondContact O-N 3.05Å; K36-A38 PolarHBondContact O-N 3.44Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.22Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 3.24Å; A38-I42 PolarHBondContact O-N 3.16Å; A38-I42 VanDerWaalsContact O-N 3.13Å; A38-I73 HydrophobicContact CB-CD1 3.67Å; A38-F89 HydrophobicContact CB-CE1 3.9Å; A38-L91 HydrophobicContact CB-CD1 3.93Å; A38-L91 HydrophobicContact CB-CD2 4.17Å; A38-F160 HydrophobicContact CB-CE1 4.5Å; A38-F160 HydrophobicContact CB-CE2 4.48Å; A38-F160 HydrophobicContact CB-CZ 3.64Å |
| 39 | Y | 85.5 | Confident | 84.2 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 179.1 | 177.7 | -104.9 | 0 | 0 | 0 | 110.3 | C35 K36 L37 M41 I42 T43 V137 Y159 | C35-Y39 PolarHBondContact O-N 2.92Å; K36-Y39 WeakPolarHBondContact O-CB 3.32Å; K36-Y39 PolarHBondContact O-N 3.4Å; L37-Y39 VanDerWaalsContact C-N 3.26Å; L37-Y39 PolarHBondContact O-N 3.42Å; Y39-M41 VanDerWaalsContact C-N 3.28Å; Y39-M41 PolarHBondContact O-N 2.99Å; Y39-I42 WeakPolarHBondContact O-CG2 3.16Å; Y39-I42 PolarHBondContact O-N 3.48Å; Y39-T43 HydrophobicContact CD1-CG2 4.13Å; Y39-T43 HydrophobicContact CD2-CG2 4.28Å; Y39-T43 HydrophobicContact CE1-CG2 3.76Å; Y39-T43 HydrophobicContact CE2-CG2 3.94Å; Y39-T43 HydrophobicContact CG-CG2 4.37Å; Y39-T43 WeakPolarHBondContact O-CB 3.37Å; Y39-T43 VanDerWaalsContact O-CG2 3.24Å; Y39-T43 WeakPolarHBondContact O-CG2 3.41Å; Y39-T43 PolarHBondContact O-N 3.06Å; Y39-T43 PolarHBondContact O-OG1 3.44Å; Y39-V137 HydrophobicContact CD2-CG1 4.3Å; Y39-V137 HydrophobicContact CD2-CG2 4.23Å; Y39-V137 HydrophobicContact CE2-CG1 3.59Å; Y39-V137 HydrophobicContact CE2-CG2 4.33Å; Y39-Y159 HydrophobicContact CD1-CD1 4.08Å; Y39-Y159 HydrophobicContact CD2-CD1 4.36Å; Y39-Y159 WeakPolarHBondContact CD2-O 2.98Å; Y39-Y159 WeakPolarHBondContact CE2-O 3.29Å; Y39-Y159 AromaticContact CG-CD1 3.81Å; Y39-Y159 HydrophobicContact CG-CD1 3.81Å; Y39-Y159 HydrophobicContact CG-CG 4.45Å |
| 40 | R | 84.2 | Confident | 84.2 | Confident | 139 Ų | 139 | 66 Ų | 66 | 53% | 0.525 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 179.7 | -76.8 | -176.3 | 178.9 | 172.7 | 2.2 | 111.2 | K36 L37 A38 I42 T43 R44 | K36-R40 WeakPolarHBondContact O-CG 3.14Å; K36-R40 PolarHBondContact O-N 2.98Å; L37-R40 PolarHBondContact O-N 3.13Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.22Å; R40-I42 VanDerWaalsContact C-N 3.3Å; R40-I42 PolarHBondContact O-N 2.74Å; R40-T43 VanDerWaalsContact C-OG1 3.31Å; R40-T43 VanDerWaalsContact CA-OG1 3.28Å; R40-T43 WeakPolarHBondContact CA-OG1 2.8Å; R40-T43 PolarHBondContact O-N 3.17Å; R40-T43 PolarHBondContact O-OG1 3.01Å; R40-R44 WeakPolarHBondContact O-CB 2.98Å; R40-R44 WeakPolarHBondContact O-CG 2.72Å; R40-R44 PolarHBondContact O-N 3.15Å |
| 41 | M | 87.6 | Confident | 84.2 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 20% | 0.197 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | -179.6 | -75 | 177.7 | 85.2 | 0 | 0 | 111.7 | L37 A38 Y39 R44 C45 L50 T52 I73 Q75 | L37-M41 HydrophobicContact CG-CG 4.42Å; L37-M41 HydrophobicContact CG-SD 4.29Å; L37-M41 WeakPolarHBondContact O-CB 3.35Å; L37-M41 WeakPolarHBondContact O-CG 3.23Å; L37-M41 PolarHBondContact O-N 3Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 3.24Å; Y39-M41 VanDerWaalsContact C-N 3.28Å; Y39-M41 PolarHBondContact O-N 2.99Å; M41-R44 PolarHBondContact O-N 3.17Å; M41-C45 WeakPolarHBondContact O-CB 3.32Å; M41-C45 PolarHBondContact O-N 2.43Å; M41-C45 VanDerWaalsContact O-N 3.14Å; M41-L50 HydrophobicContact CB-CD2 3.75Å; M41-L50 HydrophobicContact CE-CD2 4.02Å; M41-T52 HydrophobicContact CE-CG2 3.89Å; M41-I73 HydrophobicContact SD-CD1 4.02Å; M41-I73 HydrophobicContact SD-CG1 4.22Å; M41-I73 HydrophobicContact SD-CG2 4.18Å; M41-Q75 HydrophobicContact CE-CB 4Å |
| 42 | I | 84.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -78.2 | -32.4 | -175.1 | -171.1 | 56.3 | 0 | 0 | 0 | 109.5 | A38 Y39 R40 R44 C45 L50 L91 K93 V137 | A38-I42 PolarHBondContact O-N 3.16Å; A38-I42 VanDerWaalsContact O-N 3.13Å; Y39-I42 WeakPolarHBondContact O-CG2 3.16Å; Y39-I42 PolarHBondContact O-N 3.48Å; R40-I42 VanDerWaalsContact C-N 3.3Å; R40-I42 PolarHBondContact O-N 2.74Å; I42-R44 PolarHBondContact O-N 2.68Å; I42-C45 HydrophobicContact CD1-CB 4.49Å; I42-C45 PolarHBondContact O-N 3.09Å; I42-L50 HydrophobicContact CD1-CB 3.84Å; I42-L91 HydrophobicContact CB-CB 4.22Å; I42-L91 HydrophobicContact CD1-CB 4.12Å; I42-L91 WeakPolarHBondContact CD1-O 3.41Å; I42-L91 HydrophobicContact CG1-CB 4.27Å; I42-K93 HydrophobicContact CD1-CG 4.15Å; I42-K93 HydrophobicContact CG1-CG 3.84Å; I42-K93 VanDerWaalsContact O-CE 3.24Å; I42-K93 WeakPolarHBondContact O-CE 3.36Å; I42-V137 HydrophobicContact CG1-CG2 4.41Å; I42-V137 HydrophobicContact CG2-CG2 3.45Å; I42-V137 VanDerWaalsContact CG2-CG2 3.45Å |
| 43 | T | 80.5 | Confident | 84.9 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.6 | -27.3 | 179.8 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | Y39 R40 C45 | Y39-T43 HydrophobicContact CD1-CG2 4.13Å; Y39-T43 HydrophobicContact CD2-CG2 4.28Å; Y39-T43 HydrophobicContact CE1-CG2 3.76Å; Y39-T43 HydrophobicContact CE2-CG2 3.94Å; Y39-T43 HydrophobicContact CG-CG2 4.37Å; Y39-T43 WeakPolarHBondContact O-CB 3.37Å; Y39-T43 VanDerWaalsContact O-CG2 3.24Å; Y39-T43 WeakPolarHBondContact O-CG2 3.41Å; Y39-T43 PolarHBondContact O-N 3.06Å; Y39-T43 PolarHBondContact O-OG1 3.44Å; R40-T43 VanDerWaalsContact C-OG1 3.31Å; R40-T43 VanDerWaalsContact CA-OG1 3.28Å; R40-T43 WeakPolarHBondContact CA-OG1 2.8Å; R40-T43 PolarHBondContact O-N 3.17Å; R40-T43 PolarHBondContact O-OG1 3.01Å; T43-C45 VanDerWaalsContact C-N 3.35Å |
| 44 | R | 82.9 | Confident | 85.3 | Confident | 204 Ų | 204 | 65.4 Ų | 65.4 | 77% | 0.77 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -89.8 | -12 | 179.7 | -75.3 | -170.1 | -178.4 | 172.3 | 0.3 | 111.1 | R40 M41 I42 | R40-R44 WeakPolarHBondContact O-CB 2.98Å; R40-R44 WeakPolarHBondContact O-CG 2.72Å; R40-R44 PolarHBondContact O-N 3.15Å; M41-R44 PolarHBondContact O-N 3.17Å; I42-R44 PolarHBondContact O-N 2.68Å |
| 45 | C | 82.3 | Confident | 85.3 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | trans | -78.2 | 133.7 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | M41 I42 T43 Q47 K93 | M41-C45 WeakPolarHBondContact O-CB 3.32Å; M41-C45 PolarHBondContact O-N 2.43Å; M41-C45 VanDerWaalsContact O-N 3.14Å; I42-C45 HydrophobicContact CD1-CB 4.49Å; I42-C45 PolarHBondContact O-N 3.09Å; T43-C45 VanDerWaalsContact C-N 3.35Å; C45-Q47 PolarHBondContact O-N 3.25Å; C45-Q47 PolarHBondContact SG-N 3.31Å; C45-K93 WeakPolarHBondContact O-CE 3.25Å; C45-K93 PolarHBondContact O-NZ 3.4Å | ||
| 46 | Q | 80.7 | Confident | 85.4 | Confident | 194 Ų | 194 | 65 Ų | 65 | 91% | 0.907 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -71.9 | -23.7 | 178.4 | -72.2 | -177 | -7 | 0 | 0 | 110.2 | ||
| 47 | Q | 81.7 | Confident | 85.5 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 61% | 0.607 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -82.5 | 156.8 | -178.7 | -64.7 | 179.8 | -9 | 0 | 0 | 111.8 | C45 S49 K93 | C45-Q47 PolarHBondContact O-N 3.25Å; C45-Q47 PolarHBondContact SG-N 3.31Å; Q47-S49 WeakPolarHBondContact CB-O 3.23Å; Q47-S49 PolarHBondContact O-N 2.5Å; Q47-S49 PolarHBondContact OE1-O 3.32Å; Q47-K93 WeakPolarHBondContact O-CE 3.35Å |
| 48 | N | 83.4 | Confident | 85.1 | Confident | 89 Ų | 89 | 63.8 Ų | 63.8 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -74.1 | -14.5 | -179 | -71.2 | -24.4 | 0 | 0 | 0 | 110.8 | A92 K93 I96 | N48-A92 CarbonylContact O-C 3.57Å; N48-A92 WeakPolarHBondContact O-CA 3.37Å; N48-K93 PolarHBondContact O-N 3.06Å; N48-I96 HydrophobicContact CB-CD1 4.43Å |
| 49 | S | 84.2 | Confident | 84.4 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 150.6 | -178.5 | 68.7 | 0 | 0 | 0 | 0 | 109.1 | Q47 L91 | Q47-S49 WeakPolarHBondContact CB-O 3.23Å; Q47-S49 PolarHBondContact O-N 2.5Å; Q47-S49 PolarHBondContact OE1-O 3.32Å; S49-L91 CarbonylContact C-O 3.5Å; S49-L91 VanDerWaalsContact C-O 3.31Å; S49-L91 WeakPolarHBondContact CA-O 3.35Å |
| 50 | L | 86.5 | Confident | 83.6 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 124.4 | -177.6 | -179.4 | 67.8 | 0 | 0 | 0 | 108.1 | M41 I42 T52 Q75 L91 | M41-L50 HydrophobicContact CB-CD2 3.75Å; M41-L50 HydrophobicContact CE-CD2 4.02Å; I42-L50 HydrophobicContact CD1-CB 3.84Å; L50-T52 HydrophobicContact CD2-CG2 3.57Å; L50-T52 HydrophobicContact CG-CG2 3.62Å; L50-Q75 HydrophobicContact CD1-CG 4.42Å; L50-L91 HydrophobicContact CB-CB 4.25Å; L50-L91 HydrophobicContact CD2-CD1 4.36Å; L50-L91 PolarHBondContact N-O 3.32Å; L50-L91 PolarHBondContact O-N 3.31Å |
| 51 | K | 87.6 | Confident | 82.5 | Confident | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.1 | 175.7 | -73.8 | -174.2 | -176.7 | -179.9 | 0 | 109.3 | ||
| 52 | T | 88.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 178.6 | 177 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | M41 L50 I73 E74 F89 L91 | M41-T52 HydrophobicContact CE-CG2 3.89Å; L50-T52 HydrophobicContact CD2-CG2 3.57Å; L50-T52 HydrophobicContact CG-CG2 3.62Å; T52-I73 HydrophobicContact CG2-CD1 4.49Å; T52-E74 CarbonylContact C-O 3.56Å; T52-E74 WeakPolarHBondContact CA-O 3.25Å; T52-E74 WeakPolarHBondContact CB-O 3.44Å; T52-F89 CarbonylContact C-O 3.47Å; T52-F89 WeakPolarHBondContact CA-O 3.29Å; T52-F89 PolarHBondContact N-O 2.99Å; T52-F89 CarbonylContact O-C 3.52Å; T52-F89 WeakPolarHBondContact O-CA 2.99Å; T52-F89 PolarHBondContact O-N 3.27Å; T52-F89 WeakPolarHBondContact OG1-CB 2.71Å; T52-F89 WeakPolarHBondContact OG1-CD1 2.9Å; T52-F89 PolarHBondContact OG1-O 3.03Å; T52-L91 HydrophobicContact CG2-CD1 4.12Å |
| 53 | Y | 90 | Very high | 79.6 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 26% | 0.263 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.7 | -176.3 | -64 | -83.3 | 0 | 0 | 0 | 109.8 | I73 E74 K77 L86 I87 | Y53-I73 CarbonylContact O-C 3.52Å; Y53-I73 VanDerWaalsContact O-CA 3.29Å; Y53-I73 WeakPolarHBondContact O-CA 3.35Å; Y53-E74 PolarHBondContact N-O 3.5Å; Y53-E74 PolarHBondContact O-N 3.48Å; Y53-K77 HydrophobicContact CE2-CB 4.32Å; Y53-L86 HydrophobicContact CD1-CD1 3.77Å; Y53-L86 HydrophobicContact CD1-CD2 2.84Å; Y53-L86 HydrophobicContact CD1-CG 3.49Å; Y53-L86 VanDerWaalsContact CD1-CG 3.49Å; Y53-L86 HydrophobicContact CE1-CD2 3.37Å; Y53-L86 HydrophobicContact CE1-CG 4.45Å; Y53-L86 HydrophobicContact CG-CD1 3.62Å; Y53-L86 HydrophobicContact CG-CD2 3.67Å; Y53-L86 HydrophobicContact CG-CG 3.85Å; Y53-I87 CarbonylContact C-O 3.53Å; Y53-I87 WeakPolarHBondContact CA-O 3.32Å |
| 54 | L | 90.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.1 | 171.7 | -60.4 | 172.7 | 0 | 0 | 0 | 111.7 | F28 I30 V34 I70 I73 L86 I87 F89 A133 | F28-L54 HydrophobicContact CZ-CD1 4.08Å; I30-L54 HydrophobicContact CD1-CD1 4.41Å; I30-L54 HydrophobicContact CD1-CD2 4.2Å; V34-L54 HydrophobicContact CG1-CD2 3.99Å; L54-I70 HydrophobicContact CB-CD1 4.29Å; L54-I70 HydrophobicContact CB-CG2 3.84Å; L54-I70 HydrophobicContact CD2-CG2 4Å; L54-I70 HydrophobicContact CG-CG2 4.37Å; L54-I73 HydrophobicContact CD2-CB 4.01Å; L54-I73 HydrophobicContact CD2-CD1 4.14Å; L54-I73 HydrophobicContact CD2-CG1 4.06Å; L54-L86 CarbonylContact O-C 3.44Å; L54-L86 WeakPolarHBondContact O-CA 2.77Å; L54-I87 HydrophobicContact CB-CB 4.01Å; L54-I87 PolarHBondContact N-O 3.42Å; L54-I87 PolarHBondContact O-N 3.07Å; L54-F89 HydrophobicContact CD1-CB 4.04Å; L54-F89 HydrophobicContact CD1-CD1 4.27Å; L54-F89 HydrophobicContact CD1-CD2 4.1Å; L54-F89 HydrophobicContact CD1-CG 3.91Å; L54-F89 HydrophobicContact CD2-CB 4.46Å; L54-F89 HydrophobicContact CD2-CD1 3.87Å; L54-F89 HydrophobicContact CD2-CE1 4.42Å; L54-F89 HydrophobicContact CD2-CG 4.29Å; L54-F89 HydrophobicContact CG-CB 3.66Å; L54-F89 HydrophobicContact CG-CD1 3.96Å; L54-F89 HydrophobicContact CG-CG 3.84Å; L54-A133 HydrophobicContact CD1-CB 4.16Å |
| 55 | Y | 88.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.2 | -179.8 | -67 | -100.9 | 0 | 0 | 0 | 109 | I70 N71 R72 E74 Q78 F85 L86 | Y55-I70 WeakPolarHBondContact O-CA 3.27Å; Y55-N71 PolarHBondContact O-N 2.85Å; Y55-R72 HydrophobicContact CD2-CG 3.66Å; Y55-R72 VanDerWaalsContact CG-CD 3.43Å; Y55-R72 HydrophobicContact CG-CG 3.52Å; Y55-R72 PolarHBondContact N-O 2.71Å; Y55-R72 PolarHBondContact O-N 3.49Å; Y55-E74 HydrophobicContact CD2-CB 4.24Å; Y55-E74 HydrophobicContact CD2-CG 3.82Å; Y55-E74 HydrophobicContact CE2-CB 3.48Å; Y55-E74 VanDerWaalsContact CE2-CB 3.48Å; Y55-E74 HydrophobicContact CE2-CG 3.37Å; Y55-E74 PolarHBondContact OH-OE2 2.67Å; Y55-E74 VanDerWaalsContact OH-OE2 3.09Å; Y55-Q78 PolarHBondContact OH-N 2.75Å; Y55-Q78 PolarHBondContact OH-O 2.69Å; Y55-Q78 VanDerWaalsContact OH-O 3.14Å; Y55-F85 WeakPolarHBondContact CA-O 3.14Å; Y55-L86 HydrophobicContact CD1-CD1 4.04Å; Y55-L86 HydrophobicContact CD2-CD1 4.27Å; Y55-L86 HydrophobicContact CE1-CD1 3.47Å; Y55-L86 VanDerWaalsContact CE1-CD1 3.47Å; Y55-L86 HydrophobicContact CE2-CD1 3.6Å; Y55-L86 HydrophobicContact CG-CD1 4.49Å; Y55-L86 WeakPolarHBondContact OH-CD1 3.07Å |
| 56 | G | 85.4 | Confident | 77.7 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 177.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I69 E84 F85 | G56-I69 CarbonylContact C-O 3.56Å; G56-I69 WeakPolarHBondContact CA-O 3.27Å; G56-E84 WeakPolarHBondContact O-CA 3.02Å; G56-F85 VanDerWaalsContact C-CD1 3.48Å; G56-F85 PolarHBondContact N-O 3.34Å; G56-F85 WeakPolarHBondContact O-CD1 3.19Å; G56-F85 WeakPolarHBondContact O-CE1 3.32Å; G56-F85 PolarHBondContact O-N 2.77Å |
| 57 | R | 84.1 | Confident | 77.7 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.9 | 176.6 | -67.1 | -175.1 | -179 | 176 | -7 | 109.2 | I69 E84 | R57-I69 PolarHBondContact N-O 3.07Å; R57-I69 PolarHBondContact O-N 2.98Å; R57-E84 HydrophobicContact CG-CG 4.07Å; R57-E84 IonicContact NE-OE1 3.99Å; R57-E84 IonicContact NH2-OE1 3.85Å |
| 58 | Y | 78.9 | Confident | 77.9 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.5 | 176.1 | -65.5 | -73.7 | 0 | 0 | 0 | 108.4 | L66 N67 V68 F85 I125 T126 F131 | Y58-L66 HydrophobicContact CD1-CD1 3.79Å; Y58-L66 HydrophobicContact CD1-CD2 4.21Å; Y58-L66 HydrophobicContact CD1-CG 4.22Å; Y58-L66 HydrophobicContact CE1-CD2 4.34Å; Y58-L66 HydrophobicContact CG-CD1 4.27Å; Y58-N67 CarbonylContact C-O 3.5Å; Y58-N67 WeakPolarHBondContact CA-O 2.63Å; Y58-V68 HydrophobicContact CD1-CG2 4.09Å; Y58-V68 HydrophobicContact CE1-CG2 4.05Å; Y58-F85 HydrophobicContact CD1-CD1 4.44Å; Y58-F85 AromaticContact CD1-CE1 3.84Å; Y58-F85 HydrophobicContact CD1-CE1 3.84Å; Y58-F85 HydrophobicContact CD1-CZ 4.24Å; Y58-F85 AromaticContact CD2-CD1 3.53Å; Y58-F85 HydrophobicContact CD2-CD1 3.53Å; Y58-F85 AromaticContact CD2-CE1 3.65Å; Y58-F85 HydrophobicContact CD2-CE1 3.65Å; Y58-F85 HydrophobicContact CD2-CG 4.47Å; Y58-F85 HydrophobicContact CE1-CD1 4.24Å; Y58-F85 AromaticContact CE1-CE1 3.82Å; Y58-F85 HydrophobicContact CE1-CE1 3.82Å; Y58-F85 AromaticContact CE1-CZ 3.99Å; Y58-F85 HydrophobicContact CE1-CZ 3.99Å; Y58-F85 HydrophobicContact CE2-CB 4.2Å; Y58-F85 AromaticContact CE2-CD1 3.2Å; Y58-F85 HydrophobicContact CE2-CD1 3.2Å; Y58-F85 AromaticContact CE2-CE1 3.56Å; Y58-F85 HydrophobicContact CE2-CE1 3.56Å; Y58-F85 AromaticContact CE2-CG 3.73Å; Y58-F85 HydrophobicContact CE2-CG 3.73Å; Y58-F85 HydrophobicContact CE2-CZ 4.36Å; Y58-F85 HydrophobicContact CG-CD1 4.16Å; Y58-F85 AromaticContact CG-CE1 3.78Å; Y58-F85 HydrophobicContact CG-CE1 3.78Å; Y58-F85 AromaticContact CZ-CD1 3.62Å; Y58-F85 AromaticContact CZ-CE1 3.69Å; Y58-F85 AromaticContact CZ-CG 3.89Å; Y58-I125 HydrophobicContact CD1-CG2 4.07Å; Y58-I125 HydrophobicContact CD2-CG2 3.77Å; Y58-I125 HydrophobicContact CE1-CG2 4.06Å; Y58-I125 HydrophobicContact CE2-CG2 3.8Å; Y58-I125 HydrophobicContact CG-CG2 3.91Å; Y58-T126 HydrophobicContact CD2-CG2 3.78Å; Y58-T126 HydrophobicContact CE2-CG2 2.98Å; Y58-F131 AromaticContact CE1-CE2 3.83Å; Y58-F131 HydrophobicContact CE1-CE2 3.83Å; Y58-F131 HydrophobicContact CE1-CZ 4.5Å |
| 59 | S | 74.1 | Confident | 78 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.2 | 170.6 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | N67 | S59-N67 PolarHBondContact N-O 2.99Å; S59-N67 WeakPolarHBondContact O-CA 3.4Å; S59-N67 WeakPolarHBondContact O-CB 3.43Å; S59-N67 PolarHBondContact O-N 3.45Å |
| 60 | F | 68.2 | Low | 78.3 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.8 | -178.8 | -67.2 | -87.5 | 0 | 0 | 0 | 107 | L66 I125 F258 | F60-L66 HydrophobicContact CD1-CD1 3.85Å; F60-L66 HydrophobicContact CE1-CD1 3.48Å; F60-L66 VanDerWaalsContact CE1-CD1 3.48Å; F60-L66 HydrophobicContact CG-CD1 4.49Å; F60-L66 HydrophobicContact CZ-CD1 3.89Å; F60-I125 HydrophobicContact CE1-CD1 4.42Å; F60-I125 HydrophobicContact CZ-CB 4.49Å; F60-I125 HydrophobicContact CZ-CG2 4.33Å; F60-F258 HydrophobicContact CE1-CB 4.05Å; F60-F258 HydrophobicContact CE1-CD1 4.42Å; F60-F258 HydrophobicContact CE1-CG 4.41Å |
| 61 | V | 61.6 | Low | 78.3 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 96.6 | 170.7 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | S65 N67 L207 | V61-S65 PolarHBondContact N-O 2.99Å; V61-S65 VanDerWaalsContact N-O 3.07Å; V61-S65 WeakPolarHBondContact O-CB 3Å; V61-N67 WeakPolarHBondContact CG2-ND2 3Å; V61-L207 HydrophobicContact CB-CD2 3.54Å; V61-L207 HydrophobicContact CG1-CD2 3.03Å; V61-L207 HydrophobicContact CG2-CD2 3.95Å |
| 62 | G | 57 | Low | 78.3 | Confident | 50 Ų | 50 | 33.8 Ų | 33.8 | 52% | 0.515 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -162.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 63 | V | 55.1 | Low | 78.3 | Confident | 61 Ų | 61 | 34.5 Ų | 34.5 | 37% | 0.37 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12 | -170.4 | -159.6 | 0 | 0 | 0 | 0 | 108.1 | E254 C256 | V63-E254 WeakPolarHBondContact CG2-OE2 3.47Å; V63-C256 HydrophobicContact CB-CB 4.28Å; V63-C256 HydrophobicContact CG1-CB 2.78Å; V63-C256 WeakPolarHBondContact CG1-O 3.26Å |
| 64 | S | 60 | Low | 78.2 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 33% | 0.329 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | 9.2 | -167.1 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | Q23 C24 S25 | Q23-S64 WeakPolarHBondContact O-CB 3.45Å; C24-S64 CarbonylContact C-O 3.54Å; C24-S64 WeakPolarHBondContact CA-O 3.33Å; S25-S64 PolarHBondContact N-O 3.08Å |
| 65 | S | 66.7 | Low | 77.7 | Confident | 26 Ų | 26 | 38 Ų | 38 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 119.5 | -176 | -64.8 | 0 | 0 | 0 | 0 | 109 | S25 V61 | S25-S65 CarbonylContact O-C 3.53Å; S25-S65 WeakPolarHBondContact O-CA 2.5Å; S25-S65 PolarHBondContact OG-OG 3.19Å; V61-S65 PolarHBondContact N-O 2.99Å; V61-S65 VanDerWaalsContact N-O 3.07Å; V61-S65 WeakPolarHBondContact O-CB 3Å |
| 66 | L | 77.3 | Confident | 77.1 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.7 | 173.3 | 175.3 | 69.1 | 0 | 0 | 0 | 110.6 | S25 V26 K27 Y58 F60 I125 I129 | S25-L66 PolarHBondContact O-N 3.43Å; V26-L66 CarbonylContact C-O 3.55Å; V26-L66 VanDerWaalsContact CA-O 3.31Å; V26-L66 WeakPolarHBondContact CA-O 3.39Å; V26-L66 HydrophobicContact CG1-CD2 4.27Å; V26-L66 HydrophobicContact CG2-CB 4.39Å; V26-L66 HydrophobicContact CG2-CD2 4.39Å; K27-L66 PolarHBondContact N-O 2.8Å; Y58-L66 HydrophobicContact CD1-CD1 3.79Å; Y58-L66 HydrophobicContact CD1-CD2 4.21Å; Y58-L66 HydrophobicContact CD1-CG 4.22Å; Y58-L66 HydrophobicContact CE1-CD2 4.34Å; Y58-L66 HydrophobicContact CG-CD1 4.27Å; F60-L66 HydrophobicContact CD1-CD1 3.85Å; F60-L66 HydrophobicContact CE1-CD1 3.48Å; F60-L66 VanDerWaalsContact CE1-CD1 3.48Å; F60-L66 HydrophobicContact CG-CD1 4.49Å; F60-L66 HydrophobicContact CZ-CD1 3.89Å; L66-I125 HydrophobicContact CD2-CD1 4.21Å; L66-I129 HydrophobicContact CD2-CD1 3.68Å |
| 67 | N | 81.7 | Confident | 76.5 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.7 | 173.9 | -64.7 | -20 | 0 | 0 | 0 | 112.3 | K27 M29 Y58 S59 V61 I69 | K27-N67 WeakPolarHBondContact CB-OD1 3.11Å; K27-N67 CarbonylContact O-C 3.51Å; K27-N67 WeakPolarHBondContact O-CA 3.4Å; M29-N67 HydrophobicContact SD-CB 4.24Å; Y58-N67 CarbonylContact C-O 3.5Å; Y58-N67 WeakPolarHBondContact CA-O 2.63Å; S59-N67 PolarHBondContact N-O 2.99Å; S59-N67 WeakPolarHBondContact O-CA 3.4Å; S59-N67 WeakPolarHBondContact O-CB 3.43Å; S59-N67 PolarHBondContact O-N 3.45Å; V61-N67 WeakPolarHBondContact CG2-ND2 3Å; N67-I69 HydrophobicContact CB-CG1 4.42Å |
| 68 | V | 85.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 106.4 | 174.9 | 180 | 0 | 0 | 0 | 0 | 107.5 | V26 K27 F28 M29 Y58 I70 F85 I87 F131 | V26-V68 HydrophobicContact CG1-CG2 4.29Å; K27-V68 PolarHBondContact O-N 3Å; F28-V68 CarbonylContact C-O 3.4Å; F28-V68 HydrophobicContact CD2-CB 3.99Å; F28-V68 HydrophobicContact CD2-CG1 3.8Å; F28-V68 HydrophobicContact CE2-CG1 3.92Å; M29-V68 WeakPolarHBondContact CA-O 2.69Å; M29-V68 PolarHBondContact N-O 2.95Å; Y58-V68 HydrophobicContact CD1-CG2 4.09Å; Y58-V68 HydrophobicContact CE1-CG2 4.05Å; V68-I70 HydrophobicContact CG1-CD1 4.06Å; V68-F85 HydrophobicContact CB-CZ 4.21Å; V68-F85 HydrophobicContact CG1-CE1 4.17Å; V68-F85 HydrophobicContact CG1-CE2 3.51Å; V68-F85 HydrophobicContact CG1-CZ 3.05Å; V68-I87 HydrophobicContact CG1-CD1 4.23Å; V68-F131 HydrophobicContact CG2-CE1 3.98Å; V68-F131 HydrophobicContact CG2-CE2 4.05Å; V68-F131 HydrophobicContact CG2-CZ 3.5Å; V68-F131 VanDerWaalsContact CG2-CZ 3.5Å |
| 69 | I | 86.4 | Confident | 74.6 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.2 | -176.5 | -57.5 | 170.4 | 0 | 0 | 0 | 111.2 | M29 G56 R57 N67 N71 Y365 | M29-I69 CarbonylContact O-C 3.29Å; M29-I69 WeakPolarHBondContact O-CA 2.83Å; M29-I69 HydrophobicContact SD-CG1 4.26Å; G56-I69 CarbonylContact C-O 3.56Å; G56-I69 WeakPolarHBondContact CA-O 3.27Å; R57-I69 PolarHBondContact N-O 3.07Å; R57-I69 PolarHBondContact O-N 2.98Å; N67-I69 HydrophobicContact CB-CG1 4.42Å; I69-N71 VanDerWaalsContact CG2-OD1 3.31Å; I69-N71 WeakPolarHBondContact CG2-OD1 3.27Å; I69-Y365 HydrophobicContact CG2-CE1 3.86Å |
| 70 | I | 89 | Confident | 74 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125 | -176.6 | -55.4 | -62.9 | 0 | 0 | 0 | 109.7 | F28 M29 I30 R31 V34 L54 Y55 V68 F85 I87 | F28-I70 HydrophobicContact CE1-CG1 4.01Å; F28-I70 HydrophobicContact CE2-CD1 3.93Å; F28-I70 HydrophobicContact CE2-CG1 3.75Å; F28-I70 HydrophobicContact CZ-CD1 3.95Å; F28-I70 HydrophobicContact CZ-CG1 3.37Å; M29-I70 PolarHBondContact O-N 2.76Å; I30-I70 HydrophobicContact CB-CB 4.17Å; I30-I70 HydrophobicContact CD1-CG2 4.26Å; I30-I70 HydrophobicContact CG1-CB 3.98Å; I30-I70 HydrophobicContact CG1-CG2 4.03Å; R31-I70 PolarHBondContact N-O 2.88Å; V34-I70 HydrophobicContact CG1-CG2 4.37Å; L54-I70 HydrophobicContact CB-CD1 4.29Å; L54-I70 HydrophobicContact CB-CG2 3.84Å; L54-I70 HydrophobicContact CD2-CG2 4Å; L54-I70 HydrophobicContact CG-CG2 4.37Å; Y55-I70 WeakPolarHBondContact O-CA 3.27Å; V68-I70 HydrophobicContact CG1-CD1 4.06Å; I70-F85 HydrophobicContact CD1-CE2 4.29Å; I70-I87 HydrophobicContact CD1-CD1 3.58Å |
| 71 | N | 86.4 | Confident | 73.7 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -7.5 | -176 | -61.8 | -28.4 | 0 | 0 | 0 | 111.6 | V34 Y55 I69 | V34-N71 VanDerWaalsContact CG2-C 3.49Å; V34-N71 VanDerWaalsContact CG2-O 3.3Å; V34-N71 WeakPolarHBondContact CG2-O 3.01Å; Y55-N71 PolarHBondContact O-N 2.85Å; I69-N71 VanDerWaalsContact CG2-OD1 3.31Å; I69-N71 WeakPolarHBondContact CG2-OD1 3.27Å |
| 72 | R | 88 | Confident | 73.6 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 22% | 0.223 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 156.7 | -173.8 | 68.2 | 177 | -178 | -161.1 | -11.9 | 109.7 | Y55 E84 | Y55-R72 HydrophobicContact CD2-CG 3.66Å; Y55-R72 VanDerWaalsContact CG-CD 3.43Å; Y55-R72 HydrophobicContact CG-CG 3.52Å; Y55-R72 PolarHBondContact N-O 2.71Å; Y55-R72 PolarHBondContact O-N 3.49Å; R72-E84 IonicContact CZ-OE1 3.73Å; R72-E84 IonicContact CZ-OE2 3.25Å; R72-E84 IonicContact NE-OE1 3.19Å; R72-E84 IonicContact NE-OE2 2.89Å; R72-E84 IonicContact NH1-OE1 3.56Å; R72-E84 IonicContact NH1-OE2 2.96Å; R72-E84 PolarHBondContact NH1-OE2 2.78Å; R72-E84 IonicContact NH2-OE2 2.52Å; R72-E84 PolarHBondContact NH2-OE2 2.65Å |
| 73 | I | 89.1 | Confident | 74 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.2 | 174.4 | -177 | 169.4 | 0 | 0 | 0 | 109.7 | V34 L37 A38 M41 T52 Y53 L54 F89 L91 | V34-I73 HydrophobicContact CG1-CB 3.89Å; V34-I73 HydrophobicContact CG1-CG2 4.13Å; L37-I73 HydrophobicContact CB-CG2 4.12Å; L37-I73 HydrophobicContact CD2-CG2 3.25Å; L37-I73 HydrophobicContact CG-CG2 3.77Å; A38-I73 HydrophobicContact CB-CD1 3.67Å; M41-I73 HydrophobicContact SD-CD1 4.02Å; M41-I73 HydrophobicContact SD-CG1 4.22Å; M41-I73 HydrophobicContact SD-CG2 4.18Å; T52-I73 HydrophobicContact CG2-CD1 4.49Å; Y53-I73 CarbonylContact O-C 3.52Å; Y53-I73 VanDerWaalsContact O-CA 3.29Å; Y53-I73 WeakPolarHBondContact O-CA 3.35Å; L54-I73 HydrophobicContact CD2-CB 4.01Å; L54-I73 HydrophobicContact CD2-CD1 4.14Å; L54-I73 HydrophobicContact CD2-CG1 4.06Å; I73-F89 HydrophobicContact CD1-CD1 3.72Å; I73-F89 HydrophobicContact CD1-CE1 3.91Å; I73-L91 HydrophobicContact CD1-CD1 4.17Å |
| 74 | E | 86.8 | Confident | 75 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.4 | 177.5 | -60.4 | -166 | 173.7 | 0 | 0 | 112.5 | T52 Y53 Y55 Q78 | T52-E74 CarbonylContact C-O 3.56Å; T52-E74 WeakPolarHBondContact CA-O 3.25Å; T52-E74 WeakPolarHBondContact CB-O 3.44Å; Y53-E74 PolarHBondContact N-O 3.5Å; Y53-E74 PolarHBondContact O-N 3.48Å; Y55-E74 HydrophobicContact CD2-CB 4.24Å; Y55-E74 HydrophobicContact CD2-CG 3.82Å; Y55-E74 HydrophobicContact CE2-CB 3.48Å; Y55-E74 VanDerWaalsContact CE2-CB 3.48Å; Y55-E74 HydrophobicContact CE2-CG 3.37Å; Y55-E74 PolarHBondContact OH-OE2 2.67Å; Y55-E74 VanDerWaalsContact OH-OE2 3.09Å; E74-Q78 VanDerWaalsContact CD-OE1 3.28Å; E74-Q78 PolarHBondContact OE1-OE1 3.45Å; E74-Q78 WeakPolarHBondContact OE2-CB 3.35Å; E74-Q78 VanDerWaalsContact OE2-CD 3.24Å; E74-Q78 VanDerWaalsContact OE2-CG 3.23Å; E74-Q78 WeakPolarHBondContact OE2-CG 3.25Å; E74-Q78 PolarHBondContact OE2-OE1 3.39Å; E74-Q78 VanDerWaalsContact OE2-OE1 3.12Å |
| 75 | Q | 81 | Confident | 75.8 | Confident | 111 Ų | 111 | 61.2 Ų | 61.2 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -83 | -33.9 | -179.4 | -169.6 | 171.3 | 4.8 | 0 | 0 | 109.2 | M41 L50 | M41-Q75 HydrophobicContact CE-CB 4Å; L50-Q75 HydrophobicContact CD1-CG 4.42Å |
| 76 | N | 77 | Confident | 76.7 | Confident | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -112.3 | 148.4 | 179.8 | -65.8 | -37.4 | 0 | 0 | 0 | 110.2 | Q78 | N76-Q78 VanDerWaalsContact C-N 3.33Å; N76-Q78 PolarHBondContact O-N 3.28Å |
| 77 | K | 72.2 | Confident | 77.2 | Confident | 162 Ų | 162 | 61.5 Ų | 61.5 | 70% | 0.704 | 33% | 0.329 | S | S | * | . | trans | -65.3 | 99.2 | 177.3 | -167.2 | 173.3 | 176.5 | -179.5 | 0 | 108.9 | Y53 | Y53-K77 HydrophobicContact CE2-CB 4.32Š| ||
| 78 | Q | 64.2 | Low | 77.5 | Confident | 117 Ų | 117 | 63.4 Ų | 63.4 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 157 | 170.5 | -78.3 | -178.7 | 3 | 0 | 0 | 112.4 | Y55 E74 N76 S80 | Y55-Q78 PolarHBondContact OH-N 2.75Å; Y55-Q78 PolarHBondContact OH-O 2.69Å; Y55-Q78 VanDerWaalsContact OH-O 3.14Å; E74-Q78 VanDerWaalsContact CD-OE1 3.28Å; E74-Q78 PolarHBondContact OE1-OE1 3.45Å; E74-Q78 WeakPolarHBondContact OE2-CB 3.35Å; E74-Q78 VanDerWaalsContact OE2-CD 3.24Å; E74-Q78 VanDerWaalsContact OE2-CG 3.23Å; E74-Q78 WeakPolarHBondContact OE2-CG 3.25Å; E74-Q78 PolarHBondContact OE2-OE1 3.39Å; E74-Q78 VanDerWaalsContact OE2-OE1 3.12Å; N76-Q78 VanDerWaalsContact C-N 3.33Å; N76-Q78 PolarHBondContact O-N 3.28Å; Q78-S80 PolarHBondContact O-N 2.67Å; Q78-S80 VanDerWaalsContact O-N 3.13Å |
| 79 | S | 59.1 | Low | 77.6 | Confident | 118 Ų | 118 | 63.6 Ų | 63.6 | 83% | 0.825 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 118.9 | -179.7 | 59.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 80 | S | 60.4 | Low | 77.7 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 47% | 0.469 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 135.5 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | Q78 | Q78-S80 PolarHBondContact O-N 2.67Å; Q78-S80 VanDerWaalsContact O-N 3.13Å |
| 81 | T | 63.5 | Low | 77.6 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 147.8 | 167.6 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | D83 E84 | T81-D83 PolarHBondContact O-N 2.68Å; T81-E84 PolarHBondContact O-N 3.1Å; T81-E84 WeakPolarHBondContact OG1-CB 3.11Å; T81-E84 WeakPolarHBondContact OG1-CG 3.25Å; T81-E84 PolarHBondContact OG1-OE2 3.2Å |
| 82 | P | 58.9 | Low | 77.5 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 79% | 0.786 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -15.5 | -175.2 | -11.4 | 14.7 | 0 | 0 | 0 | 109.9 | ||
| 83 | D | 65.5 | Low | 77.2 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -0.1 | -177.8 | -67.3 | -24.3 | 0 | 0 | 0 | 112 | T81 | T81-D83 PolarHBondContact O-N 2.68Š|
| 84 | E | 75.1 | Confident | 76.6 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | trans | -100.4 | 143.4 | 179.8 | -73.5 | -178.1 | 165.1 | 0 | 0 | 113.8 | G56 R57 R72 T81 | G56-E84 WeakPolarHBondContact O-CA 3.02Å; R57-E84 HydrophobicContact CG-CG 4.07Å; R57-E84 IonicContact NE-OE1 3.99Å; R57-E84 IonicContact NH2-OE1 3.85Å; R72-E84 IonicContact CZ-OE1 3.73Å; R72-E84 IonicContact CZ-OE2 3.25Å; R72-E84 IonicContact NE-OE1 3.19Å; R72-E84 IonicContact NE-OE2 2.89Å; R72-E84 IonicContact NH1-OE1 3.56Å; R72-E84 IonicContact NH1-OE2 2.96Å; R72-E84 PolarHBondContact NH1-OE2 2.78Å; R72-E84 IonicContact NH2-OE2 2.52Å; R72-E84 PolarHBondContact NH2-OE2 2.65Å; T81-E84 PolarHBondContact O-N 3.1Å; T81-E84 WeakPolarHBondContact OG1-CB 3.11Å; T81-E84 WeakPolarHBondContact OG1-CG 3.25Å; T81-E84 PolarHBondContact OG1-OE2 3.2Å | ||
| 85 | F | 78.1 | Confident | 75.9 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 156.8 | 173.7 | 60 | -89.6 | 0 | 0 | 0 | 109.8 | Y55 G56 Y58 V68 I70 I87 T126 | Y55-F85 WeakPolarHBondContact CA-O 3.14Å; G56-F85 VanDerWaalsContact C-CD1 3.48Å; G56-F85 PolarHBondContact N-O 3.34Å; G56-F85 WeakPolarHBondContact O-CD1 3.19Å; G56-F85 WeakPolarHBondContact O-CE1 3.32Å; G56-F85 PolarHBondContact O-N 2.77Å; Y58-F85 HydrophobicContact CD1-CD1 4.44Å; Y58-F85 AromaticContact CD1-CE1 3.84Å; Y58-F85 HydrophobicContact CD1-CE1 3.84Å; Y58-F85 HydrophobicContact CD1-CZ 4.24Å; Y58-F85 AromaticContact CD2-CD1 3.53Å; Y58-F85 HydrophobicContact CD2-CD1 3.53Å; Y58-F85 AromaticContact CD2-CE1 3.65Å; Y58-F85 HydrophobicContact CD2-CE1 3.65Å; Y58-F85 HydrophobicContact CD2-CG 4.47Å; Y58-F85 HydrophobicContact CE1-CD1 4.24Å; Y58-F85 AromaticContact CE1-CE1 3.82Å; Y58-F85 HydrophobicContact CE1-CE1 3.82Å; Y58-F85 AromaticContact CE1-CZ 3.99Å; Y58-F85 HydrophobicContact CE1-CZ 3.99Å; Y58-F85 HydrophobicContact CE2-CB 4.2Å; Y58-F85 AromaticContact CE2-CD1 3.2Å; Y58-F85 HydrophobicContact CE2-CD1 3.2Å; Y58-F85 AromaticContact CE2-CE1 3.56Å; Y58-F85 HydrophobicContact CE2-CE1 3.56Å; Y58-F85 AromaticContact CE2-CG 3.73Å; Y58-F85 HydrophobicContact CE2-CG 3.73Å; Y58-F85 HydrophobicContact CE2-CZ 4.36Å; Y58-F85 HydrophobicContact CG-CD1 4.16Å; Y58-F85 AromaticContact CG-CE1 3.78Å; Y58-F85 HydrophobicContact CG-CE1 3.78Å; Y58-F85 AromaticContact CZ-CD1 3.62Å; Y58-F85 AromaticContact CZ-CE1 3.69Å; Y58-F85 AromaticContact CZ-CG 3.89Å; V68-F85 HydrophobicContact CB-CZ 4.21Å; V68-F85 HydrophobicContact CG1-CE1 4.17Å; V68-F85 HydrophobicContact CG1-CE2 3.51Å; V68-F85 HydrophobicContact CG1-CZ 3.05Å; I70-F85 HydrophobicContact CD1-CE2 4.29Å; F85-I87 HydrophobicContact CD2-CD1 4.03Å; F85-I87 HydrophobicContact CD2-CG1 3.7Å; F85-I87 HydrophobicContact CE2-CD1 3.32Å; F85-I87 HydrophobicContact CE2-CG1 3.58Å; F85-I87 HydrophobicContact CZ-CD1 4.42Å; F85-T126 HydrophobicContact CB-CG2 4Å |
| 86 | L | 85.3 | Confident | 75 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.6 | -176.7 | -177.1 | 114.9 | 0 | 0 | 0 | 110.3 | Y53 L54 Y55 | Y53-L86 HydrophobicContact CD1-CD1 3.77Å; Y53-L86 HydrophobicContact CD1-CD2 2.84Å; Y53-L86 HydrophobicContact CD1-CG 3.49Å; Y53-L86 VanDerWaalsContact CD1-CG 3.49Å; Y53-L86 HydrophobicContact CE1-CD2 3.37Å; Y53-L86 HydrophobicContact CE1-CG 4.45Å; Y53-L86 HydrophobicContact CG-CD1 3.62Å; Y53-L86 HydrophobicContact CG-CD2 3.67Å; Y53-L86 HydrophobicContact CG-CG 3.85Å; L54-L86 CarbonylContact O-C 3.44Å; L54-L86 WeakPolarHBondContact O-CA 2.77Å; Y55-L86 HydrophobicContact CD1-CD1 4.04Å; Y55-L86 HydrophobicContact CD2-CD1 4.27Å; Y55-L86 HydrophobicContact CE1-CD1 3.47Å; Y55-L86 VanDerWaalsContact CE1-CD1 3.47Å; Y55-L86 HydrophobicContact CE2-CD1 3.6Å; Y55-L86 HydrophobicContact CG-CD1 4.49Å; Y55-L86 WeakPolarHBondContact OH-CD1 3.07Å |
| 87 | I | 87.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116 | 176.7 | -58.9 | 173.6 | 0 | 0 | 0 | 108.1 | F28 Y53 L54 V68 I70 F85 F89 F131 A133 | F28-I87 HydrophobicContact CE2-CD1 3.53Å; F28-I87 HydrophobicContact CZ-CD1 4.22Å; Y53-I87 CarbonylContact C-O 3.53Å; Y53-I87 WeakPolarHBondContact CA-O 3.32Å; L54-I87 HydrophobicContact CB-CB 4.01Å; L54-I87 PolarHBondContact N-O 3.42Å; L54-I87 PolarHBondContact O-N 3.07Å; V68-I87 HydrophobicContact CG1-CD1 4.23Å; I70-I87 HydrophobicContact CD1-CD1 3.58Å; F85-I87 HydrophobicContact CD2-CD1 4.03Å; F85-I87 HydrophobicContact CD2-CG1 3.7Å; F85-I87 HydrophobicContact CE2-CD1 3.32Å; F85-I87 HydrophobicContact CE2-CG1 3.58Å; F85-I87 HydrophobicContact CZ-CD1 4.42Å; I87-F89 PolarHBondContact O-N 3.45Å; I87-F131 HydrophobicContact CB-CB 4.24Å; I87-F131 HydrophobicContact CD1-CB 3.74Å; I87-F131 HydrophobicContact CD1-CG 4.11Å; I87-F131 HydrophobicContact CG1-CB 3.66Å; I87-F131 HydrophobicContact CG1-CG 4.39Å; I87-F131 HydrophobicContact CG2-CB 3.68Å; I87-A133 HydrophobicContact CG2-CB 4.28Å |
| 88 | P | 87.9 | Confident | 73.2 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 128.4 | 173.1 | -21.9 | 29.4 | 0 | 0 | 0 | 111 | F131 A133 | P88-F131 WeakPolarHBondContact CD-O 3.46Å; P88-A133 PolarHBondContact O-N 3.03Å |
| 89 | F | 89 | Confident | 72.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.022 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.5 | -175.9 | -176.7 | -138.7 | 0 | 0 | 0 | 112.4 | A38 T52 L54 I73 I87 L91 A133 A135 F163 | A38-F89 HydrophobicContact CB-CE1 3.9Å; T52-F89 CarbonylContact C-O 3.47Å; T52-F89 WeakPolarHBondContact CA-O 3.29Å; T52-F89 PolarHBondContact N-O 2.99Å; T52-F89 CarbonylContact O-C 3.52Å; T52-F89 WeakPolarHBondContact O-CA 2.99Å; T52-F89 PolarHBondContact O-N 3.27Å; T52-F89 WeakPolarHBondContact OG1-CB 2.71Å; T52-F89 WeakPolarHBondContact OG1-CD1 2.9Å; T52-F89 PolarHBondContact OG1-O 3.03Å; L54-F89 HydrophobicContact CD1-CB 4.04Å; L54-F89 HydrophobicContact CD1-CD1 4.27Å; L54-F89 HydrophobicContact CD1-CD2 4.1Å; L54-F89 HydrophobicContact CD1-CG 3.91Å; L54-F89 HydrophobicContact CD2-CB 4.46Å; L54-F89 HydrophobicContact CD2-CD1 3.87Å; L54-F89 HydrophobicContact CD2-CE1 4.42Å; L54-F89 HydrophobicContact CD2-CG 4.29Å; L54-F89 HydrophobicContact CG-CB 3.66Å; L54-F89 HydrophobicContact CG-CD1 3.96Å; L54-F89 HydrophobicContact CG-CG 3.84Å; I73-F89 HydrophobicContact CD1-CD1 3.72Å; I73-F89 HydrophobicContact CD1-CE1 3.91Å; I87-F89 PolarHBondContact O-N 3.45Å; F89-L91 HydrophobicContact CD1-CD1 4.13Å; F89-L91 HydrophobicContact CD1-CD2 3.99Å; F89-L91 HydrophobicContact CD1-CG 3.82Å; F89-L91 HydrophobicContact CE1-CD1 3.71Å; F89-L91 HydrophobicContact CE1-CD2 3Å; F89-L91 HydrophobicContact CE1-CG 3.31Å; F89-L91 HydrophobicContact CE2-CD2 3.93Å; F89-L91 HydrophobicContact CZ-CD2 2.99Å; F89-L91 HydrophobicContact CZ-CG 3.77Å; F89-A133 WeakPolarHBondContact CA-O 2.76Å; F89-A133 HydrophobicContact CD2-CB 3.54Å; F89-A133 HydrophobicContact CE2-CB 4.1Å; F89-A135 HydrophobicContact CE2-CB 3.65Å; F89-A135 HydrophobicContact CZ-CB 3.54Å; F89-F163 AromaticContact CE2-CE2 3.85Å; F89-F163 HydrophobicContact CE2-CE2 3.85Å; F89-F163 HydrophobicContact CE2-CZ 4.43Å; F89-F163 AromaticContact CZ-CE2 3.97Å; F89-F163 HydrophobicContact CZ-CE2 3.97Å |
| 90 | E | 88 | Confident | 72.6 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.3 | -178.2 | -174 | 175 | 177.7 | 0 | 0 | 108.7 | A133 Y134 A135 | E90-A133 PolarHBondContact N-O 2.89Å; E90-Y134 HydrophobicContact CB-CD2 4.18Å; E90-Y134 HydrophobicContact CG-CD2 4.36Å; E90-Y134 WeakPolarHBondContact O-CA 3.18Å; E90-Y134 WeakPolarHBondContact O-CD2 2.81Å; E90-A135 PolarHBondContact O-N 3.07Å |
| 91 | L | 86.5 | Confident | 72.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.7 | 174.3 | -67.2 | 166 | 0 | 0 | 0 | 111.1 | A38 I42 S49 L50 T52 I73 F89 A135 F160 | A38-L91 HydrophobicContact CB-CD1 3.93Å; A38-L91 HydrophobicContact CB-CD2 4.17Å; I42-L91 HydrophobicContact CB-CB 4.22Å; I42-L91 HydrophobicContact CD1-CB 4.12Å; I42-L91 WeakPolarHBondContact CD1-O 3.41Å; I42-L91 HydrophobicContact CG1-CB 4.27Å; S49-L91 CarbonylContact C-O 3.5Å; S49-L91 VanDerWaalsContact C-O 3.31Å; S49-L91 WeakPolarHBondContact CA-O 3.35Å; L50-L91 HydrophobicContact CB-CB 4.25Å; L50-L91 HydrophobicContact CD2-CD1 4.36Å; L50-L91 PolarHBondContact N-O 3.32Å; L50-L91 PolarHBondContact O-N 3.31Å; T52-L91 HydrophobicContact CG2-CD1 4.12Å; I73-L91 HydrophobicContact CD1-CD1 4.17Å; F89-L91 HydrophobicContact CD1-CD1 4.13Å; F89-L91 HydrophobicContact CD1-CD2 3.99Å; F89-L91 HydrophobicContact CD1-CG 3.82Å; F89-L91 HydrophobicContact CE1-CD1 3.71Å; F89-L91 HydrophobicContact CE1-CD2 3Å; F89-L91 HydrophobicContact CE1-CG 3.31Å; F89-L91 HydrophobicContact CE2-CD2 3.93Å; F89-L91 HydrophobicContact CZ-CD2 2.99Å; F89-L91 HydrophobicContact CZ-CG 3.77Å; L91-A135 WeakPolarHBondContact CA-O 3.21Å; L91-A135 HydrophobicContact CD2-CB 3.7Å; L91-F160 HydrophobicContact CD2-CE1 3.74Å; L91-F160 HydrophobicContact CD2-CZ 4.09Å |
| 92 | A | 85.2 | Confident | 72.5 | Confident | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | N48 Y94 Y134 A135 C136 V137 | N48-A92 CarbonylContact O-C 3.57Å; N48-A92 WeakPolarHBondContact O-CA 3.37Å; A92-Y94 WeakPolarHBondContact CB-O 3.28Å; A92-Y134 HydrophobicContact CB-CE2 3.83Å; A92-A135 PolarHBondContact N-O 3.49Å; A92-C136 CarbonylContact O-C 3.36Å; A92-C136 WeakPolarHBondContact O-CA 3.34Å; A92-V137 PolarHBondContact O-N 2.88Å; A92-V137 VanDerWaalsContact O-N 3.12Å |
| 93 | K | 80.8 | Confident | 72.8 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -38.6 | 176.5 | -75.2 | -172.8 | -176.7 | -179.1 | 0 | 109 | I42 C45 Q47 N48 T138 | I42-K93 HydrophobicContact CD1-CG 4.15Å; I42-K93 HydrophobicContact CG1-CG 3.84Å; I42-K93 VanDerWaalsContact O-CE 3.24Å; I42-K93 WeakPolarHBondContact O-CE 3.36Å; C45-K93 WeakPolarHBondContact O-CE 3.25Å; C45-K93 PolarHBondContact O-NZ 3.4Å; Q47-K93 WeakPolarHBondContact O-CE 3.35Å; N48-K93 PolarHBondContact O-N 3.06Å; K93-T138 PolarHBondContact O-N 3.49Å; K93-T138 PolarHBondContact O-OG1 3.38Å |
| 94 | Y | 77.1 | Confident | 73.3 | Confident | 122 Ų | 122 | 51.2 Ų | 51.2 | 48% | 0.478 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152 | -177.4 | -50.2 | -83 | 0 | 0 | 0 | 108.7 | A92 I96 Y134 T138 | A92-Y94 WeakPolarHBondContact CB-O 3.28Å; Y94-I96 VanDerWaalsContact C-N 3.34Å; Y94-I96 WeakPolarHBondContact O-CG1 3.39Å; Y94-I96 PolarHBondContact O-N 3.42Å; Y94-Y134 PolarHBondContact O-OH 3.2Å; Y94-T138 WeakPolarHBondContact CD1-OG1 3.2Å |
| 95 | D | 71.9 | Confident | 73.4 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -66.9 | 88.9 | -179.8 | -167 | -2.8 | 0 | 0 | 0 | 109.6 | F97 Y134 K162 | D95-F97 VanDerWaalsContact C-N 3.3Å; D95-F97 PolarHBondContact OD1-N 2.75Å; D95-Y134 WeakPolarHBondContact CA-OH 3.09Å; D95-Y134 PolarHBondContact OD1-OH 3.24Å; D95-K162 IonicContact OD2-NZ 3.75Å | ||
| 96 | I | 62.6 | Low | 73.3 | Confident | 99 Ų | 99 | 51.4 Ų | 51.4 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | trans | -104.9 | 26.1 | -178.2 | -55.8 | 167.2 | 0 | 0 | 0 | 107.1 | N48 Y94 S98 | N48-I96 HydrophobicContact CB-CD1 4.43Å; Y94-I96 VanDerWaalsContact C-N 3.34Å; Y94-I96 WeakPolarHBondContact O-CG1 3.39Å; Y94-I96 PolarHBondContact O-N 3.42Å; I96-S98 PolarHBondContact O-N 2.99Å | ||
| 97 | F | 58.8 | Low | 72.9 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 88.1 | -168.3 | -123 | -95 | 0 | 0 | 0 | 108.1 | D95 E101 Y134 | D95-F97 VanDerWaalsContact C-N 3.3Å; D95-F97 PolarHBondContact OD1-N 2.75Å; F97-E101 HydrophobicContact CD1-CG 4.27Å; F97-E101 HydrophobicContact CE1-CG 4.07Å; F97-Y134 HydrophobicContact CB-CE1 4.31Å; F97-Y134 AromaticContact CD2-CD1 3.33Å; F97-Y134 HydrophobicContact CD2-CD1 3.33Å; F97-Y134 AromaticContact CD2-CD2 3.01Å; F97-Y134 HydrophobicContact CD2-CD2 3.01Å; F97-Y134 AromaticContact CD2-CE1 3.2Å; F97-Y134 HydrophobicContact CD2-CE1 3.2Å; F97-Y134 AromaticContact CD2-CE2 2.67Å; F97-Y134 HydrophobicContact CD2-CE2 2.67Å; F97-Y134 AromaticContact CD2-CG 3.16Å; F97-Y134 HydrophobicContact CD2-CG 3.16Å; F97-Y134 AromaticContact CD2-CZ 2.87Å; F97-Y134 HydrophobicContact CE1-CG 4.28Å; F97-Y134 AromaticContact CE2-CD1 3.5Å; F97-Y134 HydrophobicContact CE2-CD1 3.5Å; F97-Y134 VanDerWaalsContact CE2-CD1 3.5Å; F97-Y134 AromaticContact CE2-CD2 2.6Å; F97-Y134 HydrophobicContact CE2-CD2 2.6Å; F97-Y134 AromaticContact CE2-CE1 3.85Å; F97-Y134 HydrophobicContact CE2-CE1 3.85Å; F97-Y134 AromaticContact CE2-CE2 2.86Å; F97-Y134 HydrophobicContact CE2-CE2 2.86Å; F97-Y134 AromaticContact CE2-CG 2.75Å; F97-Y134 HydrophobicContact CE2-CG 2.75Å; F97-Y134 AromaticContact CE2-CZ 3.59Å; F97-Y134 HydrophobicContact CG-CD1 4.09Å; F97-Y134 HydrophobicContact CG-CD2 4.28Å; F97-Y134 AromaticContact CG-CE1 3.97Å; F97-Y134 HydrophobicContact CG-CE1 3.97Å; F97-Y134 AromaticContact CG-CE2 3.98Å; F97-Y134 HydrophobicContact CG-CE2 3.98Å; F97-Y134 HydrophobicContact CG-CG 4.16Å; F97-Y134 AromaticContact CG-CZ 3.9Å; F97-Y134 HydrophobicContact CZ-CD1 4.12Å; F97-Y134 AromaticContact CZ-CD2 3.54Å; F97-Y134 HydrophobicContact CZ-CD2 3.54Å; F97-Y134 HydrophobicContact CZ-CE2 4.08Å; F97-Y134 AromaticContact CZ-CG 3.31Å; F97-Y134 HydrophobicContact CZ-CG 3.31Å |
| 98 | S | 52.9 | Low | 72.6 | Confident | 119 Ų | 119 | 57 Ų | 57 | 83% | 0.832 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | 19.4 | 168 | 67 | 0 | 0 | 0 | 0 | 107.1 | I96 | I96-S98 PolarHBondContact O-N 2.99Š|
| 99 | S | 51.4 | Low | 72.3 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 70% | 0.699 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -153.8 | 3.3 | 176.1 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 100 | S | 59.4 | Low | 71.7 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -105.1 | 4.3 | -172.3 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | S104 | S100-S104 PolarHBondContact O-OG 3.17Å; S100-S104 VanDerWaalsContact O-OG 3.12Å |
| 101 | E | 62.4 | Low | 71.2 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -78.7 | -30.3 | -173.5 | -82.9 | -177.4 | 179.2 | 0 | 0 | 111.5 | F97 S104 L105 K164 N379 | F97-E101 HydrophobicContact CD1-CG 4.27Å; F97-E101 HydrophobicContact CE1-CG 4.07Å; E101-S104 PolarHBondContact O-N 2.86Å; E101-L105 PolarHBondContact O-N 3.24Å; E101-K164 IonicContact OE1-NZ 3.52Å; E101-K164 PolarHBondContact OE1-NZ 2.88Å; E101-N379 PolarHBondContact OE2-OD1 3.46Å |
| 102 | S | 57.7 | Low | 70.7 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.7 | -36.4 | -178.7 | 70.2 | 0 | 0 | 0 | 0 | 112 | S104 L105 D106 | S102-S104 VanDerWaalsContact C-N 3.27Å; S102-S104 PolarHBondContact O-N 3.4Å; S102-L105 PolarHBondContact O-N 3.16Å; S102-D106 PolarHBondContact O-N 3.26Å; S102-D106 VanDerWaalsContact O-N 3.16Å |
| 103 | Q | 66.4 | Low | 70.2 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.4 | -33.4 | -176.5 | -74.4 | 179.4 | 2.4 | 0 | 0 | 109.3 | L105 R107 | Q103-L105 VanDerWaalsContact C-N 3.25Å; Q103-L105 PolarHBondContact O-N 3.4Å; Q103-R107 WeakPolarHBondContact O-CB 3.25Å; Q103-R107 VanDerWaalsContact O-CG 3.27Å; Q103-R107 WeakPolarHBondContact O-CG 3.46Å; Q103-R107 PolarHBondContact O-N 3.25Å; Q103-R107 VanDerWaalsContact O-N 3.15Å |
| 104 | S | 75.1 | Confident | 69.6 | Low | 39 Ų | 39 | 59 Ų | 59 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69 | -33.8 | -179.3 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | S100 E101 S102 R107 A108 | S100-S104 PolarHBondContact O-OG 3.17Å; S100-S104 VanDerWaalsContact O-OG 3.12Å; E101-S104 PolarHBondContact O-N 2.86Å; S102-S104 VanDerWaalsContact C-N 3.27Å; S102-S104 PolarHBondContact O-N 3.4Å; S104-R107 PolarHBondContact O-N 2.98Å; S104-A108 WeakPolarHBondContact O-CB 3.07Å; S104-A108 PolarHBondContact O-N 3.39Å |
| 105 | L | 76.8 | Confident | 69.1 | Low | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.7 | -44.7 | -178.4 | -156.9 | 106 | 0 | 0 | 0 | 111.3 | E101 S102 Q103 R107 A108 I109 W132 I345 L383 S386 | E101-L105 PolarHBondContact O-N 3.24Å; S102-L105 PolarHBondContact O-N 3.16Å; Q103-L105 VanDerWaalsContact C-N 3.25Å; Q103-L105 PolarHBondContact O-N 3.4Å; L105-R107 PolarHBondContact O-N 3.15Å; L105-A108 WeakPolarHBondContact O-CB 3.32Å; L105-A108 PolarHBondContact O-N 3.14Å; L105-A108 VanDerWaalsContact O-N 3.08Å; L105-I109 HydrophobicContact CD2-CD1 3.99Å; L105-I109 HydrophobicContact CG-CD1 4.49Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.43Å; L105-I109 PolarHBondContact O-N 3.29Å; L105-W132 HydrophobicContact CD1-CH2 4.38Å; L105-I345 HydrophobicContact CD1-CD1 3.45Å; L105-I345 VanDerWaalsContact CD1-CD1 3.45Å; L105-I345 HydrophobicContact CD1-CG1 4.22Å; L105-L383 HydrophobicContact CD1-CD1 3.87Å; L105-L383 HydrophobicContact CD2-CB 3.93Å; L105-L383 HydrophobicContact CD2-CD1 3.17Å; L105-L383 HydrophobicContact CD2-CG 4.07Å; L105-L383 HydrophobicContact CG-CD1 3.83Å; L105-S386 WeakPolarHBondContact CD2-OG 3.25Å |
| 106 | D | 76.9 | Confident | 68.8 | Low | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 178.1 | -75.1 | -15.2 | 0 | 0 | 0 | 109.4 | S102 A108 I109 Q110 S386 | S102-D106 PolarHBondContact O-N 3.26Å; S102-D106 VanDerWaalsContact O-N 3.16Å; D106-A108 VanDerWaalsContact C-N 3.25Å; D106-A108 PolarHBondContact O-N 3.18Å; D106-I109 PolarHBondContact O-N 2.89Å; D106-Q110 WeakPolarHBondContact O-CB 2.58Å; D106-Q110 WeakPolarHBondContact O-CG 3.13Å; D106-Q110 PolarHBondContact O-N 3.2Å; D106-S386 WeakPolarHBondContact OD1-CA 3.5Å; D106-S386 WeakPolarHBondContact OD1-CB 3.2Å; D106-S386 PolarHBondContact OD1-OG 3.46Å |
| 107 | R | 77.4 | Confident | 68.6 | Low | 154 Ų | 154 | 51.9 Ų | 51.9 | 58% | 0.581 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | -178.5 | -73.9 | -174.1 | -165.8 | 163.9 | 0.9 | 110.3 | Q103 S104 L105 I109 Q110 S111 | Q103-R107 WeakPolarHBondContact O-CB 3.25Å; Q103-R107 VanDerWaalsContact O-CG 3.27Å; Q103-R107 WeakPolarHBondContact O-CG 3.46Å; Q103-R107 PolarHBondContact O-N 3.25Å; Q103-R107 VanDerWaalsContact O-N 3.15Å; S104-R107 PolarHBondContact O-N 2.98Å; L105-R107 PolarHBondContact O-N 3.15Å; R107-I109 VanDerWaalsContact C-N 3.3Å; R107-Q110 PolarHBondContact O-N 2.94Å; R107-S111 VanDerWaalsContact O-CB 3.27Å; R107-S111 WeakPolarHBondContact O-CB 2.97Å; R107-S111 PolarHBondContact O-N 2.7Å |
| 108 | A | 81.3 | Confident | 68.3 | Low | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S104 L105 D106 S111 I112 Q130 W132 L168 | S104-A108 WeakPolarHBondContact O-CB 3.07Å; S104-A108 PolarHBondContact O-N 3.39Å; L105-A108 WeakPolarHBondContact O-CB 3.32Å; L105-A108 PolarHBondContact O-N 3.14Å; L105-A108 VanDerWaalsContact O-N 3.08Å; D106-A108 VanDerWaalsContact C-N 3.25Å; D106-A108 PolarHBondContact O-N 3.18Å; A108-S111 PolarHBondContact O-N 2.85Å; A108-I112 WeakPolarHBondContact O-CG1 3.44Å; A108-I112 PolarHBondContact O-N 3.08Å; A108-Q130 HydrophobicContact CB-CB 3.87Å; A108-Q130 HydrophobicContact CB-CG 4.27Å; A108-W132 HydrophobicContact CB-CZ3 4.37Å; A108-L168 HydrophobicContact CB-CB 4.44Å; A108-L168 HydrophobicContact CB-CD2 3.74Å |
| 109 | I | 80.2 | Confident | 68.5 | Low | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 179.3 | -68 | 172.3 | 0 | 0 | 0 | 110.1 | L105 D106 R107 S111 I112 W113 L168 F343 V387 F390 | L105-I109 HydrophobicContact CD2-CD1 3.99Å; L105-I109 HydrophobicContact CG-CD1 4.49Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.43Å; L105-I109 PolarHBondContact O-N 3.29Å; D106-I109 PolarHBondContact O-N 2.89Å; R107-I109 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 3.18Å; I109-I112 PolarHBondContact O-N 3.33Å; I109-W113 WeakPolarHBondContact O-CB 3.4Å; I109-W113 PolarHBondContact O-N 2.96Å; I109-L168 HydrophobicContact CG1-CD2 3.64Å; I109-F343 HydrophobicContact CG2-CZ 4.17Å; I109-V387 HydrophobicContact CD1-CG2 3.75Å; I109-F390 HydrophobicContact CG2-CB 4.02Å; I109-F390 HydrophobicContact CG2-CD1 3.73Å; I109-F390 HydrophobicContact CG2-CD2 3.69Å; I109-F390 HydrophobicContact CG2-CE1 4.03Å; I109-F390 HydrophobicContact CG2-CE2 4.04Å; I109-F390 HydrophobicContact CG2-CG 3.54Å; I109-F390 HydrophobicContact CG2-CZ 4.18Å |
| 110 | Q | 78.1 | Confident | 68.5 | Low | 113 Ų | 113 | 54.5 Ų | 54.5 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | -179.4 | -74.7 | 179.3 | -2 | 0 | 0 | 109.5 | D106 R107 I112 W113 S114 F390 | D106-Q110 WeakPolarHBondContact O-CB 2.58Å; D106-Q110 WeakPolarHBondContact O-CG 3.13Å; D106-Q110 PolarHBondContact O-N 3.2Å; R107-Q110 PolarHBondContact O-N 2.94Å; Q110-I112 VanDerWaalsContact C-N 3.35Å; Q110-W113 PolarHBondContact O-N 3.25Å; Q110-S114 VanDerWaalsContact O-CB 3.29Å; Q110-S114 WeakPolarHBondContact O-CB 2.74Å; Q110-S114 PolarHBondContact O-N 3.36Å; Q110-S114 PolarHBondContact O-OG 2.96Å; Q110-S114 VanDerWaalsContact O-OG 3.06Å; Q110-F390 HydrophobicContact CG-CD2 4.27Å; Q110-F390 HydrophobicContact CG-CE2 4.41Å |
| 111 | S | 76.2 | Confident | 68.5 | Low | 36 Ų | 36 | 55 Ų | 55 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | -177.4 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | R107 A108 I109 W113 S114 D115 Q130 | R107-S111 VanDerWaalsContact O-CB 3.27Å; R107-S111 WeakPolarHBondContact O-CB 2.97Å; R107-S111 PolarHBondContact O-N 2.7Å; A108-S111 PolarHBondContact O-N 2.85Å; I109-S111 PolarHBondContact O-N 3.18Å; S111-W113 PolarHBondContact O-N 3.29Å; S111-S114 WeakPolarHBondContact CA-OG 2.8Å; S111-S114 PolarHBondContact O-OG 3.03Å; S111-D115 WeakPolarHBondContact O-CB 3.3Å; S111-D115 PolarHBondContact O-N 3.42Å; S111-Q130 PolarHBondContact OG-NE2 3.27Å; S111-Q130 VanDerWaalsContact OG-NE2 3.1Å |
| 112 | I | 76 | Confident | 68.5 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.6 | -63.5 | 176.3 | 0 | 0 | 0 | 113.6 | A108 I109 Q110 Y116 N127 Q130 L168 L170 F343 | A108-I112 WeakPolarHBondContact O-CG1 3.44Å; A108-I112 PolarHBondContact O-N 3.08Å; I109-I112 PolarHBondContact O-N 3.33Å; Q110-I112 VanDerWaalsContact C-N 3.35Å; I112-Y116 HydrophobicContact CG2-CD2 4.15Å; I112-Y116 HydrophobicContact CG2-CE2 3.8Å; I112-Y116 WeakPolarHBondContact O-CD2 3.38Å; I112-N127 WeakPolarHBondContact CG2-O 3.2Å; I112-Q130 HydrophobicContact CD1-CG 3.98Å; I112-Q130 HydrophobicContact CG1-CB 4.49Å; I112-Q130 HydrophobicContact CG1-CG 3.46Å; I112-Q130 VanDerWaalsContact CG1-CG 3.46Å; I112-L168 HydrophobicContact CD1-CD2 3.88Å; I112-L168 HydrophobicContact CD1-CG 4.13Å; I112-L170 HydrophobicContact CG2-CB 4.08Å; I112-L170 HydrophobicContact CG2-CD2 3.95Å; I112-F343 HydrophobicContact CD1-CE1 4.02Å; I112-F343 HydrophobicContact CG2-CE1 4.48Å |
| 113 | W | 74.9 | Confident | 68.9 | Low | 27 Ų | 27 | 54.3 Ų | 54.3 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72 | -44.4 | -178.9 | -168.8 | -99.9 | 0 | 0 | 0 | 111.7 | I109 Q110 S111 D115 Y116 T117 I329 L331 F390 V394 L397 | I109-W113 WeakPolarHBondContact O-CB 3.4Å; I109-W113 PolarHBondContact O-N 2.96Å; Q110-W113 PolarHBondContact O-N 3.25Å; S111-W113 PolarHBondContact O-N 3.29Å; W113-D115 PolarHBondContact O-N 3.33Å; W113-Y116 PolarHBondContact O-N 3Å; W113-T117 PolarHBondContact O-N 2.81Å; W113-T117 PolarHBondContact O-OG1 3.47Å; W113-I329 HydrophobicContact CZ3-CD1 4.44Å; W113-L331 HydrophobicContact CH2-CD1 4.08Å; W113-F390 HydrophobicContact CB-CE1 4.27Å; W113-F390 HydrophobicContact CB-CE2 3.83Å; W113-F390 HydrophobicContact CB-CZ 3.28Å; W113-F390 AromaticContact CD1-CZ 3.57Å; W113-F390 AromaticContact CD2-CE1 3.78Å; W113-F390 HydrophobicContact CD2-CE1 3.78Å; W113-F390 AromaticContact CD2-CZ 3.33Å; W113-F390 HydrophobicContact CD2-CZ 3.33Å; W113-F390 AromaticContact CE2-CZ 3.94Å; W113-F390 AromaticContact CE3-CE1 3.87Å; W113-F390 HydrophobicContact CE3-CE1 3.87Å; W113-F390 AromaticContact CE3-CZ 3.86Å; W113-F390 HydrophobicContact CE3-CZ 3.86Å; W113-F390 HydrophobicContact CG-CE1 4.01Å; W113-F390 AromaticContact CG-CE2 3.91Å; W113-F390 HydrophobicContact CG-CE2 3.91Å; W113-F390 AromaticContact CG-CZ 3.08Å; W113-F390 HydrophobicContact CG-CZ 3.08Å; W113-F390 HydrophobicContact CZ3-CE1 4.47Å; W113-V394 HydrophobicContact CZ2-CG1 3.86Å; W113-L397 HydrophobicContact CD2-CD1 4.3Å; W113-L397 HydrophobicContact CE3-CD1 4.25Å; W113-L397 HydrophobicContact CH2-CD1 3.3Å; W113-L397 HydrophobicContact CH2-CD2 3.47Å; W113-L397 VanDerWaalsContact CH2-CD2 3.47Å; W113-L397 HydrophobicContact CH2-CG 3.76Å; W113-L397 HydrophobicContact CZ2-CD1 3.38Å; W113-L397 HydrophobicContact CZ2-CD2 4.21Å; W113-L397 HydrophobicContact CZ2-CG 3.99Å; W113-L397 HydrophobicContact CZ3-CD1 3.76Å; W113-L397 HydrophobicContact CZ3-CD2 4.06Å; W113-L397 HydrophobicContact CZ3-CG 4.5Å |
| 114 | S | 69.2 | Low | 68.9 | Low | 38 Ų | 38 | 51 Ų | 51 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -33.5 | -175.6 | 58 | 0 | 0 | 0 | 0 | 110.9 | Q110 S111 Y116 T117 L118 | Q110-S114 VanDerWaalsContact O-CB 3.29Å; Q110-S114 WeakPolarHBondContact O-CB 2.74Å; Q110-S114 PolarHBondContact O-N 3.36Å; Q110-S114 PolarHBondContact O-OG 2.96Å; Q110-S114 VanDerWaalsContact O-OG 3.06Å; S111-S114 WeakPolarHBondContact CA-OG 2.8Å; S111-S114 PolarHBondContact O-OG 3.03Å; S114-Y116 PolarHBondContact O-N 2.79Å; S114-T117 WeakPolarHBondContact CA-OG1 3.4Å; S114-T117 PolarHBondContact O-N 2.87Å; S114-T117 VanDerWaalsContact O-N 3.15Å; S114-T117 PolarHBondContact O-OG1 2.78Å; S114-L118 VanDerWaalsContact O-CB 3.28Å; S114-L118 WeakPolarHBondContact O-CB 3.35Å; S114-L118 PolarHBondContact O-N 3.3Å |
| 115 | D | 66 | Low | 68.6 | Low | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.2 | -29.1 | -178.7 | -75.9 | -15.4 | 0 | 0 | 0 | 109.8 | S111 W113 T117 K119 N127 | S111-D115 WeakPolarHBondContact O-CB 3.3Å; S111-D115 PolarHBondContact O-N 3.42Å; W113-D115 PolarHBondContact O-N 3.33Å; D115-T117 VanDerWaalsContact C-N 3.3Å; D115-K119 HydrophobicContact CB-CD 4.43Å; D115-K119 WeakPolarHBondContact O-CB 3.2Å; D115-K119 PolarHBondContact O-N 2.79Å; D115-K119 WeakPolarHBondContact OD1-CE 3.43Å; D115-K119 IonicContact OD1-NZ 3.09Å; D115-K119 PolarHBondContact OD1-NZ 3.37Å; D115-N127 HydrophobicContact CB-CB 3.85Å; D115-N127 PolarHBondContact OD2-OD1 3.17Å |
| 116 | Y | 64.4 | Low | 68.2 | Low | 34 Ų | 34 | 50.4 Ų | 50.4 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.9 | -31.8 | 176.3 | -82.8 | -74.5 | 0 | 0 | 0 | 111.2 | I112 W113 S114 C128 L170 L265 L269 | I112-Y116 HydrophobicContact CG2-CD2 4.15Å; I112-Y116 HydrophobicContact CG2-CE2 3.8Å; I112-Y116 WeakPolarHBondContact O-CD2 3.38Å; W113-Y116 PolarHBondContact O-N 3Å; S114-Y116 PolarHBondContact O-N 2.79Å; Y116-C128 VanDerWaalsContact CZ-SG 3.55Å; Y116-C128 PolarHBondContact OH-SG 2.69Å; Y116-L170 HydrophobicContact CD2-CD2 4.34Å; Y116-L170 HydrophobicContact CE2-CD2 3.56Å; Y116-L265 HydrophobicContact CE1-CD2 3.79Å; Y116-L265 HydrophobicContact CE1-CG 4.07Å; Y116-L265 VanDerWaalsContact CZ-CD2 3.42Å; Y116-L265 WeakPolarHBondContact OH-CD2 3.18Å; Y116-L269 HydrophobicContact CD1-CD1 3.08Å; Y116-L269 HydrophobicContact CD1-CG 4.48Å; Y116-L269 HydrophobicContact CD2-CD1 4.3Å; Y116-L269 HydrophobicContact CE1-CD1 3.27Å; Y116-L269 HydrophobicContact CE2-CD1 4.46Å; Y116-L269 HydrophobicContact CG-CD1 3.63Å |
| 117 | T | 59.3 | Low | 67.8 | Low | 77 Ų | 77 | 49.2 Ų | 49.2 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -90.3 | -23.9 | -171.9 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | W113 S114 D115 | W113-T117 PolarHBondContact O-N 2.81Å; W113-T117 PolarHBondContact O-OG1 3.47Å; S114-T117 WeakPolarHBondContact CA-OG1 3.4Å; S114-T117 PolarHBondContact O-N 2.87Å; S114-T117 VanDerWaalsContact O-N 3.15Å; S114-T117 PolarHBondContact O-OG1 2.78Å; D115-T117 VanDerWaalsContact C-N 3.3Å |
| 118 | L | 52.7 | Low | 67.6 | Low | 84 Ų | 84 | 41.9 Ų | 41.9 | 44% | 0.44 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -121.3 | -20.7 | -161.8 | -72.7 | 165.2 | 0 | 0 | 0 | 108.6 | S114 V644 | S114-L118 VanDerWaalsContact O-CB 3.28Å; S114-L118 WeakPolarHBondContact O-CB 3.35Å; S114-L118 PolarHBondContact O-N 3.3Å; L118-V644 HydrophobicContact CD2-CG1 3.82Å |
| 119 | K | 56.7 | Low | 67.5 | Low | 120 Ų | 120 | 41.7 Ų | 41.7 | 52% | 0.522 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -103.8 | 142.4 | -169.8 | -76.1 | -175.6 | -176.6 | 179.5 | 0 | 111.3 | D115 | D115-K119 HydrophobicContact CB-CD 4.43Å; D115-K119 WeakPolarHBondContact O-CB 3.2Å; D115-K119 PolarHBondContact O-N 2.79Å; D115-K119 WeakPolarHBondContact OD1-CE 3.43Å; D115-K119 IonicContact OD1-NZ 3.09Å; D115-K119 PolarHBondContact OD1-NZ 3.37Å |
| 120 | S | 52 | Low | 67.8 | Low | 109 Ų | 109 | 43.5 Ų | 43.5 | 76% | 0.762 | 24% | 0.239 | S | C | * | . | trans | -54.6 | 145.8 | 173.4 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | S122 | S120-S122 PolarHBondContact O-N 2.9Š| ||
| 121 | L | 58.3 | Low | 68.1 | Low | 41 Ų | 41 | 38.4 Ų | 38.4 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | trans | -47.2 | 103.1 | -176 | -168.6 | 81.4 | 0 | 0 | 0 | 109.3 | F218 H266 | L121-F218 HydrophobicContact CB-CE1 4.1Å; L121-F218 HydrophobicContact CB-CZ 3.96Å; L121-F218 HydrophobicContact CD1-CE2 4.21Å; L121-F218 HydrophobicContact CD1-CZ 4.34Å; L121-F218 HydrophobicContact CD2-CD1 3.57Å; L121-F218 HydrophobicContact CD2-CD2 3.32Å; L121-F218 HydrophobicContact CD2-CE1 2.82Å; L121-F218 HydrophobicContact CD2-CE2 2.59Å; L121-F218 HydrophobicContact CD2-CG 3.86Å; L121-F218 HydrophobicContact CD2-CZ 2.47Å; L121-F218 HydrophobicContact CG-CD1 4.41Å; L121-F218 HydrophobicContact CG-CE1 3.57Å; L121-F218 HydrophobicContact CG-CE2 3.84Å; L121-F218 HydrophobicContact CG-CZ 3.52Å; L121-H266 VanDerWaalsContact CB-NE2 3.31Å; L121-H266 WeakPolarHBondContact CB-NE2 2.78Å; L121-H266 HydrophobicContact CD1-CB 3.61Å; L121-H266 WeakPolarHBondContact CD1-CD2 3.28Å; L121-H266 WeakPolarHBondContact CD1-CE1 2.91Å; L121-H266 WeakPolarHBondContact CD1-ND1 3.47Å; L121-H266 WeakPolarHBondContact CD1-NE2 3.18Å; L121-H266 WeakPolarHBondContact CD2-NE2 2.72Å; L121-H266 WeakPolarHBondContact CG-NE2 3.18Å | ||
| 122 | S | 62.8 | Low | 68.7 | Low | 51 Ų | 51 | 37.9 Ų | 37.9 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | trans | -109.6 | 119.2 | 168.1 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | S120 D124 K262 | S120-S122 PolarHBondContact O-N 2.9Å; S122-D124 PolarHBondContact O-N 3.25Å; S122-D124 VanDerWaalsContact O-N 3.15Å; S122-D124 WeakPolarHBondContact OG-CB 3.26Å; S122-D124 PolarHBondContact OG-N 3.05Å; S122-D124 VanDerWaalsContact OG-N 3.09Å; S122-K262 WeakPolarHBondContact O-CE 3.08Å; S122-K262 PolarHBondContact O-NZ 3.29Å | ||
| 123 | L | 65.6 | Low | 69.2 | Low | 28 Ų | 28 | 38.1 Ų | 38.1 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | trans | -71.7 | 9 | 177.2 | -72.7 | 167.9 | 0 | 0 | 0 | 108.5 | V216 F218 I249 K262 A263 | L123-V216 HydrophobicContact CD1-CB 4.49Å; L123-V216 HydrophobicContact CD1-CG1 3.68Å; L123-F218 HydrophobicContact CD1-CB 3.99Å; L123-F218 HydrophobicContact CD1-CD1 3.77Å; L123-F218 HydrophobicContact CD1-CG 4.2Å; L123-F218 HydrophobicContact CG-CD1 4.03Å; L123-I249 HydrophobicContact CD1-CD1 4.45Å; L123-K262 VanDerWaalsContact C-CE 3.48Å; L123-K262 VanDerWaalsContact CA-NZ 3.28Å; L123-K262 VanDerWaalsContact O-CD 3.26Å; L123-K262 WeakPolarHBondContact O-CD 3.3Å; L123-K262 PolarHBondContact O-NZ 3.25Å; L123-A263 HydrophobicContact CD2-CB 3.71Å | ||
| 124 | D | 67.5 | Low | 69.7 | Low | 48 Ų | 48 | 37 Ų | 37 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | trans | -65.1 | 123.6 | 172.8 | -164.8 | -10.5 | 0 | 0 | 0 | 118.6 | S122 T126 N127 K262 | S122-D124 PolarHBondContact O-N 3.25Å; S122-D124 VanDerWaalsContact O-N 3.15Å; S122-D124 WeakPolarHBondContact OG-CB 3.26Å; S122-D124 PolarHBondContact OG-N 3.05Å; S122-D124 VanDerWaalsContact OG-N 3.09Å; D124-T126 PolarHBondContact O-N 2.93Å; D124-T126 VanDerWaalsContact OD1-CG2 3.25Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.26Å; D124-T126 PolarHBondContact OD1-N 2.84Å; D124-T126 PolarHBondContact OD1-OG1 3.32Å; D124-T126 WeakPolarHBondContact OD2-CG2 3.09Å; D124-T126 PolarHBondContact OD2-OG1 3.29Å; D124-N127 PolarHBondContact O-N 2.47Å; D124-K262 VanDerWaalsContact O-CE 3.23Å; D124-K262 WeakPolarHBondContact O-CE 3.44Å; D124-K262 PolarHBondContact O-NZ 3.24Å | ||
| 125 | I | 69.2 | Low | 70.4 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -65.7 | -12.2 | -172.7 | -164.6 | 163.6 | 0 | 0 | 0 | 111 | L19 Y58 F60 L66 N127 C128 I129 F258 | L19-I125 HydrophobicContact CD1-CD1 3.33Å; L19-I125 HydrophobicContact CD1-CG1 4.19Å; L19-I125 HydrophobicContact CD2-CD1 4.25Å; L19-I125 HydrophobicContact CG-CD1 4.29Å; Y58-I125 HydrophobicContact CD1-CG2 4.07Å; Y58-I125 HydrophobicContact CD2-CG2 3.77Å; Y58-I125 HydrophobicContact CE1-CG2 4.06Å; Y58-I125 HydrophobicContact CE2-CG2 3.8Å; Y58-I125 HydrophobicContact CG-CG2 3.91Å; F60-I125 HydrophobicContact CE1-CD1 4.42Å; F60-I125 HydrophobicContact CZ-CB 4.49Å; F60-I125 HydrophobicContact CZ-CG2 4.33Å; L66-I125 HydrophobicContact CD2-CD1 4.21Å; I125-N127 PolarHBondContact O-N 2.79Å; I125-C128 PolarHBondContact O-N 2.85Å; I125-I129 HydrophobicContact CB-CD1 4.4Å; I125-I129 HydrophobicContact CD1-CD1 3.15Å; I125-I129 HydrophobicContact CD1-CG1 4.26Å; I125-I129 HydrophobicContact CG1-CD1 3.25Å; I125-I129 HydrophobicContact CG1-CG1 3.89Å; I125-I129 HydrophobicContact CG2-CD1 4.28Å; I125-I129 PolarHBondContact O-N 2.68Å; I125-F258 HydrophobicContact CB-CD1 3.89Å; I125-F258 HydrophobicContact CB-CE1 3.33Å; I125-F258 HydrophobicContact CB-CZ 4.05Å; I125-F258 HydrophobicContact CD1-CD1 3.09Å; I125-F258 HydrophobicContact CD1-CD2 3.77Å; I125-F258 HydrophobicContact CD1-CE1 2.65Å; I125-F258 HydrophobicContact CD1-CE2 3.81Å; I125-F258 HydrophobicContact CD1-CG 3.63Å; I125-F258 HydrophobicContact CD1-CZ 2.8Å; I125-F258 HydrophobicContact CG1-CD1 3.55Å; I125-F258 HydrophobicContact CG1-CE1 2.66Å; I125-F258 HydrophobicContact CG1-CE2 4.34Å; I125-F258 HydrophobicContact CG1-CG 4.49Å; I125-F258 HydrophobicContact CG1-CZ 2.91Å |
| 126 | T | 67.6 | Low | 71.2 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -58.2 | -20.4 | -171.5 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | Y58 F85 D124 C128 | Y58-T126 HydrophobicContact CD2-CG2 3.78Å; Y58-T126 HydrophobicContact CE2-CG2 2.98Å; F85-T126 HydrophobicContact CB-CG2 4Å; D124-T126 PolarHBondContact O-N 2.93Å; D124-T126 VanDerWaalsContact OD1-CG2 3.25Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.26Å; D124-T126 PolarHBondContact OD1-N 2.84Å; D124-T126 PolarHBondContact OD1-OG1 3.32Å; D124-T126 WeakPolarHBondContact OD2-CG2 3.09Å; D124-T126 PolarHBondContact OD2-OG1 3.29Å; T126-C128 VanDerWaalsContact C-N 3.3Å; T126-C128 PolarHBondContact O-N 2.94Å |
| 127 | N | 69 | Low | 71.9 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -88.7 | -8.3 | -177.7 | -64.6 | -14.5 | 0 | 0 | 0 | 111.3 | I112 D115 D124 I125 | I112-N127 WeakPolarHBondContact CG2-O 3.2Å; D115-N127 HydrophobicContact CB-CB 3.85Å; D115-N127 PolarHBondContact OD2-OD1 3.17Å; D124-N127 PolarHBondContact O-N 2.47Å; I125-N127 PolarHBondContact O-N 2.79Å |
| 128 | C | 73.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -8.4 | -179.2 | -62 | 0 | 0 | 0 | 0 | 109.7 | Y116 I125 T126 L170 W261 | Y116-C128 VanDerWaalsContact CZ-SG 3.55Å; Y116-C128 PolarHBondContact OH-SG 2.69Å; I125-C128 PolarHBondContact O-N 2.85Å; T126-C128 VanDerWaalsContact C-N 3.3Å; T126-C128 PolarHBondContact O-N 2.94Å; C128-L170 PolarHBondContact O-N 3.36Å; C128-W261 HydrophobicContact CB-CH2 4.12Å; C128-W261 HydrophobicContact CB-CZ3 4.1Å |
| 129 | I | 79.5 | Confident | 72.5 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.2 | -176.6 | -59.7 | 169.3 | 0 | 0 | 0 | 111.3 | L19 L66 I125 F131 C167 L168 V169 | L19-I129 HydrophobicContact CD1-CD1 3.91Å; L19-I129 HydrophobicContact CD1-CG1 4.48Å; L19-I129 HydrophobicContact CD2-CD1 3.39Å; L19-I129 HydrophobicContact CD2-CG1 3.8Å; L19-I129 HydrophobicContact CG-CD1 4.49Å; L66-I129 HydrophobicContact CD2-CD1 3.68Å; I125-I129 HydrophobicContact CB-CD1 4.4Å; I125-I129 HydrophobicContact CD1-CD1 3.15Å; I125-I129 HydrophobicContact CD1-CG1 4.26Å; I125-I129 HydrophobicContact CG1-CD1 3.25Å; I125-I129 HydrophobicContact CG1-CG1 3.89Å; I125-I129 HydrophobicContact CG2-CD1 4.28Å; I125-I129 PolarHBondContact O-N 2.68Å; I129-F131 HydrophobicContact CB-CE2 4.3Å; I129-F131 HydrophobicContact CG2-CD2 3.78Å; I129-F131 HydrophobicContact CG2-CE2 3.13Å; I129-F131 HydrophobicContact CG2-CZ 3.56Å; I129-C167 WeakPolarHBondContact CG2-SG 3.33Å; I129-L168 WeakPolarHBondContact CA-O 2.96Å; I129-V169 HydrophobicContact CG1-CG1 4.35Å; I129-V169 HydrophobicContact CG1-CG2 4.2Å; I129-V169 HydrophobicContact CG2-CG2 4.32Å |
| 130 | Q | 85.2 | Confident | 71.8 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.4 | 178.1 | -68.7 | -68.7 | -22.7 | 0 | 0 | 110.4 | A108 S111 I112 C167 L168 | A108-Q130 HydrophobicContact CB-CB 3.87Å; A108-Q130 HydrophobicContact CB-CG 4.27Å; S111-Q130 PolarHBondContact OG-NE2 3.27Å; S111-Q130 VanDerWaalsContact OG-NE2 3.1Å; I112-Q130 HydrophobicContact CD1-CG 3.98Å; I112-Q130 HydrophobicContact CG1-CB 4.49Å; I112-Q130 HydrophobicContact CG1-CG 3.46Å; I112-Q130 VanDerWaalsContact CG1-CG 3.46Å; Q130-C167 CarbonylContact O-C 3.53Å; Q130-C167 VanDerWaalsContact O-CA 3.3Å; Q130-C167 WeakPolarHBondContact O-CA 3.41Å; Q130-L168 PolarHBondContact N-O 2.74Å; Q130-L168 PolarHBondContact O-N 3.35Å |
| 131 | F | 85.8 | Confident | 71.1 | Confident | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 153.4 | -178.8 | -70 | -94.8 | 0 | 0 | 0 | 109.5 | V26 Y58 V68 I87 P88 I129 V165 E166 C167 L370 | V26-F131 HydrophobicContact CG1-CE1 4.32Å; V26-F131 HydrophobicContact CG1-CZ 4.2Å; Y58-F131 AromaticContact CE1-CE2 3.83Å; Y58-F131 HydrophobicContact CE1-CE2 3.83Å; Y58-F131 HydrophobicContact CE1-CZ 4.5Å; V68-F131 HydrophobicContact CG2-CE1 3.98Å; V68-F131 HydrophobicContact CG2-CE2 4.05Å; V68-F131 HydrophobicContact CG2-CZ 3.5Å; V68-F131 VanDerWaalsContact CG2-CZ 3.5Å; I87-F131 HydrophobicContact CB-CB 4.24Å; I87-F131 HydrophobicContact CD1-CB 3.74Å; I87-F131 HydrophobicContact CD1-CG 4.11Å; I87-F131 HydrophobicContact CG1-CB 3.66Å; I87-F131 HydrophobicContact CG1-CG 4.39Å; I87-F131 HydrophobicContact CG2-CB 3.68Å; P88-F131 WeakPolarHBondContact CD-O 3.46Å; I129-F131 HydrophobicContact CB-CE2 4.3Å; I129-F131 HydrophobicContact CG2-CD2 3.78Å; I129-F131 HydrophobicContact CG2-CE2 3.13Å; I129-F131 HydrophobicContact CG2-CZ 3.56Å; F131-V165 HydrophobicContact CD1-CG1 4.25Å; F131-E166 WeakPolarHBondContact CA-O 3.28Å; F131-C167 HydrophobicContact CD1-CB 3.65Å; F131-C167 HydrophobicContact CE1-CB 3.54Å; F131-C167 HydrophobicContact CG-CB 4.37Å; F131-C167 HydrophobicContact CZ-CB 4.13Å; F131-L370 HydrophobicContact CD1-CD1 4.31Å; F131-L370 HydrophobicContact CE1-CD1 3.62Å |
| 132 | W | 87 | Confident | 70.1 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 144.7 | 164.6 | 61.9 | 94.4 | 0 | 0 | 0 | 108.1 | L105 A108 E166 L168 | L105-W132 HydrophobicContact CD1-CH2 4.38Å; A108-W132 HydrophobicContact CB-CZ3 4.37Å; W132-E166 HydrophobicContact CD2-CB 3.79Å; W132-E166 HydrophobicContact CE3-CB 4.49Å; W132-E166 HydrophobicContact CG-CB 4.31Å; W132-E166 HydrophobicContact CH2-CB 3.84Å; W132-E166 HydrophobicContact CZ2-CB 3.11Å; W132-E166 HydrophobicContact CZ2-CG 3.96Å; W132-E166 WeakPolarHBondContact CZ2-OE2 3.4Å; W132-E166 HydrophobicContact CZ3-CB 4.47Å; W132-E166 PolarHBondContact N-O 3.47Å; W132-E166 VanDerWaalsContact NE1-CB 3.27Å; W132-E166 PolarHBondContact NE1-OE2 2.93Å; W132-E166 PolarHBondContact O-N 3.19Å; W132-L168 HydrophobicContact CH2-CB 4.08Å; W132-L168 HydrophobicContact CZ3-CB 3.81Å |
| 133 | A | 87.1 | Confident | 68.9 | Low | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 155.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L54 I87 P88 F89 E90 K164 V165 | L54-A133 HydrophobicContact CD1-CB 4.16Å; I87-A133 HydrophobicContact CG2-CB 4.28Å; P88-A133 PolarHBondContact O-N 3.03Å; F89-A133 WeakPolarHBondContact CA-O 2.76Å; F89-A133 HydrophobicContact CD2-CB 3.54Å; F89-A133 HydrophobicContact CE2-CB 4.1Å; E90-A133 PolarHBondContact N-O 2.89Å; A133-K164 CarbonylContact C-O 3.47Å; A133-K164 VanDerWaalsContact CA-O 3.27Å; A133-K164 WeakPolarHBondContact CA-O 3.41Å; A133-V165 HydrophobicContact CB-CG2 3.96Å |
| 134 | Y | 85.6 | Confident | 67.6 | Low | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.8 | -177.7 | 168.3 | -95.3 | 0 | 0 | 0 | 112.1 | E90 A92 Y94 D95 F97 C136 K162 F163 K164 | E90-Y134 HydrophobicContact CB-CD2 4.18Å; E90-Y134 HydrophobicContact CG-CD2 4.36Å; E90-Y134 WeakPolarHBondContact O-CA 3.18Å; E90-Y134 WeakPolarHBondContact O-CD2 2.81Å; A92-Y134 HydrophobicContact CB-CE2 3.83Å; Y94-Y134 PolarHBondContact O-OH 3.2Å; D95-Y134 WeakPolarHBondContact CA-OH 3.09Å; D95-Y134 PolarHBondContact OD1-OH 3.24Å; F97-Y134 HydrophobicContact CB-CE1 4.31Å; F97-Y134 AromaticContact CD2-CD1 3.33Å; F97-Y134 HydrophobicContact CD2-CD1 3.33Å; F97-Y134 AromaticContact CD2-CD2 3.01Å; F97-Y134 HydrophobicContact CD2-CD2 3.01Å; F97-Y134 AromaticContact CD2-CE1 3.2Å; F97-Y134 HydrophobicContact CD2-CE1 3.2Å; F97-Y134 AromaticContact CD2-CE2 2.67Å; F97-Y134 HydrophobicContact CD2-CE2 2.67Å; F97-Y134 AromaticContact CD2-CG 3.16Å; F97-Y134 HydrophobicContact CD2-CG 3.16Å; F97-Y134 AromaticContact CD2-CZ 2.87Å; F97-Y134 HydrophobicContact CE1-CG 4.28Å; F97-Y134 AromaticContact CE2-CD1 3.5Å; F97-Y134 HydrophobicContact CE2-CD1 3.5Å; F97-Y134 VanDerWaalsContact CE2-CD1 3.5Å; F97-Y134 AromaticContact CE2-CD2 2.6Å; F97-Y134 HydrophobicContact CE2-CD2 2.6Å; F97-Y134 AromaticContact CE2-CE1 3.85Å; F97-Y134 HydrophobicContact CE2-CE1 3.85Å; F97-Y134 AromaticContact CE2-CE2 2.86Å; F97-Y134 HydrophobicContact CE2-CE2 2.86Å; F97-Y134 AromaticContact CE2-CG 2.75Å; F97-Y134 HydrophobicContact CE2-CG 2.75Å; F97-Y134 AromaticContact CE2-CZ 3.59Å; F97-Y134 HydrophobicContact CG-CD1 4.09Å; F97-Y134 HydrophobicContact CG-CD2 4.28Å; F97-Y134 AromaticContact CG-CE1 3.97Å; F97-Y134 HydrophobicContact CG-CE1 3.97Å; F97-Y134 AromaticContact CG-CE2 3.98Å; F97-Y134 HydrophobicContact CG-CE2 3.98Å; F97-Y134 HydrophobicContact CG-CG 4.16Å; F97-Y134 AromaticContact CG-CZ 3.9Å; F97-Y134 HydrophobicContact CZ-CD1 4.12Å; F97-Y134 AromaticContact CZ-CD2 3.54Å; F97-Y134 HydrophobicContact CZ-CD2 3.54Å; F97-Y134 HydrophobicContact CZ-CE2 4.08Å; F97-Y134 AromaticContact CZ-CG 3.31Å; F97-Y134 HydrophobicContact CZ-CG 3.31Å; Y134-C136 HydrophobicContact CE1-CB 4.15Å; Y134-C136 WeakPolarHBondContact OH-CB 3.43Å; Y134-K162 HydrophobicContact CE1-CD 4.26Å; Y134-F163 CarbonylContact O-C 3.59Å; Y134-F163 WeakPolarHBondContact O-CA 2.86Å; Y134-K164 PolarHBondContact N-O 2.84Å; Y134-K164 PolarHBondContact O-N 3.02Å |
| 135 | A | 85 | Confident | 66.3 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F89 E90 L91 A92 F160 K162 F163 | F89-A135 HydrophobicContact CE2-CB 3.65Å; F89-A135 HydrophobicContact CZ-CB 3.54Å; E90-A135 PolarHBondContact O-N 3.07Å; L91-A135 WeakPolarHBondContact CA-O 3.21Å; L91-A135 HydrophobicContact CD2-CB 3.7Å; A92-A135 PolarHBondContact N-O 3.49Å; A135-F160 HydrophobicContact CB-CB 4.31Å; A135-F160 HydrophobicContact CB-CD1 3.69Å; A135-F160 HydrophobicContact CB-CD2 4.25Å; A135-F160 HydrophobicContact CB-CE1 4.01Å; A135-F160 HydrophobicContact CB-CE2 4.48Å; A135-F160 HydrophobicContact CB-CG 3.83Å; A135-F160 HydrophobicContact CB-CZ 4.42Å; A135-K162 CarbonylContact C-O 3.59Å; A135-K162 WeakPolarHBondContact CA-O 3.49Å; A135-F163 HydrophobicContact CB-CD2 3.61Å; A135-F163 HydrophobicContact CB-CE2 4.15Å; A135-F163 HydrophobicContact CB-CG 4.49Å |
| 136 | C | 81.4 | Confident | 64.8 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.6 | 175.3 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | A92 Y134 F160 S161 K162 | A92-C136 CarbonylContact O-C 3.36Å; A92-C136 WeakPolarHBondContact O-CA 3.34Å; Y134-C136 HydrophobicContact CE1-CB 4.15Å; Y134-C136 WeakPolarHBondContact OH-CB 3.43Å; C136-F160 CarbonylContact O-C 3.51Å; C136-F160 VanDerWaalsContact O-C 3.29Å; C136-F160 WeakPolarHBondContact O-CA 3.38Å; C136-F160 WeakPolarHBondContact O-CB 3.11Å; C136-S161 PolarHBondContact O-N 3.07Å; C136-S161 PolarHBondContact O-OG 3.31Å; C136-S161 PolarHBondContact SG-OG 2.78Å; C136-K162 PolarHBondContact N-O 2.68Å; C136-K162 PolarHBondContact O-N 2.48Å; C136-K162 WeakPolarHBondContact SG-CB 3.48Å; C136-K162 PolarHBondContact SG-N 2.67Å; C136-K162 VanDerWaalsContact SG-N 3.37Å |
| 137 | V | 80.2 | Confident | 63.4 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -44 | -172.3 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | Y39 I42 A92 F160 S161 | Y39-V137 HydrophobicContact CD2-CG1 4.3Å; Y39-V137 HydrophobicContact CD2-CG2 4.23Å; Y39-V137 HydrophobicContact CE2-CG1 3.59Å; Y39-V137 HydrophobicContact CE2-CG2 4.33Å; I42-V137 HydrophobicContact CG1-CG2 4.41Å; I42-V137 HydrophobicContact CG2-CG2 3.45Å; I42-V137 VanDerWaalsContact CG2-CG2 3.45Å; A92-V137 PolarHBondContact O-N 2.88Å; A92-V137 VanDerWaalsContact O-N 3.12Å; V137-F160 HydrophobicContact CG2-CD1 4.45Å; V137-S161 WeakPolarHBondContact O-CB 3.22Å; V137-S161 PolarHBondContact O-OG 3.17Å |
| 138 | T | 67.9 | Low | 62.2 | Low | 61 Ų | 61 | 75.1 Ų | 75.1 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.2 | -170.1 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | K93 Y94 S140 S161 | K93-T138 PolarHBondContact O-N 3.49Å; K93-T138 PolarHBondContact O-OG1 3.38Å; Y94-T138 WeakPolarHBondContact CD1-OG1 3.2Å; T138-S140 PolarHBondContact O-N 2.42Å; T138-S161 PolarHBondContact N-OG 3.29Å; T138-S161 PolarHBondContact O-OG 2.92Å |
| 139 | K | 55.9 | Low | 60.4 | Low | 161 Ų | 161 | 82.9 Ų | 82.9 | 70% | 0.7 | 44% | 0.436 | S | S | * | . | trans | -73.4 | 109 | 173.6 | -89.2 | -174.9 | -177.3 | 179.5 | 0 | 108.4 | G141 | K139-G141 PolarHBondContact O-N 2.81Š| ||
| 140 | S | 42.2 | Very low | 58.4 | Low | 90 Ų | 90 | 90.3 Ų | 90.3 | 63% | 0.629 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -18.2 | 91.9 | 161.7 | 147.2 | 0 | 0 | 0 | 0 | 110.7 | T138 | T138-S140 PolarHBondContact O-N 2.42Š|
| 141 | G | 36.8 | Very low | 56.4 | Low | 55 Ų | 55 | 95.9 Ų | 95.9 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 120.8 | 65.4 | 137 | 0 | 0 | 0 | 0 | 0 | 109.6 | K139 | K139-G141 PolarHBondContact O-N 2.81Š|
| 142 | N | 38.3 | Very low | 54.2 | Low | 158 Ų | 158 | 103.7 Ų | 103.7 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -179.8 | 20.8 | 143.7 | -80.4 | -11.8 | 0 | 0 | 0 | 112.4 | ||
| 143 | N | 36.9 | Very low | 51.8 | Low | 152 Ų | 152 | 108 Ų | 108 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | trans | -128.4 | 68.5 | 170.9 | -87.9 | -9.9 | 0 | 0 | 0 | 109.2 | D145 | N143-D145 PolarHBondContact O-N 3.19Š| ||
| 144 | R | 38 | Very low | 49.7 | Very low | 258 Ų | 258 | 111.2 Ų | 111.2 | 97% | 0.974 | 58% | 0.576 | S | S | * | * | trans | -39.8 | 16.1 | 158.2 | -83.9 | -169.9 | -168.1 | -173.1 | -2.3 | 110.6 | ||||
| 145 | D | 39.9 | Very low | 47.4 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -123.3 | 60.9 | 171.8 | -95.9 | -12 | 0 | 0 | 0 | 110.1 | N143 R147 | N143-D145 PolarHBondContact O-N 3.19Å; D145-R147 PolarHBondContact O-N 3.47Å | ||
| 146 | G | 37.8 | Very low | 45.3 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | trans | 2.9 | 27.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 147 | R | 39.1 | Very low | 43.7 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -129.3 | 81.9 | 173.6 | -79.8 | -171.2 | -158.4 | -165.5 | 0.5 | 107.9 | D145 K149 | D145-R147 PolarHBondContact O-N 3.47Å; R147-K149 HydrophobicContact CB-CG 3.8Å; R147-K149 PolarHBondContact O-N 3.08Å | ||
| 148 | V | 43 | Very low | 42.7 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | trans | -50.5 | 80.2 | 158.5 | 179.2 | 0 | 0 | 0 | 0 | 105.4 | K150 | V148-K150 PolarHBondContact O-N 2.5Š| ||
| 149 | K | 35.3 | Very low | 42.7 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -68.4 | 66.2 | 179.8 | -87.5 | -175.6 | -177.5 | -178.2 | 0 | 106.9 | R147 | R147-K149 HydrophobicContact CB-CG 3.8Å; R147-K149 PolarHBondContact O-N 3.08Å | ||
| 150 | K | 38.3 | Very low | 43.6 | Very low | 157 Ų | 157 | 128 Ų | 128 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | trans | 131 | 96.6 | 150.2 | -94.4 | -179 | -178.1 | -177.8 | 0 | 109 | V148 Q152 D153 | V148-K150 PolarHBondContact O-N 2.5Å; K150-Q152 PolarHBondContact O-N 3.11Å; K150-D153 PolarHBondContact O-N 2.55Å | ||
| 151 | L | 42.2 | Very low | 45 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 82% | 0.822 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -35.8 | -15.6 | 167.7 | -136.2 | 94.1 | 0 | 0 | 0 | 111.1 | D153 | L151-D153 PolarHBondContact O-N 2.77Š|
| 152 | Q | 41 | Very low | 46.9 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 80% | 0.799 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -98.7 | 6.5 | -173 | -84.1 | 178.2 | 13.9 | 0 | 0 | 111.2 | K150 | K150-Q152 PolarHBondContact O-N 3.11Š|
| 153 | D | 36.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 119 Ų | 119 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -111.2 | 14 | 177.1 | -84.5 | -14.7 | 0 | 0 | 0 | 110.6 | K150 L151 T155 | K150-D153 PolarHBondContact O-N 2.55Å; L151-D153 PolarHBondContact O-N 2.77Å; D153-T155 PolarHBondContact O-N 3.42Å |
| 154 | L | 42.5 | Very low | 51 | Low | 71 Ų | 71 | 112.3 Ų | 112.3 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | trans | -91.7 | 45.8 | 177.5 | -98.3 | 127.9 | 0 | 0 | 0 | 106.9 | ||||
| 155 | T | 37.8 | Very low | 53.1 | Low | 100 Ų | 100 | 100 Ų | 100 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -70.9 | 91.6 | 168.2 | 36.2 | 0 | 0 | 0 | 0 | 107.9 | D153 E157 | D153-T155 PolarHBondContact O-N 3.42Å; T155-E157 PolarHBondContact O-N 2.96Å |
| 156 | F | 39.7 | Very low | 55.2 | Low | 180 Ų | 180 | 93.4 Ų | 93.4 | 79% | 0.789 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 93.3 | 16.5 | 152.4 | -85.5 | -84.5 | 0 | 0 | 0 | 111.2 | F358 | F156-F358 HydrophobicContact CD1-CZ 4.3Å; F156-F358 HydrophobicContact CE1-CZ 4.18Å |
| 157 | E | 48.2 | Very low | 57.4 | Low | 162 Ų | 162 | 89.7 Ų | 89.7 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -125 | 94.2 | -169.1 | -95.8 | -175.9 | 178 | 0 | 0 | 109.6 | T155 | T155-E157 PolarHBondContact O-N 2.96Š|
| 158 | M | 58.3 | Low | 59.5 | Low | 99 Ų | 99 | 80.3 Ų | 80.3 | 49% | 0.488 | 39% | 0.394 | S | S | . | . | trans | 15.4 | 100.9 | 169.2 | -112.6 | 179.7 | 110.9 | 0 | 0 | 113.2 | F160 | M158-F160 PolarHBondContact O-N 2.89Å; M158-F160 VanDerWaalsContact O-N 3.07Å | ||
| 159 | Y | 67.5 | Low | 61.3 | Low | 55 Ų | 55 | 75.1 Ų | 75.1 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -38.2 | -25.7 | 171.4 | -67.7 | -74.6 | 0 | 0 | 0 | 110.3 | C35 K36 Y39 F366 | C35-Y159 HydrophobicContact CB-CD2 4.03Å; C35-Y159 HydrophobicContact CB-CE2 4.45Å; K36-Y159 HydrophobicContact CB-CE1 4.01Å; K36-Y159 HydrophobicContact CB-CE2 4.44Å; K36-Y159 HydrophobicContact CD-CE1 4.3Å; K36-Y159 HydrophobicContact CD-CE2 4.4Å; K36-Y159 WeakPolarHBondContact CD-OH 3.35Å; K36-Y159 WeakPolarHBondContact CE-OH 2.85Å; K36-Y159 HydrophobicContact CG-CD1 4.36Å; K36-Y159 HydrophobicContact CG-CD2 4.44Å; K36-Y159 HydrophobicContact CG-CE1 3.37Å; K36-Y159 HydrophobicContact CG-CE2 3.46Å; K36-Y159 VanDerWaalsContact CG-CE2 3.46Å; K36-Y159 WeakPolarHBondContact CG-OH 3.2Å; Y39-Y159 HydrophobicContact CD1-CD1 4.08Å; Y39-Y159 HydrophobicContact CD2-CD1 4.36Å; Y39-Y159 WeakPolarHBondContact CD2-O 2.98Å; Y39-Y159 WeakPolarHBondContact CE2-O 3.29Å; Y39-Y159 AromaticContact CG-CD1 3.81Å; Y39-Y159 HydrophobicContact CG-CD1 3.81Å; Y39-Y159 HydrophobicContact CG-CG 4.45Å; Y159-F366 HydrophobicContact CE2-CE2 4.42Å |
| 160 | F | 75 | Confident | 63.3 | Low | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | trans | -131.7 | 136.1 | -171.4 | -59.1 | -70.6 | 0 | 0 | 0 | 110.3 | C35 A38 L91 A135 C136 V137 M158 F163 | C35-F160 HydrophobicContact CB-CE2 4.18Å; A38-F160 HydrophobicContact CB-CE1 4.5Å; A38-F160 HydrophobicContact CB-CE2 4.48Å; A38-F160 HydrophobicContact CB-CZ 3.64Å; L91-F160 HydrophobicContact CD2-CE1 3.74Å; L91-F160 HydrophobicContact CD2-CZ 4.09Å; A135-F160 HydrophobicContact CB-CB 4.31Å; A135-F160 HydrophobicContact CB-CD1 3.69Å; A135-F160 HydrophobicContact CB-CD2 4.25Å; A135-F160 HydrophobicContact CB-CE1 4.01Å; A135-F160 HydrophobicContact CB-CE2 4.48Å; A135-F160 HydrophobicContact CB-CG 3.83Å; A135-F160 HydrophobicContact CB-CZ 4.42Å; C136-F160 CarbonylContact O-C 3.51Å; C136-F160 VanDerWaalsContact O-C 3.29Å; C136-F160 WeakPolarHBondContact O-CA 3.38Å; C136-F160 WeakPolarHBondContact O-CB 3.11Å; V137-F160 HydrophobicContact CG2-CD1 4.45Å; M158-F160 PolarHBondContact O-N 2.89Å; M158-F160 VanDerWaalsContact O-N 3.07Å; F160-F163 HydrophobicContact CD2-CD2 4.24Å | ||
| 161 | S | 72.7 | Confident | 65 | Low | 37 Ų | 37 | 60.4 Ų | 60.4 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -68.3 | -27.9 | 172.7 | 64 | 0 | 0 | 0 | 0 | 111.8 | C136 V137 T138 | C136-S161 PolarHBondContact O-N 3.07Å; C136-S161 PolarHBondContact O-OG 3.31Å; C136-S161 PolarHBondContact SG-OG 2.78Å; V137-S161 WeakPolarHBondContact O-CB 3.22Å; V137-S161 PolarHBondContact O-OG 3.17Å; T138-S161 PolarHBondContact N-OG 3.29Å; T138-S161 PolarHBondContact O-OG 2.92Å |
| 162 | K | 76.1 | Confident | 66.5 | Low | 57 Ų | 57 | 53.3 Ų | 53.3 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 128.5 | -179.5 | -171 | 174.1 | -179.6 | 177.3 | 0 | 109 | D95 Y134 A135 C136 E350 | D95-K162 IonicContact OD2-NZ 3.75Å; Y134-K162 HydrophobicContact CE1-CD 4.26Å; A135-K162 CarbonylContact C-O 3.59Å; A135-K162 WeakPolarHBondContact CA-O 3.49Å; C136-K162 PolarHBondContact N-O 2.68Å; C136-K162 PolarHBondContact O-N 2.48Å; C136-K162 WeakPolarHBondContact SG-CB 3.48Å; C136-K162 PolarHBondContact SG-N 2.67Å; C136-K162 VanDerWaalsContact SG-N 3.37Å; K162-E350 IonicContact NZ-OE1 3.53Å |
| 163 | F | 80.1 | Confident | 67.9 | Low | 20 Ų | 20 | 47 Ų | 47 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 124.6 | 175.7 | -172.1 | -90.2 | 0 | 0 | 0 | 107.8 | F28 F89 Y134 A135 F160 V165 W368 | F28-F163 HydrophobicContact CE1-CE1 4.3Å; F28-F163 HydrophobicContact CE1-CZ 4.21Å; F89-F163 AromaticContact CE2-CE2 3.85Å; F89-F163 HydrophobicContact CE2-CE2 3.85Å; F89-F163 HydrophobicContact CE2-CZ 4.43Å; F89-F163 AromaticContact CZ-CE2 3.97Å; F89-F163 HydrophobicContact CZ-CE2 3.97Å; Y134-F163 CarbonylContact O-C 3.59Å; Y134-F163 WeakPolarHBondContact O-CA 2.86Å; A135-F163 HydrophobicContact CB-CD2 3.61Å; A135-F163 HydrophobicContact CB-CE2 4.15Å; A135-F163 HydrophobicContact CB-CG 4.49Å; F160-F163 HydrophobicContact CD2-CD2 4.24Å; F163-V165 HydrophobicContact CD1-CG2 3.78Å; F163-V165 HydrophobicContact CE1-CB 4.48Å; F163-V165 HydrophobicContact CE1-CG2 3Å; F163-V165 HydrophobicContact CZ-CG2 3.72Å; F163-W368 HydrophobicContact CD1-CD2 4.34Å; F163-W368 AromaticContact CD1-CE2 3.83Å; F163-W368 HydrophobicContact CD1-CH2 4.17Å; F163-W368 AromaticContact CD1-CZ2 3.79Å; F163-W368 HydrophobicContact CD1-CZ2 3.79Å; F163-W368 HydrophobicContact CE1-CD2 4.29Å; F163-W368 HydrophobicContact CE1-CE3 4.33Å; F163-W368 HydrophobicContact CE1-CH2 4.06Å; F163-W368 HydrophobicContact CE1-CZ2 4.12Å; F163-W368 HydrophobicContact CE1-CZ3 4.2Å; F163-W368 HydrophobicContact CG-CZ2 4.17Å; F163-W368 HydrophobicContact CZ-CH2 4.45Å |
| 164 | K | 81.8 | Confident | 69.6 | Low | 12 Ų | 12 | 41.7 Ų | 41.7 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128 | -175.8 | -176.4 | 179.5 | -178.7 | -178 | 0 | 110 | E101 A133 Y134 E166 E350 | E101-K164 IonicContact OE1-NZ 3.52Å; E101-K164 PolarHBondContact OE1-NZ 2.88Å; A133-K164 CarbonylContact C-O 3.47Å; A133-K164 VanDerWaalsContact CA-O 3.27Å; A133-K164 WeakPolarHBondContact CA-O 3.41Å; Y134-K164 PolarHBondContact N-O 2.84Å; Y134-K164 PolarHBondContact O-N 3.02Å; K164-E166 HydrophobicContact CD-CG 4.39Å; K164-E166 WeakPolarHBondContact CE-OE1 3.43Å; K164-E166 HydrophobicContact CG-CG 4.24Å; K164-E166 IonicContact NZ-OE1 3.98Å; K164-E166 PolarHBondContact NZ-OE1 3.31Å; K164-E350 IonicContact NZ-OE1 2.51Å |
| 165 | V | 82.3 | Confident | 71.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.9 | 173.6 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | F28 F131 A133 F163 S347 S348 L370 | F28-V165 HydrophobicContact CD1-CG2 4.02Å; F28-V165 HydrophobicContact CD2-CG1 3.94Å; F28-V165 HydrophobicContact CE1-CG2 3.95Å; F28-V165 HydrophobicContact CE2-CG1 4.15Å; F28-V165 HydrophobicContact CG-CG1 4.19Å; F28-V165 HydrophobicContact CG-CG2 4.41Å; F28-V165 HydrophobicContact CZ-CG2 4.33Å; F131-V165 HydrophobicContact CD1-CG1 4.25Å; A133-V165 HydrophobicContact CB-CG2 3.96Å; F163-V165 HydrophobicContact CD1-CG2 3.78Å; F163-V165 HydrophobicContact CE1-CB 4.48Å; F163-V165 HydrophobicContact CE1-CG2 3Å; F163-V165 HydrophobicContact CZ-CG2 3.72Å; V165-S347 WeakPolarHBondContact O-CA 3.12Å; V165-S348 PolarHBondContact N-OG 3.2Å; V165-S348 VanDerWaalsContact N-OG 3.13Å; V165-S348 PolarHBondContact O-N 2.81Å; V165-L370 HydrophobicContact CB-CD2 4.24Å; V165-L370 HydrophobicContact CG1-CD2 4.22Å |
| 166 | E | 83.3 | Confident | 73.1 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.6 | 176.9 | -65 | -177.6 | 149.6 | 0 | 0 | 111.5 | F131 W132 K164 L346 | F131-E166 WeakPolarHBondContact CA-O 3.28Å; W132-E166 HydrophobicContact CD2-CB 3.79Å; W132-E166 HydrophobicContact CE3-CB 4.49Å; W132-E166 HydrophobicContact CG-CB 4.31Å; W132-E166 HydrophobicContact CH2-CB 3.84Å; W132-E166 HydrophobicContact CZ2-CB 3.11Å; W132-E166 HydrophobicContact CZ2-CG 3.96Å; W132-E166 WeakPolarHBondContact CZ2-OE2 3.4Å; W132-E166 HydrophobicContact CZ3-CB 4.47Å; W132-E166 PolarHBondContact N-O 3.47Å; W132-E166 VanDerWaalsContact NE1-CB 3.27Å; W132-E166 PolarHBondContact NE1-OE2 2.93Å; W132-E166 PolarHBondContact O-N 3.19Å; K164-E166 HydrophobicContact CD-CG 4.39Å; K164-E166 WeakPolarHBondContact CE-OE1 3.43Å; K164-E166 HydrophobicContact CG-CG 4.24Å; K164-E166 IonicContact NZ-OE1 3.98Å; K164-E166 PolarHBondContact NZ-OE1 3.31Å; E166-L346 CarbonylContact C-O 3.31Å; E166-L346 WeakPolarHBondContact CA-O 2.62Å |
| 167 | C | 84.1 | Confident | 75 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.2 | -179.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | I129 Q130 F131 V169 I345 L346 L370 | I129-C167 WeakPolarHBondContact CG2-SG 3.33Å; Q130-C167 CarbonylContact O-C 3.53Å; Q130-C167 VanDerWaalsContact O-CA 3.3Å; Q130-C167 WeakPolarHBondContact O-CA 3.41Å; F131-C167 HydrophobicContact CD1-CB 3.65Å; F131-C167 HydrophobicContact CE1-CB 3.54Å; F131-C167 HydrophobicContact CG-CB 4.37Å; F131-C167 HydrophobicContact CZ-CB 4.13Å; C167-V169 VanDerWaalsContact SG-CG2 3.51Å; C167-I345 CarbonylContact O-C 3.58Å; C167-I345 WeakPolarHBondContact O-CA 3.3Å; C167-L346 HydrophobicContact CB-CB 4.19Å; C167-L346 PolarHBondContact N-O 3.31Å; C167-L346 PolarHBondContact O-N 2.8Å; C167-L370 HydrophobicContact CB-CD1 4.03Å |
| 168 | L | 83.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.5 | 174.1 | -178.5 | 69.5 | 0 | 0 | 0 | 110.1 | A108 I109 I112 I129 Q130 W132 F343 I345 L383 | A108-L168 HydrophobicContact CB-CB 4.44Å; A108-L168 HydrophobicContact CB-CD2 3.74Å; I109-L168 HydrophobicContact CG1-CD2 3.64Å; I112-L168 HydrophobicContact CD1-CD2 3.88Å; I112-L168 HydrophobicContact CD1-CG 4.13Å; I129-L168 WeakPolarHBondContact CA-O 2.96Å; Q130-L168 PolarHBondContact N-O 2.74Å; Q130-L168 PolarHBondContact O-N 3.35Å; W132-L168 HydrophobicContact CH2-CB 4.08Å; W132-L168 HydrophobicContact CZ3-CB 3.81Å; L168-F343 HydrophobicContact CD1-CB 4.23Å; L168-F343 HydrophobicContact CD1-CD1 4.06Å; L168-F343 HydrophobicContact CD2-CD1 4.05Å; L168-F343 HydrophobicContact CD2-CE1 4.25Å; L168-F343 HydrophobicContact CG-CD1 3.99Å; L168-I345 HydrophobicContact CD1-CG1 3.71Å; L168-L383 HydrophobicContact CD1-CD1 4Å |
| 169 | V | 79.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131 | -175.1 | 178 | 0 | 0 | 0 | 0 | 108.2 | L19 V20 I129 C167 D171 F343 T344 L346 | L19-V169 HydrophobicContact CB-CG1 3.99Å; L19-V169 HydrophobicContact CD1-CG1 4.38Å; L19-V169 HydrophobicContact CD2-CB 4.24Å; L19-V169 HydrophobicContact CD2-CG1 3.19Å; L19-V169 HydrophobicContact CD2-CG2 4.03Å; L19-V169 HydrophobicContact CG-CG1 4.06Å; V20-V169 HydrophobicContact CG2-CB 4Å; V20-V169 HydrophobicContact CG2-CG1 3.71Å; I129-V169 HydrophobicContact CG1-CG1 4.35Å; I129-V169 HydrophobicContact CG1-CG2 4.2Å; I129-V169 HydrophobicContact CG2-CG2 4.32Å; C167-V169 VanDerWaalsContact SG-CG2 3.51Å; V169-D171 HydrophobicContact CG1-CB 4.4Å; V169-F343 CarbonylContact O-C 3.46Å; V169-F343 WeakPolarHBondContact O-CA 3.37Å; V169-T344 PolarHBondContact N-O 3.48Å; V169-T344 PolarHBondContact O-N 3.41Å; V169-L346 HydrophobicContact CG2-CD1 3.91Å; V169-L346 HydrophobicContact CG2-CG 4.41Å |
| 170 | L | 78.2 | Confident | 78.5 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 109.3 | 169.3 | 179.9 | 65.4 | 0 | 0 | 0 | 109.1 | I112 Y116 C128 W261 L341 K342 F343 | I112-L170 HydrophobicContact CG2-CB 4.08Å; I112-L170 HydrophobicContact CG2-CD2 3.95Å; Y116-L170 HydrophobicContact CD2-CD2 4.34Å; Y116-L170 HydrophobicContact CE2-CD2 3.56Å; C128-L170 PolarHBondContact O-N 3.36Å; L170-W261 WeakPolarHBondContact O-CH2 3.17Å; L170-W261 WeakPolarHBondContact O-CZ2 3.2Å; L170-L341 HydrophobicContact CD1-CB 3.91Å; L170-L341 HydrophobicContact CD1-CD1 4.48Å; L170-K342 CarbonylContact C-O 3.46Å; L170-F343 HydrophobicContact CB-CD1 4.31Å; L170-F343 HydrophobicContact CB-CE1 4.01Å; L170-F343 HydrophobicContact CD1-CD1 4.03Å; L170-F343 HydrophobicContact CD1-CD2 4.16Å; L170-F343 HydrophobicContact CD1-CE1 3.74Å; L170-F343 HydrophobicContact CD1-CE2 3.9Å; L170-F343 HydrophobicContact CD1-CG 4.27Å; L170-F343 HydrophobicContact CD1-CZ 3.64Å; L170-F343 HydrophobicContact CG-CE1 4.41Å |
| 171 | D | 74 | Confident | 79 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 153.6 | -172.6 | -159.9 | 3 | 0 | 0 | 0 | 113.1 | G18 L19 V20 V169 K342 | G18-D171 WeakPolarHBondContact CA-OD1 3.49Å; L19-D171 PolarHBondContact N-OD1 2.93Å; L19-D171 PolarHBondContact N-OD2 3.38Å; V20-D171 WeakPolarHBondContact CA-OD2 3.48Å; V20-D171 HydrophobicContact CB-CB 4.45Å; V20-D171 WeakPolarHBondContact CB-OD2 3.35Å; V20-D171 HydrophobicContact CG2-CB 3.98Å; V20-D171 WeakPolarHBondContact CG2-OD2 3.17Å; V20-D171 PolarHBondContact N-OD2 3.45Å; V169-D171 HydrophobicContact CG1-CB 4.4Å; D171-K342 PolarHBondContact N-O 2.96Å; D171-K342 PolarHBondContact O-N 3.04Å |
| 172 | Y | 73.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 24 Ų | 24 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | trans | -153.1 | 152.9 | 166 | 74.4 | -79.8 | 0 | 0 | 0 | 110.1 | V174 W261 C264 L265 I268 | Y172-V174 HydrophobicContact CD2-CG2 3.25Å; Y172-V174 HydrophobicContact CE1-CG2 4.23Å; Y172-V174 HydrophobicContact CE2-CB 4.03Å; Y172-V174 HydrophobicContact CE2-CG2 2.59Å; Y172-V174 HydrophobicContact CG-CG2 4.33Å; Y172-V174 VanDerWaalsContact OH-CG2 3.28Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.27Å; Y172-W261 HydrophobicContact CD1-CD2 4.37Å; Y172-W261 AromaticContact CD1-CE2 3.24Å; Y172-W261 HydrophobicContact CD1-CH2 4.39Å; Y172-W261 AromaticContact CD1-CZ2 3.28Å; Y172-W261 HydrophobicContact CD1-CZ2 3.28Å; Y172-W261 AromaticContact CD1-NE1 3.09Å; Y172-W261 AromaticContact CE1-CD1 3.51Å; Y172-W261 AromaticContact CE1-CD2 3.71Å; Y172-W261 HydrophobicContact CE1-CD2 3.71Å; Y172-W261 AromaticContact CE1-CE2 3Å; Y172-W261 AromaticContact CE1-CG 3.97Å; Y172-W261 HydrophobicContact CE1-CG 3.97Å; Y172-W261 HydrophobicContact CE1-CH2 4.31Å; Y172-W261 AromaticContact CE1-CZ2 3.4Å; Y172-W261 HydrophobicContact CE1-CZ2 3.4Å; Y172-W261 AromaticContact CE1-NE1 2.89Å; Y172-W261 HydrophobicContact CG-CZ2 4.43Å; Y172-W261 AromaticContact CG-NE1 3.71Å; Y172-W261 AromaticContact CZ-CD1 3.64Å; Y172-W261 AromaticContact CZ-CE2 3.95Å; Y172-W261 AromaticContact CZ-NE1 3.45Å; Y172-W261 PolarHBondContact O-NE1 3.05Å; Y172-W261 PolarHBondContact OH-O 2.54Å; Y172-C264 VanDerWaalsContact OH-C 3.31Å; Y172-C264 WeakPolarHBondContact OH-CB 3.19Å; Y172-L265 HydrophobicContact CD1-CB 4.07Å; Y172-L265 HydrophobicContact CD1-CD1 3.44Å; Y172-L265 VanDerWaalsContact CD1-CD1 3.44Å; Y172-L265 HydrophobicContact CD1-CD2 4.09Å; Y172-L265 HydrophobicContact CD1-CG 4.07Å; Y172-L265 HydrophobicContact CE1-CB 3.16Å; Y172-L265 HydrophobicContact CE1-CD1 3.43Å; Y172-L265 VanDerWaalsContact CE1-CD1 3.43Å; Y172-L265 HydrophobicContact CE1-CD2 3.88Å; Y172-L265 HydrophobicContact CE1-CG 3.65Å; Y172-L265 HydrophobicContact CG-CD1 4.19Å; Y172-L265 VanDerWaalsContact OH-CA 3.3Å; Y172-L265 WeakPolarHBondContact OH-CA 3.29Å; Y172-L265 WeakPolarHBondContact OH-CB 3.24Å; Y172-L265 PolarHBondContact OH-N 3.12Å; Y172-I268 HydrophobicContact CE2-CD1 4.19Å | ||
| 173 | L | 70.5 | Confident | 79.9 | Confident | 39 Ų | 39 | 24.5 Ų | 24.5 | 20% | 0.204 | 15% | 0.146 | C | C | . | . | trans | -93.8 | 127.6 | -176.6 | -168 | 73.1 | 0 | 0 | 0 | 110.4 | V315 S317 | L173-V315 HydrophobicContact CB-CB 4.42Å; L173-V315 HydrophobicContact CD2-CB 3.66Å; L173-V315 HydrophobicContact CD2-CG1 3.78Å; L173-V315 HydrophobicContact CD2-CG2 4.04Å; L173-V315 HydrophobicContact CG-CB 4.21Å; L173-V315 HydrophobicContact CG-CG2 4.43Å; L173-V315 PolarHBondContact O-N 3.45Å; L173-S317 VanDerWaalsContact CD2-CB 3.48Å | ||
| 174 | V | 73.4 | Confident | 80.2 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.6 | 178.9 | 178 | 0 | 0 | 0 | 0 | 108.2 | S16 F17 Y172 L176 T312 | S16-V174 CarbonylContact C-O 3.58Å; S16-V174 VanDerWaalsContact CA-O 3.24Å; S16-V174 WeakPolarHBondContact CA-O 2.76Å; F17-V174 PolarHBondContact N-O 3.28Å; F17-V174 PolarHBondContact O-N 3.45Å; Y172-V174 HydrophobicContact CD2-CG2 3.25Å; Y172-V174 HydrophobicContact CE1-CG2 4.23Å; Y172-V174 HydrophobicContact CE2-CB 4.03Å; Y172-V174 HydrophobicContact CE2-CG2 2.59Å; Y172-V174 HydrophobicContact CG-CG2 4.33Å; Y172-V174 VanDerWaalsContact OH-CG2 3.28Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.27Å; V174-L176 HydrophobicContact CG1-CD2 3.96Å; V174-L176 HydrophobicContact CG1-CG 4.45Å; V174-T312 HydrophobicContact CG1-CG2 4.37Å |
| 175 | N | 72.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.6 | 173.9 | -80 | 3.3 | 0 | 0 | 0 | 109.5 | M14 F15 S16 T312 S313 V315 | M14-N175 HydrophobicContact CE-CB 4.33Å; M14-N175 VanDerWaalsContact CE-CG 3.48Å; M14-N175 WeakPolarHBondContact CE-ND2 2.79Å; M14-N175 HydrophobicContact CG-CB 4.19Å; M14-N175 HydrophobicContact SD-CB 4.36Å; M14-N175 PolarHBondContact SD-ND2 2.9Å; F15-N175 CarbonylContact O-C 3.46Å; F15-N175 WeakPolarHBondContact O-CA 3.15Å; S16-N175 WeakPolarHBondContact CB-OD1 3.31Å; S16-N175 PolarHBondContact OG-OD1 3.39Å; N175-T312 CarbonylContact O-C 3.45Å; N175-T312 WeakPolarHBondContact O-CA 3.32Å; N175-S313 WeakPolarHBondContact CA-O 3.37Å; N175-S313 WeakPolarHBondContact CB-O 3.3Å; N175-S313 WeakPolarHBondContact CB-OG 3.49Å; N175-S313 PolarHBondContact N-O 2.52Å; N175-S313 PolarHBondContact O-N 3.16Å; N175-V315 HydrophobicContact CB-CG2 3.66Å; N175-V315 WeakPolarHBondContact ND2-CG2 2.86Å; N175-V315 WeakPolarHBondContact OD1-CG2 3.2Å |
| 176 | L | 79.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.6 | 174.4 | -57.8 | 174 | 0 | 0 | 0 | 107.8 | F15 F17 V174 A255 L297 Y310 E311 T312 | F15-L176 PolarHBondContact N-O 3.47Å; F15-L176 PolarHBondContact O-N 3.49Å; F17-L176 HydrophobicContact CD1-CD1 3.75Å; F17-L176 HydrophobicContact CD1-CG 4.19Å; F17-L176 HydrophobicContact CE1-CD1 3Å; F17-L176 HydrophobicContact CE1-CD2 4.28Å; F17-L176 HydrophobicContact CE1-CG 3.53Å; F17-L176 HydrophobicContact CZ-CD1 3.9Å; V174-L176 HydrophobicContact CG1-CD2 3.96Å; V174-L176 HydrophobicContact CG1-CG 4.45Å; L176-A255 HydrophobicContact CD1-CB 4.44Å; L176-L297 HydrophobicContact CD2-CD2 3.69Å; L176-Y310 HydrophobicContact CB-CD1 3.84Å; L176-Y310 HydrophobicContact CB-CG 4.18Å; L176-E311 CarbonylContact C-O 3.51Å; L176-T312 HydrophobicContact CD2-CG2 3.22Å |
| 177 | T | 80.2 | Confident | 80.4 | Confident | 48 Ų | 48 | 27.5 Ų | 27.5 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.5 | 178.3 | -52.3 | 0 | 0 | 0 | 0 | 106.5 | I179 Y310 E311 | T177-I179 PolarHBondContact O-N 2.94Å; T177-Y310 CarbonylContact O-C 3.57Å; T177-Y310 VanDerWaalsContact O-CA 3.27Å; T177-Y310 WeakPolarHBondContact O-CA 3.45Å; T177-E311 PolarHBondContact N-O 2.72Å; T177-E311 PolarHBondContact O-N 3.42Å |
| 178 | P | 83.6 | Confident | 80.1 | Confident | 42 Ų | 42 | 30.6 Ų | 30.6 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 139.9 | 179.6 | 17.1 | -22.1 | 0 | 0 | 0 | 110.5 | Y310 | P178-Y310 HydrophobicContact CB-CD1 4.22Å; P178-Y310 HydrophobicContact CB-CE1 4.18Å |
| 179 | I | 84.1 | Confident | 80.1 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 160.1 | 177.1 | 60.9 | 169.5 | 0 | 0 | 0 | 110.6 | T177 L296 F309 E311 F413 | T177-I179 PolarHBondContact O-N 2.94Å; I179-L296 HydrophobicContact CD1-CD1 2.88Å; I179-L296 HydrophobicContact CD1-CG 4.41Å; I179-L296 HydrophobicContact CG1-CD1 4.17Å; I179-F309 HydrophobicContact CD1-CB 3.92Å; I179-F309 HydrophobicContact CG1-CB 3.49Å; I179-F309 VanDerWaalsContact CG1-CB 3.49Å; I179-F309 WeakPolarHBondContact CG1-O 3.36Å; I179-F309 PolarHBondContact N-O 2.89Å; I179-E311 HydrophobicContact CG2-CB 3.79Å; I179-F413 HydrophobicContact CB-CD2 4.47Å; I179-F413 HydrophobicContact CB-CE2 4.41Å; I179-F413 HydrophobicContact CG2-CD2 4.26Å |
| 180 | G | 80.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 30.9 Ų | 30.9 | 55% | 0.546 | 19% | 0.187 | S | C | . | . | trans | -64.9 | 159.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P182 | G180-P182 WeakPolarHBondContact O-CD 3.27Š| ||
| 181 | K | 85 | Confident | 80.5 | Confident | 121 Ų | 121 | 35 Ų | 35 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | trans | -64.5 | 110.6 | -176.3 | 179.8 | 178.9 | 178.8 | -180 | 0 | 108.9 | E194 F309 | K181-E194 IonicContact NZ-OE1 2.43Å; K181-F309 HydrophobicContact CB-CD2 4.25Å; K181-F309 HydrophobicContact CB-CE2 4.2Å; K181-F309 HydrophobicContact CG-CD2 4.19Å; K181-F309 HydrophobicContact CG-CE2 3.65Å; K181-F309 HydrophobicContact CG-CZ 4.44Å | ||
| 182 | P | 83.6 | Confident | 80.7 | Confident | 34 Ų | 34 | 35 Ų | 35 | 22% | 0.221 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 160.9 | 175 | 26.8 | -30.2 | 0 | 0 | 0 | 112.2 | G180 L184 I229 L296 F309 | G180-P182 WeakPolarHBondContact O-CD 3.27Å; P182-L184 PolarHBondContact O-N 3.37Å; P182-I229 HydrophobicContact CB-CG1 4.05Å; P182-I229 HydrophobicContact CG-CG1 4.23Å; P182-L296 HydrophobicContact CG-CD2 4.16Å; P182-F309 VanDerWaalsContact CD-CD1 3.44Å; P182-F309 VanDerWaalsContact CD-CD2 3.45Å; P182-F309 HydrophobicContact CG-CD1 3.65Å; P182-F309 HydrophobicContact CG-CD2 4.48Å; P182-F309 HydrophobicContact CG-CE1 3.61Å; P182-F309 HydrophobicContact CG-CE2 4.46Å; P182-F309 HydrophobicContact CG-CG 4.07Å; P182-F309 HydrophobicContact CG-CZ 4.06Å |
| 183 | S | 84.7 | Confident | 81 | Confident | 67 Ų | 67 | 35.1 Ų | 35.1 | 47% | 0.469 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 118.8 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | Q228 I229 | S183-Q228 CarbonylContact O-C 3.51Å; S183-Q228 VanDerWaalsContact O-CA 3.32Å; S183-Q228 WeakPolarHBondContact O-CA 3.32Å; S183-Q228 WeakPolarHBondContact OG-CG 3.41Å; S183-Q228 PolarHBondContact OG-NE2 3.25Å; S183-I229 PolarHBondContact O-N 2.92Å |
| 184 | L | 85.8 | Confident | 81.4 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -101 | 142.2 | -176.7 | -68.4 | 170.1 | 0 | 0 | 0 | 109.7 | P182 S186 V190 I229 L231 F309 | P182-L184 PolarHBondContact O-N 3.37Å; L184-S186 PolarHBondContact O-N 2.87Å; L184-V190 HydrophobicContact CD1-CG1 4.35Å; L184-I229 CarbonylContact C-O 3.55Å; L184-I229 WeakPolarHBondContact CA-O 3.39Å; L184-I229 HydrophobicContact CD2-CB 3.75Å; L184-I229 HydrophobicContact CD2-CG2 3.98Å; L184-L231 HydrophobicContact CD2-CD1 3.81Å; L184-F309 HydrophobicContact CD1-CZ 3.77Å; L184-F309 HydrophobicContact CD2-CE1 4.14Å; L184-F309 HydrophobicContact CD2-CZ 3.94Å; L184-F309 HydrophobicContact CG-CZ 4.14Å |
| 185 | V | 85.1 | Confident | 81.1 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 121.2 | 172.7 | 175.6 | 0 | 0 | 0 | 0 | 107.2 | S187 V190 T224 Q228 I229 V935 | V185-S187 PolarHBondContact O-N 2.9Å; V185-V190 WeakPolarHBondContact O-CG2 3.3Å; V185-T224 HydrophobicContact CG2-CG2 3.58Å; V185-Q228 HydrophobicContact CG2-CB 3.64Å; V185-I229 PolarHBondContact N-O 3.41Å; V185-V935 HydrophobicContact CG1-CG2 3.68Å |
| 186 | S | 82.6 | Confident | 80.1 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | trans | -63.3 | 104.8 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | L184 K191 | L184-S186 PolarHBondContact O-N 2.87Å; S186-K191 WeakPolarHBondContact OG-CE 3.27Å | ||
| 187 | S | 83.4 | Confident | 78.7 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | trans | -125.7 | 160.2 | 177 | 74 | 0 | 0 | 0 | 0 | 111.9 | V185 L189 V190 K191 Y937 | V185-S187 PolarHBondContact O-N 2.9Å; S187-L189 PolarHBondContact O-N 3.21Å; S187-L189 PolarHBondContact OG-N 3Å; S187-V190 PolarHBondContact O-N 3.08Å; S187-V190 VanDerWaalsContact O-N 3.12Å; S187-V190 VanDerWaalsContact OG-CG2 3.27Å; S187-V190 WeakPolarHBondContact OG-CG2 3.26Å; S187-V190 PolarHBondContact OG-N 3.17Å; S187-V190 VanDerWaalsContact OG-N 3.14Å; S187-K191 WeakPolarHBondContact O-CG 3.17Å; S187-K191 PolarHBondContact O-N 3.21Å; S187-Y937 WeakPolarHBondContact CB-OH 3.41Å; S187-Y937 PolarHBondContact OG-OH 3.25Å | ||
| 188 | L | 78.4 | Confident | 77.3 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.3 | -35.5 | 177.3 | -73.1 | 166.2 | 0 | 0 | 0 | 112.7 | K191 S192 Y937 M945 | L188-K191 PolarHBondContact O-N 3.07Å; L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.9Å; L188-Y937 HydrophobicContact CB-CE2 3.95Å; L188-Y937 HydrophobicContact CD1-CD2 4.38Å; L188-Y937 HydrophobicContact CD1-CE2 4.3Å; L188-Y937 HydrophobicContact CG-CE2 4.46Å; L188-M945 HydrophobicContact CB-CE 3.97Å |
| 189 | L | 84.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 178.4 | 179.4 | 61.5 | 0 | 0 | 0 | 112.1 | S187 K191 S192 L193 L231 L233 W248 Y937 M945 I950 | S187-L189 PolarHBondContact O-N 3.21Å; S187-L189 PolarHBondContact OG-N 3Å; L189-K191 VanDerWaalsContact C-N 3.28Å; L189-K191 PolarHBondContact O-N 3.39Å; L189-S192 PolarHBondContact O-N 2.86Å; L189-L193 HydrophobicContact CD1-CD1 4.23Å; L189-L193 HydrophobicContact CD1-CG 4.34Å; L189-L193 HydrophobicContact CG-CD1 4.08Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.48Å; L189-L231 HydrophobicContact CD2-CB 3.58Å; L189-L231 HydrophobicContact CG-CB 4.34Å; L189-L233 HydrophobicContact CD1-CD2 4.08Å; L189-L233 HydrophobicContact CD2-CD2 4.31Å; L189-W248 HydrophobicContact CD1-CH2 4.43Å; L189-W248 HydrophobicContact CD1-CZ2 4.41Å; L189-W248 HydrophobicContact CD2-CZ2 3.91Å; L189-Y937 PolarHBondContact N-OH 3.44Å; L189-M945 HydrophobicContact CB-CE 4.33Å; L189-I950 HydrophobicContact CD1-CG2 4.41Å |
| 190 | V | 84.3 | Confident | 73.2 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | -179 | 170.1 | 0 | 0 | 0 | 0 | 108.3 | L184 V185 S187 S192 L193 E194 L231 | L184-V190 HydrophobicContact CD1-CG1 4.35Å; V185-V190 WeakPolarHBondContact O-CG2 3.3Å; S187-V190 PolarHBondContact O-N 3.08Å; S187-V190 VanDerWaalsContact O-N 3.12Å; S187-V190 VanDerWaalsContact OG-CG2 3.27Å; S187-V190 WeakPolarHBondContact OG-CG2 3.26Å; S187-V190 PolarHBondContact OG-N 3.17Å; S187-V190 VanDerWaalsContact OG-N 3.14Å; V190-S192 PolarHBondContact O-N 3.48Å; V190-L193 PolarHBondContact O-N 3.48Å; V190-E194 HydrophobicContact CG1-CG 4.25Å; V190-E194 WeakPolarHBondContact O-CB 3.49Å; V190-E194 VanDerWaalsContact O-CG 3.27Å; V190-E194 WeakPolarHBondContact O-CG 3.46Å; V190-E194 PolarHBondContact O-N 3.31Å; V190-L231 HydrophobicContact CG2-CB 4.34Å; V190-L231 HydrophobicContact CG2-CD1 3.9Å; V190-L231 HydrophobicContact CG2-CD2 4.08Å; V190-L231 HydrophobicContact CG2-CG 4.3Å |
| 191 | K | 81.5 | Confident | 70.8 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.8 | -36.4 | -179.7 | -72.8 | 178.5 | -178.7 | 177.4 | 0 | 110.9 | S186 S187 L188 L189 L193 E194 T195 | S186-K191 WeakPolarHBondContact OG-CE 3.27Å; S187-K191 WeakPolarHBondContact O-CG 3.17Å; S187-K191 PolarHBondContact O-N 3.21Å; L188-K191 PolarHBondContact O-N 3.07Å; L189-K191 VanDerWaalsContact C-N 3.28Å; L189-K191 PolarHBondContact O-N 3.39Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-E194 PolarHBondContact O-N 3.35Å; K191-T195 WeakPolarHBondContact O-CG2 3.23Å; K191-T195 PolarHBondContact O-N 3.49Å |
| 192 | S | 78.4 | Confident | 68.3 | Low | 11 Ų | 11 | 55.1 Ų | 55.1 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | L188 L189 V190 E194 T195 F198 I950 | L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.9Å; L189-S192 PolarHBondContact O-N 2.86Å; V190-S192 PolarHBondContact O-N 3.48Å; S192-E194 VanDerWaalsContact C-N 3.27Å; S192-E194 PolarHBondContact O-N 3.32Å; S192-T195 VanDerWaalsContact C-OG1 3.29Å; S192-T195 PolarHBondContact O-N 2.8Å; S192-T195 PolarHBondContact O-OG1 2.98Å; S192-F198 WeakPolarHBondContact O-CD2 3.42Å; S192-I950 WeakPolarHBondContact OG-CG2 3.43Å; S192-I950 PolarHBondContact OG-O 2.72Å |
| 193 | L | 79.3 | Confident | 65.8 | Low | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.8 | -23 | -175.6 | -72.8 | 173.6 | 0 | 0 | 0 | 109.3 | L189 V190 K191 T195 L231 W248 Y300 | L189-L193 HydrophobicContact CD1-CD1 4.23Å; L189-L193 HydrophobicContact CD1-CG 4.34Å; L189-L193 HydrophobicContact CG-CD1 4.08Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.48Å; V190-L193 PolarHBondContact O-N 3.48Å; K191-L193 VanDerWaalsContact C-N 3.31Å; L193-T195 VanDerWaalsContact C-N 3.3Å; L193-L231 HydrophobicContact CD1-CD2 3.56Å; L193-W248 HydrophobicContact CD1-CD2 4.29Å; L193-W248 HydrophobicContact CD1-CE3 3.85Å; L193-W248 HydrophobicContact CD1-CH2 4.31Å; L193-W248 HydrophobicContact CD1-CZ3 3.89Å; L193-W248 HydrophobicContact CD2-CZ3 4.06Å; L193-Y300 HydrophobicContact CB-CD1 3.8Å; L193-Y300 HydrophobicContact CB-CE1 3.68Å; L193-Y300 HydrophobicContact CB-CG 4.29Å; L193-Y300 HydrophobicContact CD1-CD2 4.15Å; L193-Y300 HydrophobicContact CD1-CE1 4.38Å; L193-Y300 HydrophobicContact CD1-CE2 3.84Å |
| 194 | E | 78.3 | Confident | 63.4 | Low | 59 Ų | 59 | 59.8 Ų | 59.8 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 6.7 | -176.1 | -70 | 178.9 | 168.4 | 0 | 0 | 109.8 | K181 V190 K191 S192 Y300 | K181-E194 IonicContact NZ-OE1 2.43Å; V190-E194 HydrophobicContact CG1-CG 4.25Å; V190-E194 WeakPolarHBondContact O-CB 3.49Å; V190-E194 VanDerWaalsContact O-CG 3.27Å; V190-E194 WeakPolarHBondContact O-CG 3.46Å; V190-E194 PolarHBondContact O-N 3.31Å; K191-E194 PolarHBondContact O-N 3.35Å; S192-E194 VanDerWaalsContact C-N 3.27Å; S192-E194 PolarHBondContact O-N 3.32Å; E194-Y300 HydrophobicContact CG-CE1 4.12Å |
| 195 | T | 66.7 | Low | 60.6 | Low | 24 Ų | 24 | 64.8 Ų | 64.8 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -86.8 | 135.5 | 178.7 | 38.8 | 0 | 0 | 0 | 0 | 108.8 | K191 S192 L193 N197 F198 Q961 | K191-T195 WeakPolarHBondContact O-CG2 3.23Å; K191-T195 PolarHBondContact O-N 3.49Å; S192-T195 VanDerWaalsContact C-OG1 3.29Å; S192-T195 PolarHBondContact O-N 2.8Å; S192-T195 PolarHBondContact O-OG1 2.98Å; L193-T195 VanDerWaalsContact C-N 3.3Å; T195-N197 PolarHBondContact O-N 2.96Å; T195-N197 VanDerWaalsContact O-N 3.11Å; T195-F198 WeakPolarHBondContact O-CB 3.2Å; T195-F198 PolarHBondContact O-N 3.27Å; T195-F198 VanDerWaalsContact O-N 3.1Å; T195-Q961 HydrophobicContact CG2-CG 4.22Å |
| 196 | P | 52.5 | Low | 58.1 | Low | 88 Ų | 88 | 68.2 Ų | 68.2 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -58.4 | -20.7 | -175.8 | -0.7 | 1.6 | 0 | 0 | 0 | 109.4 | F198 C199 | P196-F198 PolarHBondContact O-N 3.39Å; P196-F198 VanDerWaalsContact O-N 3.08Å; P196-C199 VanDerWaalsContact O-CA 3.31Å; P196-C199 WeakPolarHBondContact O-CA 3.38Å; P196-C199 WeakPolarHBondContact O-CB 3.5Å; P196-C199 PolarHBondContact O-N 2.51Å |
| 197 | N | 49.3 | Very low | 56 | Low | 122 Ų | 122 | 69.1 Ų | 69.1 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -67.4 | -12.4 | 179.4 | -74.4 | -19 | 0 | 0 | 0 | 112.5 | T195 | T195-N197 PolarHBondContact O-N 2.96Å; T195-N197 VanDerWaalsContact O-N 3.11Å |
| 198 | F | 50.4 | Low | 53.6 | Low | 61 Ų | 61 | 74 Ų | 74 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -84 | -6.4 | 173.4 | -113.2 | -91.5 | 0 | 0 | 0 | 110.6 | S192 T195 P196 L200 | S192-F198 WeakPolarHBondContact O-CD2 3.42Å; T195-F198 WeakPolarHBondContact O-CB 3.2Å; T195-F198 PolarHBondContact O-N 3.27Å; T195-F198 VanDerWaalsContact O-N 3.1Å; P196-F198 PolarHBondContact O-N 3.39Å; P196-F198 VanDerWaalsContact O-N 3.08Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.15Å |
| 199 | C | 39 | Very low | 51.4 | Low | 34 Ų | 34 | 74.7 Ų | 74.7 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -80.2 | 71.1 | 177.4 | -100.4 | 0 | 0 | 0 | 0 | 108.7 | P196 S201 C302 | P196-C199 VanDerWaalsContact O-CA 3.31Å; P196-C199 WeakPolarHBondContact O-CA 3.38Å; P196-C199 WeakPolarHBondContact O-CB 3.5Å; P196-C199 PolarHBondContact O-N 2.51Å; C199-S201 PolarHBondContact O-N 3.25Å; C199-C302 VanDerWaalsContact CA-O 3.27Å; C199-C302 WeakPolarHBondContact CA-O 3.31Å; C199-C302 PolarHBondContact SG-O 2.88Å |
| 200 | L | 43.8 | Very low | 49 | Very low | 107 Ų | 107 | 76.2 Ų | 76.2 | 56% | 0.56 | 42% | 0.424 | S | S | * | . | trans | -30.5 | 64 | 175.4 | -75.5 | 162.2 | 0 | 0 | 0 | 109.2 | F198 E202 | F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.15Å; L200-E202 PolarHBondContact O-N 2.99Å; L200-E202 VanDerWaalsContact O-N 3.09Å | ||
| 201 | S | 30.1 | Very low | 46.8 | Very low | 114 Ų | 114 | 80.2 Ų | 80.2 | 80% | 0.797 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 40.1 | 166.2 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | C199 | C199-S201 PolarHBondContact O-N 3.25Š|
| 202 | E | 33.1 | Very low | 44.7 | Very low | 164 Ų | 164 | 84.9 Ų | 84.9 | 77% | 0.766 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.3 | 37.4 | 158.2 | -92.7 | 178 | -176.3 | 0 | 0 | 111.7 | L200 T204 | L200-E202 PolarHBondContact O-N 2.99Å; L200-E202 VanDerWaalsContact O-N 3.09Å; E202-T204 PolarHBondContact O-N 2.9Å |
| 203 | C | 31.4 | Very low | 42.9 | Very low | 68 Ų | 68 | 87.2 Ų | 87.2 | 46% | 0.459 | 49% | 0.492 | S | S | . | . | trans | -87.8 | 50.7 | 174.9 | -88.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 204 | T | 32.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 88.6 Ų | 88.6 | 80% | 0.798 | 50% | 0.502 | S | S | * | . | trans | -77.7 | 34.3 | 164.8 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | E202 | E202-T204 PolarHBondContact O-N 2.9Š| ||
| 205 | E | 28.3 | Very low | 40.6 | Very low | 132 Ų | 132 | 90.6 Ų | 90.6 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -144.8 | 98.7 | -178.6 | -79.2 | -177.7 | -177.8 | 0 | 0 | 108.9 | ||
| 206 | S | 32.3 | Very low | 40.6 | Very low | 83 Ų | 83 | 90.8 Ų | 90.8 | 58% | 0.58 | 52% | 0.516 | S | S | * | . | trans | 34.3 | 104 | 157.3 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | N208 D209 | S206-N208 PolarHBondContact O-N 3.25Å; S206-D209 PolarHBondContact O-N 2.48Å | ||
| 207 | L | 37.8 | Very low | 41.8 | Very low | 76 Ų | 76 | 87.5 Ų | 87.5 | 40% | 0.398 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -8.8 | -12 | 162.8 | -149.6 | 91.8 | 0 | 0 | 0 | 110.5 | V61 | V61-L207 HydrophobicContact CB-CD2 3.54Å; V61-L207 HydrophobicContact CG1-CD2 3.03Å; V61-L207 HydrophobicContact CG2-CD2 3.95Å |
| 208 | N | 34.5 | Very low | 43.5 | Very low | 112 Ų | 112 | 83 Ų | 83 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.6 | 176.4 | -77.4 | -13.7 | 0 | 0 | 0 | 114.1 | S206 | S206-N208 PolarHBondContact O-N 3.25Š|
| 209 | D | 31.8 | Very low | 45.2 | Very low | 78 Ų | 78 | 80.1 Ų | 80.1 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -109.2 | -3.1 | 179.8 | -95.9 | -16 | 0 | 0 | 0 | 111.8 | S206 D211 K212 | S206-D209 PolarHBondContact O-N 2.48Å; D209-D211 PolarHBondContact O-N 2.99Å; D209-K212 PolarHBondContact O-N 3.15Å |
| 210 | C | 32.8 | Very low | 47.4 | Very low | 33 Ų | 33 | 79.3 Ų | 79.3 | 22% | 0.223 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.9 | 170.3 | -89.3 | 0 | 0 | 0 | 0 | 109.9 | K212 K253 | C210-K212 VanDerWaalsContact C-N 3.28Å; C210-K253 VanDerWaalsContact SG-CE 3.57Å; C210-K253 PolarHBondContact SG-NZ 2.79Å |
| 211 | D | 38.2 | Very low | 49.4 | Very low | 89 Ų | 89 | 74.2 Ų | 74.2 | 48% | 0.476 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.5 | 177 | -94.2 | -14 | 0 | 0 | 0 | 111 | D209 G213 | D209-D211 PolarHBondContact O-N 2.99Å; D211-G213 PolarHBondContact O-N 3.42Å |
| 212 | K | 37.3 | Very low | 51.9 | Low | 187 Ų | 187 | 69.4 Ų | 69.4 | 81% | 0.813 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 67.4 | 172.2 | -79.2 | -163.6 | -178.5 | -178.9 | 0 | 107.1 | D209 C210 S214 | D209-K212 PolarHBondContact O-N 3.15Å; C210-K212 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.25Å |
| 213 | G | 41.5 | Very low | 54.2 | Low | 60 Ų | 60 | 65.2 Ų | 65.2 | 62% | 0.619 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 37.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D211 D215 | D211-G213 PolarHBondContact O-N 3.42Å; G213-D215 PolarHBondContact O-N 3.5Å |
| 214 | S | 48.3 | Very low | 56.5 | Low | 40 Ų | 40 | 63.9 Ų | 63.9 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | trans | -51.8 | 90.7 | 168.1 | 55.7 | 0 | 0 | 0 | 0 | 107.4 | K212 V216 R259 | K212-S214 PolarHBondContact O-N 3.25Å; S214-V216 PolarHBondContact O-N 2.99Å; S214-R259 PolarHBondContact OG-NH1 3.3Å | ||
| 215 | D | 60.3 | Low | 58.5 | Low | 101 Ų | 101 | 65.6 Ų | 65.6 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | trans | -41.3 | 52.1 | 177.3 | -95.7 | -11.3 | 0 | 0 | 0 | 109.6 | G213 R217 | G213-D215 PolarHBondContact O-N 3.5Å; D215-R217 WeakPolarHBondContact O-CG 3.34Å; D215-R217 PolarHBondContact O-N 3.03Å; D215-R217 VanDerWaalsContact O-N 3.14Å; D215-R217 IonicContact OD2-NH2 3.18Å | ||
| 216 | V | 68.2 | Low | 60.8 | Low | 27 Ų | 27 | 66.3 Ų | 66.3 | 16% | 0.164 | 37% | 0.368 | C | S | . | . | trans | -47.4 | 121.4 | 170.7 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | L123 S214 I249 S250 V252 | L123-V216 HydrophobicContact CD1-CB 4.49Å; L123-V216 HydrophobicContact CD1-CG1 3.68Å; S214-V216 PolarHBondContact O-N 2.99Å; V216-I249 HydrophobicContact CG1-CD1 3.72Å; V216-I249 HydrophobicContact CG1-CG1 3.71Å; V216-S250 WeakPolarHBondContact CA-O 3.38Å; V216-S250 WeakPolarHBondContact CG1-O 3.39Å; V216-V252 HydrophobicContact CG1-CG1 4.17Å; V216-V252 HydrophobicContact CG2-CG1 4.46Å | ||
| 217 | R | 77.7 | Confident | 62.9 | Low | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 156 | 177 | -62.1 | -180 | -176.5 | -178.1 | -4.7 | 110 | D215 W248 I249 S250 H948 | D215-R217 WeakPolarHBondContact O-CG 3.34Å; D215-R217 PolarHBondContact O-N 3.03Å; D215-R217 VanDerWaalsContact O-N 3.14Å; D215-R217 IonicContact OD2-NH2 3.18Å; R217-W248 HydrophobicContact CB-CH2 4.22Å; R217-W248 HydrophobicContact CB-CZ3 4.12Å; R217-I249 CarbonylContact O-C 3.52Å; R217-I249 VanDerWaalsContact O-CA 3.32Å; R217-I249 WeakPolarHBondContact O-CA 3.4Å; R217-I249 WeakPolarHBondContact O-CG1 3.18Å; R217-S250 WeakPolarHBondContact CB-OG 3.06Å; R217-S250 PolarHBondContact N-O 2.8Å; R217-S250 VanDerWaalsContact N-O 3.09Å; R217-S250 PolarHBondContact O-N 3.34Å; R217-H948 VanDerWaalsContact CZ-O 3.24Å; R217-H948 PolarHBondContact NH2-O 3.17Å |
| 218 | F | 84.4 | Confident | 65 | Low | 28 Ų | 28 | 63.3 Ų | 63.3 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 156.4 | 178.8 | 84 | -86 | 0 | 0 | 0 | 110.4 | L121 L123 Y220 A234 W248 | L121-F218 HydrophobicContact CB-CE1 4.1Å; L121-F218 HydrophobicContact CB-CZ 3.96Å; L121-F218 HydrophobicContact CD1-CE2 4.21Å; L121-F218 HydrophobicContact CD1-CZ 4.34Å; L121-F218 HydrophobicContact CD2-CD1 3.57Å; L121-F218 HydrophobicContact CD2-CD2 3.32Å; L121-F218 HydrophobicContact CD2-CE1 2.82Å; L121-F218 HydrophobicContact CD2-CE2 2.59Å; L121-F218 HydrophobicContact CD2-CG 3.86Å; L121-F218 HydrophobicContact CD2-CZ 2.47Å; L121-F218 HydrophobicContact CG-CD1 4.41Å; L121-F218 HydrophobicContact CG-CE1 3.57Å; L121-F218 HydrophobicContact CG-CE2 3.84Å; L121-F218 HydrophobicContact CG-CZ 3.52Å; L123-F218 HydrophobicContact CD1-CB 3.99Å; L123-F218 HydrophobicContact CD1-CD1 3.77Å; L123-F218 HydrophobicContact CD1-CG 4.2Å; L123-F218 HydrophobicContact CG-CD1 4.03Å; F218-Y220 HydrophobicContact CE2-CE2 4.31Å; F218-A234 HydrophobicContact CD2-CB 4.32Å; F218-A234 HydrophobicContact CE1-CB 4.07Å; F218-A234 HydrophobicContact CE2-CB 3.44Å; F218-A234 VanDerWaalsContact CE2-CB 3.44Å; F218-A234 HydrophobicContact CZ-CB 2.95Å; F218-W248 CarbonylContact C-O 3.55Å; F218-W248 VanDerWaalsContact CA-O 3.23Å; F218-W248 WeakPolarHBondContact CA-O 3.27Å |
| 219 | G | 85.2 | Confident | 67.4 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | -168.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H232 I247 W248 | G219-H232 CarbonylContact C-O 3.6Å; G219-H232 WeakPolarHBondContact CA-O 3.48Å; G219-I247 VanDerWaalsContact O-CA 3.31Å; G219-I247 WeakPolarHBondContact O-CA 3.43Å; G219-I247 WeakPolarHBondContact O-CB 3.33Å; G219-W248 VanDerWaalsContact C-NE1 3.27Å; G219-W248 VanDerWaalsContact N-CE2 3.32Å; G219-W248 PolarHBondContact N-O 2.97Å; G219-W248 PolarHBondContact O-N 3.35Å; G219-W248 VanDerWaalsContact O-N 3.08Å |
| 220 | Y | 86.5 | Confident | 70 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150.6 | -171.6 | -67.6 | -84.3 | 0 | 0 | 0 | 108.6 | F218 H232 A234 I239 P244 I247 F267 | F218-Y220 HydrophobicContact CE2-CE2 4.31Å; Y220-H232 PolarHBondContact N-O 2.9Å; Y220-H232 PolarHBondContact O-N 3.05Å; Y220-A234 HydrophobicContact CE2-CB 4.22Å; Y220-I239 HydrophobicContact CD1-CG2 4.38Å; Y220-I239 HydrophobicContact CD2-CB 4.41Å; Y220-I239 HydrophobicContact CD2-CD1 3.08Å; Y220-I239 HydrophobicContact CD2-CG1 3.95Å; Y220-I239 HydrophobicContact CD2-CG2 3.68Å; Y220-I239 HydrophobicContact CE2-CD1 3.73Å; Y220-I239 HydrophobicContact CE2-CG2 3.84Å; Y220-I239 HydrophobicContact CG-CD1 3.88Å; Y220-I239 HydrophobicContact CG-CG1 4.35Å; Y220-I239 HydrophobicContact CG-CG2 3.89Å; Y220-P244 HydrophobicContact CD1-CB 4.17Å; Y220-P244 HydrophobicContact CD1-CG 4.4Å; Y220-I247 HydrophobicContact CD1-CG2 4.19Å; Y220-I247 HydrophobicContact CE1-CG2 4.46Å; Y220-F267 AromaticContact CD1-CD2 3.78Å; Y220-F267 HydrophobicContact CD1-CD2 3.78Å; Y220-F267 AromaticContact CD1-CE2 3.91Å; Y220-F267 HydrophobicContact CD1-CE2 3.91Å; Y220-F267 AromaticContact CE1-CD2 3.76Å; Y220-F267 HydrophobicContact CE1-CD2 3.76Å; Y220-F267 HydrophobicContact CE1-CE2 4.28Å |
| 221 | L | 86.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.5 | 174.9 | -55.8 | 171.8 | 0 | 0 | 0 | 111.6 | I229 S230 L231 P244 V245 G246 I247 W248 L296 A298 | L221-I229 HydrophobicContact CB-CG2 3.93Å; L221-I229 HydrophobicContact CD2-CG2 3.84Å; L221-I229 HydrophobicContact CG-CG2 4.33Å; L221-S230 WeakPolarHBondContact CA-O 3.38Å; L221-L231 HydrophobicContact CD2-CD1 3.63Å; L221-L231 HydrophobicContact CD2-CG 3.64Å; L221-P244 CarbonylContact O-C 3.54Å; L221-P244 WeakPolarHBondContact O-CA 2.72Å; L221-V245 HydrophobicContact CB-CG2 3.98Å; L221-V245 WeakPolarHBondContact O-CG2 3.42Å; L221-V245 PolarHBondContact O-N 2.96Å; L221-G246 PolarHBondContact N-O 3.24Å; L221-G246 PolarHBondContact O-N 3.25Å; L221-I247 WeakPolarHBondContact CD1-O 3.26Å; L221-W248 HydrophobicContact CD2-CB 3.97Å; L221-W248 HydrophobicContact CD2-CG 4.3Å; L221-L296 HydrophobicContact CD1-CB 4.11Å; L221-L296 HydrophobicContact CD1-CD2 3.87Å; L221-L296 HydrophobicContact CD1-CG 3.95Å; L221-A298 HydrophobicContact CD1-CB 4.26Å |
| 222 | N | 82.7 | Confident | 75 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.7 | 176 | -84.4 | -17.6 | 0 | 0 | 0 | 109.9 | I229 S230 S242 S243 P244 | N222-I229 CarbonylContact O-C 3.49Å; N222-I229 WeakPolarHBondContact O-CA 3.47Å; N222-S230 WeakPolarHBondContact CB-OG 3.42Å; N222-S230 PolarHBondContact N-O 2.78Å; N222-S230 PolarHBondContact O-N 2.87Å; N222-S230 PolarHBondContact O-OG 3.08Å; N222-S242 WeakPolarHBondContact ND2-CB 3.31Å; N222-S242 PolarHBondContact ND2-OG 3.26Å; N222-S243 PolarHBondContact OD1-O 2.87Å; N222-P244 WeakPolarHBondContact OD1-CA 3.18Å |
| 223 | M | 80.1 | Confident | 77.2 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.1 | 178.3 | -169.4 | 166.7 | -85.1 | 0 | 0 | 108.6 | Q228 I229 V245 I416 | M223-Q228 CarbonylContact C-O 3.57Å; M223-Q228 WeakPolarHBondContact CA-O 3.42Å; M223-I229 HydrophobicContact CE-CD1 3.86Å; M223-V245 HydrophobicContact CB-CG1 3.92Å; M223-I416 HydrophobicContact CE-CD1 4.45Å |
| 224 | T | 79.1 | Confident | 78.8 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | trans | -76.7 | 166.6 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 111.1 | V185 L226 G227 Q228 | V185-T224 HydrophobicContact CG2-CG2 3.58Å; T224-L226 PolarHBondContact O-N 3.37Å; T224-L226 VanDerWaalsContact O-N 3.17Å; T224-L226 PolarHBondContact OG1-N 3.43Å; T224-G227 PolarHBondContact O-N 2.91Å; T224-Q228 HydrophobicContact CG2-CB 4.47Å; T224-Q228 PolarHBondContact N-O 2.93Å; T224-Q228 VanDerWaalsContact OG1-CB 3.29Å; T224-Q228 WeakPolarHBondContact OG1-CB 2.65Å; T224-Q228 PolarHBondContact OG1-N 3.14Å; T224-Q228 PolarHBondContact OG1-O 3.12Å | ||
| 225 | N | 75.7 | Confident | 80 | Confident | 166 Ų | 166 | 42.3 Ų | 42.3 | 89% | 0.888 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.5 | 177.4 | -66.8 | -19.1 | 0 | 0 | 0 | 110.1 | G227 | N225-G227 VanDerWaalsContact C-N 3.31Š|
| 226 | L | 77.3 | Confident | 80.5 | Confident | 147 Ų | 147 | 37.8 Ų | 37.8 | 77% | 0.77 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.4 | -179.7 | -61.9 | 171.4 | 0 | 0 | 0 | 110.8 | T224 Q228 | T224-L226 PolarHBondContact O-N 3.37Å; T224-L226 VanDerWaalsContact O-N 3.17Å; T224-L226 PolarHBondContact OG1-N 3.43Å; L226-Q228 VanDerWaalsContact C-N 3.28Å; L226-Q228 HydrophobicContact CB-CG 4.47Å |
| 227 | G | 74.5 | Confident | 80.5 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 81.8 | 13.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T224 N225 | T224-G227 PolarHBondContact O-N 2.91Å; N225-G227 VanDerWaalsContact C-N 3.31Å |
| 228 | Q | 82.7 | Confident | 80.1 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | trans | -90.9 | 157.9 | 172.8 | -66.9 | -178.8 | -32.8 | 0 | 0 | 110.9 | S183 V185 M223 T224 L226 | S183-Q228 CarbonylContact O-C 3.51Å; S183-Q228 VanDerWaalsContact O-CA 3.32Å; S183-Q228 WeakPolarHBondContact O-CA 3.32Å; S183-Q228 WeakPolarHBondContact OG-CG 3.41Å; S183-Q228 PolarHBondContact OG-NE2 3.25Å; V185-Q228 HydrophobicContact CG2-CB 3.64Å; M223-Q228 CarbonylContact C-O 3.57Å; M223-Q228 WeakPolarHBondContact CA-O 3.42Å; T224-Q228 HydrophobicContact CG2-CB 4.47Å; T224-Q228 PolarHBondContact N-O 2.93Å; T224-Q228 VanDerWaalsContact OG1-CB 3.29Å; T224-Q228 WeakPolarHBondContact OG1-CB 2.65Å; T224-Q228 PolarHBondContact OG1-N 3.14Å; T224-Q228 PolarHBondContact OG1-O 3.12Å; L226-Q228 VanDerWaalsContact C-N 3.28Å; L226-Q228 HydrophobicContact CB-CG 4.47Å | ||
| 229 | I | 85.5 | Confident | 79.3 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.2 | -177.9 | -61.9 | -64.6 | 0 | 0 | 0 | 108.4 | P182 S183 L184 V185 L221 N222 M223 L231 V245 L296 | P182-I229 HydrophobicContact CB-CG1 4.05Å; P182-I229 HydrophobicContact CG-CG1 4.23Å; S183-I229 PolarHBondContact O-N 2.92Å; L184-I229 CarbonylContact C-O 3.55Å; L184-I229 WeakPolarHBondContact CA-O 3.39Å; L184-I229 HydrophobicContact CD2-CB 3.75Å; L184-I229 HydrophobicContact CD2-CG2 3.98Å; V185-I229 PolarHBondContact N-O 3.41Å; L221-I229 HydrophobicContact CB-CG2 3.93Å; L221-I229 HydrophobicContact CD2-CG2 3.84Å; L221-I229 HydrophobicContact CG-CG2 4.33Å; N222-I229 CarbonylContact O-C 3.49Å; N222-I229 WeakPolarHBondContact O-CA 3.47Å; M223-I229 HydrophobicContact CE-CD1 3.86Å; I229-L231 HydrophobicContact CG2-CD1 4.43Å; I229-V245 HydrophobicContact CD1-CG2 4.04Å; I229-L296 HydrophobicContact CD1-CD2 4.03Å; I229-L296 HydrophobicContact CG1-CD2 4.08Å; I229-L296 HydrophobicContact CG2-CD2 4.45Å |
| 230 | S | 86.6 | Confident | 78.2 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139 | 175.7 | 64.9 | 0 | 0 | 0 | 0 | 109.8 | L221 N222 H232 | L221-S230 WeakPolarHBondContact CA-O 3.38Å; N222-S230 WeakPolarHBondContact CB-OG 3.42Å; N222-S230 PolarHBondContact N-O 2.78Å; N222-S230 PolarHBondContact O-N 2.87Å; N222-S230 PolarHBondContact O-OG 3.08Å; S230-H232 PolarHBondContact OG-CD2 3.45Å; S230-H232 PolarHBondContact OG-NE2 3.41Å |
| 231 | L | 89.4 | Confident | 77 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.9 | -179.8 | -81.8 | 61.1 | 0 | 0 | 0 | 109.5 | L184 L189 V190 L193 L221 I229 W248 Y300 | L184-L231 HydrophobicContact CD2-CD1 3.81Å; L189-L231 HydrophobicContact CD2-CB 3.58Å; L189-L231 HydrophobicContact CG-CB 4.34Å; V190-L231 HydrophobicContact CG2-CB 4.34Å; V190-L231 HydrophobicContact CG2-CD1 3.9Å; V190-L231 HydrophobicContact CG2-CD2 4.08Å; V190-L231 HydrophobicContact CG2-CG 4.3Å; L193-L231 HydrophobicContact CD1-CD2 3.56Å; L221-L231 HydrophobicContact CD2-CD1 3.63Å; L221-L231 HydrophobicContact CD2-CG 3.64Å; I229-L231 HydrophobicContact CG2-CD1 4.43Å; L231-W248 HydrophobicContact CD2-CB 4.24Å; L231-W248 HydrophobicContact CD2-CD2 4.24Å; L231-W248 HydrophobicContact CD2-CG 3.91Å; L231-W248 HydrophobicContact CG-CB 4.47Å; L231-W248 HydrophobicContact CG-CG 4.07Å; L231-Y300 HydrophobicContact CD2-CE2 3.96Å; L231-Y300 VanDerWaalsContact CD2-OH 3.29Å; L231-Y300 WeakPolarHBondContact CD2-OH 3.39Å |
| 232 | H | 84.8 | Confident | 76.1 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.2 | 179.6 | -64.7 | -94.6 | 0 | 0 | 0 | 109.7 | G219 Y220 S230 D236 I239 W248 | G219-H232 CarbonylContact C-O 3.6Å; G219-H232 WeakPolarHBondContact CA-O 3.48Å; Y220-H232 PolarHBondContact N-O 2.9Å; Y220-H232 PolarHBondContact O-N 3.05Å; S230-H232 PolarHBondContact OG-CD2 3.45Å; S230-H232 PolarHBondContact OG-NE2 3.41Å; H232-D236 HydrophobicContact CB-CB 4.31Å; H232-D236 IonicContact ND1-OD2 3.17Å; H232-D236 PolarHBondContact ND1-OD2 2.81Å; H232-I239 HydrophobicContact CB-CD1 4.1Å; H232-I239 HydrophobicContact CB-CG1 4.03Å; H232-W248 PolarHBondContact O-NE1 3.44Å |
| 233 | L | 83.7 | Confident | 75.4 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 156.5 | 175.2 | -65.4 | 170.7 | 0 | 0 | 0 | 110.4 | L189 T235 D236 I239 W248 T941 Y944 M945 I950 | L189-L233 HydrophobicContact CD1-CD2 4.08Å; L189-L233 HydrophobicContact CD2-CD2 4.31Å; L233-T235 PolarHBondContact O-N 2.84Å; L233-D236 WeakPolarHBondContact O-CB 2.77Å; L233-D236 PolarHBondContact O-N 3.48Å; L233-I239 WeakPolarHBondContact O-CD1 2.17Å; L233-W248 HydrophobicContact CD2-CH2 4.25Å; L233-W248 HydrophobicContact CD2-CZ2 3.88Å; L233-T941 HydrophobicContact CD1-CG2 3.5Å; L233-T941 VanDerWaalsContact CD1-CG2 3.5Å; L233-T941 HydrophobicContact CG-CG2 4.37Å; L233-Y944 HydrophobicContact CD1-CD1 3.18Å; L233-Y944 HydrophobicContact CD1-CE1 3.75Å; L233-Y944 HydrophobicContact CD1-CG 4.02Å; L233-Y944 HydrophobicContact CD2-CD1 4.02Å; L233-Y944 HydrophobicContact CD2-CE1 3.64Å; L233-Y944 HydrophobicContact CG-CD1 4.13Å; L233-Y944 HydrophobicContact CG-CE1 4.19Å; L233-M945 HydrophobicContact CD1-CG 3.9Å; L233-I950 HydrophobicContact CD2-CD1 4.45Å |
| 234 | A | 76.4 | Confident | 75.1 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F218 Y220 D236 | F218-A234 HydrophobicContact CD2-CB 4.32Å; F218-A234 HydrophobicContact CE1-CB 4.07Å; F218-A234 HydrophobicContact CE2-CB 3.44Å; F218-A234 VanDerWaalsContact CE2-CB 3.44Å; F218-A234 HydrophobicContact CZ-CB 2.95Å; Y220-A234 HydrophobicContact CE2-CB 4.22Å; A234-D236 PolarHBondContact O-N 2.87Å |
| 235 | T | 72.3 | Confident | 75 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -0.8 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | L233 P237 Y944 | L233-T235 PolarHBondContact O-N 2.84Å; T235-P237 WeakPolarHBondContact O-CD 3.02Å; T235-Y944 HydrophobicContact CG2-CD2 4.33Å; T235-Y944 HydrophobicContact CG2-CE2 4.22Å |
| 236 | D | 72 | Confident | 75.4 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | trans | -68 | 125.8 | -179.2 | -164.7 | -23.9 | 0 | 0 | 0 | 111.9 | H232 L233 A234 I238 I239 | H232-D236 HydrophobicContact CB-CB 4.31Å; H232-D236 IonicContact ND1-OD2 3.17Å; H232-D236 PolarHBondContact ND1-OD2 2.81Å; L233-D236 WeakPolarHBondContact O-CB 2.77Å; L233-D236 PolarHBondContact O-N 3.48Å; A234-D236 PolarHBondContact O-N 2.87Å; D236-I238 PolarHBondContact O-N 2.94Å; D236-I238 WeakPolarHBondContact OD1-CB 3.46Å; D236-I238 WeakPolarHBondContact OD1-CG1 3.48Å; D236-I238 PolarHBondContact OD1-N 3.35Å; D236-I239 HydrophobicContact CB-CD1 3.87Å; D236-I239 HydrophobicContact CB-CG1 4.01Å; D236-I239 WeakPolarHBondContact O-CB 2.85Å; D236-I239 WeakPolarHBondContact O-CG1 3.42Å; D236-I239 PolarHBondContact O-N 3.19Å; D236-I239 VanDerWaalsContact O-N 3.15Å | ||
| 237 | P | 68.6 | Low | 76 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.9 | -178.1 | 14.4 | -22.7 | 0 | 0 | 0 | 109 | T235 I239 L240 | T235-P237 WeakPolarHBondContact O-CD 3.02Å; P237-I239 PolarHBondContact O-N 3.26Å; P237-I239 VanDerWaalsContact O-N 3.15Å; P237-L240 WeakPolarHBondContact O-CB 3.05Å; P237-L240 PolarHBondContact O-N 3.31Å |
| 238 | I | 69.5 | Low | 76.7 | Confident | 75 Ų | 75 | 34.1 Ų | 34.1 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.3 | -28.3 | -177.5 | -66.9 | 170 | 0 | 0 | 0 | 110.7 | D236 L240 T241 S242 | D236-I238 PolarHBondContact O-N 2.94Å; D236-I238 WeakPolarHBondContact OD1-CB 3.46Å; D236-I238 WeakPolarHBondContact OD1-CG1 3.48Å; D236-I238 PolarHBondContact OD1-N 3.35Å; I238-L240 PolarHBondContact O-N 2.87Å; I238-T241 CarbonylContact O-C 3.54Å; I238-T241 PolarHBondContact O-N 3.18Å; I238-T241 PolarHBondContact O-OG1 2.72Å; I238-S242 WeakPolarHBondContact O-CB 3.46Å; I238-S242 PolarHBondContact O-N 3.37Å; I238-S242 PolarHBondContact O-OG 2.95Å |
| 239 | I | 66 | Low | 77 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -28.8 | -176 | -64.7 | 169 | 0 | 0 | 0 | 108.7 | Y220 H232 L233 D236 P237 T241 S242 I275 | Y220-I239 HydrophobicContact CD1-CG2 4.38Å; Y220-I239 HydrophobicContact CD2-CB 4.41Å; Y220-I239 HydrophobicContact CD2-CD1 3.08Å; Y220-I239 HydrophobicContact CD2-CG1 3.95Å; Y220-I239 HydrophobicContact CD2-CG2 3.68Å; Y220-I239 HydrophobicContact CE2-CD1 3.73Å; Y220-I239 HydrophobicContact CE2-CG2 3.84Å; Y220-I239 HydrophobicContact CG-CD1 3.88Å; Y220-I239 HydrophobicContact CG-CG1 4.35Å; Y220-I239 HydrophobicContact CG-CG2 3.89Å; H232-I239 HydrophobicContact CB-CD1 4.1Å; H232-I239 HydrophobicContact CB-CG1 4.03Å; L233-I239 WeakPolarHBondContact O-CD1 2.17Å; D236-I239 HydrophobicContact CB-CD1 3.87Å; D236-I239 HydrophobicContact CB-CG1 4.01Å; D236-I239 WeakPolarHBondContact O-CB 2.85Å; D236-I239 WeakPolarHBondContact O-CG1 3.42Å; D236-I239 PolarHBondContact O-N 3.19Å; D236-I239 VanDerWaalsContact O-N 3.15Å; P237-I239 PolarHBondContact O-N 3.26Å; P237-I239 VanDerWaalsContact O-N 3.15Å; I239-T241 PolarHBondContact O-N 2.99Å; I239-S242 VanDerWaalsContact CA-OG 3.25Å; I239-S242 WeakPolarHBondContact CA-OG 3.13Å; I239-I275 HydrophobicContact CG2-CD1 4.49Å |
| 240 | L | 62.1 | Low | 77 | Confident | 87 Ų | 87 | 31 Ų | 31 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.1 | -26.4 | 178.8 | -64.2 | 171.4 | 0 | 0 | 0 | 111 | P237 I238 | P237-L240 WeakPolarHBondContact O-CB 3.05Å; P237-L240 PolarHBondContact O-N 3.31Å; I238-L240 PolarHBondContact O-N 2.87Å |
| 241 | T | 61.9 | Low | 76.3 | Confident | 104 Ų | 104 | 30.7 Ų | 30.7 | 64% | 0.638 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -107.3 | -9.9 | -177.8 | 57.8 | 0 | 0 | 0 | 0 | 110 | I238 I239 | I238-T241 CarbonylContact O-C 3.54Å; I238-T241 PolarHBondContact O-N 3.18Å; I238-T241 PolarHBondContact O-OG1 2.72Å; I239-T241 PolarHBondContact O-N 2.99Å |
| 242 | S | 66.3 | Low | 75.7 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -101.4 | 160.4 | -175 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | N222 I238 I239 P244 I275 | N222-S242 WeakPolarHBondContact ND2-CB 3.31Å; N222-S242 PolarHBondContact ND2-OG 3.26Å; I238-S242 WeakPolarHBondContact O-CB 3.46Å; I238-S242 PolarHBondContact O-N 3.37Å; I238-S242 PolarHBondContact O-OG 2.95Å; I239-S242 VanDerWaalsContact CA-OG 3.25Å; I239-S242 WeakPolarHBondContact CA-OG 3.13Å; S242-P244 WeakPolarHBondContact O-CD 2.85Å; S242-I275 WeakPolarHBondContact O-CG2 3.43Å |
| 243 | S | 68.1 | Low | 74.9 | Confident | 72 Ų | 72 | 34 Ų | 34 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | trans | -98 | 86.8 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 108.2 | N222 | N222-S243 PolarHBondContact OD1-O 2.87Š| ||
| 244 | P | 75.4 | Confident | 74.2 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | trans | -59.5 | 141.4 | -179.3 | 23.5 | -29.2 | 0 | 0 | 0 | 112.4 | Y220 L221 N222 S242 F267 I275 | Y220-P244 HydrophobicContact CD1-CB 4.17Å; Y220-P244 HydrophobicContact CD1-CG 4.4Å; L221-P244 CarbonylContact O-C 3.54Å; L221-P244 WeakPolarHBondContact O-CA 2.72Å; N222-P244 WeakPolarHBondContact OD1-CA 3.18Å; S242-P244 WeakPolarHBondContact O-CD 2.85Å; P244-F267 HydrophobicContact CB-CE2 3.8Å; P244-F267 HydrophobicContact CB-CZ 4.3Å; P244-F267 HydrophobicContact CG-CE2 3.83Å; P244-F267 HydrophobicContact CG-CZ 4.33Å; P244-I275 HydrophobicContact CG-CD1 3.27Å | ||
| 245 | V | 77 | Confident | 73.8 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 24% | 0.242 | 22% | 0.218 | C | C | . | . | trans | -99.9 | -7.1 | -178.7 | -67.8 | 0 | 0 | 0 | 0 | 109.1 | L221 M223 I229 L296 | L221-V245 HydrophobicContact CB-CG2 3.98Å; L221-V245 WeakPolarHBondContact O-CG2 3.42Å; L221-V245 PolarHBondContact O-N 2.96Å; M223-V245 HydrophobicContact CB-CG1 3.92Å; I229-V245 HydrophobicContact CD1-CG2 4.04Å; V245-L296 PolarHBondContact O-N 3.46Å | ||
| 246 | G | 83.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | -163.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | L221 M295 L296 | L221-G246 PolarHBondContact N-O 3.24Å; L221-G246 PolarHBondContact O-N 3.25Å; G246-M295 VanDerWaalsContact CA-CG 3.4Å; G246-L296 CarbonylContact C-O 3.09Å; G246-L296 WeakPolarHBondContact CA-O 3.31Å |
| 247 | I | 89.1 | Confident | 73.4 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155.7 | -176.7 | 58.7 | 171.9 | 0 | 0 | 0 | 109.4 | G219 Y220 L221 A263 F267 M295 L296 L297 A298 | G219-I247 VanDerWaalsContact O-CA 3.31Å; G219-I247 WeakPolarHBondContact O-CA 3.43Å; G219-I247 WeakPolarHBondContact O-CB 3.33Å; Y220-I247 HydrophobicContact CD1-CG2 4.19Å; Y220-I247 HydrophobicContact CE1-CG2 4.46Å; L221-I247 WeakPolarHBondContact CD1-O 3.26Å; I247-A263 HydrophobicContact CD1-CB 3.56Å; I247-F267 HydrophobicContact CG2-CB 3.75Å; I247-F267 HydrophobicContact CG2-CD2 3.44Å; I247-F267 VanDerWaalsContact CG2-CD2 3.44Å; I247-F267 HydrophobicContact CG2-CE2 4.19Å; I247-F267 HydrophobicContact CG2-CG 3.75Å; I247-M295 HydrophobicContact CB-CE 4.33Å; I247-M295 HydrophobicContact CD1-CE 3.39Å; I247-M295 HydrophobicContact CG1-CE 3.2Å; I247-M295 HydrophobicContact CG1-SD 4.15Å; I247-M295 HydrophobicContact CG2-CE 4.37Å; I247-M295 HydrophobicContact CG2-SD 4.3Å; I247-L296 PolarHBondContact N-O 3.47Å; I247-L297 HydrophobicContact CD1-CD1 3.72Å; I247-L297 HydrophobicContact CG1-CD1 3.45Å; I247-L297 VanDerWaalsContact CG1-CD1 3.45Å; I247-L297 WeakPolarHBondContact O-CA 3.48Å; I247-A298 PolarHBondContact O-N 2.88Å |
| 248 | W | 90 | Very high | 73.6 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146 | 167.7 | 60.6 | -91.9 | 0 | 0 | 0 | 109.4 | L189 L193 R217 F218 G219 L221 L231 H232 L233 A298 Y300 | L189-W248 HydrophobicContact CD1-CH2 4.43Å; L189-W248 HydrophobicContact CD1-CZ2 4.41Å; L189-W248 HydrophobicContact CD2-CZ2 3.91Å; L193-W248 HydrophobicContact CD1-CD2 4.29Å; L193-W248 HydrophobicContact CD1-CE3 3.85Å; L193-W248 HydrophobicContact CD1-CH2 4.31Å; L193-W248 HydrophobicContact CD1-CZ3 3.89Å; L193-W248 HydrophobicContact CD2-CZ3 4.06Å; R217-W248 HydrophobicContact CB-CH2 4.22Å; R217-W248 HydrophobicContact CB-CZ3 4.12Å; F218-W248 CarbonylContact C-O 3.55Å; F218-W248 VanDerWaalsContact CA-O 3.23Å; F218-W248 WeakPolarHBondContact CA-O 3.27Å; G219-W248 VanDerWaalsContact C-NE1 3.27Å; G219-W248 VanDerWaalsContact N-CE2 3.32Å; G219-W248 PolarHBondContact N-O 2.97Å; G219-W248 PolarHBondContact O-N 3.35Å; G219-W248 VanDerWaalsContact O-N 3.08Å; L221-W248 HydrophobicContact CD2-CB 3.97Å; L221-W248 HydrophobicContact CD2-CG 4.3Å; L231-W248 HydrophobicContact CD2-CB 4.24Å; L231-W248 HydrophobicContact CD2-CD2 4.24Å; L231-W248 HydrophobicContact CD2-CG 3.91Å; L231-W248 HydrophobicContact CG-CB 4.47Å; L231-W248 HydrophobicContact CG-CG 4.07Å; H232-W248 PolarHBondContact O-NE1 3.44Å; L233-W248 HydrophobicContact CD2-CH2 4.25Å; L233-W248 HydrophobicContact CD2-CZ2 3.88Å; W248-A298 CarbonylContact C-O 3.48Å; W248-A298 WeakPolarHBondContact CA-O 2.73Å; W248-A298 HydrophobicContact CB-CB 3.87Å; W248-Y300 HydrophobicContact CB-CE2 4.18Å |
| 249 | I | 88 | Confident | 73.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.6 | 179.9 | -172.2 | 165.2 | 0 | 0 | 0 | 110.7 | L123 V216 R217 V252 R259 I260 L297 A298 V299 Y300 | L123-I249 HydrophobicContact CD1-CD1 4.45Å; V216-I249 HydrophobicContact CG1-CD1 3.72Å; V216-I249 HydrophobicContact CG1-CG1 3.71Å; R217-I249 CarbonylContact O-C 3.52Å; R217-I249 VanDerWaalsContact O-CA 3.32Å; R217-I249 WeakPolarHBondContact O-CA 3.4Å; R217-I249 WeakPolarHBondContact O-CG1 3.18Å; I249-V252 HydrophobicContact CD1-CG1 3.96Å; I249-V252 HydrophobicContact CG1-CG1 4.09Å; I249-V252 HydrophobicContact CG2-CG2 4.43Å; I249-R259 HydrophobicContact CD1-CB 4.3Å; I249-I260 HydrophobicContact CD1-CG1 4Å; I249-I260 HydrophobicContact CG2-CD1 4.45Å; I249-I260 HydrophobicContact CG2-CG1 3.95Å; I249-L297 HydrophobicContact CG2-CD1 4.41Å; I249-A298 PolarHBondContact N-O 3.37Å; I249-V299 HydrophobicContact CG2-CB 4.44Å; I249-V299 HydrophobicContact CG2-CG1 4.29Å; I249-V299 HydrophobicContact CG2-CG2 4.14Å; I249-Y300 PolarHBondContact O-N 3.37Å |
| 250 | S | 85.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.3 | 178.3 | 72.3 | 0 | 0 | 0 | 0 | 113 | V216 R217 Y300 | V216-S250 WeakPolarHBondContact CA-O 3.38Å; V216-S250 WeakPolarHBondContact CG1-O 3.39Å; R217-S250 WeakPolarHBondContact CB-OG 3.06Å; R217-S250 PolarHBondContact N-O 2.8Å; R217-S250 VanDerWaalsContact N-O 3.09Å; R217-S250 PolarHBondContact O-N 3.34Å; S250-Y300 WeakPolarHBondContact CA-O 3.35Å |
| 251 | G | 73.7 | Confident | 75.3 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 12% | 0.124 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.4 | 20 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y300 C302 | G251-Y300 PolarHBondContact N-O 3.38Å; G251-C302 VanDerWaalsContact CA-SG 3.51Å; G251-C302 PolarHBondContact O-SG 2.84Å; G251-C302 VanDerWaalsContact O-SG 3.4Å |
| 252 | V | 75.2 | Confident | 76 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142 | 179.2 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | V216 I249 D257 I260 V299 Q301 C302 | V216-V252 HydrophobicContact CG1-CG1 4.17Å; V216-V252 HydrophobicContact CG2-CG1 4.46Å; I249-V252 HydrophobicContact CD1-CG1 3.96Å; I249-V252 HydrophobicContact CG1-CG1 4.09Å; I249-V252 HydrophobicContact CG2-CG2 4.43Å; V252-D257 HydrophobicContact CB-CB 4.12Å; V252-D257 HydrophobicContact CG1-CB 4.15Å; V252-I260 HydrophobicContact CG1-CG1 4.38Å; V252-I260 HydrophobicContact CG2-CD1 4.13Å; V252-V299 HydrophobicContact CG2-CG1 3.47Å; V252-V299 VanDerWaalsContact CG2-CG1 3.47Å; V252-Q301 CarbonylContact O-C 3.39Å; V252-Q301 WeakPolarHBondContact O-CA 3.34Å; V252-C302 PolarHBondContact O-N 2.63Å |
| 253 | K | 69.4 | Low | 76.6 | Confident | 93 Ų | 93 | 23.8 Ų | 23.8 | 40% | 0.404 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -78 | -42.2 | -176.7 | -77.2 | -169.7 | -179.1 | -178.9 | 0 | 110.2 | C210 | C210-K253 VanDerWaalsContact SG-CE 3.57Å; C210-K253 PolarHBondContact SG-NZ 2.79Å |
| 254 | E | 69.5 | Low | 77.2 | Confident | 101 Ų | 101 | 20.5 Ų | 20.5 | 47% | 0.472 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -133.7 | 156.7 | -177.3 | -66.2 | -178.3 | -179.1 | 0 | 0 | 112 | V63 C256 D257 | V63-E254 WeakPolarHBondContact CG2-OE2 3.47Å; E254-C256 PolarHBondContact O-N 2.89Å; E254-D257 WeakPolarHBondContact O-CB 3.37Å; E254-D257 PolarHBondContact O-N 3.36Å |
| 255 | A | 67.6 | Low | 77.2 | Confident | 14 Ų | 14 | 20 Ų | 20 | 12% | 0.116 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109 | L176 D257 I260 Y310 | L176-A255 HydrophobicContact CD1-CB 4.44Å; A255-D257 VanDerWaalsContact C-N 3.25Å; A255-D257 PolarHBondContact O-N 3.24Å; A255-I260 WeakPolarHBondContact O-CD1 3.47Å; A255-Y310 HydrophobicContact CB-CE2 4.11Å |
| 256 | C | 65.3 | Low | 77.1 | Confident | 41 Ų | 41 | 19.2 Ų | 19.2 | 28% | 0.277 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 16.8 | -178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | V63 E254 F258 | V63-C256 HydrophobicContact CB-CB 4.28Å; V63-C256 HydrophobicContact CG1-CB 2.78Å; V63-C256 WeakPolarHBondContact CG1-O 3.26Å; E254-C256 PolarHBondContact O-N 2.89Å; C256-F258 PolarHBondContact O-N 2.47Å |
| 257 | D | 70.8 | Confident | 76.7 | Confident | 23 Ų | 23 | 20 Ų | 20 | 12% | 0.123 | 10% | 0.1 | C | C | . | . | trans | -62.8 | 130 | 174.3 | -165.2 | -49.9 | 0 | 0 | 0 | 110.7 | V252 E254 A255 R259 I260 | V252-D257 HydrophobicContact CB-CB 4.12Å; V252-D257 HydrophobicContact CG1-CB 4.15Å; E254-D257 WeakPolarHBondContact O-CB 3.37Å; E254-D257 PolarHBondContact O-N 3.36Å; A255-D257 VanDerWaalsContact C-N 3.25Å; A255-D257 PolarHBondContact O-N 3.24Å; D257-R259 VanDerWaalsContact CG-NE 3.32Å; D257-R259 PolarHBondContact O-N 2.53Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 WeakPolarHBondContact OD1-CB 2.59Å; D257-R259 WeakPolarHBondContact OD1-CG 3.46Å; D257-R259 IonicContact OD1-CZ 3.99Å; D257-R259 PolarHBondContact OD1-N 2.89Å; D257-R259 IonicContact OD1-NE 3.37Å; D257-R259 PolarHBondContact OD1-NE 3.26Å; D257-R259 IonicContact OD1-NH2 3.45Å; D257-R259 IonicContact OD2-CZ 3.19Å; D257-R259 VanDerWaalsContact OD2-CZ 3.25Å; D257-R259 IonicContact OD2-NE 3.81Å; D257-R259 PolarHBondContact OD2-NE 3.35Å; D257-R259 IonicContact OD2-NH2 3.6Å; D257-R259 PolarHBondContact OD2-NH2 2.94Å; D257-I260 HydrophobicContact CB-CD1 4.12Å; D257-I260 HydrophobicContact CB-CG1 4.18Å; D257-I260 VanDerWaalsContact O-CB 3.25Å; D257-I260 WeakPolarHBondContact O-CB 3.5Å; D257-I260 PolarHBondContact O-N 3Å | ||
| 258 | F | 71.9 | Confident | 75.8 | Confident | 25 Ų | 25 | 20.9 Ų | 20.9 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.3 | -33 | -174.9 | 179.2 | -97.2 | 0 | 0 | 0 | 110.9 | L19 F60 I125 C256 I260 W261 K262 | L19-F258 HydrophobicContact CB-CD2 4.33Å; L19-F258 HydrophobicContact CB-CE2 4.18Å; L19-F258 HydrophobicContact CD1-CD2 3.24Å; L19-F258 HydrophobicContact CD1-CE1 3.96Å; L19-F258 HydrophobicContact CD1-CE2 3.12Å; L19-F258 HydrophobicContact CD1-CG 4.21Å; L19-F258 HydrophobicContact CD1-CZ 2.95Å; L19-F258 HydrophobicContact CG-CD2 3.81Å; L19-F258 HydrophobicContact CG-CE2 3.85Å; L19-F258 HydrophobicContact CG-CZ 3.95Å; F60-F258 HydrophobicContact CE1-CB 4.05Å; F60-F258 HydrophobicContact CE1-CD1 4.42Å; F60-F258 HydrophobicContact CE1-CG 4.41Å; I125-F258 HydrophobicContact CB-CD1 3.89Å; I125-F258 HydrophobicContact CB-CE1 3.33Å; I125-F258 HydrophobicContact CB-CZ 4.05Å; I125-F258 HydrophobicContact CD1-CD1 3.09Å; I125-F258 HydrophobicContact CD1-CD2 3.77Å; I125-F258 HydrophobicContact CD1-CE1 2.65Å; I125-F258 HydrophobicContact CD1-CE2 3.81Å; I125-F258 HydrophobicContact CD1-CG 3.63Å; I125-F258 HydrophobicContact CD1-CZ 2.8Å; I125-F258 HydrophobicContact CG1-CD1 3.55Å; I125-F258 HydrophobicContact CG1-CE1 2.66Å; I125-F258 HydrophobicContact CG1-CE2 4.34Å; I125-F258 HydrophobicContact CG1-CG 4.49Å; I125-F258 HydrophobicContact CG1-CZ 2.91Å; C256-F258 PolarHBondContact O-N 2.47Å; F258-I260 PolarHBondContact O-N 2.69Å; F258-W261 HydrophobicContact CD1-CE3 4.35Å; F258-W261 HydrophobicContact CD2-CD2 4.48Å; F258-W261 AromaticContact CD2-CE3 3.93Å; F258-W261 HydrophobicContact CD2-CE3 3.93Å; F258-W261 AromaticContact CE1-CE3 3.76Å; F258-W261 HydrophobicContact CE1-CE3 3.76Å; F258-W261 AromaticContact CE1-CZ3 3.84Å; F258-W261 HydrophobicContact CE1-CZ3 3.84Å; F258-W261 HydrophobicContact CE2-CB 4.14Å; F258-W261 AromaticContact CE2-CD2 3.43Å; F258-W261 HydrophobicContact CE2-CD2 3.43Å; F258-W261 VanDerWaalsContact CE2-CD2 3.43Å; F258-W261 AromaticContact CE2-CE3 2.64Å; F258-W261 HydrophobicContact CE2-CE3 2.64Å; F258-W261 HydrophobicContact CE2-CG 4.07Å; F258-W261 HydrophobicContact CE2-CH2 4.15Å; F258-W261 AromaticContact CE2-CZ3 3.17Å; F258-W261 HydrophobicContact CE2-CZ3 3.17Å; F258-W261 HydrophobicContact CG-CE3 4.4Å; F258-W261 HydrophobicContact CZ-CD2 4.26Å; F258-W261 AromaticContact CZ-CE3 3.1Å; F258-W261 HydrophobicContact CZ-CE3 3.1Å; F258-W261 HydrophobicContact CZ-CH2 4Å; F258-W261 AromaticContact CZ-CZ3 2.98Å; F258-W261 HydrophobicContact CZ-CZ3 2.98Å; F258-W261 VanDerWaalsContact O-CB 3.26Å; F258-W261 WeakPolarHBondContact O-CB 3.47Å; F258-W261 PolarHBondContact O-N 2.98Å; F258-W261 VanDerWaalsContact O-N 3.11Å; F258-K262 HydrophobicContact CE1-CB 4.43Å; F258-K262 PolarHBondContact O-N 2.84Å |
| 259 | R | 75.8 | Confident | 74.7 | Confident | 51 Ų | 51 | 22 Ų | 22 | 19% | 0.192 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61 | -32.5 | 178.9 | -67.8 | 172.2 | -74.9 | -169.2 | 4.9 | 111.1 | S214 I249 D257 W261 K262 A263 | S214-R259 PolarHBondContact OG-NH1 3.3Å; I249-R259 HydrophobicContact CD1-CB 4.3Å; D257-R259 VanDerWaalsContact CG-NE 3.32Å; D257-R259 PolarHBondContact O-N 2.53Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 WeakPolarHBondContact OD1-CB 2.59Å; D257-R259 WeakPolarHBondContact OD1-CG 3.46Å; D257-R259 IonicContact OD1-CZ 3.99Å; D257-R259 PolarHBondContact OD1-N 2.89Å; D257-R259 IonicContact OD1-NE 3.37Å; D257-R259 PolarHBondContact OD1-NE 3.26Å; D257-R259 IonicContact OD1-NH2 3.45Å; D257-R259 IonicContact OD2-CZ 3.19Å; D257-R259 VanDerWaalsContact OD2-CZ 3.25Å; D257-R259 IonicContact OD2-NE 3.81Å; D257-R259 PolarHBondContact OD2-NE 3.35Å; D257-R259 IonicContact OD2-NH2 3.6Å; D257-R259 PolarHBondContact OD2-NH2 2.94Å; R259-W261 VanDerWaalsContact C-N 3.35Å; R259-K262 PolarHBondContact O-N 3.38Å; R259-A263 WeakPolarHBondContact O-CB 3.23Å; R259-A263 PolarHBondContact O-N 2.7Å |
| 260 | I | 79.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 174.1 | -64.1 | 174.2 | 0 | 0 | 0 | 110 | F17 I249 V252 A255 D257 F258 K262 A263 C264 L297 V299 | F17-I260 HydrophobicContact CZ-CB 4.36Å; F17-I260 HydrophobicContact CZ-CG2 4.11Å; I249-I260 HydrophobicContact CD1-CG1 4Å; I249-I260 HydrophobicContact CG2-CD1 4.45Å; I249-I260 HydrophobicContact CG2-CG1 3.95Å; V252-I260 HydrophobicContact CG1-CG1 4.38Å; V252-I260 HydrophobicContact CG2-CD1 4.13Å; A255-I260 WeakPolarHBondContact O-CD1 3.47Å; D257-I260 HydrophobicContact CB-CD1 4.12Å; D257-I260 HydrophobicContact CB-CG1 4.18Å; D257-I260 VanDerWaalsContact O-CB 3.25Å; D257-I260 WeakPolarHBondContact O-CB 3.5Å; D257-I260 PolarHBondContact O-N 3Å; F258-I260 PolarHBondContact O-N 2.69Å; I260-K262 PolarHBondContact O-N 2.82Å; I260-A263 PolarHBondContact O-N 3.3Å; I260-C264 PolarHBondContact O-N 2.96Å; I260-C264 PolarHBondContact O-SG 3.15Å; I260-L297 HydrophobicContact CG2-CD1 4.35Å; I260-L297 HydrophobicContact CG2-CD2 3.48Å; I260-L297 VanDerWaalsContact CG2-CD2 3.48Å; I260-V299 HydrophobicContact CD1-CG1 4.26Å; I260-V299 HydrophobicContact CD1-CG2 4.32Å |
| 261 | W | 78.1 | Confident | 72 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.1 | -44.9 | 177.3 | 172.3 | 85.8 | 0 | 0 | 0 | 110.7 | F17 C128 L170 Y172 F258 R259 A263 C264 L265 | F17-W261 HydrophobicContact CD2-CB 4.11Å; F17-W261 HydrophobicContact CE2-CB 3.28Å; F17-W261 HydrophobicContact CE2-CG 4.17Å; F17-W261 HydrophobicContact CZ-CB 4.04Å; C128-W261 HydrophobicContact CB-CH2 4.12Å; C128-W261 HydrophobicContact CB-CZ3 4.1Å; L170-W261 WeakPolarHBondContact O-CH2 3.17Å; L170-W261 WeakPolarHBondContact O-CZ2 3.2Å; Y172-W261 HydrophobicContact CD1-CD2 4.37Å; Y172-W261 AromaticContact CD1-CE2 3.24Å; Y172-W261 HydrophobicContact CD1-CH2 4.39Å; Y172-W261 AromaticContact CD1-CZ2 3.28Å; Y172-W261 HydrophobicContact CD1-CZ2 3.28Å; Y172-W261 AromaticContact CD1-NE1 3.09Å; Y172-W261 AromaticContact CE1-CD1 3.51Å; Y172-W261 AromaticContact CE1-CD2 3.71Å; Y172-W261 HydrophobicContact CE1-CD2 3.71Å; Y172-W261 AromaticContact CE1-CE2 3Å; Y172-W261 AromaticContact CE1-CG 3.97Å; Y172-W261 HydrophobicContact CE1-CG 3.97Å; Y172-W261 HydrophobicContact CE1-CH2 4.31Å; Y172-W261 AromaticContact CE1-CZ2 3.4Å; Y172-W261 HydrophobicContact CE1-CZ2 3.4Å; Y172-W261 AromaticContact CE1-NE1 2.89Å; Y172-W261 HydrophobicContact CG-CZ2 4.43Å; Y172-W261 AromaticContact CG-NE1 3.71Å; Y172-W261 AromaticContact CZ-CD1 3.64Å; Y172-W261 AromaticContact CZ-CE2 3.95Å; Y172-W261 AromaticContact CZ-NE1 3.45Å; Y172-W261 PolarHBondContact O-NE1 3.05Å; Y172-W261 PolarHBondContact OH-O 2.54Å; F258-W261 HydrophobicContact CD1-CE3 4.35Å; F258-W261 HydrophobicContact CD2-CD2 4.48Å; F258-W261 AromaticContact CD2-CE3 3.93Å; F258-W261 HydrophobicContact CD2-CE3 3.93Å; F258-W261 AromaticContact CE1-CE3 3.76Å; F258-W261 HydrophobicContact CE1-CE3 3.76Å; F258-W261 AromaticContact CE1-CZ3 3.84Å; F258-W261 HydrophobicContact CE1-CZ3 3.84Å; F258-W261 HydrophobicContact CE2-CB 4.14Å; F258-W261 AromaticContact CE2-CD2 3.43Å; F258-W261 HydrophobicContact CE2-CD2 3.43Å; F258-W261 VanDerWaalsContact CE2-CD2 3.43Å; F258-W261 AromaticContact CE2-CE3 2.64Å; F258-W261 HydrophobicContact CE2-CE3 2.64Å; F258-W261 HydrophobicContact CE2-CG 4.07Å; F258-W261 HydrophobicContact CE2-CH2 4.15Å; F258-W261 AromaticContact CE2-CZ3 3.17Å; F258-W261 HydrophobicContact CE2-CZ3 3.17Å; F258-W261 HydrophobicContact CG-CE3 4.4Å; F258-W261 HydrophobicContact CZ-CD2 4.26Å; F258-W261 AromaticContact CZ-CE3 3.1Å; F258-W261 HydrophobicContact CZ-CE3 3.1Å; F258-W261 HydrophobicContact CZ-CH2 4Å; F258-W261 AromaticContact CZ-CZ3 2.98Å; F258-W261 HydrophobicContact CZ-CZ3 2.98Å; F258-W261 VanDerWaalsContact O-CB 3.26Å; F258-W261 WeakPolarHBondContact O-CB 3.47Å; F258-W261 PolarHBondContact O-N 2.98Å; F258-W261 VanDerWaalsContact O-N 3.11Å; R259-W261 VanDerWaalsContact C-N 3.35Å; W261-A263 VanDerWaalsContact C-N 3.34Å; W261-A263 PolarHBondContact O-N 3.43Å; W261-C264 PolarHBondContact O-N 2.99Å; W261-L265 HydrophobicContact CH2-CD2 3.91Å; W261-L265 HydrophobicContact CZ2-CD2 4.16Å; W261-L265 HydrophobicContact CZ3-CD2 4.37Å; W261-L265 PolarHBondContact O-N 3.36Å |
| 262 | K | 77.9 | Confident | 70.8 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.3 | -41.6 | -177.7 | -179.4 | 174.6 | -177.2 | -161.2 | 0 | 110.3 | S122 L123 D124 F258 R259 I260 C264 L265 H266 | S122-K262 WeakPolarHBondContact O-CE 3.08Å; S122-K262 PolarHBondContact O-NZ 3.29Å; L123-K262 VanDerWaalsContact C-CE 3.48Å; L123-K262 VanDerWaalsContact CA-NZ 3.28Å; L123-K262 VanDerWaalsContact O-CD 3.26Å; L123-K262 WeakPolarHBondContact O-CD 3.3Å; L123-K262 PolarHBondContact O-NZ 3.25Å; D124-K262 VanDerWaalsContact O-CE 3.23Å; D124-K262 WeakPolarHBondContact O-CE 3.44Å; D124-K262 PolarHBondContact O-NZ 3.24Å; F258-K262 HydrophobicContact CE1-CB 4.43Å; F258-K262 PolarHBondContact O-N 2.84Å; R259-K262 PolarHBondContact O-N 3.38Å; I260-K262 PolarHBondContact O-N 2.82Å; K262-C264 PolarHBondContact O-N 3.21Å; K262-L265 WeakPolarHBondContact O-CB 3.43Å; K262-L265 PolarHBondContact O-N 3.44Å; K262-H266 WeakPolarHBondContact O-CB 3.35Å; K262-H266 PolarHBondContact O-N 3.31Å |
| 263 | A | 79.2 | Confident | 69.2 | Low | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L123 I247 R259 I260 W261 L265 H266 F267 | L123-A263 HydrophobicContact CD2-CB 3.71Å; I247-A263 HydrophobicContact CD1-CB 3.56Å; R259-A263 WeakPolarHBondContact O-CB 3.23Å; R259-A263 PolarHBondContact O-N 2.7Å; I260-A263 PolarHBondContact O-N 3.3Å; W261-A263 VanDerWaalsContact C-N 3.34Å; W261-A263 PolarHBondContact O-N 3.43Å; A263-L265 VanDerWaalsContact C-N 3.33Å; A263-H266 WeakPolarHBondContact O-CB 3.03Å; A263-H266 PolarHBondContact O-N 3.24Å; A263-F267 PolarHBondContact O-N 3Å |
| 264 | C | 79.5 | Confident | 67.7 | Low | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.5 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | Y172 I260 W261 K262 H266 F267 I268 M295 | Y172-C264 VanDerWaalsContact OH-C 3.31Å; Y172-C264 WeakPolarHBondContact OH-CB 3.19Å; I260-C264 PolarHBondContact O-N 2.96Å; I260-C264 PolarHBondContact O-SG 3.15Å; W261-C264 PolarHBondContact O-N 2.99Å; K262-C264 PolarHBondContact O-N 3.21Å; C264-H266 PolarHBondContact O-N 2.67Å; C264-F267 PolarHBondContact O-N 2.89Å; C264-I268 WeakPolarHBondContact O-CD1 3.44Å; C264-I268 WeakPolarHBondContact O-CG1 3.25Å; C264-I268 PolarHBondContact O-N 3.23Å; C264-M295 HydrophobicContact CB-CE 4.19Å; C264-M295 VanDerWaalsContact SG-CE 3.53Å |
| 265 | L | 76 | Confident | 66.2 | Low | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 179.7 | -179 | 59.6 | 0 | 0 | 0 | 109.6 | Y116 Y172 W261 K262 A263 I268 L269 L341 | Y116-L265 HydrophobicContact CE1-CD2 3.79Å; Y116-L265 HydrophobicContact CE1-CG 4.07Å; Y116-L265 VanDerWaalsContact CZ-CD2 3.42Å; Y116-L265 WeakPolarHBondContact OH-CD2 3.18Å; Y172-L265 HydrophobicContact CD1-CB 4.07Å; Y172-L265 HydrophobicContact CD1-CD1 3.44Å; Y172-L265 VanDerWaalsContact CD1-CD1 3.44Å; Y172-L265 HydrophobicContact CD1-CD2 4.09Å; Y172-L265 HydrophobicContact CD1-CG 4.07Å; Y172-L265 HydrophobicContact CE1-CB 3.16Å; Y172-L265 HydrophobicContact CE1-CD1 3.43Å; Y172-L265 VanDerWaalsContact CE1-CD1 3.43Å; Y172-L265 HydrophobicContact CE1-CD2 3.88Å; Y172-L265 HydrophobicContact CE1-CG 3.65Å; Y172-L265 HydrophobicContact CG-CD1 4.19Å; Y172-L265 VanDerWaalsContact OH-CA 3.3Å; Y172-L265 WeakPolarHBondContact OH-CA 3.29Å; Y172-L265 WeakPolarHBondContact OH-CB 3.24Å; Y172-L265 PolarHBondContact OH-N 3.12Å; W261-L265 HydrophobicContact CH2-CD2 3.91Å; W261-L265 HydrophobicContact CZ2-CD2 4.16Å; W261-L265 HydrophobicContact CZ3-CD2 4.37Å; W261-L265 PolarHBondContact O-N 3.36Å; K262-L265 WeakPolarHBondContact O-CB 3.43Å; K262-L265 PolarHBondContact O-N 3.44Å; A263-L265 VanDerWaalsContact C-N 3.33Å; L265-I268 PolarHBondContact O-N 2.43Å; L265-L269 HydrophobicContact CD1-CD1 4.14Å; L265-L269 HydrophobicContact CD1-CG 4.31Å; L265-L269 HydrophobicContact CD2-CD1 4.5Å; L265-L269 HydrophobicContact CG-CD1 3.9Å; L265-L269 HydrophobicContact CG-CG 4.44Å; L265-L269 VanDerWaalsContact O-CG 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.44Å; L265-L269 PolarHBondContact O-N 3.06Å; L265-L341 HydrophobicContact CD1-CD2 3.92Å |
| 266 | H | 74.7 | Confident | 64.5 | Low | 22 Ų | 22 | 28 Ų | 28 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 179.4 | -175.4 | 80 | 0 | 0 | 0 | 111.4 | L121 K262 A263 C264 I268 L269 I270 | L121-H266 VanDerWaalsContact CB-NE2 3.31Å; L121-H266 WeakPolarHBondContact CB-NE2 2.78Å; L121-H266 HydrophobicContact CD1-CB 3.61Å; L121-H266 WeakPolarHBondContact CD1-CD2 3.28Å; L121-H266 WeakPolarHBondContact CD1-CE1 2.91Å; L121-H266 WeakPolarHBondContact CD1-ND1 3.47Å; L121-H266 WeakPolarHBondContact CD1-NE2 3.18Å; L121-H266 WeakPolarHBondContact CD2-NE2 2.72Å; L121-H266 WeakPolarHBondContact CG-NE2 3.18Å; K262-H266 WeakPolarHBondContact O-CB 3.35Å; K262-H266 PolarHBondContact O-N 3.31Å; A263-H266 WeakPolarHBondContact O-CB 3.03Å; A263-H266 PolarHBondContact O-N 3.24Å; C264-H266 PolarHBondContact O-N 2.67Å; H266-I268 PolarHBondContact O-N 3.04Å; H266-L269 CarbonylContact O-C 3.51Å; H266-L269 PolarHBondContact O-N 3.49Å; H266-I270 WeakPolarHBondContact CD2-CD1 3.29Å; H266-I270 WeakPolarHBondContact CE1-CD1 3.15Å; H266-I270 VanDerWaalsContact CE1-CG1 3.46Å; H266-I270 WeakPolarHBondContact CE1-CG1 3.37Å; H266-I270 WeakPolarHBondContact ND1-CD1 3.26Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.47Å; H266-I270 WeakPolarHBondContact O-CB 3.24Å; H266-I270 WeakPolarHBondContact O-CG1 3.37Å; H266-I270 PolarHBondContact O-N 2.82Å |
| 267 | F | 75.1 | Confident | 62.9 | Low | 16 Ų | 16 | 33.7 Ų | 33.7 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -38.1 | -179.7 | -179.6 | -100.2 | 0 | 0 | 0 | 110.9 | Y220 P244 I247 A263 C264 L269 N271 M295 | Y220-F267 AromaticContact CD1-CD2 3.78Å; Y220-F267 HydrophobicContact CD1-CD2 3.78Å; Y220-F267 AromaticContact CD1-CE2 3.91Å; Y220-F267 HydrophobicContact CD1-CE2 3.91Å; Y220-F267 AromaticContact CE1-CD2 3.76Å; Y220-F267 HydrophobicContact CE1-CD2 3.76Å; Y220-F267 HydrophobicContact CE1-CE2 4.28Å; P244-F267 HydrophobicContact CB-CE2 3.8Å; P244-F267 HydrophobicContact CB-CZ 4.3Å; P244-F267 HydrophobicContact CG-CE2 3.83Å; P244-F267 HydrophobicContact CG-CZ 4.33Å; I247-F267 HydrophobicContact CG2-CB 3.75Å; I247-F267 HydrophobicContact CG2-CD2 3.44Å; I247-F267 VanDerWaalsContact CG2-CD2 3.44Å; I247-F267 HydrophobicContact CG2-CE2 4.19Å; I247-F267 HydrophobicContact CG2-CG 3.75Å; A263-F267 PolarHBondContact O-N 3Å; C264-F267 PolarHBondContact O-N 2.89Å; F267-L269 VanDerWaalsContact C-N 3.27Å; F267-L269 PolarHBondContact O-N 3.35Å; F267-N271 WeakPolarHBondContact CZ-ND2 3.04Å; F267-N271 WeakPolarHBondContact O-CB 3.35Å; F267-N271 PolarHBondContact O-N 2.78Å; F267-N271 VanDerWaalsContact O-N 3.17Å; F267-M295 HydrophobicContact CB-SD 3.8Å; F267-M295 HydrophobicContact CD1-CB 4.45Å; F267-M295 HydrophobicContact CD1-CE 4.44Å; F267-M295 HydrophobicContact CD1-CG 3.86Å; F267-M295 HydrophobicContact CD1-SD 2.85Å; F267-M295 WeakPolarHBondContact CD1-SD 3.29Å; F267-M295 HydrophobicContact CD2-SD 4.23Å; F267-M295 HydrophobicContact CE1-CB 4.24Å; F267-M295 HydrophobicContact CE1-CG 3.7Å; F267-M295 HydrophobicContact CE1-SD 3.35Å; F267-M295 WeakPolarHBondContact CE1-SD 3.28Å; F267-M295 HydrophobicContact CG-SD 3.38Å; F267-M295 WeakPolarHBondContact CG-SD 3.5Å; F267-M295 HydrophobicContact CZ-CG 4.36Å; F267-M295 HydrophobicContact CZ-SD 4.17Å |
| 268 | I | 71.1 | Confident | 60.9 | Low | 24 Ų | 24 | 39.1 Ų | 39.1 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.3 | -32.8 | -178.3 | -67.9 | 165.1 | 0 | 0 | 0 | 109.9 | Y172 C264 L265 H266 I314 L339 | Y172-I268 HydrophobicContact CE2-CD1 4.19Å; C264-I268 WeakPolarHBondContact O-CD1 3.44Å; C264-I268 WeakPolarHBondContact O-CG1 3.25Å; C264-I268 PolarHBondContact O-N 3.23Å; L265-I268 PolarHBondContact O-N 2.43Å; H266-I268 PolarHBondContact O-N 3.04Å; I268-I314 HydrophobicContact CD1-CD1 3.04Å; I268-I314 HydrophobicContact CD1-CG1 3.65Å; I268-I314 HydrophobicContact CG1-CD1 3.93Å; I268-I314 HydrophobicContact CG2-CD1 4.21Å; I268-L339 HydrophobicContact CG2-CD1 4.08Å; I268-L339 HydrophobicContact CG2-CD2 3.6Å; I268-L339 HydrophobicContact CG2-CG 4.43Å |
| 269 | L | 66 | Low | 58.9 | Low | 26 Ų | 26 | 41.1 Ų | 41.1 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -87.4 | -30.9 | -175 | -71.7 | 174.5 | 0 | 0 | 0 | 110.2 | Y116 L265 H266 F267 L331 | Y116-L269 HydrophobicContact CD1-CD1 3.08Å; Y116-L269 HydrophobicContact CD1-CG 4.48Å; Y116-L269 HydrophobicContact CD2-CD1 4.3Å; Y116-L269 HydrophobicContact CE1-CD1 3.27Å; Y116-L269 HydrophobicContact CE2-CD1 4.46Å; Y116-L269 HydrophobicContact CG-CD1 3.63Å; L265-L269 HydrophobicContact CD1-CD1 4.14Å; L265-L269 HydrophobicContact CD1-CG 4.31Å; L265-L269 HydrophobicContact CD2-CD1 4.5Å; L265-L269 HydrophobicContact CG-CD1 3.9Å; L265-L269 HydrophobicContact CG-CG 4.44Å; L265-L269 VanDerWaalsContact O-CG 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.44Å; L265-L269 PolarHBondContact O-N 3.06Å; H266-L269 CarbonylContact O-C 3.51Å; H266-L269 PolarHBondContact O-N 3.49Å; F267-L269 VanDerWaalsContact C-N 3.27Å; F267-L269 PolarHBondContact O-N 3.35Å; L269-L331 HydrophobicContact CD2-CD2 3.93Å |
| 270 | I | 63.4 | Low | 56.7 | Low | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.179 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -88.1 | -39.7 | -173.5 | -70.1 | -169 | 0 | 0 | 0 | 109.5 | H266 E272 T273 Q274 | H266-I270 WeakPolarHBondContact CD2-CD1 3.29Å; H266-I270 WeakPolarHBondContact CE1-CD1 3.15Å; H266-I270 VanDerWaalsContact CE1-CG1 3.46Å; H266-I270 WeakPolarHBondContact CE1-CG1 3.37Å; H266-I270 WeakPolarHBondContact ND1-CD1 3.26Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.47Å; H266-I270 WeakPolarHBondContact O-CB 3.24Å; H266-I270 WeakPolarHBondContact O-CG1 3.37Å; H266-I270 PolarHBondContact O-N 2.82Å; I270-E272 PolarHBondContact O-N 3.39Å; I270-T273 PolarHBondContact O-N 3.31Å; I270-T273 PolarHBondContact O-OG1 3.5Å; I270-Q274 HydrophobicContact CG2-CB 4.46Å; I270-Q274 PolarHBondContact O-N 2.57Å |
| 271 | N | 53.5 | Low | 54.4 | Low | 37 Ų | 37 | 52 Ų | 52 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -6.6 | 179.3 | -144.4 | 3.3 | 0 | 0 | 0 | 113.5 | F267 I275 | F267-N271 WeakPolarHBondContact CZ-ND2 3.04Å; F267-N271 WeakPolarHBondContact O-CB 3.35Å; F267-N271 PolarHBondContact O-N 2.78Å; F267-N271 VanDerWaalsContact O-N 3.17Å; N271-I275 WeakPolarHBondContact OD1-CD1 3.47Å |
| 272 | E | 48.5 | Very low | 52 | Low | 24 Ų | 24 | 59.5 Ų | 59.5 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -18.3 | -178.3 | -88.2 | -157.3 | 150.9 | 0 | 0 | 110.5 | I270 R333 F335 | I270-E272 PolarHBondContact O-N 3.39Å; E272-R333 VanDerWaalsContact CD-O 3.31Å; E272-R333 WeakPolarHBondContact OE2-CB 3.34Å; E272-R333 VanDerWaalsContact OE2-O 3.1Å; E272-F335 HydrophobicContact CG-CE2 4.07Å; E272-F335 HydrophobicContact CG-CZ 3.78Å; E272-F335 WeakPolarHBondContact OE1-CD2 2.92Å; E272-F335 WeakPolarHBondContact OE1-CE2 3.49Å; E272-F335 WeakPolarHBondContact OE1-CZ 2.89Å |
| 273 | T | 40.7 | Very low | 49.7 | Very low | 39 Ų | 39 | 69 Ų | 69 | 24% | 0.239 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -16.5 | -173.7 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | I270 | I270-T273 PolarHBondContact O-N 3.31Å; I270-T273 PolarHBondContact O-OG1 3.5Å |
| 274 | Q | 38.8 | Very low | 47.3 | Very low | 114 Ų | 114 | 75.1 Ų | 75.1 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -12.1 | -171.3 | -73.5 | -137.4 | 2.2 | 0 | 0 | 108.8 | I270 | I270-Q274 HydrophobicContact CG2-CB 4.46Å; I270-Q274 PolarHBondContact O-N 2.57Å |
| 275 | I | 37.4 | Very low | 44.7 | Very low | 12 Ų | 12 | 77.7 Ų | 77.7 | 6% | 0.062 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -112.5 | 6.9 | -176.7 | -59.2 | 176.3 | 0 | 0 | 0 | 111.6 | I239 S242 P244 N271 | I239-I275 HydrophobicContact CG2-CD1 4.49Å; S242-I275 WeakPolarHBondContact O-CG2 3.43Å; P244-I275 HydrophobicContact CG-CD1 3.27Å; N271-I275 WeakPolarHBondContact OD1-CD1 3.47Å |
| 276 | N | 32.4 | Very low | 42.4 | Very low | 84 Ų | 84 | 88.7 Ų | 88.7 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -117.7 | 4.5 | 178.7 | -88.9 | -20.9 | 0 | 0 | 0 | 110.9 | L278 | N276-L278 PolarHBondContact O-N 3.06Š|
| 277 | R | 31.2 | Very low | 40.3 | Very low | 162 Ų | 162 | 95.2 Ų | 95.2 | 61% | 0.611 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -98.7 | 8.6 | -178.7 | -81.1 | -170.4 | 180 | 176.5 | -7.5 | 108.8 | R647 | R277-R647 VanDerWaalsContact CZ-NE 3.35Å; R277-R647 VanDerWaalsContact NE-NH2 3.15Å |
| 278 | L | 28.2 | Very low | 38 | Very low | 136 Ų | 136 | 100 Ų | 100 | 71% | 0.712 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -122.2 | 10.4 | 173.5 | -100.5 | 135.4 | 0 | 0 | 0 | 110.7 | N276 | N276-L278 PolarHBondContact O-N 3.06Š|
| 279 | V | 31.1 | Very low | 36.1 | Very low | 67 Ų | 67 | 102.6 Ų | 102.6 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | trans | -125.6 | 36.3 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 280 | K | 29.6 | Very low | 34.3 | Very low | 202 Ų | 202 | 104.4 Ų | 104.4 | 88% | 0.878 | 53% | 0.529 | S | S | * | . | trans | -74.8 | 38 | 161.9 | -96.4 | -175.9 | -178.2 | 179.9 | 0 | 108.2 | ||||
| 281 | S | 29.4 | Very low | 33 | Very low | 78 Ų | 78 | 106.3 Ų | 106.3 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -156.6 | 73.3 | 170.9 | 85.8 | 0 | 0 | 0 | 0 | 108.9 | Y283 | S281-Y283 PolarHBondContact O-N 2.93Š|
| 282 | D | 28.1 | Very low | 32.8 | Very low | 157 Ų | 157 | 105.5 Ų | 105.5 | 84% | 0.84 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 111.5 | 22.5 | 140.7 | -73.4 | -18.8 | 0 | 0 | 0 | 111 | ||
| 283 | Y | 29.8 | Very low | 32.8 | Very low | 207 Ų | 207 | 108 Ų | 108 | 81% | 0.812 | 55% | 0.552 | S | S | * | * | trans | -129.6 | 37.4 | 169.2 | -91.7 | -87.3 | 0 | 0 | 0 | 111.1 | S281 G285 | S281-Y283 PolarHBondContact O-N 2.93Å; Y283-G285 PolarHBondContact O-N 3.36Å | ||
| 284 | L | 28.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 106.7 Ų | 106.7 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 30.9 | -178.1 | -133.5 | 92.6 | 0 | 0 | 0 | 110.1 | N288 | L284-N288 PolarHBondContact O-ND2 3.3Š|
| 285 | G | 25.1 | Very low | 35.8 | Very low | 57 Ų | 57 | 101.9 Ų | 101.9 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 15.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y283 | Y283-G285 PolarHBondContact O-N 3.36Š|
| 286 | Y | 28.4 | Very low | 38.1 | Very low | 230 Ų | 230 | 102 Ų | 102 | 90% | 0.902 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -137.8 | 13.6 | 177.8 | -92.9 | -84.3 | 0 | 0 | 0 | 111.2 | ||
| 287 | M | 30.7 | Very low | 40.8 | Very low | 160 Ų | 160 | 98 Ų | 98 | 79% | 0.788 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -132.3 | 24.4 | 169.9 | -76.4 | -84 | -173.3 | 0 | 0 | 109.1 | S289 | M287-S289 PolarHBondContact O-N 2.91Š|
| 288 | N | 26.3 | Very low | 43.5 | Very low | 117 Ų | 117 | 90.3 Ų | 90.3 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | trans | -93.7 | 37.9 | 170.2 | -87.8 | -11.2 | 0 | 0 | 0 | 109.2 | L284 | L284-N288 PolarHBondContact O-ND2 3.3Š| ||
| 289 | S | 29.8 | Very low | 46.4 | Very low | 78 Ų | 78 | 83.8 Ų | 83.8 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | trans | -116.5 | 91.8 | 165.3 | 102.9 | 0 | 0 | 0 | 0 | 109.1 | M287 K291 | M287-S289 PolarHBondContact O-N 2.91Å; S289-K291 PolarHBondContact O-N 2.88Å | ||
| 290 | T | 29.1 | Very low | 49.1 | Very low | 64 Ų | 64 | 81 Ų | 81 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | 40.1 | 62.2 | 112.5 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | K336 | T290-K336 HydrophobicContact CG2-CD 3.02Å; T290-K336 HydrophobicContact CG2-CG 4.46Å | |||
| 291 | K | 36.6 | Very low | 51.4 | Low | 74 Ų | 74 | 72 Ų | 72 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 164.2 | 102.2 | 161 | -86.3 | -178.7 | -176.2 | -177.1 | 0 | 111.8 | S289 S293 A408 P410 | S289-K291 PolarHBondContact O-N 2.88Å; K291-S293 WeakPolarHBondContact O-CA 3.37Å; K291-S293 PolarHBondContact O-N 3.45Å; K291-S293 PolarHBondContact O-OG 2.99Å; K291-A408 WeakPolarHBondContact CD-O 3.22Å; K291-A408 WeakPolarHBondContact CE-O 3.31Å; K291-A408 PolarHBondContact NZ-O 3.43Å; K291-P410 HydrophobicContact CB-CG 3.57Å; K291-P410 HydrophobicContact CD-CB 4.13Å; K291-P410 HydrophobicContact CD-CG 2.77Å; K291-P410 HydrophobicContact CG-CG 3.56Å |
| 292 | N | 48.3 | Very low | 53.4 | Low | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.112 | 36% | 0.361 | C | S | . | . | trans | 9.4 | 73.1 | 163.8 | -82.3 | -7.7 | 0 | 0 | 0 | 110.4 | P294 H316 | N292-P294 WeakPolarHBondContact O-CD 3.08Å; N292-H316 PolarHBondContact ND2-CE1 2.87Å | ||
| 293 | S | 50 | Low | 55.3 | Low | 77 Ų | 77 | 67.2 Ų | 67.2 | 54% | 0.538 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 116.2 | -176 | -59.2 | 0 | 0 | 0 | 0 | 106 | K291 M295 | K291-S293 WeakPolarHBondContact O-CA 3.37Å; K291-S293 PolarHBondContact O-N 3.45Å; K291-S293 PolarHBondContact O-OG 2.99Å; S293-M295 PolarHBondContact O-N 3.38Å |
| 294 | P | 63.2 | Low | 57.2 | Low | 10 Ų | 10 | 59.1 Ų | 59.1 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -48.1 | 130.9 | 176.9 | 13.2 | -20.3 | 0 | 0 | 0 | 110.2 | N292 E311 T312 L412 | N292-P294 WeakPolarHBondContact O-CD 3.08Å; P294-E311 HydrophobicContact CB-CB 4.5Å; P294-E311 HydrophobicContact CB-CG 3.03Å; P294-E311 WeakPolarHBondContact CB-OE1 3.26Å; P294-E311 HydrophobicContact CG-CG 4.1Å; P294-E311 WeakPolarHBondContact CG-OE1 3.32Å; P294-T312 CarbonylContact C-O 3.32Å; P294-T312 WeakPolarHBondContact CA-O 3.47Å; P294-L412 HydrophobicContact CB-CB 3.88Å; P294-L412 HydrophobicContact CB-CD1 4.25Å; P294-L412 HydrophobicContact CB-CG 4.49Å; P294-L412 HydrophobicContact CG-CB 2.88Å; P294-L412 HydrophobicContact CG-CD1 3.23Å; P294-L412 HydrophobicContact CG-CD2 4.36Å; P294-L412 HydrophobicContact CG-CG 3.53Å; P294-L412 VanDerWaalsContact O-CD1 3.27Å; P294-L412 WeakPolarHBondContact O-CD1 3.49Å |
| 295 | M | 78.8 | Confident | 59 | Low | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.069 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 145.3 | 174.3 | 171.5 | -174.9 | 98.6 | 0 | 0 | 110.4 | G246 I247 C264 F267 S293 E311 T312 | G246-M295 VanDerWaalsContact CA-CG 3.4Å; I247-M295 HydrophobicContact CB-CE 4.33Å; I247-M295 HydrophobicContact CD1-CE 3.39Å; I247-M295 HydrophobicContact CG1-CE 3.2Å; I247-M295 HydrophobicContact CG1-SD 4.15Å; I247-M295 HydrophobicContact CG2-CE 4.37Å; I247-M295 HydrophobicContact CG2-SD 4.3Å; C264-M295 HydrophobicContact CB-CE 4.19Å; C264-M295 VanDerWaalsContact SG-CE 3.53Å; F267-M295 HydrophobicContact CB-SD 3.8Å; F267-M295 HydrophobicContact CD1-CB 4.45Å; F267-M295 HydrophobicContact CD1-CE 4.44Å; F267-M295 HydrophobicContact CD1-CG 3.86Å; F267-M295 HydrophobicContact CD1-SD 2.85Å; F267-M295 WeakPolarHBondContact CD1-SD 3.29Å; F267-M295 HydrophobicContact CD2-SD 4.23Å; F267-M295 HydrophobicContact CE1-CB 4.24Å; F267-M295 HydrophobicContact CE1-CG 3.7Å; F267-M295 HydrophobicContact CE1-SD 3.35Å; F267-M295 WeakPolarHBondContact CE1-SD 3.28Å; F267-M295 HydrophobicContact CG-SD 3.38Å; F267-M295 WeakPolarHBondContact CG-SD 3.5Å; F267-M295 HydrophobicContact CZ-CG 4.36Å; F267-M295 HydrophobicContact CZ-SD 4.17Å; S293-M295 PolarHBondContact O-N 3.38Å; M295-E311 CarbonylContact O-C 3.58Å; M295-T312 WeakPolarHBondContact CA-OG1 3.23Å; M295-T312 WeakPolarHBondContact CB-OG1 2.71Å; M295-T312 HydrophobicContact CE-CG2 4.26Å; M295-T312 PolarHBondContact N-O 2.88Å; M295-T312 PolarHBondContact N-OG1 3.29Å; M295-T312 PolarHBondContact O-N 2.96Å; M295-T312 PolarHBondContact O-OG1 2.9Å |
| 296 | L | 84.9 | Confident | 61.6 | Low | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.1 | 176 | -172 | 69.3 | 0 | 0 | 0 | 111.2 | I179 P182 L221 I229 V245 G246 I247 F309 Y310 | I179-L296 HydrophobicContact CD1-CD1 2.88Å; I179-L296 HydrophobicContact CD1-CG 4.41Å; I179-L296 HydrophobicContact CG1-CD1 4.17Å; P182-L296 HydrophobicContact CG-CD2 4.16Å; L221-L296 HydrophobicContact CD1-CB 4.11Å; L221-L296 HydrophobicContact CD1-CD2 3.87Å; L221-L296 HydrophobicContact CD1-CG 3.95Å; I229-L296 HydrophobicContact CD1-CD2 4.03Å; I229-L296 HydrophobicContact CG1-CD2 4.08Å; I229-L296 HydrophobicContact CG2-CD2 4.45Å; V245-L296 PolarHBondContact O-N 3.46Å; G246-L296 CarbonylContact C-O 3.09Å; G246-L296 WeakPolarHBondContact CA-O 3.31Å; I247-L296 PolarHBondContact N-O 3.47Å; L296-F309 HydrophobicContact CD1-CD1 4.48Å; L296-F309 HydrophobicContact CD2-CD1 4.4Å; L296-F309 HydrophobicContact CG-CD1 4.43Å; L296-Y310 CarbonylContact C-O 3.5Å |
| 297 | L | 88.7 | Confident | 64.3 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.5 | -179.8 | 174.7 | 64.7 | 0 | 0 | 0 | 108.5 | L176 I247 I249 I260 V299 F309 Y310 T312 | L176-L297 HydrophobicContact CD2-CD2 3.69Å; I247-L297 HydrophobicContact CD1-CD1 3.72Å; I247-L297 HydrophobicContact CG1-CD1 3.45Å; I247-L297 VanDerWaalsContact CG1-CD1 3.45Å; I247-L297 WeakPolarHBondContact O-CA 3.48Å; I249-L297 HydrophobicContact CG2-CD1 4.41Å; I260-L297 HydrophobicContact CG2-CD1 4.35Å; I260-L297 HydrophobicContact CG2-CD2 3.48Å; I260-L297 VanDerWaalsContact CG2-CD2 3.48Å; L297-V299 HydrophobicContact CD1-CG2 4.24Å; L297-V299 HydrophobicContact CD2-CG2 3.7Å; L297-V299 HydrophobicContact CG-CG2 3.64Å; L297-F309 CarbonylContact O-C 3.54Å; L297-F309 WeakPolarHBondContact O-CA 3.45Å; L297-Y310 HydrophobicContact CD2-CD2 4.28Å; L297-Y310 PolarHBondContact N-O 3.41Å; L297-Y310 PolarHBondContact O-N 3.28Å; L297-T312 HydrophobicContact CB-CG2 3.71Å; L297-T312 HydrophobicContact CD2-CG2 4.11Å |
| 298 | A | 89.5 | Confident | 67 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L221 I247 W248 I249 Y300 R308 F309 | L221-A298 HydrophobicContact CD1-CB 4.26Å; I247-A298 PolarHBondContact O-N 2.88Å; W248-A298 CarbonylContact C-O 3.48Å; W248-A298 WeakPolarHBondContact CA-O 2.73Å; W248-A298 HydrophobicContact CB-CB 3.87Å; I249-A298 PolarHBondContact N-O 3.37Å; A298-Y300 HydrophobicContact CB-CE2 4.13Å; A298-R308 CarbonylContact C-O 3.4Å; A298-R308 WeakPolarHBondContact CA-O 3.02Å; A298-F309 HydrophobicContact CB-CD1 3.82Å; A298-F309 HydrophobicContact CB-CE1 3.54Å; A298-F309 HydrophobicContact CB-CZ 4.24Å |
| 299 | V | 89 | Confident | 70 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.8 | -173.5 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | I249 V252 I260 L297 Q301 P307 R308 Y310 | I249-V299 HydrophobicContact CG2-CB 4.44Å; I249-V299 HydrophobicContact CG2-CG1 4.29Å; I249-V299 HydrophobicContact CG2-CG2 4.14Å; V252-V299 HydrophobicContact CG2-CG1 3.47Å; V252-V299 VanDerWaalsContact CG2-CG1 3.47Å; I260-V299 HydrophobicContact CD1-CG1 4.26Å; I260-V299 HydrophobicContact CD1-CG2 4.32Å; L297-V299 HydrophobicContact CD1-CG2 4.24Å; L297-V299 HydrophobicContact CD2-CG2 3.7Å; L297-V299 HydrophobicContact CG-CG2 3.64Å; V299-Q301 HydrophobicContact CG1-CG 3.92Å; V299-P307 CarbonylContact O-C 3.45Å; V299-P307 WeakPolarHBondContact O-CA 3.04Å; V299-R308 PolarHBondContact N-O 2.94Å; V299-R308 PolarHBondContact O-N 3.15Å; V299-Y310 HydrophobicContact CB-CE2 4.19Å; V299-Y310 HydrophobicContact CG2-CD2 3.78Å; V299-Y310 HydrophobicContact CG2-CE2 3.81Å |
| 300 | Y | 86 | Confident | 72.7 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 101.6 | 175.2 | -70.5 | -91.6 | 0 | 0 | 0 | 108.1 | L193 E194 L231 W248 I249 S250 G251 A298 P307 | L193-Y300 HydrophobicContact CB-CD1 3.8Å; L193-Y300 HydrophobicContact CB-CE1 3.68Å; L193-Y300 HydrophobicContact CB-CG 4.29Å; L193-Y300 HydrophobicContact CD1-CD2 4.15Å; L193-Y300 HydrophobicContact CD1-CE1 4.38Å; L193-Y300 HydrophobicContact CD1-CE2 3.84Å; E194-Y300 HydrophobicContact CG-CE1 4.12Å; L231-Y300 HydrophobicContact CD2-CE2 3.96Å; L231-Y300 VanDerWaalsContact CD2-OH 3.29Å; L231-Y300 WeakPolarHBondContact CD2-OH 3.39Å; W248-Y300 HydrophobicContact CB-CE2 4.18Å; I249-Y300 PolarHBondContact O-N 3.37Å; S250-Y300 WeakPolarHBondContact CA-O 3.35Å; G251-Y300 PolarHBondContact N-O 3.38Å; A298-Y300 HydrophobicContact CB-CE2 4.13Å; Y300-P307 HydrophobicContact CD1-CB 3.66Å; Y300-P307 HydrophobicContact CD1-CG 4.3Å; Y300-P307 HydrophobicContact CD2-CB 4.38Å; Y300-P307 HydrophobicContact CE1-CB 3.39Å; Y300-P307 HydrophobicContact CE1-CG 3.67Å; Y300-P307 HydrophobicContact CE2-CB 4.1Å; Y300-P307 HydrophobicContact CG-CB 4.15Å |
| 301 | Q | 79.2 | Confident | 75.2 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 157.1 | -174.9 | -67.1 | 178.5 | -20.8 | 0 | 0 | 111.9 | V252 V299 D303 S304 R308 | V252-Q301 CarbonylContact O-C 3.39Å; V252-Q301 WeakPolarHBondContact O-CA 3.34Å; V299-Q301 HydrophobicContact CG1-CG 3.92Å; Q301-D303 WeakPolarHBondContact CB-OD1 3.5Å; Q301-D303 PolarHBondContact O-N 2.8Å; Q301-D303 PolarHBondContact OE1-OD1 3.43Å; Q301-S304 PolarHBondContact O-N 3.28Å; Q301-R308 VanDerWaalsContact NE2-NH1 3.13Å |
| 302 | C | 71.5 | Confident | 77.1 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.5 | -177.2 | -65.3 | 0 | 0 | 0 | 0 | 108.3 | C199 G251 V252 | C199-C302 VanDerWaalsContact CA-O 3.27Å; C199-C302 WeakPolarHBondContact CA-O 3.31Å; C199-C302 PolarHBondContact SG-O 2.88Å; G251-C302 VanDerWaalsContact CA-SG 3.51Å; G251-C302 PolarHBondContact O-SG 2.84Å; G251-C302 VanDerWaalsContact O-SG 3.4Å; V252-C302 PolarHBondContact O-N 2.63Å |
| 303 | D | 68.2 | Low | 78 | Confident | 115 Ų | 115 | 32.7 Ų | 32.7 | 62% | 0.615 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 8.4 | -170.2 | 51.8 | -10.6 | 0 | 0 | 0 | 109.2 | Q301 | Q301-D303 WeakPolarHBondContact CB-OD1 3.5Å; Q301-D303 PolarHBondContact O-N 2.8Å; Q301-D303 PolarHBondContact OE1-OD1 3.43Å |
| 304 | S | 69.1 | Low | 78.7 | Confident | 37 Ų | 37 | 30.2 Ų | 30.2 | 26% | 0.259 | 16% | 0.161 | S | C | . | . | trans | -138.4 | 137.5 | -174.2 | 173.1 | 0 | 0 | 0 | 0 | 106.8 | Q301 L306 | Q301-S304 PolarHBondContact O-N 3.28Å; S304-L306 VanDerWaalsContact C-N 3.29Å; S304-L306 PolarHBondContact OG-N 3.18Å; S304-L306 VanDerWaalsContact OG-N 3.15Å; S304-L306 PolarHBondContact OG-O 2.22Å | ||
| 305 | S | 67.5 | Low | 78.4 | Confident | 66 Ų | 66 | 31.3 Ų | 31.3 | 46% | 0.462 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -81 | -17.6 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 306 | L | 78.9 | Confident | 77.1 | Confident | 104 Ų | 104 | 32.4 Ų | 32.4 | 55% | 0.545 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -105.9 | 139.3 | -178.6 | -69.5 | 165.2 | 0 | 0 | 0 | 111.2 | S304 | S304-L306 VanDerWaalsContact C-N 3.29Å; S304-L306 PolarHBondContact OG-N 3.18Å; S304-L306 VanDerWaalsContact OG-N 3.15Å; S304-L306 PolarHBondContact OG-O 2.22Å |
| 307 | P | 86 | Confident | 75.2 | Confident | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | trans | -73.8 | 146.2 | 178.8 | 25.8 | -28.9 | 0 | 0 | 0 | 111 | V299 Y300 F309 | V299-P307 CarbonylContact O-C 3.45Å; V299-P307 WeakPolarHBondContact O-CA 3.04Å; Y300-P307 HydrophobicContact CD1-CB 3.66Å; Y300-P307 HydrophobicContact CD1-CG 4.3Å; Y300-P307 HydrophobicContact CD2-CB 4.38Å; Y300-P307 HydrophobicContact CE1-CB 3.39Å; Y300-P307 HydrophobicContact CE1-CG 3.67Å; Y300-P307 HydrophobicContact CE2-CB 4.1Å; Y300-P307 HydrophobicContact CG-CB 4.15Å; P307-F309 HydrophobicContact CB-CE2 3.99Å; P307-F309 HydrophobicContact CB-CZ 4.26Å; P307-F309 HydrophobicContact CG-CE2 3.69Å; P307-F309 HydrophobicContact CG-CZ 4.03Å | ||
| 308 | R | 87.3 | Confident | 72.8 | Confident | 121 Ų | 121 | 41.1 Ų | 41.1 | 46% | 0.457 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.7 | 168.9 | -67.6 | -174.9 | -176.5 | 173.7 | 1.1 | 111.1 | A298 V299 Q301 Y310 | A298-R308 CarbonylContact C-O 3.4Å; A298-R308 WeakPolarHBondContact CA-O 3.02Å; V299-R308 PolarHBondContact N-O 2.94Å; V299-R308 PolarHBondContact O-N 3.15Å; Q301-R308 VanDerWaalsContact NE2-NH1 3.13Å; R308-Y310 HydrophobicContact CB-CD2 4.47Å; R308-Y310 HydrophobicContact CB-CE2 3.66Å; R308-Y310 WeakPolarHBondContact CD-OH 2.68Å |
| 309 | F | 88.5 | Confident | 70.5 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.2 | -175.6 | -74.3 | -89.7 | 0 | 0 | 0 | 108.6 | I179 K181 P182 L184 L296 L297 A298 P307 | I179-F309 HydrophobicContact CD1-CB 3.92Å; I179-F309 HydrophobicContact CG1-CB 3.49Å; I179-F309 VanDerWaalsContact CG1-CB 3.49Å; I179-F309 WeakPolarHBondContact CG1-O 3.36Å; I179-F309 PolarHBondContact N-O 2.89Å; K181-F309 HydrophobicContact CB-CD2 4.25Å; K181-F309 HydrophobicContact CB-CE2 4.2Å; K181-F309 HydrophobicContact CG-CD2 4.19Å; K181-F309 HydrophobicContact CG-CE2 3.65Å; K181-F309 HydrophobicContact CG-CZ 4.44Å; P182-F309 VanDerWaalsContact CD-CD1 3.44Å; P182-F309 VanDerWaalsContact CD-CD2 3.45Å; P182-F309 HydrophobicContact CG-CD1 3.65Å; P182-F309 HydrophobicContact CG-CD2 4.48Å; P182-F309 HydrophobicContact CG-CE1 3.61Å; P182-F309 HydrophobicContact CG-CE2 4.46Å; P182-F309 HydrophobicContact CG-CG 4.07Å; P182-F309 HydrophobicContact CG-CZ 4.06Å; L184-F309 HydrophobicContact CD1-CZ 3.77Å; L184-F309 HydrophobicContact CD2-CE1 4.14Å; L184-F309 HydrophobicContact CD2-CZ 3.94Å; L184-F309 HydrophobicContact CG-CZ 4.14Å; L296-F309 HydrophobicContact CD1-CD1 4.48Å; L296-F309 HydrophobicContact CD2-CD1 4.4Å; L296-F309 HydrophobicContact CG-CD1 4.43Å; L297-F309 CarbonylContact O-C 3.54Å; L297-F309 WeakPolarHBondContact O-CA 3.45Å; A298-F309 HydrophobicContact CB-CD1 3.82Å; A298-F309 HydrophobicContact CB-CE1 3.54Å; A298-F309 HydrophobicContact CB-CZ 4.24Å; P307-F309 HydrophobicContact CB-CE2 3.99Å; P307-F309 HydrophobicContact CB-CZ 4.26Å; P307-F309 HydrophobicContact CG-CE2 3.69Å; P307-F309 HydrophobicContact CG-CZ 4.03Å |
| 310 | Y | 87.3 | Confident | 67.9 | Low | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.078 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.1 | 178.7 | -60.6 | -91.2 | 0 | 0 | 0 | 109.8 | L176 T177 P178 A255 L296 L297 V299 R308 | L176-Y310 HydrophobicContact CB-CD1 3.84Å; L176-Y310 HydrophobicContact CB-CG 4.18Å; T177-Y310 CarbonylContact O-C 3.57Å; T177-Y310 VanDerWaalsContact O-CA 3.27Å; T177-Y310 WeakPolarHBondContact O-CA 3.45Å; P178-Y310 HydrophobicContact CB-CD1 4.22Å; P178-Y310 HydrophobicContact CB-CE1 4.18Å; A255-Y310 HydrophobicContact CB-CE2 4.11Å; L296-Y310 CarbonylContact C-O 3.5Å; L297-Y310 HydrophobicContact CD2-CD2 4.28Å; L297-Y310 PolarHBondContact N-O 3.41Å; L297-Y310 PolarHBondContact O-N 3.28Å; V299-Y310 HydrophobicContact CB-CE2 4.19Å; V299-Y310 HydrophobicContact CG2-CD2 3.78Å; V299-Y310 HydrophobicContact CG2-CE2 3.81Å; R308-Y310 HydrophobicContact CB-CD2 4.47Å; R308-Y310 HydrophobicContact CB-CE2 3.66Å; R308-Y310 WeakPolarHBondContact CD-OH 2.68Å |
| 311 | E | 81.4 | Confident | 65.7 | Low | 20 Ų | 20 | 56.3 Ų | 56.3 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.4 | 163.4 | -172.8 | 177.1 | -176.2 | 0 | 0 | 110.2 | L176 T177 I179 P294 M295 L412 | L176-E311 CarbonylContact C-O 3.51Å; T177-E311 PolarHBondContact N-O 2.72Å; T177-E311 PolarHBondContact O-N 3.42Å; I179-E311 HydrophobicContact CG2-CB 3.79Å; P294-E311 HydrophobicContact CB-CB 4.5Å; P294-E311 HydrophobicContact CB-CG 3.03Å; P294-E311 WeakPolarHBondContact CB-OE1 3.26Å; P294-E311 HydrophobicContact CG-CG 4.1Å; P294-E311 WeakPolarHBondContact CG-OE1 3.32Å; M295-E311 CarbonylContact O-C 3.58Å; E311-L412 VanDerWaalsContact OE1-CB 3.27Å; E311-L412 WeakPolarHBondContact OE1-CB 3.27Å; E311-L412 PolarHBondContact OE1-N 2.93Å |
| 312 | T | 76.1 | Confident | 63.7 | Low | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.1 | -178.8 | 61 | 0 | 0 | 0 | 0 | 110.8 | V174 N175 L176 P294 M295 L297 | V174-T312 HydrophobicContact CG1-CG2 4.37Å; N175-T312 CarbonylContact O-C 3.45Å; N175-T312 WeakPolarHBondContact O-CA 3.32Å; L176-T312 HydrophobicContact CD2-CG2 3.22Å; P294-T312 CarbonylContact C-O 3.32Å; P294-T312 WeakPolarHBondContact CA-O 3.47Å; M295-T312 WeakPolarHBondContact CA-OG1 3.23Å; M295-T312 WeakPolarHBondContact CB-OG1 2.71Å; M295-T312 HydrophobicContact CE-CG2 4.26Å; M295-T312 PolarHBondContact N-O 2.88Å; M295-T312 PolarHBondContact N-OG1 3.29Å; M295-T312 PolarHBondContact O-N 2.96Å; M295-T312 PolarHBondContact O-OG1 2.9Å; L297-T312 HydrophobicContact CB-CG2 3.71Å; L297-T312 HydrophobicContact CD2-CG2 4.11Å |
| 313 | S | 67.3 | Low | 62.5 | Low | 21 Ų | 21 | 64 Ų | 64 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.7 | 170.3 | 62.4 | 0 | 0 | 0 | 0 | 108.9 | N175 V315 | N175-S313 WeakPolarHBondContact CA-O 3.37Å; N175-S313 WeakPolarHBondContact CB-O 3.3Å; N175-S313 WeakPolarHBondContact CB-OG 3.49Å; N175-S313 PolarHBondContact N-O 2.52Å; N175-S313 PolarHBondContact O-N 3.16Å; S313-V315 PolarHBondContact O-N 3.2Å |
| 314 | I | 64.9 | Low | 61.9 | Low | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 112.4 | 175.1 | -62.8 | 170.8 | 0 | 0 | 0 | 107.9 | I268 L339 | I268-I314 HydrophobicContact CD1-CD1 3.04Å; I268-I314 HydrophobicContact CD1-CG1 3.65Å; I268-I314 HydrophobicContact CG1-CD1 3.93Å; I268-I314 HydrophobicContact CG2-CD1 4.21Å; I314-L339 HydrophobicContact CB-CD1 4.21Å; I314-L339 HydrophobicContact CD1-CD1 2.83Å; I314-L339 HydrophobicContact CD1-CG 4.22Å; I314-L339 HydrophobicContact CG1-CD1 4.03Å; I314-L339 HydrophobicContact CG2-CD1 3.79Å |
| 315 | V | 56.8 | Low | 61.3 | Low | 32 Ų | 32 | 61.7 Ų | 61.7 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | trans | -82.2 | 130.1 | 179.9 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | L173 N175 S313 S317 | L173-V315 HydrophobicContact CB-CB 4.42Å; L173-V315 HydrophobicContact CD2-CB 3.66Å; L173-V315 HydrophobicContact CD2-CG1 3.78Å; L173-V315 HydrophobicContact CD2-CG2 4.04Å; L173-V315 HydrophobicContact CG-CB 4.21Å; L173-V315 HydrophobicContact CG-CG2 4.43Å; L173-V315 PolarHBondContact O-N 3.45Å; N175-V315 HydrophobicContact CB-CG2 3.66Å; N175-V315 WeakPolarHBondContact ND2-CG2 2.86Å; N175-V315 WeakPolarHBondContact OD1-CG2 3.2Å; S313-V315 PolarHBondContact O-N 3.2Å; V315-S317 PolarHBondContact O-N 2.95Å | ||
| 316 | H | 52.1 | Low | 61.3 | Low | 37 Ų | 37 | 59.3 Ų | 59.3 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | trans | -75.5 | 75.6 | 166.5 | -65.1 | 87.4 | 0 | 0 | 0 | 107 | N292 Y318 | N292-H316 PolarHBondContact ND2-CE1 2.87Å; H316-Y318 WeakPolarHBondContact O-CD2 3.41Å; H316-Y318 PolarHBondContact O-N 2.86Å; H316-Y318 VanDerWaalsContact O-N 3.07Å | ||
| 317 | S | 43.9 | Very low | 60.8 | Low | 47 Ų | 47 | 54.6 Ų | 54.6 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | trans | -52.5 | 119 | -177.4 | 76.5 | 0 | 0 | 0 | 0 | 107.7 | L173 V315 | L173-S317 VanDerWaalsContact CD2-CB 3.48Å; V315-S317 PolarHBondContact O-N 2.95Å | ||
| 318 | Y | 39 | Very low | 60.1 | Low | 150 Ų | 150 | 56.6 Ų | 56.6 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | trans | -75.9 | 24.3 | 165.3 | -70.6 | -82.3 | 0 | 0 | 0 | 108.1 | H316 T320 C406 | H316-Y318 WeakPolarHBondContact O-CD2 3.41Å; H316-Y318 PolarHBondContact O-N 2.86Å; H316-Y318 VanDerWaalsContact O-N 3.07Å; Y318-T320 PolarHBondContact O-N 3.44Å; Y318-C406 PolarHBondContact OH-SG 3.13Å | ||
| 319 | E | 40.2 | Very low | 59.4 | Low | 123 Ų | 123 | 50.9 Ų | 50.9 | 58% | 0.575 | 27% | 0.273 | S | S | * | . | trans | -76.4 | 93.4 | -176.2 | -103.5 | 176.6 | -179.9 | 0 | 0 | 108.2 | D321 | E319-D321 HydrophobicContact CB-CB 4.5Å; E319-D321 PolarHBondContact O-N 2.99Å | ||
| 320 | T | 35.3 | Very low | 58.5 | Low | 130 Ų | 130 | 51.9 Ų | 51.9 | 80% | 0.798 | 28% | 0.277 | S | S | * | . | trans | -21.3 | 35.8 | 151.3 | 38.5 | 0 | 0 | 0 | 0 | 107.3 | Y318 T322 | Y318-T320 PolarHBondContact O-N 3.44Å; T320-T322 PolarHBondContact O-N 3.36Å; T320-T322 VanDerWaalsContact O-N 3.08Å | ||
| 321 | D | 39.6 | Very low | 57.4 | Low | 75 Ų | 75 | 51.1 Ų | 51.1 | 40% | 0.401 | 27% | 0.274 | S | S | . | . | trans | -78.6 | 74.1 | 171.1 | -98.1 | -9.1 | 0 | 0 | 0 | 107 | E319 C323 | E319-D321 HydrophobicContact CB-CB 4.5Å; E319-D321 PolarHBondContact O-N 2.99Å; D321-C323 HydrophobicContact CB-CB 4.13Å; D321-C323 PolarHBondContact O-N 3.21Å | ||
| 322 | T | 37.5 | Very low | 56.4 | Low | 129 Ų | 129 | 53.4 Ų | 53.4 | 79% | 0.791 | 28% | 0.284 | S | S | * | . | trans | -12.8 | 17.5 | 148.1 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | T320 D324 | T320-T322 PolarHBondContact O-N 3.36Å; T320-T322 VanDerWaalsContact O-N 3.08Å; T322-D324 PolarHBondContact O-N 2.5Å; T322-D324 VanDerWaalsContact O-N 3.15Å | ||
| 323 | C | 45.3 | Very low | 55.2 | Low | 65 Ų | 65 | 56.2 Ų | 56.2 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | trans | -90.3 | 104.2 | -176.3 | -82.8 | 0 | 0 | 0 | 0 | 109.4 | D321 S325 | D321-C323 HydrophobicContact CB-CB 4.13Å; D321-C323 PolarHBondContact O-N 3.21Å; C323-S325 PolarHBondContact O-N 2.98Å | ||
| 324 | D | 55.1 | Low | 54.3 | Low | 97 Ų | 97 | 61.9 Ų | 61.9 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 13.5 | 177.7 | -81 | -12.7 | 0 | 0 | 0 | 110.9 | T322 L380 | T322-D324 PolarHBondContact O-N 2.5Å; T322-D324 VanDerWaalsContact O-N 3.15Å; D324-L380 HydrophobicContact CB-CD2 4.26Å; D324-L380 WeakPolarHBondContact O-CD1 3.42Å; D324-L380 WeakPolarHBondContact O-CD2 3.41Å; D324-L380 WeakPolarHBondContact O-CG 3.5Å |
| 325 | S | 58.3 | Low | 53.6 | Low | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 16 | -176.9 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | C323 N373 | C323-S325 PolarHBondContact O-N 2.98Å; S325-N373 WeakPolarHBondContact CB-O 2.87Å; S325-N373 PolarHBondContact OG-O 2.8Å |
| 326 | S | 66.3 | Low | 53 | Low | 16 Ų | 16 | 70.1 Ų | 70.1 | 11% | 0.112 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.9 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | K342 F343 T344 | S326-K342 WeakPolarHBondContact OG-CE 3.05Å; S326-K342 PolarHBondContact OG-NZ 3.48Å; S326-F343 CarbonylContact C-O 3.45Å; S326-F343 WeakPolarHBondContact CA-O 3.23Å; S326-T344 PolarHBondContact OG-OG1 3.38Å |
| 327 | V | 69.7 | Low | 53.1 | Low | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | F343 L380 L383 K384 V387 Y399 | V327-F343 PolarHBondContact N-O 3.21Å; V327-F343 PolarHBondContact O-N 3.45Å; V327-L380 HydrophobicContact CG2-CD1 4.3Å; V327-L383 HydrophobicContact CB-CD2 4.21Å; V327-L383 HydrophobicContact CB-CG 4.31Å; V327-L383 HydrophobicContact CG2-CB 4.13Å; V327-L383 HydrophobicContact CG2-CD2 3.36Å; V327-L383 HydrophobicContact CG2-CG 3.45Å; V327-L383 VanDerWaalsContact CG2-CG 3.45Å; V327-K384 HydrophobicContact CG2-CG 3.78Å; V327-V387 HydrophobicContact CB-CG2 4.15Å; V327-V387 HydrophobicContact CG1-CB 3.87Å; V327-V387 HydrophobicContact CG1-CG1 3.82Å; V327-V387 HydrophobicContact CG1-CG2 3.97Å; V327-Y399 HydrophobicContact CG1-CD2 4.11Å; V327-Y399 HydrophobicContact CG1-CE2 3.47Å; V327-Y399 VanDerWaalsContact CG1-CE2 3.47Å |
| 328 | Y | 70.7 | Confident | 53.9 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142 | -174.4 | -68.9 | -92.5 | 0 | 0 | 0 | 109.2 | L341 K342 | Y328-L341 CarbonylContact C-O 3.45Å; Y328-L341 VanDerWaalsContact CA-O 3.3Å; Y328-L341 WeakPolarHBondContact CA-O 3.14Å; Y328-K342 HydrophobicContact CD1-CB 4.03Å; Y328-K342 HydrophobicContact CD1-CG 4.23Å; Y328-K342 HydrophobicContact CE1-CB 3.96Å; Y328-K342 HydrophobicContact CE1-CD 3.9Å; Y328-K342 HydrophobicContact CE1-CG 3.92Å |
| 329 | I | 73.1 | Confident | 55.1 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.9 | 172 | 59.7 | 168.9 | 0 | 0 | 0 | 109.2 | W113 Q340 L341 F343 V387 L397 | W113-I329 HydrophobicContact CZ3-CD1 4.44Å; I329-Q340 CarbonylContact O-C 3.47Å; I329-Q340 WeakPolarHBondContact O-CA 3.26Å; I329-L341 HydrophobicContact CD1-CB 3.84Å; I329-L341 HydrophobicContact CD1-CD1 3.84Å; I329-L341 HydrophobicContact CD1-CG 4.41Å; I329-L341 HydrophobicContact CG1-CB 3.47Å; I329-L341 VanDerWaalsContact CG1-CB 3.47Å; I329-L341 HydrophobicContact CG1-CD1 4.32Å; I329-L341 HydrophobicContact CG1-CG 4.34Å; I329-L341 PolarHBondContact N-O 2.82Å; I329-L341 PolarHBondContact O-N 3.32Å; I329-F343 HydrophobicContact CD1-CD2 4.47Å; I329-F343 HydrophobicContact CD1-CE2 3.87Å; I329-F343 HydrophobicContact CG2-CD2 4.35Å; I329-F343 HydrophobicContact CG2-CE2 4.45Å; I329-V387 HydrophobicContact CG2-CG1 3.16Å; I329-L397 HydrophobicContact CD1-CD2 4.2Å |
| 330 | R | 67.8 | Low | 56.4 | Low | 28 Ų | 28 | 57.5 Ų | 57.5 | 11% | 0.106 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.9 | 174.8 | -77.3 | -175 | -168.4 | 168.8 | -3.8 | 109.4 | P338 L339 Q340 L397 E398 F400 | R330-P338 HydrophobicContact CB-CB 3.69Å; R330-P338 HydrophobicContact CB-CG 4.44Å; R330-P338 HydrophobicContact CG-CB 3.91Å; R330-P338 HydrophobicContact CG-CG 4.2Å; R330-L339 CarbonylContact C-O 3.47Å; R330-L339 WeakPolarHBondContact CA-O 3.45Å; R330-Q340 HydrophobicContact CG-CG 4.09Å; R330-L397 CarbonylContact O-C 3.57Å; R330-L397 WeakPolarHBondContact O-CA 3.48Å; R330-E398 HydrophobicContact CB-CB 4.2Å; R330-E398 PolarHBondContact N-O 3.16Å; R330-E398 PolarHBondContact O-N 3.19Å; R330-F400 HydrophobicContact CG-CB 4.01Å; R330-F400 HydrophobicContact CG-CG 4.4Å; R330-F400 VanDerWaalsContact NH2-CE1 3.32Å |
| 331 | L | 66.1 | Low | 58.2 | Low | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 109.7 | 174.7 | -178.6 | 72.2 | 0 | 0 | 0 | 109.6 | W113 L269 R333 P338 L339 G396 L397 | W113-L331 HydrophobicContact CH2-CD1 4.08Å; L269-L331 HydrophobicContact CD2-CD2 3.93Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 HydrophobicContact CD1-CG 4.2Å; L331-R333 HydrophobicContact CG-CB 4.39Å; L331-P338 VanDerWaalsContact O-CA 3.25Å; L331-P338 WeakPolarHBondContact O-CA 3.44Å; L331-L339 HydrophobicContact CB-CB 4.25Å; L331-L339 HydrophobicContact CD2-CD2 4.5Å; L331-L339 PolarHBondContact N-O 2.99Å; L331-L339 PolarHBondContact O-N 3.42Å; L331-L339 VanDerWaalsContact O-N 3.1Å; L331-G396 CarbonylContact C-O 3.46Å; L331-L397 HydrophobicContact CB-CD2 4.02Å; L331-L397 HydrophobicContact CD1-CD2 3.15Å; L331-L397 HydrophobicContact CD1-CG 3.99Å; L331-L397 HydrophobicContact CG-CD2 4.2Å |
| 332 | H | 58.7 | Low | 60 | Low | 67 Ų | 67 | 49.3 Ų | 49.3 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | trans | -89.8 | 11.2 | -175.4 | -73.2 | -88.3 | 0 | 0 | 0 | 113.8 | N334 G396 E398 | H332-N334 PolarHBondContact O-N 3.38Å; H332-G396 PolarHBondContact N-O 3.37Å; H332-E398 WeakPolarHBondContact CD2-CB 3.42Å; H332-E398 IonicContact CD2-OE2 2.95Å; H332-E398 PolarHBondContact CD2-OE2 3.3Å; H332-E398 IonicContact CE1-OE2 3.74Å; H332-E398 PolarHBondContact CE1-OE2 3.25Å; H332-E398 WeakPolarHBondContact NE2-CB 3.32Å; H332-E398 IonicContact NE2-OE2 3.96Å; H332-E398 PolarHBondContact NE2-OE2 3.35Å | ||
| 333 | R | 52.5 | Low | 61.9 | Low | 70 Ų | 70 | 43.1 Ų | 43.1 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 109.3 | -172.6 | -82.3 | -166.9 | -179.5 | 175.9 | -0.8 | 109.7 | E272 L331 F335 | E272-R333 VanDerWaalsContact CD-O 3.31Å; E272-R333 WeakPolarHBondContact OE2-CB 3.34Å; E272-R333 VanDerWaalsContact OE2-O 3.1Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 HydrophobicContact CD1-CG 4.2Å; L331-R333 HydrophobicContact CG-CB 4.39Å; R333-F335 WeakPolarHBondContact O-CD2 3.26Å; R333-F335 PolarHBondContact O-N 2.87Å |
| 334 | N | 47.3 | Very low | 63.3 | Low | 140 Ų | 140 | 40 Ų | 40 | 75% | 0.749 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 12.8 | 168.5 | -66.8 | -21.1 | 0 | 0 | 0 | 109.9 | H332 | H332-N334 PolarHBondContact O-N 3.38Š|
| 335 | F | 50.9 | Low | 64.4 | Low | 69 Ų | 69 | 35.8 Ų | 35.8 | 30% | 0.303 | 17% | 0.167 | S | C | . | . | trans | -96 | 132.7 | 173 | -68.6 | -78.7 | 0 | 0 | 0 | 106.5 | E272 R333 D337 | E272-F335 HydrophobicContact CG-CE2 4.07Å; E272-F335 HydrophobicContact CG-CZ 3.78Å; E272-F335 WeakPolarHBondContact OE1-CD2 2.92Å; E272-F335 WeakPolarHBondContact OE1-CE2 3.49Å; E272-F335 WeakPolarHBondContact OE1-CZ 2.89Å; R333-F335 WeakPolarHBondContact O-CD2 3.26Å; R333-F335 PolarHBondContact O-N 2.87Å; F335-D337 WeakPolarHBondContact CB-O 3.4Å; F335-D337 PolarHBondContact O-N 3.23Å | ||
| 336 | K | 44.8 | Very low | 65.3 | Low | 161 Ų | 161 | 35.9 Ų | 35.9 | 70% | 0.7 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -59.6 | -26.4 | 170.8 | -156.1 | 174 | 176.3 | -179.1 | 0 | 108.1 | T290 | T290-K336 HydrophobicContact CG2-CD 3.02Å; T290-K336 HydrophobicContact CG2-CG 4.46Å |
| 337 | D | 53.4 | Low | 65.8 | Low | 21 Ų | 21 | 35.1 Ų | 35.1 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -121.4 | 122.5 | 175 | -65.3 | -30.3 | 0 | 0 | 0 | 112 | F335 L339 L407 | F335-D337 WeakPolarHBondContact CB-O 3.4Å; F335-D337 PolarHBondContact O-N 3.23Å; D337-L339 PolarHBondContact O-N 2.82Å; D337-L407 HydrophobicContact CB-CD1 4.23Å; D337-L407 WeakPolarHBondContact OD1-CD1 3.27Å |
| 338 | P | 59.9 | Low | 66.1 | Low | 21 Ų | 21 | 35 Ų | 35 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | trans | -63.7 | 132.3 | -175.8 | 21.1 | -23.6 | 0 | 0 | 0 | 111.3 | R330 L331 | R330-P338 HydrophobicContact CB-CB 3.69Å; R330-P338 HydrophobicContact CB-CG 4.44Å; R330-P338 HydrophobicContact CG-CB 3.91Å; R330-P338 HydrophobicContact CG-CG 4.2Å; L331-P338 VanDerWaalsContact O-CA 3.25Å; L331-P338 WeakPolarHBondContact O-CA 3.44Å | ||
| 339 | L | 65.8 | Low | 65.7 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 124.8 | 169.3 | -168.5 | 85.6 | 0 | 0 | 0 | 111.6 | I268 I314 R330 L331 D337 L341 | I268-L339 HydrophobicContact CG2-CD1 4.08Å; I268-L339 HydrophobicContact CG2-CD2 3.6Å; I268-L339 HydrophobicContact CG2-CG 4.43Å; I314-L339 HydrophobicContact CB-CD1 4.21Å; I314-L339 HydrophobicContact CD1-CD1 2.83Å; I314-L339 HydrophobicContact CD1-CG 4.22Å; I314-L339 HydrophobicContact CG1-CD1 4.03Å; I314-L339 HydrophobicContact CG2-CD1 3.79Å; R330-L339 CarbonylContact C-O 3.47Å; R330-L339 WeakPolarHBondContact CA-O 3.45Å; L331-L339 HydrophobicContact CB-CB 4.25Å; L331-L339 HydrophobicContact CD2-CD2 4.5Å; L331-L339 PolarHBondContact N-O 2.99Å; L331-L339 PolarHBondContact O-N 3.42Å; L331-L339 VanDerWaalsContact O-N 3.1Å; D337-L339 PolarHBondContact O-N 2.82Å; L339-L341 HydrophobicContact CD2-CD2 3.74Å; L339-L341 HydrophobicContact CD2-CG 4.12Å |
| 340 | Q | 66.4 | Low | 64.6 | Low | 47 Ų | 47 | 41.2 Ų | 41.2 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.1 | -178.7 | -70.5 | -173.3 | -3.9 | 0 | 0 | 108.6 | I329 R330 | I329-Q340 CarbonylContact O-C 3.47Å; I329-Q340 WeakPolarHBondContact O-CA 3.26Å; R330-Q340 HydrophobicContact CG-CG 4.09Å |
| 341 | L | 73.8 | Confident | 63.2 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 149.1 | 169.2 | -56.5 | 169.9 | 0 | 0 | 0 | 113.7 | L170 L265 Y328 I329 L339 | L170-L341 HydrophobicContact CD1-CB 3.91Å; L170-L341 HydrophobicContact CD1-CD1 4.48Å; L265-L341 HydrophobicContact CD1-CD2 3.92Å; Y328-L341 CarbonylContact C-O 3.45Å; Y328-L341 VanDerWaalsContact CA-O 3.3Å; Y328-L341 WeakPolarHBondContact CA-O 3.14Å; I329-L341 HydrophobicContact CD1-CB 3.84Å; I329-L341 HydrophobicContact CD1-CD1 3.84Å; I329-L341 HydrophobicContact CD1-CG 4.41Å; I329-L341 HydrophobicContact CG1-CB 3.47Å; I329-L341 VanDerWaalsContact CG1-CB 3.47Å; I329-L341 HydrophobicContact CG1-CD1 4.32Å; I329-L341 HydrophobicContact CG1-CG 4.34Å; I329-L341 PolarHBondContact N-O 2.82Å; I329-L341 PolarHBondContact O-N 3.32Å; L339-L341 HydrophobicContact CD2-CD2 3.74Å; L339-L341 HydrophobicContact CD2-CG 4.12Å |
| 342 | K | 76.9 | Confident | 61.6 | Low | 31 Ų | 31 | 50 Ų | 50 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.6 | -172.4 | 180 | -176.4 | 175.9 | -179.1 | 0 | 110.8 | L170 D171 S326 Y328 T344 | L170-K342 CarbonylContact C-O 3.46Å; D171-K342 PolarHBondContact N-O 2.96Å; D171-K342 PolarHBondContact O-N 3.04Å; S326-K342 WeakPolarHBondContact OG-CE 3.05Å; S326-K342 PolarHBondContact OG-NZ 3.48Å; Y328-K342 HydrophobicContact CD1-CB 4.03Å; Y328-K342 HydrophobicContact CD1-CG 4.23Å; Y328-K342 HydrophobicContact CE1-CB 3.96Å; Y328-K342 HydrophobicContact CE1-CD 3.9Å; Y328-K342 HydrophobicContact CE1-CG 3.92Å; K342-T344 VanDerWaalsContact CE-OG1 3.25Å; K342-T344 WeakPolarHBondContact CE-OG1 3.37Å |
| 343 | F | 77.4 | Confident | 60.4 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.8 | 166.8 | -77.8 | -74.2 | 0 | 0 | 0 | 111.3 | I109 I112 L168 V169 L170 S326 V327 I329 V387 | I109-F343 HydrophobicContact CG2-CZ 4.17Å; I112-F343 HydrophobicContact CD1-CE1 4.02Å; I112-F343 HydrophobicContact CG2-CE1 4.48Å; L168-F343 HydrophobicContact CD1-CB 4.23Å; L168-F343 HydrophobicContact CD1-CD1 4.06Å; L168-F343 HydrophobicContact CD2-CD1 4.05Å; L168-F343 HydrophobicContact CD2-CE1 4.25Å; L168-F343 HydrophobicContact CG-CD1 3.99Å; V169-F343 CarbonylContact O-C 3.46Å; V169-F343 WeakPolarHBondContact O-CA 3.37Å; L170-F343 HydrophobicContact CB-CD1 4.31Å; L170-F343 HydrophobicContact CB-CE1 4.01Å; L170-F343 HydrophobicContact CD1-CD1 4.03Å; L170-F343 HydrophobicContact CD1-CD2 4.16Å; L170-F343 HydrophobicContact CD1-CE1 3.74Å; L170-F343 HydrophobicContact CD1-CE2 3.9Å; L170-F343 HydrophobicContact CD1-CG 4.27Å; L170-F343 HydrophobicContact CD1-CZ 3.64Å; L170-F343 HydrophobicContact CG-CE1 4.41Å; S326-F343 CarbonylContact C-O 3.45Å; S326-F343 WeakPolarHBondContact CA-O 3.23Å; V327-F343 PolarHBondContact N-O 3.21Å; V327-F343 PolarHBondContact O-N 3.45Å; I329-F343 HydrophobicContact CD1-CD2 4.47Å; I329-F343 HydrophobicContact CD1-CE2 3.87Å; I329-F343 HydrophobicContact CG2-CD2 4.35Å; I329-F343 HydrophobicContact CG2-CE2 4.45Å; F343-V387 HydrophobicContact CD2-CG2 4.18Å |
| 344 | T | 75.3 | Confident | 59.3 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.8 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | V20 V169 S326 K342 L346 K372 | V20-T344 HydrophobicContact CG1-CG2 3.77Å; V20-T344 HydrophobicContact CG2-CG2 4.43Å; V169-T344 PolarHBondContact N-O 3.48Å; V169-T344 PolarHBondContact O-N 3.41Å; S326-T344 PolarHBondContact OG-OG1 3.38Å; K342-T344 VanDerWaalsContact CE-OG1 3.25Å; K342-T344 WeakPolarHBondContact CE-OG1 3.37Å; T344-L346 HydrophobicContact CG2-CD2 4.27Å; T344-K372 HydrophobicContact CG2-CG 4.23Å |
| 345 | I | 77.5 | Confident | 59 | Low | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.9 | 177.8 | -67.6 | 173.9 | 0 | 0 | 0 | 108.5 | L105 C167 L168 L383 | L105-I345 HydrophobicContact CD1-CD1 3.45Å; L105-I345 VanDerWaalsContact CD1-CD1 3.45Å; L105-I345 HydrophobicContact CD1-CG1 4.22Å; C167-I345 CarbonylContact O-C 3.58Å; C167-I345 WeakPolarHBondContact O-CA 3.3Å; L168-I345 HydrophobicContact CD1-CG1 3.71Å; I345-L383 HydrophobicContact CD1-CB 3.87Å; I345-L383 HydrophobicContact CD1-CD1 3.81Å; I345-L383 HydrophobicContact CD1-CD2 3.57Å; I345-L383 HydrophobicContact CD1-CG 3.96Å; I345-L383 HydrophobicContact CG1-CD1 4.14Å; I345-L383 HydrophobicContact CG1-CD2 3.78Å |
| 346 | L | 77.5 | Confident | 58.4 | Low | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.9 | 169.7 | -54.6 | 172.3 | 0 | 0 | 0 | 112.7 | V20 V26 E166 C167 V169 T344 L370 K372 | V20-L346 HydrophobicContact CG1-CD2 4.27Å; V26-L346 HydrophobicContact CB-CD1 4.24Å; V26-L346 HydrophobicContact CG2-CD1 3.75Å; E166-L346 CarbonylContact C-O 3.31Å; E166-L346 WeakPolarHBondContact CA-O 2.62Å; C167-L346 HydrophobicContact CB-CB 4.19Å; C167-L346 PolarHBondContact N-O 3.31Å; C167-L346 PolarHBondContact O-N 2.8Å; V169-L346 HydrophobicContact CG2-CD1 3.91Å; V169-L346 HydrophobicContact CG2-CG 4.41Å; T344-L346 HydrophobicContact CG2-CD2 4.27Å; L346-L370 HydrophobicContact CB-CB 4.09Å; L346-K372 HydrophobicContact CD2-CB 4.39Å; L346-K372 HydrophobicContact CD2-CG 3.65Å |
| 347 | S | 76.6 | Confident | 58 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.4 | -176.4 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | V165 V371 N373 | V165-S347 WeakPolarHBondContact O-CA 3.12Å; S347-V371 PolarHBondContact N-O 3.11Å; S347-V371 PolarHBondContact O-N 3.3Å; S347-V371 VanDerWaalsContact O-N 3.11Å; S347-N373 VanDerWaalsContact CB-CB 3.48Å; S347-N373 WeakPolarHBondContact CB-ND2 3.26Å; S347-N373 PolarHBondContact OG-ND2 2.9Å |
| 348 | S | 75 | Confident | 57.1 | Low | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128.3 | 173.5 | 65.8 | 0 | 0 | 0 | 0 | 109.9 | V165 E350 | V165-S348 PolarHBondContact N-OG 3.2Å; V165-S348 VanDerWaalsContact N-OG 3.13Å; V165-S348 PolarHBondContact O-N 2.81Å; S348-E350 PolarHBondContact O-N 3.37Å; S348-E350 VanDerWaalsContact O-N 3.15Å |
| 349 | V | 63 | Low | 56 | Low | 70 Ų | 70 | 59.8 Ų | 59.8 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | trans | -55.2 | 111.1 | -179.2 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | D351 V371 | V349-D351 HydrophobicContact CG1-CB 4.11Å; V349-D351 WeakPolarHBondContact CG1-OD2 3.25Å; V349-D351 PolarHBondContact O-N 2.91Å; V349-V371 HydrophobicContact CB-CG2 4.48Å; V349-V371 HydrophobicContact CG2-CB 4.41Å; V349-V371 HydrophobicContact CG2-CG2 3.06Å | ||
| 350 | E | 50.9 | Low | 54.6 | Low | 114 Ų | 114 | 65.3 Ų | 65.3 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | trans | -59.7 | 34 | 174.3 | -84.1 | -174.2 | 177.2 | 0 | 0 | 110.7 | K162 K164 S348 S352 | K162-E350 IonicContact NZ-OE1 3.53Å; K164-E350 IonicContact NZ-OE1 2.51Å; S348-E350 PolarHBondContact O-N 3.37Å; S348-E350 VanDerWaalsContact O-N 3.15Å; E350-S352 PolarHBondContact O-N 2.52Å | ||
| 351 | D | 37.7 | Very low | 53.6 | Low | 107 Ų | 107 | 70.9 Ų | 70.9 | 57% | 0.572 | 39% | 0.392 | S | S | * | . | trans | -80.5 | 96.7 | 180 | -82.1 | -16.5 | 0 | 0 | 0 | 108.3 | V349 V353 | V349-D351 HydrophobicContact CG1-CB 4.11Å; V349-D351 WeakPolarHBondContact CG1-OD2 3.25Å; V349-D351 PolarHBondContact O-N 2.91Å; D351-V353 HydrophobicContact CB-CG2 3.93Å; D351-V353 VanDerWaalsContact O-CA 3.24Å; D351-V353 WeakPolarHBondContact O-CA 3.41Å; D351-V353 WeakPolarHBondContact O-CB 3.49Å; D351-V353 WeakPolarHBondContact O-CG2 2.61Å; D351-V353 PolarHBondContact O-N 3.48Å | ||
| 352 | S | 32.7 | Very low | 52.4 | Low | 108 Ų | 108 | 75.9 Ų | 75.9 | 76% | 0.755 | 42% | 0.418 | S | S | * | . | trans | 4.5 | 56.4 | 147.6 | 46.5 | 0 | 0 | 0 | 0 | 109.2 | E350 S354 | E350-S352 PolarHBondContact O-N 2.52Å; S352-S354 PolarHBondContact O-N 3.45Å | ||
| 353 | V | 33.7 | Very low | 51.5 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 44% | 0.442 | 44% | 0.442 | S | S | . | . | trans | -83.8 | 92.1 | -154.9 | 171 | 0 | 0 | 0 | 0 | 97.5 | D351 L355 | D351-V353 HydrophobicContact CB-CG2 3.93Å; D351-V353 VanDerWaalsContact O-CA 3.24Å; D351-V353 WeakPolarHBondContact O-CA 3.41Å; D351-V353 WeakPolarHBondContact O-CB 3.49Å; D351-V353 WeakPolarHBondContact O-CG2 2.61Å; D351-V353 PolarHBondContact O-N 3.48Å; V353-L355 WeakPolarHBondContact CG1-O 3.41Å; V353-L355 PolarHBondContact O-N 3.1Å; V353-L355 VanDerWaalsContact O-N 3.16Å | ||
| 354 | S | 29.1 | Very low | 51.4 | Low | 106 Ų | 106 | 82.3 Ų | 82.3 | 74% | 0.741 | 46% | 0.459 | S | S | * | . | S | Bend | -19.5 | 89.5 | 123.7 | 40.5 | 0 | 0 | 0 | 0 | 108.9 | S352 | S352-S354 PolarHBondContact O-N 3.45Š| |
| 355 | L | 40 | Very low | 51.3 | Low | 124 Ų | 124 | 84.4 Ų | 84.4 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | trans | 68.9 | 107.2 | 144.9 | -88.8 | 137.5 | 0 | 0 | 0 | 111.1 | V353 K357 | V353-L355 WeakPolarHBondContact CG1-O 3.41Å; V353-L355 PolarHBondContact O-N 3.1Å; V353-L355 VanDerWaalsContact O-N 3.16Å; L355-K357 PolarHBondContact O-N 3.39Å | ||
| 356 | P | 40.1 | Very low | 51.2 | Low | 50 Ų | 50 | 85.9 Ų | 85.9 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | trans | -39.2 | 95.2 | 157.3 | 5.6 | -0.3 | 0 | 0 | 0 | 105 | F358 F366 | P356-F358 PolarHBondContact O-N 2.68Å; P356-F366 HydrophobicContact CG-CD1 4.09Å; P356-F366 HydrophobicContact CG-CE1 4.4Å | ||
| 357 | K | 35.3 | Very low | 51.2 | Low | 192 Ų | 192 | 88.1 Ų | 88.1 | 84% | 0.835 | 49% | 0.487 | S | S | * | . | trans | -32.4 | 96.6 | 164.4 | -91.1 | -178.1 | -177.2 | 178.2 | 0 | 109 | L355 T359 | L355-K357 PolarHBondContact O-N 3.39Å; K357-T359 PolarHBondContact O-N 3.27Å | ||
| 358 | F | 34.5 | Very low | 51.2 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | trans | -42.2 | 85.5 | 163 | -89.2 | -83.3 | 0 | 0 | 0 | 107.3 | F156 P356 S360 | F156-F358 HydrophobicContact CD1-CZ 4.3Å; F156-F358 HydrophobicContact CE1-CZ 4.18Å; P356-F358 PolarHBondContact O-N 2.68Å; F358-S360 PolarHBondContact O-N 3.16Å | ||
| 359 | T | 36.5 | Very low | 51.4 | Low | 100 Ų | 100 | 95 Ų | 95 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | trans | -65.1 | 91.3 | 162.6 | 46.6 | 0 | 0 | 0 | 0 | 106.9 | K357 E361 | K357-T359 PolarHBondContact O-N 3.27Å; T359-E361 PolarHBondContact O-N 3.26Å | ||
| 360 | S | 37.8 | Very low | 52 | Low | 121 Ų | 121 | 92.1 Ų | 92.1 | 85% | 0.846 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -10.8 | 5.4 | 163.6 | 74.8 | 0 | 0 | 0 | 0 | 110.8 | F358 | F358-S360 PolarHBondContact O-N 3.16Š|
| 361 | E | 44 | Very low | 53 | Low | 164 Ų | 164 | 89.6 Ų | 89.6 | 77% | 0.766 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 9.3 | -174.2 | -96.1 | 179 | -177.3 | 0 | 0 | 109 | T359 | T359-E361 PolarHBondContact O-N 3.26Š|
| 362 | N | 49.5 | Very low | 54.3 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | trans | -166.3 | 75.4 | 169.7 | -81.6 | -14.2 | 0 | 0 | 0 | 109.9 | E364 Y365 | N362-E364 PolarHBondContact O-N 3.42Å; N362-Y365 HydrophobicContact CB-CD2 4.44Å | ||
| 363 | S | 57.6 | Low | 55.6 | Low | 92 Ų | 92 | 83.5 Ų | 83.5 | 64% | 0.643 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -0.7 | -178.9 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | K32 | K32-S363 WeakPolarHBondContact CD-O 3.14Å; K32-S363 WeakPolarHBondContact CE-O 3.34Å; K32-S363 PolarHBondContact NZ-O 3.49Å |
| 364 | E | 75 | Confident | 56.4 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 35% | 0.346 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -11.9 | -169.9 | -165.8 | 179 | 176.9 | 0 | 0 | 110.2 | K32 N362 | K32-E364 WeakPolarHBondContact CG-O 3.08Å; K32-E364 PolarHBondContact N-O 3.22Å; N362-E364 PolarHBondContact O-N 3.42Å |
| 365 | Y | 73.7 | Confident | 57.4 | Low | 45 Ų | 45 | 82.5 Ų | 82.5 | 18% | 0.176 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142 | -169.2 | -63.3 | -95.1 | 0 | 0 | 0 | 109.9 | M29 I30 R31 I69 N362 | M29-Y365 HydrophobicContact CB-CD1 4.4Å; M29-Y365 HydrophobicContact CE-CD2 4.37Å; M29-Y365 HydrophobicContact CE-CG 4.16Å; I30-Y365 CarbonylContact O-C 3.54Å; I30-Y365 WeakPolarHBondContact O-CA 3.36Å; R31-Y365 HydrophobicContact CB-CD1 4.26Å; R31-Y365 HydrophobicContact CB-CE1 4.18Å; R31-Y365 HydrophobicContact CG-CD1 3.53Å; R31-Y365 HydrophobicContact CG-CE1 3Å; R31-Y365 PolarHBondContact NE-OH 3.04Å; R31-Y365 PolarHBondContact NH2-OH 3.47Å; I69-Y365 HydrophobicContact CG2-CE1 3.86Å; N362-Y365 HydrophobicContact CB-CD2 4.44Å |
| 366 | F | 75.8 | Confident | 58 | Low | 37 Ų | 37 | 80.3 Ų | 80.3 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.3 | 156.3 | -69.9 | -65 | 0 | 0 | 0 | 111.9 | M29 I30 K32 C35 Y159 P356 W368 | M29-F366 CarbonylContact C-O 3.6Å; M29-F366 VanDerWaalsContact CA-O 3.27Å; M29-F366 WeakPolarHBondContact CA-O 3.14Å; I30-F366 HydrophobicContact CG2-CB 3.45Å; I30-F366 VanDerWaalsContact CG2-CB 3.45Å; I30-F366 HydrophobicContact CG2-CD2 4.17Å; I30-F366 HydrophobicContact CG2-CG 4.34Å; I30-F366 PolarHBondContact N-O 2.99Å; I30-F366 PolarHBondContact O-N 3.22Å; K32-F366 HydrophobicContact CB-CD2 4.48Å; K32-F366 HydrophobicContact CB-CE2 4.03Å; K32-F366 HydrophobicContact CD-CE2 4.41Å; K32-F366 HydrophobicContact CD-CZ 4.39Å; K32-F366 HydrophobicContact CG-CD2 3.83Å; K32-F366 HydrophobicContact CG-CE2 3.45Å; K32-F366 VanDerWaalsContact CG-CE2 3.45Å; K32-F366 HydrophobicContact CG-CZ 3.87Å; C35-F366 HydrophobicContact CB-CD2 4.22Å; C35-F366 HydrophobicContact CB-CE2 4.13Å; Y159-F366 HydrophobicContact CE2-CE2 4.42Å; P356-F366 HydrophobicContact CG-CD1 4.09Å; P356-F366 HydrophobicContact CG-CE1 4.4Å; F366-W368 HydrophobicContact CB-CE3 4.33Å; F366-W368 HydrophobicContact CB-CH2 3.29Å; F366-W368 HydrophobicContact CB-CZ2 4.2Å; F366-W368 HydrophobicContact CB-CZ3 3.36Å; F366-W368 HydrophobicContact CG-CH2 4.07Å; F366-W368 WeakPolarHBondContact O-CZ3 3.15Å |
| 367 | T | 76 | Confident | 58.9 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.7 | -173.4 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | K27 F28 M29 | K27-T367 HydrophobicContact CB-CG2 4.44Å; F28-T367 CarbonylContact O-C 3.51Å; F28-T367 WeakPolarHBondContact O-CA 3.03Å; M29-T367 HydrophobicContact CG-CG2 3.88Å |
| 368 | W | 78.1 | Confident | 60.2 | Low | 54 Ų | 54 | 84.1 Ų | 84.1 | 21% | 0.205 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.5 | 175.5 | -70 | -93.8 | 0 | 0 | 0 | 110.2 | K27 F28 I30 F163 F366 | K27-W368 CarbonylContact C-O 3.4Å; K27-W368 WeakPolarHBondContact CA-O 3.35Å; F28-W368 HydrophobicContact CB-CB 4.24Å; F28-W368 AromaticContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CZ3 4.28Å; F28-W368 PolarHBondContact N-O 3.18Å; F28-W368 PolarHBondContact O-N 3.4Å; I30-W368 HydrophobicContact CB-CZ3 4.16Å; I30-W368 HydrophobicContact CG2-CE3 4.29Å; I30-W368 HydrophobicContact CG2-CH2 3.57Å; I30-W368 HydrophobicContact CG2-CZ3 3.11Å; F163-W368 HydrophobicContact CD1-CD2 4.34Å; F163-W368 AromaticContact CD1-CE2 3.83Å; F163-W368 HydrophobicContact CD1-CH2 4.17Å; F163-W368 AromaticContact CD1-CZ2 3.79Å; F163-W368 HydrophobicContact CD1-CZ2 3.79Å; F163-W368 HydrophobicContact CE1-CD2 4.29Å; F163-W368 HydrophobicContact CE1-CE3 4.33Å; F163-W368 HydrophobicContact CE1-CH2 4.06Å; F163-W368 HydrophobicContact CE1-CZ2 4.12Å; F163-W368 HydrophobicContact CE1-CZ3 4.2Å; F163-W368 HydrophobicContact CG-CZ2 4.17Å; F163-W368 HydrophobicContact CZ-CH2 4.45Å; F366-W368 HydrophobicContact CB-CE3 4.33Å; F366-W368 HydrophobicContact CB-CH2 3.29Å; F366-W368 HydrophobicContact CB-CZ2 4.2Å; F366-W368 HydrophobicContact CB-CZ3 3.36Å; F366-W368 HydrophobicContact CG-CH2 4.07Å; F366-W368 WeakPolarHBondContact O-CZ3 3.15Å |
| 369 | N | 78.2 | Confident | 61.6 | Low | 94 Ų | 94 | 79.5 Ų | 79.5 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.5 | 171.4 | -69 | -38.4 | 0 | 0 | 0 | 109.8 | K27 | K27-N369 WeakPolarHBondContact CG-OD1 3.17Å |
| 370 | L | 76 | Confident | 63.2 | Low | 9 Ų | 9 | 75.7 Ų | 75.7 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.5 | -180 | -63.5 | 177.7 | 0 | 0 | 0 | 109.2 | V26 F28 F131 V165 C167 L346 | V26-L370 HydrophobicContact CB-CB 4.14Å; V26-L370 HydrophobicContact CB-CD1 4.25Å; V26-L370 HydrophobicContact CG1-CB 4.44Å; V26-L370 HydrophobicContact CG1-CD1 3.61Å; V26-L370 HydrophobicContact CG1-CG 4.38Å; V26-L370 WeakPolarHBondContact O-CB 3.07Å; V26-L370 PolarHBondContact O-N 3.15Å; F28-L370 HydrophobicContact CB-CG 4.49Å; F131-L370 HydrophobicContact CD1-CD1 4.31Å; F131-L370 HydrophobicContact CE1-CD1 3.62Å; V165-L370 HydrophobicContact CB-CD2 4.24Å; V165-L370 HydrophobicContact CG1-CD2 4.22Å; C167-L370 HydrophobicContact CB-CD1 4.03Å; L346-L370 HydrophobicContact CB-CB 4.09Å |
| 371 | V | 71.1 | Confident | 64.9 | Low | 61 Ų | 61 | 74 Ų | 74 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 158.4 | -177.5 | -69.9 | 0 | 0 | 0 | 0 | 109.5 | S347 V349 N373 | S347-V371 PolarHBondContact N-O 3.11Å; S347-V371 PolarHBondContact O-N 3.3Å; S347-V371 VanDerWaalsContact O-N 3.11Å; V349-V371 HydrophobicContact CB-CG2 4.48Å; V349-V371 HydrophobicContact CG2-CB 4.41Å; V349-V371 HydrophobicContact CG2-CG2 3.06Å; V371-N373 PolarHBondContact O-N 3.41Å |
| 372 | K | 66.5 | Low | 66.4 | Low | 60 Ų | 60 | 68.5 Ų | 68.5 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 97.1 | 172.3 | -74.7 | -173.5 | -169.9 | -179.7 | 0 | 108.2 | V20 T344 L346 I374 | V20-K372 HydrophobicContact CG1-CD 3.9Å; V20-K372 HydrophobicContact CG1-CG 4.03Å; V20-K372 WeakPolarHBondContact O-CE 3.09Å; V20-K372 PolarHBondContact O-NZ 3.29Å; T344-K372 HydrophobicContact CG2-CG 4.23Å; L346-K372 HydrophobicContact CD2-CB 4.39Å; L346-K372 HydrophobicContact CD2-CG 3.65Å; K372-I374 PolarHBondContact O-N 2.84Å; K372-I374 VanDerWaalsContact O-N 3.12Å |
| 373 | N | 58.3 | Low | 67.7 | Low | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | trans | -57.6 | 117.9 | -177.2 | -152 | -3.2 | 0 | 0 | 0 | 109.2 | S325 S347 V371 S375 | S325-N373 WeakPolarHBondContact CB-O 2.87Å; S325-N373 PolarHBondContact OG-O 2.8Å; S347-N373 VanDerWaalsContact CB-CB 3.48Å; S347-N373 WeakPolarHBondContact CB-ND2 3.26Å; S347-N373 PolarHBondContact OG-ND2 2.9Å; V371-N373 PolarHBondContact O-N 3.41Å; N373-S375 PolarHBondContact O-N 2.94Å | ||
| 374 | I | 50.7 | Low | 68.7 | Low | 149 Ų | 149 | 63 Ų | 63 | 76% | 0.764 | 32% | 0.316 | S | S | * | . | trans | -61 | 52.4 | 157.8 | -56.1 | 166.2 | 0 | 0 | 0 | 105.7 | K372 | K372-I374 PolarHBondContact O-N 2.84Å; K372-I374 VanDerWaalsContact O-N 3.12Å | ||
| 375 | S | 51 | Low | 69 | Low | 10 Ų | 10 | 64.9 Ų | 64.9 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | trans | -44.2 | 143.7 | -175 | 112.4 | 0 | 0 | 0 | 0 | 110 | N373 K377 N379 L380 | N373-S375 PolarHBondContact O-N 2.94Å; S375-K377 PolarHBondContact O-N 2.54Å; S375-N379 WeakPolarHBondContact OG-CB 3.29Å; S375-L380 PolarHBondContact OG-N 2.84Å | ||
| 376 | P | 53.2 | Low | 69.3 | Low | 78 Ų | 78 | 63 Ų | 63 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | trans | -46.6 | 120 | 169.9 | -2.3 | 2.2 | 0 | 0 | 0 | 106.7 | E378 N379 | P376-E378 CarbonylContact O-C 3.51Å; P376-E378 WeakPolarHBondContact O-CA 3.29Å; P376-E378 PolarHBondContact O-N 3.47Å; P376-N379 PolarHBondContact O-N 3.23Å | ||
| 377 | K | 59.1 | Low | 69.6 | Low | 179 Ų | 179 | 61.2 Ų | 61.2 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -12.9 | -27.7 | 169 | -81.2 | -173.2 | -176.5 | 179.2 | 0 | 110.7 | S375 T381 | S375-K377 PolarHBondContact O-N 2.54Å; K377-T381 PolarHBondContact O-N 3.09Å; K377-T381 VanDerWaalsContact O-N 3.1Å; K377-T381 PolarHBondContact O-OG1 3.05Å |
| 378 | E | 60.7 | Low | 69.8 | Low | 143 Ų | 143 | 63 Ų | 63 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -72.2 | -42.7 | -178.6 | -75 | 177.6 | -175.5 | 0 | 0 | 113.5 | P376 L380 T381 I382 | P376-E378 CarbonylContact O-C 3.51Å; P376-E378 WeakPolarHBondContact O-CA 3.29Å; P376-E378 PolarHBondContact O-N 3.47Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 3.49Å; E378-T381 PolarHBondContact O-N 2.55Å; E378-I382 WeakPolarHBondContact O-CD1 3.5Å; E378-I382 WeakPolarHBondContact O-CG1 3.44Å; E378-I382 PolarHBondContact O-N 3.35Å |
| 379 | N | 65.6 | Low | 69.9 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 178.6 | -80.2 | -10.1 | 0 | 0 | 0 | 110.6 | E101 S375 P376 T381 I382 L383 | E101-N379 PolarHBondContact OE2-OD1 3.46Å; S375-N379 WeakPolarHBondContact OG-CB 3.29Å; P376-N379 PolarHBondContact O-N 3.23Å; N379-T381 VanDerWaalsContact C-N 3.31Å; N379-I382 PolarHBondContact O-N 2.98Å; N379-L383 WeakPolarHBondContact O-CB 3.21Å; N379-L383 PolarHBondContact O-N 3.03Å |
| 380 | L | 69.6 | Low | 70 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | -178.9 | -178.2 | 63.9 | 0 | 0 | 0 | 110.6 | D324 V327 S375 E378 I382 L383 K384 | D324-L380 HydrophobicContact CB-CD2 4.26Å; D324-L380 WeakPolarHBondContact O-CD1 3.42Å; D324-L380 WeakPolarHBondContact O-CD2 3.41Å; D324-L380 WeakPolarHBondContact O-CG 3.5Å; V327-L380 HydrophobicContact CG2-CD1 4.3Å; S375-L380 PolarHBondContact OG-N 2.84Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 3.49Å; L380-I382 PolarHBondContact O-N 3.41Å; L380-L383 PolarHBondContact O-N 3.44Å; L380-K384 HydrophobicContact CG-CD 4.4Å; L380-K384 HydrophobicContact CG-CG 4.46Å; L380-K384 WeakPolarHBondContact O-CB 3.13Å; L380-K384 VanDerWaalsContact O-CG 3.24Å; L380-K384 WeakPolarHBondContact O-CG 3.46Å; L380-K384 PolarHBondContact O-N 3.13Å |
| 381 | T | 73.3 | Confident | 70.1 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.6 | -47.2 | 0 | 0 | 0 | 0 | 110.2 | K377 E378 N379 L383 K384 E385 | K377-T381 PolarHBondContact O-N 3.09Å; K377-T381 VanDerWaalsContact O-N 3.1Å; K377-T381 PolarHBondContact O-OG1 3.05Å; E378-T381 PolarHBondContact O-N 2.55Å; N379-T381 VanDerWaalsContact C-N 3.31Å; T381-L383 VanDerWaalsContact C-N 3.27Å; T381-L383 PolarHBondContact O-N 3.25Å; T381-K384 PolarHBondContact O-N 3.23Å; T381-E385 WeakPolarHBondContact O-CB 3.34Å; T381-E385 PolarHBondContact O-N 3.21Å |
| 382 | I | 75.2 | Confident | 70.4 | Confident | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | -178.5 | -67.1 | 171.9 | 0 | 0 | 0 | 109.3 | E378 N379 L380 E385 S386 | E378-I382 WeakPolarHBondContact O-CD1 3.5Å; E378-I382 WeakPolarHBondContact O-CG1 3.44Å; E378-I382 PolarHBondContact O-N 3.35Å; N379-I382 PolarHBondContact O-N 2.98Å; L380-I382 PolarHBondContact O-N 3.41Å; I382-E385 PolarHBondContact O-N 2.99Å; I382-S386 WeakPolarHBondContact O-CB 3.49Å; I382-S386 PolarHBondContact O-N 3.02Å; I382-S386 PolarHBondContact O-OG 3.43Å |
| 383 | L | 76.8 | Confident | 70.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 178.7 | -179.5 | 66.1 | 0 | 0 | 0 | 111.4 | L105 L168 V327 I345 N379 L380 T381 E385 S386 V387 | L105-L383 HydrophobicContact CD1-CD1 3.87Å; L105-L383 HydrophobicContact CD2-CB 3.93Å; L105-L383 HydrophobicContact CD2-CD1 3.17Å; L105-L383 HydrophobicContact CD2-CG 4.07Å; L105-L383 HydrophobicContact CG-CD1 3.83Å; L168-L383 HydrophobicContact CD1-CD1 4Å; V327-L383 HydrophobicContact CB-CD2 4.21Å; V327-L383 HydrophobicContact CB-CG 4.31Å; V327-L383 HydrophobicContact CG2-CB 4.13Å; V327-L383 HydrophobicContact CG2-CD2 3.36Å; V327-L383 HydrophobicContact CG2-CG 3.45Å; V327-L383 VanDerWaalsContact CG2-CG 3.45Å; I345-L383 HydrophobicContact CD1-CB 3.87Å; I345-L383 HydrophobicContact CD1-CD1 3.81Å; I345-L383 HydrophobicContact CD1-CD2 3.57Å; I345-L383 HydrophobicContact CD1-CG 3.96Å; I345-L383 HydrophobicContact CG1-CD1 4.14Å; I345-L383 HydrophobicContact CG1-CD2 3.78Å; N379-L383 WeakPolarHBondContact O-CB 3.21Å; N379-L383 PolarHBondContact O-N 3.03Å; L380-L383 PolarHBondContact O-N 3.44Å; T381-L383 VanDerWaalsContact C-N 3.27Å; T381-L383 PolarHBondContact O-N 3.25Å; L383-E385 PolarHBondContact O-N 3.47Å; L383-S386 PolarHBondContact O-N 3.31Å; L383-V387 HydrophobicContact CD1-CG2 4.01Å; L383-V387 HydrophobicContact CG-CG2 4.23Å; L383-V387 WeakPolarHBondContact O-CB 3.35Å; L383-V387 WeakPolarHBondContact O-CG2 3.43Å; L383-V387 PolarHBondContact O-N 2.9Å |
| 384 | K | 79.4 | Confident | 71.1 | Confident | 81 Ų | 81 | 66 Ų | 66 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.7 | -45.8 | 177.8 | -74.8 | -175.7 | 177.5 | 178.3 | 0 | 111.4 | V327 L380 T381 S386 V387 K388 Y399 | V327-K384 HydrophobicContact CG2-CG 3.78Å; L380-K384 HydrophobicContact CG-CD 4.4Å; L380-K384 HydrophobicContact CG-CG 4.46Å; L380-K384 WeakPolarHBondContact O-CB 3.13Å; L380-K384 VanDerWaalsContact O-CG 3.24Å; L380-K384 WeakPolarHBondContact O-CG 3.46Å; L380-K384 PolarHBondContact O-N 3.13Å; T381-K384 PolarHBondContact O-N 3.23Å; K384-S386 VanDerWaalsContact C-N 3.29Å; K384-S386 PolarHBondContact O-N 2.85Å; K384-V387 PolarHBondContact O-N 3.2Å; K384-K388 WeakPolarHBondContact O-CB 3.25Å; K384-K388 PolarHBondContact O-N 3.49Å; K384-Y399 WeakPolarHBondContact CB-OH 3.49Å; K384-Y399 WeakPolarHBondContact CD-OH 2.99Å; K384-Y399 VanDerWaalsContact CG-OH 3.28Å; K384-Y399 WeakPolarHBondContact CG-OH 3.21Å |
| 385 | E | 80.5 | Confident | 71.6 | Confident | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | -176.9 | -172.9 | 62 | -162.3 | 0 | 0 | 110 | T381 I382 L383 V387 K388 Q389 | T381-E385 WeakPolarHBondContact O-CB 3.34Å; T381-E385 PolarHBondContact O-N 3.21Å; I382-E385 PolarHBondContact O-N 2.99Å; L383-E385 PolarHBondContact O-N 3.47Å; E385-V387 VanDerWaalsContact C-N 3.34Å; E385-K388 PolarHBondContact O-N 3.37Å; E385-Q389 WeakPolarHBondContact O-CB 2.25Å; E385-Q389 PolarHBondContact O-N 3.04Å |
| 386 | S | 81.3 | Confident | 72.1 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | -178.3 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | L105 D106 I382 L383 K384 K388 Q389 F390 | L105-S386 WeakPolarHBondContact CD2-OG 3.25Å; D106-S386 WeakPolarHBondContact OD1-CA 3.5Å; D106-S386 WeakPolarHBondContact OD1-CB 3.2Å; D106-S386 PolarHBondContact OD1-OG 3.46Å; I382-S386 WeakPolarHBondContact O-CB 3.49Å; I382-S386 PolarHBondContact O-N 3.02Å; I382-S386 PolarHBondContact O-OG 3.43Å; L383-S386 PolarHBondContact O-N 3.31Å; K384-S386 VanDerWaalsContact C-N 3.29Å; K384-S386 PolarHBondContact O-N 2.85Å; S386-K388 VanDerWaalsContact C-N 3.35Å; S386-Q389 PolarHBondContact O-N 2.9Å; S386-F390 WeakPolarHBondContact O-CB 2.72Å; S386-F390 PolarHBondContact O-N 3.41Å |
| 387 | V | 80.3 | Confident | 72.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -44 | 179.1 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | I109 V327 I329 F343 L383 K384 E385 Q389 F390 C391 Y399 | I109-V387 HydrophobicContact CD1-CG2 3.75Å; V327-V387 HydrophobicContact CB-CG2 4.15Å; V327-V387 HydrophobicContact CG1-CB 3.87Å; V327-V387 HydrophobicContact CG1-CG1 3.82Å; V327-V387 HydrophobicContact CG1-CG2 3.97Å; I329-V387 HydrophobicContact CG2-CG1 3.16Å; F343-V387 HydrophobicContact CD2-CG2 4.18Å; L383-V387 HydrophobicContact CD1-CG2 4.01Å; L383-V387 HydrophobicContact CG-CG2 4.23Å; L383-V387 WeakPolarHBondContact O-CB 3.35Å; L383-V387 WeakPolarHBondContact O-CG2 3.43Å; L383-V387 PolarHBondContact O-N 2.9Å; K384-V387 PolarHBondContact O-N 3.2Å; E385-V387 VanDerWaalsContact C-N 3.34Å; V387-Q389 VanDerWaalsContact C-N 3.28Å; V387-Q389 PolarHBondContact O-N 3.39Å; V387-F390 WeakPolarHBondContact O-CB 3.24Å; V387-F390 PolarHBondContact O-N 3.25Å; V387-F390 VanDerWaalsContact O-N 3.17Å; V387-C391 PolarHBondContact O-N 3.26Å; V387-C391 PolarHBondContact O-SG 3.3Å; V387-Y399 HydrophobicContact CB-CD2 4.47Å; V387-Y399 HydrophobicContact CG1-CD2 3.96Å; V387-Y399 HydrophobicContact CG1-CE2 4.43Å |
| 388 | K | 81.4 | Confident | 73.2 | Confident | 93 Ų | 93 | 60 Ų | 60 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.2 | -48.8 | 176.5 | -171.1 | 177 | 179 | -178.5 | 0 | 111.9 | K384 E385 S386 F390 C391 D392 Y399 | K384-K388 WeakPolarHBondContact O-CB 3.25Å; K384-K388 PolarHBondContact O-N 3.49Å; E385-K388 PolarHBondContact O-N 3.37Å; S386-K388 VanDerWaalsContact C-N 3.35Å; K388-F390 PolarHBondContact O-N 3Å; K388-C391 PolarHBondContact O-N 3.36Å; K388-D392 PolarHBondContact O-N 3.49Å; K388-Y399 HydrophobicContact CB-CD2 4.27Å; K388-Y399 HydrophobicContact CB-CG 4.31Å; K388-Y399 HydrophobicContact CG-CD1 4.5Å; K388-Y399 HydrophobicContact CG-CG 4.38Å |
| 389 | Q | 79.8 | Confident | 73.5 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 179.2 | -172.6 | 175.8 | 5.3 | 0 | 0 | 111.3 | E385 S386 V387 D392 S393 | E385-Q389 WeakPolarHBondContact O-CB 2.25Å; E385-Q389 PolarHBondContact O-N 3.04Å; S386-Q389 PolarHBondContact O-N 2.9Å; V387-Q389 VanDerWaalsContact C-N 3.28Å; V387-Q389 PolarHBondContact O-N 3.39Å; Q389-D392 PolarHBondContact O-N 2.95Å; Q389-S393 PolarHBondContact O-N 3Å |
| 390 | F | 81 | Confident | 73.5 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -49.8 | -178.9 | 173.2 | -106.1 | 0 | 0 | 0 | 109.1 | I109 Q110 W113 S386 V387 K388 D392 S393 V394 L397 | I109-F390 HydrophobicContact CG2-CB 4.02Å; I109-F390 HydrophobicContact CG2-CD1 3.73Å; I109-F390 HydrophobicContact CG2-CD2 3.69Å; I109-F390 HydrophobicContact CG2-CE1 4.03Å; I109-F390 HydrophobicContact CG2-CE2 4.04Å; I109-F390 HydrophobicContact CG2-CG 3.54Å; I109-F390 HydrophobicContact CG2-CZ 4.18Å; Q110-F390 HydrophobicContact CG-CD2 4.27Å; Q110-F390 HydrophobicContact CG-CE2 4.41Å; W113-F390 HydrophobicContact CB-CE1 4.27Å; W113-F390 HydrophobicContact CB-CE2 3.83Å; W113-F390 HydrophobicContact CB-CZ 3.28Å; W113-F390 AromaticContact CD1-CZ 3.57Å; W113-F390 AromaticContact CD2-CE1 3.78Å; W113-F390 HydrophobicContact CD2-CE1 3.78Å; W113-F390 AromaticContact CD2-CZ 3.33Å; W113-F390 HydrophobicContact CD2-CZ 3.33Å; W113-F390 AromaticContact CE2-CZ 3.94Å; W113-F390 AromaticContact CE3-CE1 3.87Å; W113-F390 HydrophobicContact CE3-CE1 3.87Å; W113-F390 AromaticContact CE3-CZ 3.86Å; W113-F390 HydrophobicContact CE3-CZ 3.86Å; W113-F390 HydrophobicContact CG-CE1 4.01Å; W113-F390 AromaticContact CG-CE2 3.91Å; W113-F390 HydrophobicContact CG-CE2 3.91Å; W113-F390 AromaticContact CG-CZ 3.08Å; W113-F390 HydrophobicContact CG-CZ 3.08Å; W113-F390 HydrophobicContact CZ3-CE1 4.47Å; S386-F390 WeakPolarHBondContact O-CB 2.72Å; S386-F390 PolarHBondContact O-N 3.41Å; V387-F390 WeakPolarHBondContact O-CB 3.24Å; V387-F390 PolarHBondContact O-N 3.25Å; V387-F390 VanDerWaalsContact O-N 3.17Å; K388-F390 PolarHBondContact O-N 3Å; F390-D392 PolarHBondContact O-N 3.19Å; F390-S393 VanDerWaalsContact C-OG 3.28Å; F390-S393 WeakPolarHBondContact CA-OG 3.37Å; F390-S393 PolarHBondContact O-N 3.38Å; F390-S393 PolarHBondContact O-OG 3.22Å; F390-V394 HydrophobicContact CD2-CG2 4.18Å; F390-V394 HydrophobicContact CE1-CG2 4.13Å; F390-V394 HydrophobicContact CE2-CG2 3.71Å; F390-V394 HydrophobicContact CZ-CG2 3.7Å; F390-V394 PolarHBondContact O-N 2.86Å; F390-V394 VanDerWaalsContact O-N 3.14Å; F390-L397 HydrophobicContact CD1-CD1 4.12Å; F390-L397 HydrophobicContact CE1-CD1 3.52Å; F390-L397 HydrophobicContact CZ-CD1 4.26Å |
| 391 | C | 77.9 | Confident | 73 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -35.1 | 179.2 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | V387 K388 S393 V394 L397 | V387-C391 PolarHBondContact O-N 3.26Å; V387-C391 PolarHBondContact O-SG 3.3Å; K388-C391 PolarHBondContact O-N 3.36Å; C391-S393 PolarHBondContact O-N 2.8Å; C391-V394 PolarHBondContact O-N 3.21Å; C391-L397 HydrophobicContact CB-CB 4.13Å |
| 392 | D | 77 | Confident | 71.8 | Confident | 125 Ų | 125 | 61.4 Ų | 61.4 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.7 | -25.1 | 177.9 | -70.7 | -16.6 | 0 | 0 | 0 | 110 | K388 Q389 F390 | K388-D392 PolarHBondContact O-N 3.49Å; Q389-D392 PolarHBondContact O-N 2.95Å; F390-D392 PolarHBondContact O-N 3.19Å |
| 393 | S | 72.2 | Confident | 70 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -91.2 | -17.9 | -176.2 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | Q389 F390 C391 | Q389-S393 PolarHBondContact O-N 3Å; F390-S393 VanDerWaalsContact C-OG 3.28Å; F390-S393 WeakPolarHBondContact CA-OG 3.37Å; F390-S393 PolarHBondContact O-N 3.38Å; F390-S393 PolarHBondContact O-OG 3.22Å; C391-S393 PolarHBondContact O-N 2.8Å |
| 394 | V | 67.3 | Low | 68 | Low | 25 Ų | 25 | 77 Ų | 77 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -112.2 | 124.4 | -175.5 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | W113 F390 C391 G396 L397 | W113-V394 HydrophobicContact CZ2-CG1 3.86Å; F390-V394 HydrophobicContact CD2-CG2 4.18Å; F390-V394 HydrophobicContact CE1-CG2 4.13Å; F390-V394 HydrophobicContact CE2-CG2 3.71Å; F390-V394 HydrophobicContact CZ-CG2 3.7Å; F390-V394 PolarHBondContact O-N 2.86Å; F390-V394 VanDerWaalsContact O-N 3.14Å; C391-V394 PolarHBondContact O-N 3.21Å; V394-G396 PolarHBondContact O-N 2.46Å; V394-L397 HydrophobicContact CB-CD1 3.64Å; V394-L397 HydrophobicContact CB-CG 4.37Å; V394-L397 HydrophobicContact CG1-CD1 3.59Å; V394-L397 HydrophobicContact CG1-CG 4.12Å; V394-L397 HydrophobicContact CG2-CD1 4.29Å |
| 395 | H | 61.5 | Low | 65.7 | Low | 170 Ų | 170 | 77.8 Ų | 77.8 | 79% | 0.787 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 131.8 | 180 | -168.3 | -78.9 | 0 | 0 | 0 | 110 | ||
| 396 | G | 60.4 | Low | 63.3 | Low | 19 Ų | 19 | 77.3 Ų | 77.3 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | -4.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L331 H332 V394 | L331-G396 CarbonylContact C-O 3.46Å; H332-G396 PolarHBondContact N-O 3.37Å; V394-G396 PolarHBondContact O-N 2.46Å |
| 397 | L | 69.4 | Low | 61 | Low | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.9 | 176.8 | -69.3 | 173.4 | 0 | 0 | 0 | 111.6 | W113 I329 R330 L331 F390 C391 V394 | W113-L397 HydrophobicContact CD2-CD1 4.3Å; W113-L397 HydrophobicContact CE3-CD1 4.25Å; W113-L397 HydrophobicContact CH2-CD1 3.3Å; W113-L397 HydrophobicContact CH2-CD2 3.47Å; W113-L397 VanDerWaalsContact CH2-CD2 3.47Å; W113-L397 HydrophobicContact CH2-CG 3.76Å; W113-L397 HydrophobicContact CZ2-CD1 3.38Å; W113-L397 HydrophobicContact CZ2-CD2 4.21Å; W113-L397 HydrophobicContact CZ2-CG 3.99Å; W113-L397 HydrophobicContact CZ3-CD1 3.76Å; W113-L397 HydrophobicContact CZ3-CD2 4.06Å; W113-L397 HydrophobicContact CZ3-CG 4.5Å; I329-L397 HydrophobicContact CD1-CD2 4.2Å; R330-L397 CarbonylContact O-C 3.57Å; R330-L397 WeakPolarHBondContact O-CA 3.48Å; L331-L397 HydrophobicContact CB-CD2 4.02Å; L331-L397 HydrophobicContact CD1-CD2 3.15Å; L331-L397 HydrophobicContact CD1-CG 3.99Å; L331-L397 HydrophobicContact CG-CD2 4.2Å; F390-L397 HydrophobicContact CD1-CD1 4.12Å; F390-L397 HydrophobicContact CE1-CD1 3.52Å; F390-L397 HydrophobicContact CZ-CD1 4.26Å; C391-L397 HydrophobicContact CB-CB 4.13Å; V394-L397 HydrophobicContact CB-CD1 3.64Å; V394-L397 HydrophobicContact CB-CG 4.37Å; V394-L397 HydrophobicContact CG1-CD1 3.59Å; V394-L397 HydrophobicContact CG1-CG 4.12Å; V394-L397 HydrophobicContact CG2-CD1 4.29Å |
| 398 | E | 67.2 | Low | 58.6 | Low | 87 Ų | 87 | 84.9 Ų | 84.9 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.1 | -178.1 | -172.7 | -179.4 | 175.6 | 0 | 0 | 107.4 | R330 H332 F400 | R330-E398 HydrophobicContact CB-CB 4.2Å; R330-E398 PolarHBondContact N-O 3.16Å; R330-E398 PolarHBondContact O-N 3.19Å; H332-E398 WeakPolarHBondContact CD2-CB 3.42Å; H332-E398 IonicContact CD2-OE2 2.95Å; H332-E398 PolarHBondContact CD2-OE2 3.3Å; H332-E398 IonicContact CE1-OE2 3.74Å; H332-E398 PolarHBondContact CE1-OE2 3.25Å; H332-E398 WeakPolarHBondContact NE2-CB 3.32Å; H332-E398 IonicContact NE2-OE2 3.96Å; H332-E398 PolarHBondContact NE2-OE2 3.35Å; E398-F400 PolarHBondContact O-N 2.99Å |
| 399 | Y | 67.4 | Low | 56.5 | Low | 33 Ų | 33 | 83.7 Ų | 83.7 | 13% | 0.129 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.9 | 172.7 | 176.2 | -100.2 | 0 | 0 | 0 | 109.4 | V327 K384 V387 K388 D401 | V327-Y399 HydrophobicContact CG1-CD2 4.11Å; V327-Y399 HydrophobicContact CG1-CE2 3.47Å; V327-Y399 VanDerWaalsContact CG1-CE2 3.47Å; K384-Y399 WeakPolarHBondContact CB-OH 3.49Å; K384-Y399 WeakPolarHBondContact CD-OH 2.99Å; K384-Y399 VanDerWaalsContact CG-OH 3.28Å; K384-Y399 WeakPolarHBondContact CG-OH 3.21Å; V387-Y399 HydrophobicContact CB-CD2 4.47Å; V387-Y399 HydrophobicContact CG1-CD2 3.96Å; V387-Y399 HydrophobicContact CG1-CE2 4.43Å; K388-Y399 HydrophobicContact CB-CD2 4.27Å; K388-Y399 HydrophobicContact CB-CG 4.31Å; K388-Y399 HydrophobicContact CG-CD1 4.5Å; K388-Y399 HydrophobicContact CG-CG 4.38Å; Y399-D401 HydrophobicContact CD1-CB 4.41Å; Y399-D401 HydrophobicContact CE1-CB 3.84Å; Y399-D401 WeakPolarHBondContact CE1-OD1 3.47Å; Y399-D401 WeakPolarHBondContact CE1-OD2 3.08Å; Y399-D401 VanDerWaalsContact CZ-CG 3.43Å; Y399-D401 PolarHBondContact OH-OD1 2.66Å |
| 400 | F | 64.6 | Low | 54.3 | Low | 32 Ų | 32 | 81.1 Ų | 81.1 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | trans | -112.7 | 106.3 | -175.8 | -172.6 | -105.5 | 0 | 0 | 0 | 108 | R330 E398 K403 | R330-F400 HydrophobicContact CG-CB 4.01Å; R330-F400 HydrophobicContact CG-CG 4.4Å; R330-F400 VanDerWaalsContact NH2-CE1 3.32Å; E398-F400 PolarHBondContact O-N 2.99Å; F400-K403 WeakPolarHBondContact CE2-O 3.26Å; F400-K403 VanDerWaalsContact CZ-N 3.27Å; F400-K403 WeakPolarHBondContact CZ-O 3.49Å | ||
| 401 | D | 58.2 | Low | 52.4 | Low | 96 Ų | 96 | 85.1 Ų | 85.1 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | trans | -90.4 | 77.9 | 177.1 | -95.8 | -17.5 | 0 | 0 | 0 | 107.8 | Y399 K403 | Y399-D401 HydrophobicContact CD1-CB 4.41Å; Y399-D401 HydrophobicContact CE1-CB 3.84Å; Y399-D401 WeakPolarHBondContact CE1-OD1 3.47Å; Y399-D401 WeakPolarHBondContact CE1-OD2 3.08Å; Y399-D401 VanDerWaalsContact CZ-CG 3.43Å; Y399-D401 PolarHBondContact OH-OD1 2.66Å; D401-K403 PolarHBondContact O-N 3.26Å | ||
| 402 | D | 48.1 | Very low | 50.7 | Low | 129 Ų | 129 | 87.3 Ų | 87.3 | 69% | 0.69 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 41.6 | 79.1 | 164.1 | -83.2 | -15.6 | 0 | 0 | 0 | 111.1 | ||
| 403 | K | 39.1 | Very low | 49.1 | Very low | 171 Ų | 171 | 86.8 Ų | 86.8 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | trans | -148.2 | 98.5 | 149.4 | -84.6 | -175.4 | -177.5 | -177.1 | 0 | 111.8 | F400 D401 | F400-K403 WeakPolarHBondContact CE2-O 3.26Å; F400-K403 VanDerWaalsContact CZ-N 3.27Å; F400-K403 WeakPolarHBondContact CZ-O 3.49Å; D401-K403 PolarHBondContact O-N 3.26Å | ||
| 404 | F | 33.2 | Very low | 47.7 | Very low | 203 Ų | 203 | 85.4 Ų | 85.4 | 89% | 0.89 | 46% | 0.458 | S | S | * | . | trans | 1.7 | 103.6 | 160 | -66.1 | -83.1 | 0 | 0 | 0 | 112.4 | ||||
| 405 | V | 31.8 | Very low | 46.6 | Very low | 98 Ų | 98 | 86.5 Ų | 86.5 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | trans | -132.9 | 111.9 | 158.9 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 406 | C | 29.5 | Very low | 46.1 | Very low | 104 Ų | 104 | 81.6 Ų | 81.6 | 70% | 0.703 | 45% | 0.448 | S | S | * | . | trans | -65.5 | 110.2 | 169 | -139 | 0 | 0 | 0 | 0 | 110.3 | Y318 | Y318-C406 PolarHBondContact OH-SG 3.13Š| ||
| 407 | L | 32.8 | Very low | 45.5 | Very low | 89 Ų | 89 | 83.4 Ų | 83.4 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | trans | -122.5 | 120.7 | 160.5 | -86.1 | 146.6 | 0 | 0 | 0 | 108.9 | D337 | D337-L407 HydrophobicContact CB-CD1 4.23Å; D337-L407 WeakPolarHBondContact OD1-CD1 3.27Å | ||
| 408 | A | 31.4 | Very low | 44.4 | Very low | 75 Ų | 75 | 88.8 Ų | 88.8 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | trans | -54.8 | 122 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K291 | K291-A408 WeakPolarHBondContact CD-O 3.22Å; K291-A408 WeakPolarHBondContact CE-O 3.31Å; K291-A408 PolarHBondContact NZ-O 3.43Å | ||
| 409 | I | 36 | Very low | 43.5 | Very low | 69 Ų | 69 | 89.4 Ų | 89.4 | 35% | 0.354 | 49% | 0.485 | S | S | . | . | trans | -91.7 | 114.3 | -176.6 | -59.1 | 170.8 | 0 | 0 | 0 | 107.2 | ||||
| 410 | P | 35.2 | Very low | 42.4 | Very low | 60 Ų | 60 | 90.6 Ų | 90.6 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | trans | -75.2 | 118.6 | 167.7 | 9.4 | 3.7 | 0 | 0 | 0 | 109.3 | K291 | K291-P410 HydrophobicContact CB-CG 3.57Å; K291-P410 HydrophobicContact CD-CB 4.13Å; K291-P410 HydrophobicContact CD-CG 2.77Å; K291-P410 HydrophobicContact CG-CG 3.56Å | ||
| 411 | T | 40 | Very low | 41.4 | Very low | 98 Ų | 98 | 91.8 Ų | 91.8 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | trans | -60.7 | 115.3 | 178.3 | 35.8 | 0 | 0 | 0 | 0 | 108.8 | F413 | T411-F413 PolarHBondContact O-N 3.15Š| ||
| 412 | L | 42.5 | Very low | 40.7 | Very low | 51 Ų | 51 | 95.1 Ų | 95.1 | 27% | 0.267 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -20.8 | 170.3 | -136.4 | 101.1 | 0 | 0 | 0 | 108.2 | P294 E311 S414 A415 I416 | P294-L412 HydrophobicContact CB-CB 3.88Å; P294-L412 HydrophobicContact CB-CD1 4.25Å; P294-L412 HydrophobicContact CB-CG 4.49Å; P294-L412 HydrophobicContact CG-CB 2.88Å; P294-L412 HydrophobicContact CG-CD1 3.23Å; P294-L412 HydrophobicContact CG-CD2 4.36Å; P294-L412 HydrophobicContact CG-CG 3.53Å; P294-L412 VanDerWaalsContact O-CD1 3.27Å; P294-L412 WeakPolarHBondContact O-CD1 3.49Å; E311-L412 VanDerWaalsContact OE1-CB 3.27Å; E311-L412 WeakPolarHBondContact OE1-CB 3.27Å; E311-L412 PolarHBondContact OE1-N 2.93Å; L412-S414 PolarHBondContact O-N 3.08Å; L412-A415 PolarHBondContact O-N 3.48Å; L412-I416 HydrophobicContact CD2-CD1 3.57Å; L412-I416 HydrophobicContact CD2-CG1 4.15Å; L412-I416 WeakPolarHBondContact O-CG1 3.49Å; L412-I416 PolarHBondContact O-N 3.22Å |
| 413 | F | 42.4 | Very low | 40.4 | Very low | 114 Ų | 114 | 92.2 Ų | 92.2 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -26.8 | 178.2 | -159.6 | -99 | 0 | 0 | 0 | 110.4 | I179 T411 S417 | I179-F413 HydrophobicContact CB-CD2 4.47Å; I179-F413 HydrophobicContact CB-CE2 4.41Å; I179-F413 HydrophobicContact CG2-CD2 4.26Å; T411-F413 PolarHBondContact O-N 3.15Å; F413-S417 WeakPolarHBondContact O-CB 3.11Å; F413-S417 PolarHBondContact O-N 3.45Å; F413-S417 PolarHBondContact O-OG 3.35Å |
| 414 | S | 44.9 | Very low | 40.5 | Very low | 56 Ų | 56 | 89.7 Ų | 89.7 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.8 | -27 | 176.4 | 164.6 | 0 | 0 | 0 | 0 | 110.3 | L412 K418 | L412-S414 PolarHBondContact O-N 3.08Å; S414-K418 WeakPolarHBondContact O-CB 3.35Å; S414-K418 WeakPolarHBondContact O-CD 3.36Å; S414-K418 WeakPolarHBondContact O-CG 3.2Å; S414-K418 PolarHBondContact O-N 3.1Å; S414-K418 VanDerWaalsContact O-N 3.13Å; S414-K418 WeakPolarHBondContact OG-CE 3.48Å |
| 415 | A | 44.2 | Very low | 40.8 | Very low | 47 Ų | 47 | 82.2 Ų | 82.2 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -86.2 | -30.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109 | L412 I419 | L412-A415 PolarHBondContact O-N 3.48Å; A415-I419 WeakPolarHBondContact O-CB 3.27Å; A415-I419 WeakPolarHBondContact O-CD1 3.41Å; A415-I419 WeakPolarHBondContact O-CG1 2.88Å; A415-I419 PolarHBondContact O-N 3.22Å |
| 416 | I | 50.1 | Low | 41.2 | Very low | 67 Ų | 67 | 83.9 Ų | 83.9 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -81.9 | -35.6 | -179 | -66.8 | 174.7 | 0 | 0 | 0 | 108.3 | M223 L412 K418 I419 S420 | M223-I416 HydrophobicContact CE-CD1 4.45Å; L412-I416 HydrophobicContact CD2-CD1 3.57Å; L412-I416 HydrophobicContact CD2-CG1 4.15Å; L412-I416 WeakPolarHBondContact O-CG1 3.49Å; L412-I416 PolarHBondContact O-N 3.22Å; I416-K418 VanDerWaalsContact C-N 3.32Å; I416-I419 PolarHBondContact O-N 2.46Å; I416-S420 VanDerWaalsContact O-CB 3.23Å; I416-S420 WeakPolarHBondContact O-CB 2.98Å; I416-S420 PolarHBondContact O-N 3.23Å |
| 417 | S | 48.2 | Very low | 41.8 | Very low | 58 Ų | 58 | 85.6 Ų | 85.6 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -33.2 | 173.6 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | F413 A421 | F413-S417 WeakPolarHBondContact O-CB 3.11Å; F413-S417 PolarHBondContact O-N 3.45Å; F413-S417 PolarHBondContact O-OG 3.35Å; S417-A421 WeakPolarHBondContact O-CB 3.49Å; S417-A421 PolarHBondContact O-N 3.22Å |
| 418 | K | 46.2 | Very low | 42.2 | Very low | 128 Ų | 128 | 89.8 Ų | 89.8 | 56% | 0.557 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -77 | -33.7 | -179.9 | -80.9 | -175.9 | -177.4 | 177.8 | 0 | 109.6 | S414 I416 R422 | S414-K418 WeakPolarHBondContact O-CB 3.35Å; S414-K418 WeakPolarHBondContact O-CD 3.36Å; S414-K418 WeakPolarHBondContact O-CG 3.2Å; S414-K418 PolarHBondContact O-N 3.1Å; S414-K418 VanDerWaalsContact O-N 3.13Å; S414-K418 WeakPolarHBondContact OG-CE 3.48Å; I416-K418 VanDerWaalsContact C-N 3.32Å; K418-R422 WeakPolarHBondContact O-CA 3.45Å; K418-R422 WeakPolarHBondContact O-CB 3.43Å; K418-R422 WeakPolarHBondContact O-CG 3.45Å; K418-R422 PolarHBondContact O-N 3.09Å |
| 419 | I | 47 | Very low | 42.5 | Very low | 99 Ų | 99 | 92.7 Ų | 92.7 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -79.9 | -33.2 | -179.3 | -68.2 | 170.3 | 0 | 0 | 0 | 108.1 | A415 I416 R422 C423 | A415-I419 WeakPolarHBondContact O-CB 3.27Å; A415-I419 WeakPolarHBondContact O-CD1 3.41Å; A415-I419 WeakPolarHBondContact O-CG1 2.88Å; A415-I419 PolarHBondContact O-N 3.22Å; I416-I419 PolarHBondContact O-N 2.46Å; I419-R422 PolarHBondContact O-N 3.29Å; I419-C423 VanDerWaalsContact O-CB 3.29Å; I419-C423 WeakPolarHBondContact O-CB 3.31Å; I419-C423 PolarHBondContact O-N 3.42Å; I419-C423 PolarHBondContact O-SG 3.46Å |
| 420 | S | 45.3 | Very low | 42.4 | Very low | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.1 | -37.6 | 176.8 | -136.3 | 0 | 0 | 0 | 0 | 109.3 | I416 R422 L424 | I416-S420 VanDerWaalsContact O-CB 3.23Å; I416-S420 WeakPolarHBondContact O-CB 2.98Å; I416-S420 PolarHBondContact O-N 3.23Å; S420-R422 VanDerWaalsContact C-N 3.33Å; S420-L424 WeakPolarHBondContact O-CB 3.04Å; S420-L424 WeakPolarHBondContact O-CD1 3.3Å; S420-L424 WeakPolarHBondContact O-CG 3.37Å; S420-L424 PolarHBondContact O-N 2.95Å |
| 421 | A | 44.3 | Very low | 42.3 | Very low | 57 Ų | 57 | 99.4 Ų | 99.4 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72 | -30 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S417 S425 | S417-A421 WeakPolarHBondContact O-CB 3.49Å; S417-A421 PolarHBondContact O-N 3.22Å; A421-S425 WeakPolarHBondContact O-CB 2.95Å; A421-S425 PolarHBondContact O-N 3.17Å; A421-S425 PolarHBondContact O-OG 3.3Å |
| 422 | R | 43.2 | Very low | 42 | Very low | 166 Ų | 166 | 104.2 Ų | 104.2 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -81.5 | -29.9 | 178.8 | -99.9 | -177.8 | -165.4 | 173.7 | -2.5 | 112.3 | K418 I419 S420 L424 S425 E426 | K418-R422 WeakPolarHBondContact O-CA 3.45Å; K418-R422 WeakPolarHBondContact O-CB 3.43Å; K418-R422 WeakPolarHBondContact O-CG 3.45Å; K418-R422 PolarHBondContact O-N 3.09Å; I419-R422 PolarHBondContact O-N 3.29Å; S420-R422 VanDerWaalsContact C-N 3.33Å; R422-L424 VanDerWaalsContact C-N 3.27Å; R422-S425 VanDerWaalsContact CA-OG 3.25Å; R422-S425 WeakPolarHBondContact CA-OG 2.88Å; R422-S425 PolarHBondContact O-OG 3.31Å; R422-E426 WeakPolarHBondContact O-CB 2.63Å; R422-E426 WeakPolarHBondContact O-CG 2.52Å; R422-E426 PolarHBondContact O-N 3.49Å |
| 423 | C | 41.2 | Very low | 41.6 | Very low | 67 Ų | 67 | 107.2 Ų | 107.2 | 45% | 0.453 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.7 | -22.5 | 176.7 | -77.2 | 0 | 0 | 0 | 0 | 107.5 | I419 | I419-C423 VanDerWaalsContact O-CB 3.29Å; I419-C423 WeakPolarHBondContact O-CB 3.31Å; I419-C423 PolarHBondContact O-N 3.42Å; I419-C423 PolarHBondContact O-SG 3.46Å |
| 424 | L | 40.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 108.7 Ų | 108.7 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -92.3 | -24.5 | 176.1 | -80.3 | 153.3 | 0 | 0 | 0 | 110.4 | S420 R422 | S420-L424 WeakPolarHBondContact O-CB 3.04Å; S420-L424 WeakPolarHBondContact O-CD1 3.3Å; S420-L424 WeakPolarHBondContact O-CG 3.37Å; S420-L424 PolarHBondContact O-N 2.95Å; R422-L424 VanDerWaalsContact C-N 3.27Å |
| 425 | S | 40.8 | Very low | 40.3 | Very low | 47 Ų | 47 | 112.3 Ų | 112.3 | 33% | 0.329 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -90.7 | -20.8 | -179.7 | 66.9 | 0 | 0 | 0 | 0 | 109.2 | A421 R422 N427 K428 N429 | A421-S425 WeakPolarHBondContact O-CB 2.95Å; A421-S425 PolarHBondContact O-N 3.17Å; A421-S425 PolarHBondContact O-OG 3.3Å; R422-S425 VanDerWaalsContact CA-OG 3.25Å; R422-S425 WeakPolarHBondContact CA-OG 2.88Å; R422-S425 PolarHBondContact O-OG 3.31Å; S425-N427 VanDerWaalsContact C-N 3.29Å; S425-K428 PolarHBondContact O-N 2.78Å; S425-N429 WeakPolarHBondContact O-CB 3.42Å; S425-N429 PolarHBondContact O-N 2.86Å |
| 426 | E | 39.9 | Very low | 39.7 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -8.2 | 178 | -88.4 | 179.6 | 179.6 | 0 | 0 | 109 | R422 | R422-E426 WeakPolarHBondContact O-CB 2.63Å; R422-E426 WeakPolarHBondContact O-CG 2.52Å; R422-E426 PolarHBondContact O-N 3.49Å |
| 427 | N | 41.2 | Very low | 38.9 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -4.3 | 172.6 | -90.5 | -15.9 | 0 | 0 | 0 | 109.8 | S425 | S425-N427 VanDerWaalsContact C-N 3.29Š|
| 428 | K | 40.7 | Very low | 38.1 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -3.7 | 178.3 | -90.2 | -176.3 | 179.8 | 176.8 | 0 | 112 | S425 | S425-K428 PolarHBondContact O-N 2.78Š|
| 429 | N | 38.3 | Very low | 37.6 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -121.4 | 17 | -178.9 | -75.6 | -16.8 | 0 | 0 | 0 | 110.1 | S425 | S425-N429 WeakPolarHBondContact O-CB 3.42Å; S425-N429 PolarHBondContact O-N 2.86Å |
| 430 | S | 34.9 | Very low | 36.7 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -115.4 | 35 | 174.2 | 86.3 | 0 | 0 | 0 | 0 | 108.2 | ||
| 431 | M | 31.4 | Very low | 36 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 85% | 0.852 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -148.5 | 58.3 | 168.2 | -116.6 | 179.3 | 172.8 | 0 | 0 | 108.5 | ||
| 432 | K | 34.1 | Very low | 35.3 | Very low | 200 Ų | 200 | 128.1 Ų | 128.1 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -172.5 | 82.1 | 160.7 | -95.3 | -179.6 | -178.8 | 177.6 | 0 | 111.6 | ||
| 433 | S | 34.1 | Very low | 34.7 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | 138.6 | 98.2 | 126.7 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 434 | N | 32.2 | Very low | 33.9 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | 48.7 | 110.1 | 106.3 | -77.2 | -28.4 | 0 | 0 | 0 | 112.5 | |||||
| 435 | L | 29.1 | Very low | 33.4 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | 106.9 | 102.1 | 108.1 | -96.4 | 138.3 | 0 | 0 | 0 | 109.9 | |||||
| 436 | N | 31.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | 114.6 | 96.4 | 120.6 | -78.4 | -17.8 | 0 | 0 | 0 | 110 | |||||
| 437 | S | 33.3 | Very low | 32 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 164.5 | 91.1 | 129.3 | 57.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 438 | H | 31.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -52.7 | 159.9 | 144.8 | -95.6 | -65.4 | 0 | 0 | 0 | 113.1 | ||||
| 439 | P | 34.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | cis | -162.9 | 145.5 | 33 | 28.9 | -4.5 | 0 | 0 | 0 | 111.6 | ||||
| 440 | S | 29.5 | Very low | 30 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | 94 | 118.3 | 100.3 | 75.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 441 | S | 31 | Very low | 29.5 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | 151.4 | 102.2 | 103.4 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 442 | G | 28.7 | Very low | 29.2 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | S | Bend | -171.7 | 87 | 126 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||
| 443 | E | 29.5 | Very low | 28.8 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | 74.1 | 87.5 | 115.3 | -94.4 | -176.1 | 176.8 | 0 | 0 | 110.9 | |||||
| 444 | F | 25 | Very low | 28.4 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | trans | -58.8 | 96.8 | 147.3 | -83.9 | -82.2 | 0 | 0 | 0 | 109.9 | ||||
| 445 | K | 29.9 | Very low | 28.1 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 91.7 | 154.4 | -96 | -178.5 | -177.7 | -179.4 | 0 | 109.3 | ||||
| 446 | N | 25.3 | Very low | 27.8 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -15.7 | 90.1 | 132.5 | -80.7 | -23.5 | 0 | 0 | 0 | 111.2 | ||||
| 447 | L | 26.6 | Very low | 27.5 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -102.8 | 87.7 | 153.2 | -91.2 | 146.7 | 0 | 0 | 0 | 109.3 | ||||
| 448 | D | 24.6 | Very low | 27.3 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -21.3 | 86.4 | 130.9 | -109.5 | -6.6 | 0 | 0 | 0 | 111.2 | ||||
| 449 | L | 27.3 | Very low | 26.9 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -116.8 | 90.4 | 153.5 | -76.4 | 159.9 | 0 | 0 | 0 | 109.7 | ||||
| 450 | S | 26.8 | Very low | 26.4 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | 39 | 93.8 | 114.3 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | S452 | S450-S452 PolarHBondContact O-N 3.32Š| |||
| 451 | E | 23.6 | Very low | 26.3 | Very low | 175 Ų | 175 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 21.5 | 88.2 | 124.7 | -96 | 177.4 | -178.7 | 0 | 0 | 109.6 | |||||
| 452 | S | 25 | Very low | 26.1 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -129.1 | 91.6 | 153.3 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | S450 | S450-S452 PolarHBondContact O-N 3.32Š| ||
| 453 | H | 26 | Very low | 26 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 30.1 | 77 | 120.5 | -71.8 | -69 | 0 | 0 | 0 | 110.6 | L455 | H453-L455 PolarHBondContact O-N 3.18Š| |||
| 454 | I | 25.7 | Very low | 25.7 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 85.6 | 153 | -64.4 | 171.5 | 0 | 0 | 0 | 106.3 | E456 | I454-E456 PolarHBondContact O-N 2.42Š| ||
| 455 | L | 26.6 | Very low | 25.7 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -37.8 | 93 | 158.6 | -90.2 | 155.3 | 0 | 0 | 0 | 111.4 | H453 | H453-L455 PolarHBondContact O-N 3.18Š| ||
| 456 | E | 23 | Very low | 25.5 | Very low | 140 Ų | 140 | 140 Ų | 140 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | -18.2 | 96.8 | 120.8 | -88.1 | -175.3 | 178.8 | 0 | 0 | 109.9 | I454 L909 | I454-E456 PolarHBondContact O-N 2.42Å; E456-L909 WeakPolarHBondContact OE1-CD1 3.34Å | |||
| 457 | A | 24.7 | Very low | 25.4 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -161.4 | 88 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 458 | S | 27.5 | Very low | 25.2 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | 141.3 | 75.9 | 104.5 | -72.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 459 | L | 24 | Very low | 25.2 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | -13.1 | 102.9 | 108.3 | -81.9 | 159.9 | 0 | 0 | 0 | 109.7 | |||||
| 460 | L | 23.6 | Very low | 25 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 119.8 | 95.3 | 130.9 | -77.9 | 162.3 | 0 | 0 | 0 | 109.1 | ||||
| 461 | S | 28 | Very low | 24.9 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | -167.9 | 102 | 126.3 | -28.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 462 | E | 26.1 | Very low | 24.9 | Very low | 147 Ų | 147 | 140 Ų | 140 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | 102.6 | 97.3 | 75.6 | -97.3 | -176.5 | 177.5 | 0 | 0 | 110 | |||||
| 463 | E | 26.5 | Very low | 24.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 80.7 | 113.1 | 101.5 | -100.3 | 178.2 | 178.9 | 0 | 0 | 109.5 | |||||
| 464 | G | 24.8 | Very low | 24.9 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | 143.2 | 86.2 | 113.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 465 | V | 24.1 | Very low | 24.8 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | 172.6 | 103.4 | 104.8 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | T467 | V465-T467 HydrophobicContact CG1-CG2 4.33Š| |||
| 466 | K | 25.6 | Very low | 24.9 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | -16.8 | 114.7 | 122.4 | -83.6 | -176.2 | -177.4 | -179.3 | 0 | 111.4 | |||||
| 467 | T | 23.4 | Very low | 24.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | -145.6 | 110.7 | 122.1 | 40.6 | 0 | 0 | 0 | 0 | 110.1 | V465 | V465-T467 HydrophobicContact CG1-CG2 4.33Š| |||
| 468 | L | 22.5 | Very low | 24.8 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 61% | 0.607 | 79% | 0.788 | S | S | * | * | 31.5 | 105.5 | 113 | -114.8 | 118.9 | 0 | 0 | 0 | 111.5 | |||||
| 469 | Y | 24 | Very low | 24.5 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | -141.6 | 104.1 | 125.1 | -100.2 | -85.8 | 0 | 0 | 0 | 110.6 | |||||
| 470 | Q | 23.3 | Very low | 24.5 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | -8.6 | 108.1 | 115 | -100.3 | 177.4 | 1.8 | 0 | 0 | 111.6 | |||||
| 471 | N | 24.4 | Very low | 24.5 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | 69.1 | 118.5 | 114.2 | -88.1 | -11.2 | 0 | 0 | 0 | 110.7 | |||||
| 472 | S | 25.2 | Very low | 24.3 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | 167.7 | 98.3 | 124.2 | 44.1 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 473 | G | 23.5 | Very low | 24.4 | Very low | 84 Ų | 84 | 151.5 Ų | 151.5 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | 57.5 | 100.7 | 115.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 474 | G | 25.8 | Very low | 24.4 | Very low | 73 Ų | 73 | 151.4 Ų | 151.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 136.5 | 102.3 | 130.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 475 | R | 24.2 | Very low | 24.4 | Very low | 243 Ų | 243 | 154.9 Ų | 154.9 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | 37.8 | 101 | 121.7 | -91.5 | -165.6 | -165.9 | -172.1 | -0.5 | 111.2 | |||||
| 476 | H | 28.2 | Very low | 24.6 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -173 | 100.5 | 138.5 | -97 | -48.4 | 0 | 0 | 0 | 110.6 | ||||
| 477 | C | 22 | Very low | 24.8 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -26.2 | 117.4 | 135.2 | -95.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 478 | Y | 23.7 | Very low | 25.1 | Very low | 210 Ų | 210 | 156 Ų | 156 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | 179.8 | 127.8 | 124.9 | -69.5 | -81 | 0 | 0 | 0 | 111.2 | |||||
| 479 | R | 22.3 | Very low | 25.4 | Very low | 235 Ų | 235 | 156.3 Ų | 156.3 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | 100.6 | 106.6 | 94.9 | -151.9 | 175.2 | -156.5 | -177 | -2.3 | 110.4 | |||||
| 480 | I | 22.5 | Very low | 25.7 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -23.8 | 117.8 | 149.3 | -57.1 | 174.1 | 0 | 0 | 0 | 109.4 | ||||
| 481 | T | 24.2 | Very low | 26 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -149.5 | 103.7 | 139.7 | 40.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 482 | S | 24.2 | Very low | 26.3 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | 0.5 | 100.6 | 129.6 | -85.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 483 | E | 27.9 | Very low | 26.6 | Very low | 171 Ų | 171 | 158.9 Ų | 158.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -160.9 | 97.7 | 148.1 | -90 | -177.7 | 179.9 | 0 | 0 | 109.8 | ||||
| 484 | Q | 26.4 | Very low | 26.9 | Very low | 171 Ų | 171 | 160.4 Ų | 160.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | 88.7 | 90.8 | 111 | -95.8 | 179.6 | -8.9 | 0 | 0 | 111.2 | |||||
| 485 | L | 25.7 | Very low | 27.2 | Very low | 138 Ų | 138 | 163.1 Ų | 163.1 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | 56.5 | 106.3 | 125.1 | -84.1 | 154.8 | 0 | 0 | 0 | 110.8 | E487 | L485-E487 HydrophobicContact CD2-CB 4.45Å; L485-E487 HydrophobicContact CD2-CG 3.42Å; L485-E487 VanDerWaalsContact CD2-CG 3.42Å | |||
| 486 | D | 28.2 | Very low | 27.6 | Very low | 165 Ų | 165 | 163.5 Ų | 163.5 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | -125 | 85.8 | 127.7 | -103.4 | -12.5 | 0 | 0 | 0 | 110.5 | E488 | D486-E488 VanDerWaalsContact C-N 3.35Š| |||
| 487 | E | 28.4 | Very low | 27.5 | Very low | 134 Ų | 134 | 164.5 Ų | 164.5 | 63% | 0.626 | 82% | 0.818 | S | S | * | * | trans | -16.3 | 72.2 | 130.6 | -84.3 | -157.7 | 172.1 | 0 | 0 | 110.9 | L485 | L485-E487 HydrophobicContact CD2-CB 4.45Å; L485-E487 HydrophobicContact CD2-CG 3.42Å; L485-E487 VanDerWaalsContact CD2-CG 3.42Å | ||
| 488 | E | 29.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 167.2 Ų | 167.2 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -179.6 | 64.9 | 159.3 | -91.2 | -177.1 | 178.7 | 0 | 0 | 109.4 | D486 | D486-E488 VanDerWaalsContact C-N 3.35Š| ||
| 489 | S | 30.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 164.6 Ų | 164.6 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -152.9 | 47.2 | 155.9 | -38 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 490 | F | 30.3 | Very low | 28.3 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -115.1 | 128.7 | 161.8 | -84.4 | -80.3 | 0 | 0 | 0 | 108.8 | R492 | F490-R492 PolarHBondContact O-N 2.54Š|
| 491 | P | 28.1 | Very low | 28.6 | Very low | 133 Ų | 133 | 158.6 Ų | 158.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -60.9 | 86.2 | 172 | 18.3 | 1.4 | 0 | 0 | 0 | 107.9 | ||||
| 492 | R | 30.5 | Very low | 28.8 | Very low | 210 Ų | 210 | 159 Ų | 159 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -68.8 | 102.9 | 170.7 | -95.8 | -175.9 | -161.5 | -148.8 | 2.1 | 109.2 | F490 | F490-R492 PolarHBondContact O-N 2.54Š| ||
| 493 | E | 32 | Very low | 29 | Very low | 183 Ų | 183 | 164.4 Ų | 164.4 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -19.4 | 127.4 | 142 | -95.4 | -178.8 | -179.9 | 0 | 0 | 111.3 | ||||
| 494 | P | 30.2 | Very low | 29 | Very low | 115 Ų | 115 | 161.8 Ų | 161.8 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | trans | -65.4 | 129.7 | -174.9 | 16.6 | 3.2 | 0 | 0 | 0 | 108.9 | R496 | P494-R496 PolarHBondContact O-N 3.43Š| ||
| 495 | P | 31.5 | Very low | 29 | Very low | 131 Ų | 131 | 156.9 Ų | 156.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -67.2 | 109.5 | 173.4 | 17.6 | -0.2 | 0 | 0 | 0 | 107.7 | ||||
| 496 | R | 32 | Very low | 29.2 | Very low | 251 Ų | 251 | 159.4 Ų | 159.4 | 95% | 0.947 | 82% | 0.819 | S | S | * | * | trans | -65.3 | 101.2 | 160.6 | -88.2 | -175.2 | -171.9 | 168 | -2 | 109.6 | P494 | P494-R496 PolarHBondContact O-N 3.43Š| ||
| 497 | K | 26.9 | Very low | 29.3 | Very low | 204 Ų | 204 | 156.8 Ų | 156.8 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -54.4 | 110 | 149.9 | -88.2 | -173.1 | -175.5 | 179.9 | 0 | 110.2 | ||||
| 498 | L | 29.7 | Very low | 29.3 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -139.1 | 102.4 | 140.6 | -102.4 | 140.6 | 0 | 0 | 0 | 109.2 | ||||
| 499 | N | 28.8 | Very low | 29.4 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | 38.5 | 112.9 | 107.4 | -85.3 | -4.3 | 0 | 0 | 0 | 112.2 | |||||
| 500 | G | 27.1 | Very low | 29.4 | Very low | 62 Ų | 62 | 152.2 Ų | 152.2 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | 111.7 | 100.4 | 103 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 501 | F | 28.7 | Very low | 29.5 | Very low | 205 Ų | 205 | 149.4 Ų | 149.4 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | -147.8 | 98.4 | 122.9 | -102.3 | -82.1 | 0 | 0 | 0 | 109.3 | |||||
| 502 | I | 27.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | 52.7 | 107.8 | 108.5 | -59 | 178.5 | 0 | 0 | 0 | 110 | |||||
| 503 | R | 28.5 | Very low | 29.6 | Very low | 228 Ų | 228 | 144.7 Ų | 144.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | 177.1 | 106.7 | 111.7 | -100.4 | -173.1 | -178.3 | -173 | 1.2 | 108.2 | |||||
| 504 | S | 27.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | 116.5 | 102.3 | 103.6 | -0.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 505 | G | 27.5 | Very low | 29.3 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | 128.7 | 92.9 | 108 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 506 | E | 29.6 | Very low | 29.2 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | 118.1 | 102.6 | 116.5 | -83.1 | -178.2 | 179.2 | 0 | 0 | 110.6 | |||||
| 507 | S | 28.9 | Very low | 29.2 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | 109.4 | 109.1 | 102.8 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 508 | S | 29.8 | Very low | 29.4 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | 103.8 | 111.5 | 96.5 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 509 | D | 31.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | 118.9 | 110.1 | 103.2 | -83.7 | -16.8 | 0 | 0 | 0 | 110.7 | |||||
| 510 | N | 30.4 | Very low | 29.4 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | 102.6 | 112.8 | 98.5 | -76.7 | -14.4 | 0 | 0 | 0 | 110.5 | |||||
| 511 | N | 31.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | 116.9 | 111.6 | 100.7 | -86 | -20.1 | 0 | 0 | 0 | 111.2 | |||||
| 512 | L | 28.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 63% | 0.634 | 74% | 0.741 | S | S | * | * | 103.5 | 114.8 | 96 | -101.1 | 139.6 | 0 | 0 | 0 | 111.5 | |||||
| 513 | N | 32.1 | Very low | 31 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | 128 | 112.7 | 97.8 | -79.6 | -19.1 | 0 | 0 | 0 | 112.2 | |||||
| 514 | Q | 29.4 | Very low | 31.2 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | 79.7 | 114.6 | 93 | -117.9 | 174.2 | 11.3 | 0 | 0 | 112 | |||||
| 515 | E | 28.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | 141.3 | 112.9 | 102 | -96.9 | 179.2 | -180 | 0 | 0 | 113.5 | |||||
| 516 | D | 28.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 155.3 | 90.9 | 111.1 | -84.3 | -18.9 | 0 | 0 | 0 | 110 | |||||
| 517 | T | 32.8 | Very low | 31.6 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -124.9 | 98.5 | 159.7 | -39.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 518 | Y | 30.2 | Very low | 31.5 | Very low | 228 Ų | 228 | 151 Ų | 151 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | trans | -27 | 90.8 | 142.4 | -77.5 | -78.9 | 0 | 0 | 0 | 111.4 | ||||
| 519 | N | 32.6 | Very low | 31.6 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | 21.2 | 89 | 120.2 | -100.5 | -5.4 | 0 | 0 | 0 | 113.1 | |||||
| 520 | Y | 26.7 | Very low | 31.4 | Very low | 206 Ų | 206 | 153 Ų | 153 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | -91.5 | 107.5 | 152.3 | -171.8 | -102.5 | 0 | 0 | 0 | 108.3 | ||||
| 521 | D | 41.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 155.7 Ų | 155.7 | 51% | 0.513 | 75% | 0.754 | S | S | . | * | trans | -74.2 | 104.2 | 174 | -171.7 | -3.5 | 0 | 0 | 0 | 109 | N523 | D521-N523 PolarHBondContact O-N 3.09Å; D521-N523 VanDerWaalsContact O-N 3.13Å; D521-N523 VanDerWaalsContact OD1-CB 3.3Å; D521-N523 WeakPolarHBondContact OD1-CB 3.4Å; D521-N523 PolarHBondContact OD1-N 3.14Å; D521-N523 VanDerWaalsContact OD1-N 3.12Å | ||
| 522 | P | 35.4 | Very low | 31 | Very low | 103 Ų | 103 | 155.8 Ų | 155.8 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 18.1 | 176.1 | 12.1 | 3.2 | 0 | 0 | 0 | 110.8 | ||
| 523 | N | 38.7 | Very low | 30.9 | Very low | 95 Ų | 95 | 155.9 Ų | 155.9 | 51% | 0.508 | 76% | 0.759 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.4 | 24 | -179.7 | -71.2 | -30.8 | 0 | 0 | 0 | 111.1 | D521 Y525 | D521-N523 PolarHBondContact O-N 3.09Å; D521-N523 VanDerWaalsContact O-N 3.13Å; D521-N523 VanDerWaalsContact OD1-CB 3.3Å; D521-N523 WeakPolarHBondContact OD1-CB 3.4Å; D521-N523 PolarHBondContact OD1-N 3.14Å; D521-N523 VanDerWaalsContact OD1-N 3.12Å; N523-Y525 VanDerWaalsContact C-N 3.29Å; N523-Y525 PolarHBondContact O-N 2.56Å |
| 524 | R | 33.9 | Very low | 30.6 | Very low | 208 Ų | 208 | 155 Ų | 155 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 4.7 | -174.3 | -162.8 | 177.9 | -135.9 | -148.4 | -7.5 | 107.7 | ||
| 525 | Y | 29.3 | Very low | 30.4 | Very low | 205 Ų | 205 | 152 Ų | 152 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 31.4 | 168.9 | -65.3 | -79.9 | 0 | 0 | 0 | 112.8 | N523 | N523-Y525 VanDerWaalsContact C-N 3.29Å; N523-Y525 PolarHBondContact O-N 2.56Å |
| 526 | R | 33 | Very low | 30.2 | Very low | 203 Ų | 203 | 149.2 Ų | 149.2 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -94.6 | 39.3 | 172.3 | -101.4 | -164.9 | -172.9 | 177.6 | 0.8 | 112.4 | ||||
| 527 | N | 29.7 | Very low | 30.1 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -144.4 | 79.1 | 166.2 | -74.2 | -21 | 0 | 0 | 0 | 108.7 | ||||
| 528 | F | 27.5 | Very low | 29.7 | Very low | 210 Ų | 210 | 148.6 Ų | 148.6 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -141.2 | 123.7 | 134.6 | -86.5 | -86.9 | 0 | 0 | 0 | 111.4 | ||
| 529 | P | 32 | Very low | 29.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -62.3 | 116.5 | -154.4 | 17.7 | 3.5 | 0 | 0 | 0 | 111.8 | ||||
| 530 | N | 26.9 | Very low | 29.3 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | -1 | 103.5 | 125.9 | -79.3 | -19.1 | 0 | 0 | 0 | 111.6 | |||||
| 531 | L | 29 | Very low | 29.2 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -127 | 91.6 | 148 | -113.5 | 110.5 | 0 | 0 | 0 | 110.9 | ||||
| 532 | I | 25.3 | Very low | 28.5 | Very low | 126 Ų | 126 | 141 Ų | 141 | 65% | 0.646 | 77% | 0.765 | S | S | * | * | -11.4 | 123.6 | 122.7 | -56.9 | 173.4 | 0 | 0 | 0 | 112.7 | |||||
| 533 | T | 25.6 | Very low | 28 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 127.7 | 123.3 | 103.1 | 36.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 534 | S | 26.3 | Very low | 27.4 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 112.3 | 118.5 | 101.9 | 149.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 535 | S | 25.2 | Very low | 27.2 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 73 | 124.1 | 111.5 | 26.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 536 | A | 24.3 | Very low | 27.1 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | 93.6 | 120.2 | 107 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 537 | S | 25.5 | Very low | 27.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 146.8 | 108.1 | 110.4 | 49 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 538 | V | 24.7 | Very low | 27.2 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -129.2 | 111.8 | 147.8 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 539 | L | 24.9 | Very low | 27.3 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -132.4 | 165.2 | 134.1 | -88.3 | 152.1 | 0 | 0 | 0 | 110.8 | ||||
| 540 | P | 30.1 | Very low | 26.9 | Very low | 91 Ų | 91 | 128 Ų | 128 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | -135.3 | 154.1 | -60.5 | 33.6 | -10.6 | 0 | 0 | 0 | 109 | |||||
| 541 | V | 23.8 | Very low | 26.9 | Very low | 119 Ų | 119 | 131 Ų | 131 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | 80.3 | 113.5 | 120 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 542 | N | 28.1 | Very low | 26.6 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 90% | 0.904 | 73% | 0.733 | S | S | * | * | trans | -144.8 | 106.3 | 144.9 | -104.9 | -2.9 | 0 | 0 | 0 | 110.7 | ||||
| 543 | R | 24.6 | Very low | 26.6 | Very low | 216 Ų | 216 | 126.2 Ų | 126.2 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | 7.4 | 123.6 | 123.2 | -86.1 | -168.9 | -170.5 | -178 | -0.2 | 113.6 | |||||
| 544 | T | 25.4 | Very low | 26.6 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | 120.3 | 121.9 | 107.7 | 37.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 545 | S | 30 | Very low | 26.6 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | 126.9 | 106.2 | 106 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 546 | T | 27.2 | Very low | 26.6 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | 17.1 | 169.1 | 130.5 | 46.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 547 | P | 35.2 | Very low | 26.5 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | -126.8 | 163.5 | -105.2 | 31.2 | -4.4 | 0 | 0 | 0 | 112 | |||||
| 548 | D | 28.7 | Very low | 26.4 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -179.9 | 124.4 | 145.3 | -105.6 | -9.6 | 0 | 0 | 0 | 113 | ||||
| 549 | T | 30.7 | Very low | 26.4 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | 129.2 | 119.8 | 100.1 | 25.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 550 | G | 24.2 | Very low | 26.3 | Very low | 32 Ų | 32 | 127 Ų | 127 | 33% | 0.33 | 74% | 0.736 | S | S | . | * | 85.3 | 116 | 101.8 | 0 | 0 | 0 | 0 | 0 | 129.9 | K796 | G550-K796 VanDerWaalsContact CA-CE 3.43Š| |||
| 551 | Y | 25.3 | Very low | 26 | Very low | 215 Ų | 215 | 131.9 Ų | 131.9 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | 173.5 | 121.4 | 128.4 | -87 | -82.1 | 0 | 0 | 0 | 109.1 | |||||
| 552 | T | 23.7 | Very low | 26.2 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 36% | 0.362 | 75% | 0.753 | S | S | . | * | trans | -76.8 | 136.5 | 146.5 | 42.5 | 0 | 0 | 0 | 0 | 121.8 | K796 D797 | T552-K796 HydrophobicContact CG2-CB 3.03Å; T552-K796 HydrophobicContact CG2-CD 3.38Å; T552-K796 HydrophobicContact CG2-CG 3.62Å; T552-D797 WeakPolarHBondContact CB-OD2 3.49Å; T552-D797 HydrophobicContact CG2-CB 3.76Å; T552-D797 WeakPolarHBondContact CG2-OD1 3.09Å; T552-D797 WeakPolarHBondContact CG2-OD2 3.45Å | ||
| 553 | V | 26 | Very low | 25.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | trans | -135.6 | 106.8 | 152.2 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 554 | N | 24 | Very low | 26 | Very low | 119 Ų | 119 | 125 Ų | 125 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -39.8 | 122.7 | 141.1 | -112 | -11.2 | 0 | 0 | 0 | 113.3 | D798 | N554-D798 PolarHBondContact ND2-OD2 2.83Š| ||
| 555 | V | 27.5 | Very low | 26 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -146.1 | 97.6 | 145.8 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 556 | G | 24.1 | Very low | 25.7 | Very low | 59 Ų | 59 | 128.1 Ų | 128.1 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | -1.3 | 129.5 | 124.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 557 | S | 22.3 | Very low | 25.5 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 41.8 | 119.5 | 131.4 | 26.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 558 | K | 23.8 | Very low | 25 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | 114.5 | 105.7 | 130.6 | -98.6 | -176.2 | -175.4 | 178.2 | 0 | 109.5 | ||||
| 559 | A | 24.3 | Very low | 24.8 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 138.8 | 103.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 560 | V | 24.3 | Very low | 24.4 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | 126.7 | 92.7 | 113.5 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 561 | F | 23.2 | Very low | 24.4 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -9.2 | 154.4 | 140 | -90.4 | -84.2 | 0 | 0 | 0 | 111.7 | ||||
| 562 | P | 26.7 | Very low | 24.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -159.7 | 141.5 | 73.8 | 30.3 | -3.8 | 0 | 0 | 0 | 110.3 | |||||
| 563 | G | 23.7 | Very low | 24.4 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | 83.4 | 111 | 110.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 564 | I | 26.1 | Very low | 24.7 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | -170.7 | 90.2 | 121.3 | -62.8 | 165.4 | 0 | 0 | 0 | 112.1 | |||||
| 565 | H | 24.6 | Very low | 25.3 | Very low | 184 Ų | 184 | 139 Ų | 139 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | 9.2 | 99.9 | 113.2 | -89.3 | -46.9 | 0 | 0 | 0 | 109.5 | |||||
| 566 | S | 24.8 | Very low | 26 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -128.4 | 90.6 | 142.3 | 59.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 567 | R | 22.9 | Very low | 27.4 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | 3.2 | 91.9 | 118.8 | -103.5 | -178.5 | -178.2 | -178.4 | 2.9 | 112 | |||||
| 568 | C | 24.2 | Very low | 29.1 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | -134.4 | 91.1 | 149.4 | -85.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 569 | D | 24.7 | Very low | 30.7 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | 68.5 | 97.3 | 103.8 | -76.7 | -20.4 | 0 | 0 | 0 | 111 | |||||
| 570 | I | 22 | Very low | 32.6 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 84% | 0.841 | 69% | 0.691 | S | S | * | * | 9.9 | 89.5 | 124.4 | -56.6 | 173.8 | 0 | 0 | 0 | 110.2 | |||||
| 571 | I | 24.4 | Very low | 34.8 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | 179 | 87.7 | 149.6 | -66.2 | 164.5 | 0 | 0 | 0 | 111.5 | ||||
| 572 | D | 25.1 | Very low | 37 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | trans | 134.1 | 81.3 | 132.1 | -107.7 | -11.2 | 0 | 0 | 0 | 110.3 | T574 | D572-T574 PolarHBondContact O-N 2.82Š| ||
| 573 | I | 24.6 | Very low | 39 | Very low | 178 Ų | 178 | 117 Ų | 117 | 91% | 0.913 | 62% | 0.624 | S | S | * | * | trans | -44 | 79 | 156.9 | -60.9 | 171.2 | 0 | 0 | 0 | 107.7 | ||||
| 574 | T | 31 | Very low | 40.8 | Very low | 50 Ų | 50 | 115.1 Ų | 115.1 | 31% | 0.307 | 60% | 0.599 | S | S | . | * | trans | -111.8 | 84.8 | 161.5 | -23.5 | 0 | 0 | 0 | 0 | 107.1 | D572 H576 L745 | D572-T574 PolarHBondContact O-N 2.82Å; T574-H576 PolarHBondContact O-CD2 2.69Å; T574-H576 PolarHBondContact O-N 2.76Å; T574-L745 HydrophobicContact CG2-CD1 4.19Å; T574-L745 HydrophobicContact CG2-CD2 4.28Å | ||
| 575 | M | 36.4 | Very low | 43.1 | Very low | 151 Ų | 151 | 109.3 Ų | 109.3 | 74% | 0.744 | 57% | 0.572 | S | S | * | * | trans | -23.2 | 89.1 | 159.9 | -89.7 | -154.8 | 100.9 | 0 | 0 | 108.8 | F577 | M575-F577 HydrophobicContact CB-CE2 4.48Å; M575-F577 PolarHBondContact O-N 3.12Å | ||
| 576 | H | 43.4 | Very low | 45.3 | Very low | 140 Ų | 140 | 102.9 Ų | 102.9 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | trans | -68.1 | 84.3 | -177.2 | -84.5 | -65 | 0 | 0 | 0 | 107.1 | T574 H578 P579 | T574-H576 PolarHBondContact O-CD2 2.69Å; T574-H576 PolarHBondContact O-N 2.76Å; H576-H578 PolarHBondContact O-N 2.89Å; H576-P579 WeakPolarHBondContact O-CD 2.42Å | ||
| 577 | F | 53.1 | Low | 47.4 | Very low | 38 Ų | 38 | 102.3 Ų | 102.3 | 17% | 0.167 | 53% | 0.532 | C | S | . | . | trans | -54.3 | 2.9 | 164.7 | -71.8 | -77 | 0 | 0 | 0 | 110.8 | M575 I580 L581 L746 N749 L1101 | M575-F577 HydrophobicContact CB-CE2 4.48Å; M575-F577 PolarHBondContact O-N 3.12Å; F577-I580 PolarHBondContact O-N 3Å; F577-L581 HydrophobicContact CB-CD1 3.57Å; F577-L581 HydrophobicContact CB-CG 3.95Å; F577-L581 VanDerWaalsContact O-CB 3.26Å; F577-L581 WeakPolarHBondContact O-CB 3.41Å; F577-L581 WeakPolarHBondContact O-CG 3.43Å; F577-L581 PolarHBondContact O-N 2.52Å; F577-L746 HydrophobicContact CD1-CD1 4.11Å; F577-L746 HydrophobicContact CD2-CD1 4.18Å; F577-L746 HydrophobicContact CE1-CD1 4.32Å; F577-L746 HydrophobicContact CE2-CD1 4.35Å; F577-L746 HydrophobicContact CG-CD1 4.03Å; F577-L746 HydrophobicContact CZ-CD1 4.41Å; F577-N749 HydrophobicContact CB-CB 4.23Å; F577-N749 WeakPolarHBondContact CD2-ND2 3.11Å; F577-L1101 HydrophobicContact CD1-CD2 3.65Å; F577-L1101 HydrophobicContact CE1-CD2 3.38Å; F577-L1101 HydrophobicContact CZ-CD2 4.35Å | ||
| 578 | H | 58.5 | Low | 49.5 | Very low | 47 Ų | 47 | 92.6 Ų | 92.6 | 22% | 0.218 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -72 | -42.2 | -168.5 | -134.5 | 68.3 | 0 | 0 | 0 | 110.1 | H576 I580 L581 S582 Q752 | H576-H578 PolarHBondContact O-N 2.89Å; H578-I580 VanDerWaalsContact C-N 3.3Å; H578-I580 PolarHBondContact O-N 3.19Å; H578-L581 PolarHBondContact O-N 3.4Å; H578-S582 WeakPolarHBondContact O-CB 3.38Å; H578-S582 PolarHBondContact O-N 2.72Å; H578-S582 PolarHBondContact O-OG 3.11Å; H578-Q752 PolarHBondContact CE1-OE1 3.13Å |
| 579 | P | 57.4 | Low | 51.9 | Low | 78 Ų | 78 | 87 Ų | 87 | 51% | 0.506 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | -177 | -17 | 24.1 | 0 | 0 | 0 | 110.5 | H576 S582 N583 | H576-P579 WeakPolarHBondContact O-CD 2.42Å; P579-S582 VanDerWaalsContact C-OG 3.25Å; P579-S582 WeakPolarHBondContact CA-OG 3.44Å; P579-S582 PolarHBondContact O-OG 2.95Å; P579-N583 PolarHBondContact O-ND2 3.31Å |
| 580 | I | 64.5 | Low | 54.2 | Low | 109 Ų | 109 | 84.4 Ų | 84.4 | 56% | 0.559 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -79 | -42.1 | -177.5 | -64.1 | 170 | 0 | 0 | 0 | 109.2 | F577 H578 S582 N583 | F577-I580 PolarHBondContact O-N 3Å; H578-I580 VanDerWaalsContact C-N 3.3Å; H578-I580 PolarHBondContact O-N 3.19Å; I580-S582 VanDerWaalsContact C-N 3.25Å; I580-S582 PolarHBondContact O-N 3.08Å; I580-N583 PolarHBondContact O-N 2.93Å |
| 581 | L | 68.8 | Low | 56.7 | Low | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.016 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.9 | -27.4 | 179 | -67 | 171.6 | 0 | 0 | 0 | 110 | F577 H578 N583 L584 L589 L592 N749 I750 V753 | F577-L581 HydrophobicContact CB-CD1 3.57Å; F577-L581 HydrophobicContact CB-CG 3.95Å; F577-L581 VanDerWaalsContact O-CB 3.26Å; F577-L581 WeakPolarHBondContact O-CB 3.41Å; F577-L581 WeakPolarHBondContact O-CG 3.43Å; F577-L581 PolarHBondContact O-N 2.52Å; H578-L581 PolarHBondContact O-N 3.4Å; L581-N583 PolarHBondContact O-N 3.02Å; L581-L584 HydrophobicContact CD2-CD1 3.87Å; L581-L584 PolarHBondContact O-N 3.1Å; L581-L589 HydrophobicContact CB-CD1 4.09Å; L581-L589 HydrophobicContact CD2-CD1 3.97Å; L581-L592 HydrophobicContact CD2-CD2 3.99Å; L581-N749 HydrophobicContact CD1-CB 3.58Å; L581-I750 HydrophobicContact CD1-CG1 3.98Å; L581-I750 HydrophobicContact CD2-CG1 3.91Å; L581-V753 HydrophobicContact CB-CB 4.36Å; L581-V753 HydrophobicContact CB-CG1 4.48Å; L581-V753 HydrophobicContact CB-CG2 3.66Å; L581-V753 HydrophobicContact CD1-CG2 4.28Å |
| 582 | S | 69.3 | Low | 59.1 | Low | 49 Ų | 49 | 77.9 Ų | 77.9 | 34% | 0.343 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.9 | -177.3 | 56.6 | 0 | 0 | 0 | 0 | 105.9 | H578 P579 I580 R757 | H578-S582 WeakPolarHBondContact O-CB 3.38Å; H578-S582 PolarHBondContact O-N 2.72Å; H578-S582 PolarHBondContact O-OG 3.11Å; P579-S582 VanDerWaalsContact C-OG 3.25Å; P579-S582 WeakPolarHBondContact CA-OG 3.44Å; P579-S582 PolarHBondContact O-OG 2.95Å; I580-S582 VanDerWaalsContact C-N 3.25Å; I580-S582 PolarHBondContact O-N 3.08Å; S582-R757 PolarHBondContact O-NH2 3.14Å |
| 583 | N | 68.8 | Low | 61.7 | Low | 137 Ų | 137 | 74 Ų | 74 | 73% | 0.733 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -6.4 | -179.5 | -70.7 | -25.5 | 0 | 0 | 0 | 109.8 | P579 I580 L581 | P579-N583 PolarHBondContact O-ND2 3.31Å; I580-N583 PolarHBondContact O-N 2.93Å; L581-N583 PolarHBondContact O-N 3.02Å |
| 584 | L | 62.7 | Low | 64.2 | Low | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -78.8 | 134.5 | -178.2 | -72.9 | 159.9 | 0 | 0 | 0 | 111.4 | L581 L589 R757 | L581-L584 HydrophobicContact CD2-CD1 3.87Å; L581-L584 PolarHBondContact O-N 3.1Å; L584-L589 HydrophobicContact CB-CD1 4.3Å; L584-L589 HydrophobicContact CD1-CD1 4.11Å; L584-R757 VanDerWaalsContact O-CZ 3.28Å; L584-R757 PolarHBondContact O-NH1 2.92Å; L584-R757 PolarHBondContact O-NH2 3.12Å |
| 585 | P | 73.6 | Confident | 66.2 | Low | 50 Ų | 50 | 73.2 Ų | 73.2 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | trans | -54 | 142.3 | 173.8 | -20.4 | 26.8 | 0 | 0 | 0 | 109.3 | N587 Q588 L589 L1089 | P585-N587 WeakPolarHBondContact CB-OD1 3.38Å; P585-N587 PolarHBondContact O-N 3.36Å; P585-Q588 HydrophobicContact CB-CG 4.4Å; P585-Q588 HydrophobicContact CG-CG 4.3Å; P585-Q588 WeakPolarHBondContact O-CB 3.07Å; P585-Q588 PolarHBondContact O-N 3.08Å; P585-L589 PolarHBondContact O-N 3.43Å; P585-L589 VanDerWaalsContact O-N 3.12Å; P585-L1089 HydrophobicContact CB-CD1 4.22Å; P585-L1089 HydrophobicContact CG-CD1 2.99Å; P585-L1089 HydrophobicContact CG-CG 4.34Å | ||
| 586 | M | 70.7 | Confident | 67.9 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -50.8 | -40.9 | -176.2 | -166.3 | 64.5 | 116.2 | 0 | 0 | 110.2 | Q588 L589 E590 L754 R757 M758 | M586-Q588 VanDerWaalsContact C-N 3.28Å; M586-Q588 PolarHBondContact O-N 2.73Å; M586-L589 PolarHBondContact O-N 2.55Å; M586-E590 WeakPolarHBondContact O-CG 3.37Å; M586-E590 PolarHBondContact O-N 3.27Å; M586-L754 HydrophobicContact SD-CD2 3.58Å; M586-L754 VanDerWaalsContact SD-CD2 3.58Å; M586-R757 HydrophobicContact CE-CB 3.5Å; M586-R757 VanDerWaalsContact CE-CB 3.5Å; M586-R757 HydrophobicContact SD-CB 4.21Å; M586-M758 HydrophobicContact CE-CG 4.1Å |
| 587 | N | 70.2 | Confident | 69.5 | Low | 102 Ų | 102 | 62 Ų | 62 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | -178.7 | 59.8 | -12.7 | 0 | 0 | 0 | 111.5 | P585 R591 | P585-N587 WeakPolarHBondContact CB-OD1 3.38Å; P585-N587 PolarHBondContact O-N 3.36Å; N587-R591 WeakPolarHBondContact O-CB 3.32Å; N587-R591 PolarHBondContact O-N 3.12Å |
| 588 | Q | 67.3 | Low | 70.5 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -79 | -37.5 | -179.2 | -67.7 | -75.1 | -19.7 | 0 | 0 | 111.9 | P585 M586 E590 R591 L592 L1089 L1094 | P585-Q588 HydrophobicContact CB-CG 4.4Å; P585-Q588 HydrophobicContact CG-CG 4.3Å; P585-Q588 WeakPolarHBondContact O-CB 3.07Å; P585-Q588 PolarHBondContact O-N 3.08Å; M586-Q588 VanDerWaalsContact C-N 3.28Å; M586-Q588 PolarHBondContact O-N 2.73Å; Q588-E590 VanDerWaalsContact C-N 3.28Å; Q588-R591 PolarHBondContact O-N 3.48Å; Q588-L592 WeakPolarHBondContact O-CB 3.33Å; Q588-L592 PolarHBondContact O-N 3.47Å; Q588-L1089 HydrophobicContact CG-CD1 4.42Å; Q588-L1094 HydrophobicContact CG-CD2 4.21Å; Q588-L1094 VanDerWaalsContact NE2-CD1 3.33Å |
| 589 | L | 73.4 | Confident | 70.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 174.2 | -156.1 | 73.7 | 0 | 0 | 0 | 111.7 | L581 L584 P585 M586 R591 L592 E593 I750 V753 L754 | L581-L589 HydrophobicContact CB-CD1 4.09Å; L581-L589 HydrophobicContact CD2-CD1 3.97Å; L584-L589 HydrophobicContact CB-CD1 4.3Å; L584-L589 HydrophobicContact CD1-CD1 4.11Å; P585-L589 PolarHBondContact O-N 3.43Å; P585-L589 VanDerWaalsContact O-N 3.12Å; M586-L589 PolarHBondContact O-N 2.55Å; L589-R591 VanDerWaalsContact C-N 3.35Å; L589-L592 PolarHBondContact O-N 3.39Å; L589-E593 PolarHBondContact O-N 3.41Å; L589-I750 HydrophobicContact CD1-CG2 4.34Å; L589-I750 HydrophobicContact CG-CG2 3.97Å; L589-V753 HydrophobicContact CD1-CG1 4.45Å; L589-V753 HydrophobicContact CD2-CB 3.85Å; L589-V753 HydrophobicContact CD2-CG1 3.45Å; L589-V753 VanDerWaalsContact CD2-CG1 3.45Å; L589-L754 HydrophobicContact CB-CD2 4.03Å; L589-L754 HydrophobicContact CD2-CB 4.32Å; L589-L754 HydrophobicContact CD2-CD2 3.33Å; L589-L754 HydrophobicContact CD2-CG 3.4Å; L589-L754 HydrophobicContact CG-CD2 3.92Å; L589-L754 HydrophobicContact CG-CG 3.96Å |
| 590 | E | 73.6 | Confident | 71.6 | Confident | 90 Ų | 90 | 63.7 Ų | 63.7 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 178.2 | -76.2 | 176.4 | 174.8 | 0 | 0 | 108.8 | M586 Q588 E593 Q594 L754 | M586-E590 WeakPolarHBondContact O-CG 3.37Å; M586-E590 PolarHBondContact O-N 3.27Å; Q588-E590 VanDerWaalsContact C-N 3.28Å; E590-E593 WeakPolarHBondContact O-CB 3.27Å; E590-E593 PolarHBondContact O-N 2.83Å; E590-Q594 PolarHBondContact O-N 3.25Å; E590-L754 HydrophobicContact CG-CD2 4.01Å |
| 591 | R | 73.2 | Confident | 71.9 | Confident | 149 Ų | 149 | 66.4 Ų | 66.4 | 56% | 0.562 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 178.7 | -163.7 | 167.5 | 164.4 | -174.7 | -0 | 110.2 | N587 Q588 L589 E593 Q594 I595 | N587-R591 WeakPolarHBondContact O-CB 3.32Å; N587-R591 PolarHBondContact O-N 3.12Å; Q588-R591 PolarHBondContact O-N 3.48Å; L589-R591 VanDerWaalsContact C-N 3.35Å; R591-E593 VanDerWaalsContact C-N 3.29Å; R591-E593 PolarHBondContact O-N 3.26Å; R591-Q594 WeakPolarHBondContact O-CB 2.81Å; R591-Q594 PolarHBondContact O-N 2.98Å; R591-Q594 VanDerWaalsContact O-N 3.13Å; R591-I595 HydrophobicContact CG-CD1 4.34Å; R591-I595 WeakPolarHBondContact O-CG1 3.25Å; R591-I595 PolarHBondContact O-N 2.77Å |
| 592 | L | 74.9 | Confident | 71.7 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 177.3 | -167 | 70.9 | 0 | 0 | 0 | 111.4 | L581 Q588 L589 Q594 I595 I596 I750 | L581-L592 HydrophobicContact CD2-CD2 3.99Å; Q588-L592 WeakPolarHBondContact O-CB 3.33Å; Q588-L592 PolarHBondContact O-N 3.47Å; L589-L592 PolarHBondContact O-N 3.39Å; L592-Q594 VanDerWaalsContact C-N 3.27Å; L592-Q594 PolarHBondContact O-N 3.4Å; L592-I595 PolarHBondContact O-N 3.19Å; L592-I596 HydrophobicContact CG-CD1 4.06Å; L592-I596 WeakPolarHBondContact O-CB 3.34Å; L592-I596 VanDerWaalsContact O-CG1 3.26Å; L592-I596 WeakPolarHBondContact O-CG1 3.31Å; L592-I596 PolarHBondContact O-N 2.87Å; L592-I750 HydrophobicContact CB-CD1 4.11Å; L592-I750 HydrophobicContact CD2-CD1 3.19Å; L592-I750 HydrophobicContact CD2-CG1 3.89Å; L592-I750 HydrophobicContact CG-CD1 3.47Å; L592-I750 VanDerWaalsContact CG-CD1 3.47Å |
| 593 | E | 79.7 | Confident | 71 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.9 | -178.1 | -172.8 | -170.3 | 0 | 0 | 109.1 | L589 E590 R591 T597 L747 I750 L754 | L589-E593 PolarHBondContact O-N 3.41Å; E590-E593 WeakPolarHBondContact O-CB 3.27Å; E590-E593 PolarHBondContact O-N 2.83Å; R591-E593 VanDerWaalsContact C-N 3.29Å; R591-E593 PolarHBondContact O-N 3.26Å; E593-T597 VanDerWaalsContact O-CB 3.29Å; E593-T597 WeakPolarHBondContact O-CB 3.33Å; E593-T597 PolarHBondContact O-N 3.16Å; E593-T597 PolarHBondContact O-OG1 3.2Å; E593-L747 HydrophobicContact CG-CD1 4.03Å; E593-I750 HydrophobicContact CB-CG2 3.86Å; E593-I750 HydrophobicContact CG-CG2 4.48Å; E593-L754 HydrophobicContact CB-CD1 4.06Å; E593-L754 VanDerWaalsContact CD-CD1 3.45Å; E593-L754 HydrophobicContact CG-CD1 4.21Å; E593-L754 WeakPolarHBondContact OE2-CD1 2.73Å |
| 594 | Q | 76.9 | Confident | 70.2 | Confident | 127 Ų | 127 | 78.1 Ų | 78.1 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | -177.9 | -82.8 | 175.8 | 3.7 | 0 | 0 | 110.3 | E590 R591 L592 T597 N598 | E590-Q594 PolarHBondContact O-N 3.25Å; R591-Q594 WeakPolarHBondContact O-CB 2.81Å; R591-Q594 PolarHBondContact O-N 2.98Å; R591-Q594 VanDerWaalsContact O-N 3.13Å; L592-Q594 VanDerWaalsContact C-N 3.27Å; L592-Q594 PolarHBondContact O-N 3.4Å; Q594-T597 PolarHBondContact O-N 2.48Å; Q594-N598 WeakPolarHBondContact O-CB 3.46Å; Q594-N598 PolarHBondContact O-N 3.12Å; Q594-N598 PolarHBondContact O-ND2 2.45Å |
| 595 | I | 74.4 | Confident | 69.3 | Low | 83 Ų | 83 | 83.2 Ų | 83.2 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -46.3 | -177.4 | -69.3 | 172.9 | 0 | 0 | 0 | 110.3 | R591 L592 T597 N598 M599 | R591-I595 HydrophobicContact CG-CD1 4.34Å; R591-I595 WeakPolarHBondContact O-CG1 3.25Å; R591-I595 PolarHBondContact O-N 2.77Å; L592-I595 PolarHBondContact O-N 3.19Å; I595-T597 VanDerWaalsContact C-N 3.27Å; I595-T597 PolarHBondContact O-N 2.83Å; I595-N598 PolarHBondContact O-N 2.76Å; I595-M599 HydrophobicContact CG2-CG 4.36Å; I595-M599 WeakPolarHBondContact O-CG 3.43Å; I595-M599 PolarHBondContact O-N 2.84Å |
| 596 | I | 71.7 | Confident | 67.8 | Low | 4 Ų | 4 | 83.9 Ų | 83.9 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.2 | -34.3 | -179.2 | -65.9 | 178.3 | 0 | 0 | 0 | 111.2 | L592 N598 M599 L600 L746 L747 I750 | L592-I596 HydrophobicContact CG-CD1 4.06Å; L592-I596 WeakPolarHBondContact O-CB 3.34Å; L592-I596 VanDerWaalsContact O-CG1 3.26Å; L592-I596 WeakPolarHBondContact O-CG1 3.31Å; L592-I596 PolarHBondContact O-N 2.87Å; I596-N598 VanDerWaalsContact C-N 3.34Å; I596-M599 HydrophobicContact CG1-CE 4.23Å; I596-M599 PolarHBondContact O-N 2.92Å; I596-L600 HydrophobicContact CG2-CD1 4.02Å; I596-L600 HydrophobicContact CG2-CG 4.39Å; I596-L600 WeakPolarHBondContact O-CB 3.32Å; I596-L600 VanDerWaalsContact O-CG 3.29Å; I596-L600 WeakPolarHBondContact O-CG 3.35Å; I596-L600 PolarHBondContact O-N 2.95Å; I596-L746 HydrophobicContact CD1-CB 4.2Å; I596-L746 HydrophobicContact CD1-CD2 3.12Å; I596-L746 HydrophobicContact CD1-CG 3.48Å; I596-L746 VanDerWaalsContact CD1-CG 3.48Å; I596-L746 HydrophobicContact CG1-CD2 4.25Å; I596-L747 HydrophobicContact CB-CD1 4.4Å; I596-L747 HydrophobicContact CG2-CB 3.97Å; I596-L747 HydrophobicContact CG2-CD1 4.19Å; I596-I750 HydrophobicContact CD1-CD1 3.28Å |
| 597 | T | 77 | Confident | 66.1 | Low | 51 Ų | 51 | 86.7 Ų | 86.7 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | E593 Q594 I595 M599 L600 R601 | E593-T597 VanDerWaalsContact O-CB 3.29Å; E593-T597 WeakPolarHBondContact O-CB 3.33Å; E593-T597 PolarHBondContact O-N 3.16Å; E593-T597 PolarHBondContact O-OG1 3.2Å; Q594-T597 PolarHBondContact O-N 2.48Å; I595-T597 VanDerWaalsContact C-N 3.27Å; I595-T597 PolarHBondContact O-N 2.83Å; T597-M599 VanDerWaalsContact C-N 3.34Å; T597-L600 PolarHBondContact O-N 2.73Å; T597-R601 WeakPolarHBondContact O-CB 3.18Å; T597-R601 PolarHBondContact O-N 2.95Å |
| 598 | N | 73.3 | Confident | 64.3 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 46% | 0.46 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 179.6 | -74.9 | -15.8 | 0 | 0 | 0 | 109.2 | Q594 I595 I596 L600 R601 K602 | Q594-N598 WeakPolarHBondContact O-CB 3.46Å; Q594-N598 PolarHBondContact O-N 3.12Å; Q594-N598 PolarHBondContact O-ND2 2.45Å; I595-N598 PolarHBondContact O-N 2.76Å; I596-N598 VanDerWaalsContact C-N 3.34Å; N598-L600 VanDerWaalsContact C-N 3.26Å; N598-L600 PolarHBondContact O-N 2.94Å; N598-R601 PolarHBondContact O-N 2.71Å; N598-K602 WeakPolarHBondContact O-CB 3.45Å; N598-K602 WeakPolarHBondContact O-CG 3.21Å; N598-K602 PolarHBondContact O-N 2.8Å |
| 599 | M | 68.2 | Low | 62.5 | Low | 74 Ų | 74 | 91.7 Ų | 91.7 | 37% | 0.365 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.1 | -67.1 | -161.5 | -59.4 | 0 | 0 | 111.9 | I595 I596 T597 R601 K603 Y743 | I595-M599 HydrophobicContact CG2-CG 4.36Å; I595-M599 WeakPolarHBondContact O-CG 3.43Å; I595-M599 PolarHBondContact O-N 2.84Å; I596-M599 HydrophobicContact CG1-CE 4.23Å; I596-M599 PolarHBondContact O-N 2.92Å; T597-M599 VanDerWaalsContact C-N 3.34Å; M599-R601 VanDerWaalsContact C-N 3.3Å; M599-K603 WeakPolarHBondContact O-CB 3.4Å; M599-K603 PolarHBondContact O-N 3.07Å; M599-Y743 HydrophobicContact CE-CD1 3.37Å; M599-Y743 HydrophobicContact CE-CE1 3.16Å; M599-Y743 HydrophobicContact CE-CG 4.36Å; M599-Y743 HydrophobicContact SD-CE1 4.28Å |
| 600 | L | 71.1 | Confident | 60.5 | Low | 40 Ų | 40 | 97.7 Ų | 97.7 | 21% | 0.209 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -77 | -26.1 | 179.6 | -73.4 | 170.2 | 0 | 0 | 0 | 109.7 | I596 T597 N598 K604 L747 | I596-L600 HydrophobicContact CG2-CD1 4.02Å; I596-L600 HydrophobicContact CG2-CG 4.39Å; I596-L600 WeakPolarHBondContact O-CB 3.32Å; I596-L600 VanDerWaalsContact O-CG 3.29Å; I596-L600 WeakPolarHBondContact O-CG 3.35Å; I596-L600 PolarHBondContact O-N 2.95Å; T597-L600 PolarHBondContact O-N 2.73Å; N598-L600 VanDerWaalsContact C-N 3.26Å; N598-L600 PolarHBondContact O-N 2.94Å; L600-K604 PolarHBondContact O-N 3.09Å; L600-L747 HydrophobicContact CD1-CB 4.4Å; L600-L747 HydrophobicContact CD1-CD2 3.54Å |
| 601 | R | 70.5 | Confident | 58.4 | Low | 166 Ų | 166 | 101.3 Ų | 101.3 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -81.1 | -35.9 | -178.9 | -150.8 | -179 | -134.4 | 160.3 | 2.8 | 108.7 | T597 N598 M599 K603 K604 I605 | T597-R601 WeakPolarHBondContact O-CB 3.18Å; T597-R601 PolarHBondContact O-N 2.95Å; N598-R601 PolarHBondContact O-N 2.71Å; M599-R601 VanDerWaalsContact C-N 3.3Å; R601-K603 PolarHBondContact O-N 3.27Å; R601-K604 PolarHBondContact O-N 3.15Å; R601-I605 HydrophobicContact CG-CD1 4.48Å; R601-I605 WeakPolarHBondContact O-CG1 3.43Å; R601-I605 PolarHBondContact O-N 2.68Å |
| 602 | K | 64.9 | Low | 56.4 | Low | 170 Ų | 170 | 100.3 Ų | 100.3 | 74% | 0.739 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.9 | -21.1 | 179.6 | -79.2 | -172.7 | 179.9 | -179.8 | 0 | 111.1 | N598 G606 | N598-K602 WeakPolarHBondContact O-CB 3.45Å; N598-K602 WeakPolarHBondContact O-CG 3.21Å; N598-K602 PolarHBondContact O-N 2.8Å; K602-G606 PolarHBondContact O-N 3.11Å |
| 603 | K | 55.1 | Low | 54.3 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -87.7 | -22.1 | 177.5 | -144.5 | 179.1 | 173.2 | 178.4 | 0 | 111.1 | M599 R601 | M599-K603 WeakPolarHBondContact O-CB 3.4Å; M599-K603 PolarHBondContact O-N 3.07Å; R601-K603 PolarHBondContact O-N 3.27Å |
| 604 | K | 51.3 | Low | 52 | Low | 165 Ų | 165 | 110.2 Ų | 110.2 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -79.9 | -17.8 | 174.9 | -131.3 | 177.5 | 178.3 | -179.8 | 0 | 110.8 | L600 R601 | L600-K604 PolarHBondContact O-N 3.09Å; R601-K604 PolarHBondContact O-N 3.15Å |
| 605 | I | 45 | Very low | 49.9 | Very low | 127 Ų | 127 | 110.5 Ų | 110.5 | 65% | 0.651 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -100.3 | -12.5 | -178.2 | -69.3 | 164 | 0 | 0 | 0 | 107.8 | R601 | R601-I605 HydrophobicContact CG-CD1 4.48Å; R601-I605 WeakPolarHBondContact O-CG1 3.43Å; R601-I605 PolarHBondContact O-N 2.68Å |
| 606 | G | 41.1 | Very low | 47.7 | Very low | 64 Ų | 64 | 117.3 Ų | 117.3 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 3.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K602 | K602-G606 PolarHBondContact O-N 3.11Š|
| 607 | C | 35.5 | Very low | 45.5 | Very low | 108 Ų | 108 | 125 Ų | 125 | 73% | 0.73 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 15.1 | -178.1 | -73.5 | 0 | 0 | 0 | 0 | 109 | ||
| 608 | L | 32.3 | Very low | 43.4 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -119.9 | 33.8 | 176.4 | -78.5 | 159.8 | 0 | 0 | 0 | 107.4 | ||
| 609 | A | 29.8 | Very low | 41.2 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | trans | -126.9 | 105.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 610 | P | 31.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | -72.5 | 112.7 | 176.2 | 15.7 | 3.7 | 0 | 0 | 0 | 110.2 | ||||
| 611 | D | 27.7 | Very low | 37.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | -32.7 | 108 | 144.7 | -92 | -17.2 | 0 | 0 | 0 | 111 | ||||
| 612 | T | 32.4 | Very low | 35.1 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -113.4 | 104.3 | 145.8 | 38.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 613 | S | 31.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | 90.5 | 111.3 | 97.6 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 614 | K | 30.3 | Very low | 31.9 | Very low | 189 Ų | 189 | 143 Ų | 143 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 71.9 | 117.3 | 97.9 | -84.4 | -173.1 | -178.3 | 177.8 | 0 | 110.8 | |||||
| 615 | N | 32.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | 140.8 | 108.5 | 116.6 | -92.6 | -11.5 | 0 | 0 | 0 | 109.9 | |||||
| 616 | R | 29.2 | Very low | 29.8 | Very low | 227 Ų | 227 | 142.9 Ų | 142.9 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 113.5 | 110.2 | 107.6 | -105.2 | -175.6 | -167 | -160.1 | 2.8 | 111.9 | |||||
| 617 | L | 26.3 | Very low | 29.2 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | 62 | 114.3 | 102.4 | -138.5 | 97.4 | 0 | 0 | 0 | 111.1 | |||||
| 618 | V | 31.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 152 Ų | 152 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | 132 | 111 | 114.2 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 619 | H | 27.1 | Very low | 28.7 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | 75.9 | 111.4 | 112.8 | -113.1 | -37.9 | 0 | 0 | 0 | 111.8 | |||||
| 620 | L | 29.5 | Very low | 28.6 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | 144.7 | 105.4 | 127.2 | -122.9 | 101.8 | 0 | 0 | 0 | 110.7 | |||||
| 621 | D | 27.5 | Very low | 28.2 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | 63.6 | 108.3 | 118.2 | -84.1 | -14.4 | 0 | 0 | 0 | 112 | |||||
| 622 | N | 25 | Very low | 28.2 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 85.1 | 99.8 | 123 | -87.5 | -9.2 | 0 | 0 | 0 | 110.6 | |||||
| 623 | Q | 28.6 | Very low | 27.8 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 162.7 | 99 | 143.1 | -109.5 | 171.9 | 15.5 | 0 | 0 | 109.7 | ||||
| 624 | D | 25.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 159 Ų | 159 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | 50.8 | 106.9 | 123.9 | -87.7 | -14.8 | 0 | 0 | 0 | 112 | |||||
| 625 | C | 24.9 | Very low | 27.2 | Very low | 105 Ų | 105 | 157 Ų | 157 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | 112.1 | 104.7 | 127.8 | -98.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 626 | F | 27.8 | Very low | 26.7 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | 151.5 | 105.9 | 127.4 | -92.9 | -82.4 | 0 | 0 | 0 | 110.5 | |||||
| 627 | H | 27.4 | Very low | 26.5 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | 60.9 | 104.9 | 106.8 | -92.5 | -53.8 | 0 | 0 | 0 | 111.1 | |||||
| 628 | K | 29.7 | Very low | 26.3 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | -166.9 | 93.8 | 129.2 | -121.4 | 177.4 | 179 | 178.2 | 0 | 111.1 | |||||
| 629 | H | 26.8 | Very low | 26 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | 21.6 | 102.9 | 118.9 | -95.1 | -66.5 | 0 | 0 | 0 | 111.1 | |||||
| 630 | D | 28.4 | Very low | 25.8 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -152.1 | 95.1 | 131.8 | -88 | -16.9 | 0 | 0 | 0 | 109.6 | ||||
| 631 | I | 24.3 | Very low | 25.7 | Very low | 133 Ų | 133 | 141 Ų | 141 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | 41 | 83.1 | 113.4 | -57.1 | 173.3 | 0 | 0 | 0 | 109 | |||||
| 632 | K | 26.6 | Very low | 25.6 | Very low | 213 Ų | 213 | 140.8 Ų | 140.8 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | trans | -130.1 | 78.1 | 142.1 | -89.2 | -173.5 | -176.5 | -177.1 | 0 | 109 | G634 | K632-G634 PolarHBondContact O-N 2.76Š| ||
| 633 | Q | 23.8 | Very low | 25.7 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -30.9 | 83.9 | 147.7 | -110.8 | 176.8 | 13.1 | 0 | 0 | 111.2 | ||||
| 634 | G | 26.1 | Very low | 25.6 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -103.9 | 93.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K632 | K632-G634 PolarHBondContact O-N 2.76Š| ||
| 635 | I | 24 | Very low | 25.7 | Very low | 147 Ų | 147 | 131 Ų | 131 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | -16.3 | 107 | 150 | -60.1 | 170.1 | 0 | 0 | 0 | 111.5 | I637 | I635-I637 HydrophobicContact CG2-CD1 3.78Å; I635-I637 HydrophobicContact CG2-CG1 3.48Å; I635-I637 VanDerWaalsContact CG2-CG1 3.48Å | ||
| 636 | S | 22.2 | Very low | 25.8 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | trans | -62.6 | 96.8 | 156.6 | 165.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 637 | I | 24.4 | Very low | 25.8 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | trans | -113.8 | 104.5 | 164.5 | -60.3 | 170.4 | 0 | 0 | 0 | 107.3 | I635 V639 | I635-I637 HydrophobicContact CG2-CD1 3.78Å; I635-I637 HydrophobicContact CG2-CG1 3.48Å; I635-I637 VanDerWaalsContact CG2-CG1 3.48Å; I637-V639 HydrophobicContact CG2-CG2 3.74Å | ||
| 638 | G | 21.4 | Very low | 25.9 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | -42.5 | 108.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 639 | V | 25.2 | Very low | 25.7 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 45% | 0.448 | 70% | 0.699 | S | S | . | * | trans | -150.1 | 112.9 | 156.3 | -152.8 | 0 | 0 | 0 | 0 | 110.7 | I637 T641 | I637-V639 HydrophobicContact CG2-CG2 3.74Å; V639-T641 WeakPolarHBondContact O-CG2 3.43Å | ||
| 640 | N | 23.9 | Very low | 25.8 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | trans | -9.4 | 105.1 | 141.1 | -130.1 | -2.3 | 0 | 0 | 0 | 113.4 | ||||
| 641 | T | 26.7 | Very low | 25.7 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 43% | 0.429 | 71% | 0.707 | S | S | . | * | trans | -126.3 | 115.4 | 159.8 | -15.2 | 0 | 0 | 0 | 0 | 99.5 | V639 E1092 | V639-T641 WeakPolarHBondContact O-CG2 3.43Å; T641-E1092 WeakPolarHBondContact CA-OE2 3.24Å; T641-E1092 WeakPolarHBondContact CB-OE2 3.36Å; T641-E1092 HydrophobicContact CG2-CB 4.29Å; T641-E1092 HydrophobicContact CG2-CG 3.23Å; T641-E1092 WeakPolarHBondContact CG2-OE1 3.41Å; T641-E1092 WeakPolarHBondContact CG2-OE2 3.34Å; T641-E1092 PolarHBondContact OG1-OE2 3.28Å | ||
| 642 | T | 25.3 | Very low | 25.9 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | -64.1 | 101.7 | 122.5 | 13.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 643 | F | 27.4 | Very low | 26.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 45% | 0.447 | 71% | 0.71 | S | S | . | * | trans | -96 | 107.6 | 169.4 | -116.6 | -91.6 | 0 | 0 | 0 | 105.7 | D1090 E1092 R1093 | F643-D1090 WeakPolarHBondContact CE1-OD2 3.11Å; F643-D1090 VanDerWaalsContact CZ-OD2 3.26Å; F643-D1090 WeakPolarHBondContact CZ-OD2 3.33Å; F643-E1092 HydrophobicContact CD2-CB 4.01Å; F643-E1092 HydrophobicContact CD2-CG 4.49Å; F643-E1092 VanDerWaalsContact CD2-OE2 3.25Å; F643-E1092 WeakPolarHBondContact CD2-OE2 3.13Å; F643-E1092 HydrophobicContact CE2-CB 3.42Å; F643-E1092 VanDerWaalsContact CE2-CB 3.42Å; F643-E1092 HydrophobicContact CE2-CG 4.16Å; F643-E1092 HydrophobicContact CZ-CB 4.49Å; F643-R1093 HydrophobicContact CE1-CG 3.58Å; F643-R1093 HydrophobicContact CE2-CG 3.93Å; F643-R1093 HydrophobicContact CZ-CB 4.02Å; F643-R1093 HydrophobicContact CZ-CG 2.95Å | ||
| 644 | V | 26.5 | Very low | 26.3 | Very low | 84 Ų | 84 | 126 Ų | 126 | 51% | 0.509 | 71% | 0.706 | S | S | . | * | trans | -74 | 106.3 | 139.1 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | L118 | L118-V644 HydrophobicContact CD2-CG1 3.82Š| ||
| 645 | S | 27.1 | Very low | 26.3 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | -65.9 | 94.2 | 155.1 | -116 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 646 | S | 27.1 | Very low | 26.5 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | trans | -65.9 | 106.3 | 147.1 | 32.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 647 | R | 28.6 | Very low | 26.6 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 57% | 0.566 | 71% | 0.707 | S | S | * | * | trans | -47 | 94.7 | 141.9 | -100.4 | -177.4 | -176.5 | -171.1 | 0.1 | 110.9 | R277 | R277-R647 VanDerWaalsContact CZ-NE 3.35Å; R277-R647 VanDerWaalsContact NE-NH2 3.15Å | ||
| 648 | T | 28 | Very low | 26.7 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -100.6 | 99.2 | 151.7 | 44.7 | 0 | 0 | 0 | 0 | 107.9 | L650 | T648-L650 PolarHBondContact O-N 2.9Š| ||
| 649 | N | 25.2 | Very low | 26.9 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | -8.9 | 86.5 | 133.8 | -103.7 | -28.9 | 0 | 0 | 0 | 112.9 | ||||
| 650 | L | 28.9 | Very low | 27.1 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | trans | -99.6 | 78.7 | 158.4 | -103.6 | 129.3 | 0 | 0 | 0 | 107.8 | T648 | T648-L650 PolarHBondContact O-N 2.9Š| ||
| 651 | K | 27.3 | Very low | 27.1 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | -92 | 85.6 | 145.5 | -98.4 | -176.8 | -178.8 | -179.7 | 0 | 108.3 | ||||
| 652 | N | 28.2 | Very low | 27 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -117.4 | 83.2 | 151 | -83.6 | -14.2 | 0 | 0 | 0 | 108.9 | ||||
| 653 | K | 30.2 | Very low | 27.1 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -47 | 99.2 | 130.9 | -109.6 | -179 | 178.6 | 174.3 | 0 | 111 | ||||
| 654 | E | 27.9 | Very low | 27 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | 60.2 | 96.2 | 117.1 | -96.2 | -176.8 | 179.2 | 0 | 0 | 110.7 | |||||
| 655 | Q | 27.7 | Very low | 27.2 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | 174.2 | 86.7 | 128.8 | -96.6 | -175.2 | 5.9 | 0 | 0 | 110.3 | |||||
| 656 | L | 27.1 | Very low | 27.2 | Very low | 186 Ų | 186 | 145 Ų | 145 | 97% | 0.974 | 77% | 0.77 | S | S | * | * | trans | -75 | 85.7 | 144.3 | -105 | 123.4 | 0 | 0 | 0 | 109.4 | ||||
| 657 | S | 25.4 | Very low | 27.3 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 114.1 | 139.7 | 50 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 658 | N | 25.3 | Very low | 27.3 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | 132.7 | 105.2 | 109.8 | -91.6 | -5 | 0 | 0 | 0 | 108.7 | |||||
| 659 | T | 26.8 | Very low | 27.4 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -157.2 | 104.7 | 135.8 | -3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 660 | Q | 28 | Very low | 27.5 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 92.8 | 95.9 | 111.9 | -103.7 | 177.5 | 0.4 | 0 | 0 | 112.7 | |||||
| 661 | S | 24.2 | Very low | 27.4 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | 35.5 | 105.6 | 110.1 | 157.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 662 | C | 25.2 | Very low | 27.4 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | -175.4 | 102.5 | 129.3 | -81.6 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 663 | D | 27.6 | Very low | 27.5 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | 113.8 | 107.9 | 108.8 | -78.3 | -19.1 | 0 | 0 | 0 | 110.2 | |||||
| 664 | S | 25.5 | Very low | 27.2 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | 99.3 | 112 | 102.8 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 665 | M | 29.5 | Very low | 27.3 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | 164.5 | 97.4 | 113.8 | -82.2 | -129.9 | 83.6 | 0 | 0 | 110.5 | |||||
| 666 | N | 27.5 | Very low | 27.3 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 30.6 | 120.9 | 110.8 | -117.1 | 3.6 | 0 | 0 | 0 | 112.8 | |||||
| 667 | N | 30.3 | Very low | 27.3 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | 144.6 | 110.7 | 106.9 | -89.2 | -18.4 | 0 | 0 | 0 | 110.6 | |||||
| 668 | Q | 27.5 | Very low | 27.4 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | 70.5 | 112.5 | 97 | -98.9 | -175.3 | -11.7 | 0 | 0 | 112.2 | |||||
| 669 | D | 29.4 | Very low | 27.4 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | 141.6 | 114.7 | 116.1 | -90.4 | -15.3 | 0 | 0 | 0 | 110.4 | |||||
| 670 | M | 28.7 | Very low | 27.5 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 60% | 0.596 | 73% | 0.729 | S | S | * | * | 106.9 | 107.4 | 94.8 | -80.3 | -76.4 | -95.1 | 0 | 0 | 110.4 | |||||
| 671 | R | 27 | Very low | 27.4 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | 85.5 | 113.2 | 100.1 | -89.3 | -173.8 | -175.5 | -171.2 | -0.1 | 111 | |||||
| 672 | S | 27.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | 122.2 | 115.7 | 107.8 | 81 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 673 | L | 29.2 | Very low | 27.9 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | 134.5 | 104.6 | 105.1 | -108.2 | 123.8 | 0 | 0 | 0 | 111.5 | |||||
| 674 | V | 25.3 | Very low | 28.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | 39.8 | 124.8 | 102.9 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 675 | S | 28.1 | Very low | 28 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | 161.3 | 115 | 109 | -120.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 676 | K | 29.4 | Very low | 27.9 | Very low | 152 Ų | 152 | 138 Ų | 138 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | 86.9 | 122.2 | 98.8 | -93.2 | -176.5 | -174.9 | 179.1 | 0 | 111.7 | |||||
| 677 | R | 25.4 | Very low | 27.7 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | 103.2 | 122 | 93.9 | -97.9 | -171.9 | -168.6 | 168.4 | -1.1 | 112 | |||||
| 678 | K | 28.8 | Very low | 27.5 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | 104.6 | 119.6 | 103.8 | -92.7 | -176.9 | 179.7 | 178 | 0 | 113.8 | |||||
| 679 | S | 24.7 | Very low | 27.5 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | 60.4 | 126.6 | 106.1 | 84.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 680 | S | 29.3 | Very low | 27.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | 149.2 | 113.2 | 118.6 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 681 | Y | 24.8 | Very low | 27.5 | Very low | 228 Ų | 228 | 135.8 Ų | 135.8 | 89% | 0.894 | 71% | 0.712 | S | S | * | * | trans | -4.6 | 170.3 | 139.8 | -82.9 | -85.1 | 0 | 0 | 0 | 116.5 | ||||
| 682 | P | 34.8 | Very low | 27.6 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | cis | -139.9 | 157.2 | -42 | 28.1 | -3.5 | 0 | 0 | 0 | 108.8 | ||||
| 683 | N | 26.7 | Very low | 27.7 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | 117.4 | 123.3 | 132.8 | -95.2 | -8.7 | 0 | 0 | 0 | 110.6 | ||||
| 684 | D | 30.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | 125 | 109.7 | 120.4 | -89.4 | -10.4 | 0 | 0 | 0 | 110.2 | |||||
| 685 | S | 24.6 | Very low | 28 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | 71.9 | 120.3 | 109.7 | 17.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 686 | L | 26.3 | Very low | 28 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | 104.1 | 114.3 | 115 | -106.2 | 123.4 | 0 | 0 | 0 | 110.7 | |||||
| 687 | S | 24.8 | Very low | 27.8 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | 80 | 122.4 | 109.6 | 55.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 688 | I | 26.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | 125.7 | 113.2 | 113.5 | -64.9 | 172.2 | 0 | 0 | 0 | 109.6 | |||||
| 689 | V | 27.4 | Very low | 27.7 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | 102.2 | 115 | 108.8 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 690 | Q | 25.8 | Very low | 27.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | 75 | 123.9 | 107.3 | -100.1 | 177.6 | -10.6 | 0 | 0 | 111.9 | |||||
| 691 | H | 30.4 | Very low | 27.5 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 63% | 0.625 | 71% | 0.714 | S | S | * | * | 146 | 112.6 | 118.3 | -91.5 | -66.3 | 0 | 0 | 0 | 110 | |||||
| 692 | H | 29.6 | Very low | 27.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | 89.3 | 118.2 | 104.5 | -99.5 | -19.3 | 0 | 0 | 0 | 113 | |||||
| 693 | N | 30.7 | Very low | 27.4 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | 109.5 | 116.6 | 106.2 | -101.8 | -0.2 | 0 | 0 | 0 | 111.2 | |||||
| 694 | N | 32.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | 126.2 | 106.6 | 108.5 | -80.8 | -11.4 | 0 | 0 | 0 | 111 | |||||
| 695 | N | 26.6 | Very low | 27.5 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | 43.1 | 121.7 | 110.3 | -90.4 | -6.1 | 0 | 0 | 0 | 111.9 | |||||
| 696 | V | 29.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | 160.8 | 106.6 | 123 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | Y698 | V696-Y698 HydrophobicContact CG1-CD2 4.24Å; V696-Y698 HydrophobicContact CG1-CE2 4.49Å | |||
| 697 | T | 24 | Very low | 27.9 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | 12.8 | 122.3 | 120.1 | 17.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 698 | Y | 28.1 | Very low | 28.1 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | -175.3 | 104 | 144 | -99.6 | -85.8 | 0 | 0 | 0 | 110.3 | V696 | V696-Y698 HydrophobicContact CG1-CD2 4.24Å; V696-Y698 HydrophobicContact CG1-CE2 4.49Å | ||
| 699 | T | 24.9 | Very low | 28.3 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | 38 | 126.9 | 107.6 | 36 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 700 | R | 25.7 | Very low | 28.2 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | 126.4 | 113.7 | 117.6 | -144.4 | 178.8 | -158.8 | -177.1 | -7.7 | 111.9 | |||||
| 701 | R | 24.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 70% | 0.698 | 73% | 0.725 | S | S | * | * | 71.2 | 118.5 | 104.9 | -111 | -174.6 | -144.6 | 138.5 | 1.2 | 111.3 | |||||
| 702 | D | 29.8 | Very low | 28.1 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | 142.7 | 116.4 | 117.4 | -78.5 | -22.1 | 0 | 0 | 0 | 111 | |||||
| 703 | A | 26.9 | Very low | 27.9 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 55% | 0.554 | 73% | 0.725 | S | S | * | * | 94 | 118.7 | 92.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 704 | F | 28.4 | Very low | 27.7 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.803 | 73% | 0.732 | S | S | * | * | 138.4 | 119.2 | 102.1 | -94.6 | -80.5 | 0 | 0 | 0 | 112 | |||||
| 705 | T | 31.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | 136.7 | 112.5 | 96 | 34.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 706 | N | 30.1 | Very low | 27.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | 112.6 | 110.8 | 98.1 | -91.8 | -12.1 | 0 | 0 | 0 | 112 | |||||
| 707 | S | 29.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | 151.2 | 96.6 | 103.7 | 24.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 708 | D | 28.4 | Very low | 27.6 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | 21.1 | 165.2 | 118.2 | -85.6 | -17.6 | 0 | 0 | 0 | 117.3 | |||||
| 709 | P | 31.3 | Very low | 27.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | cis | -154.4 | 148.4 | 12.2 | 33.1 | -6.2 | 0 | 0 | 0 | 113.6 | ||||
| 710 | I | 25.7 | Very low | 27.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 65% | 0.646 | 73% | 0.729 | S | S | * | * | 107.6 | 116.8 | 95.4 | -67.2 | 171.7 | 0 | 0 | 0 | 111.3 | |||||
| 711 | L | 27.3 | Very low | 27.8 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | 171.7 | 103.5 | 102.8 | -82.4 | 163.7 | 0 | 0 | 0 | 112.3 | |||||
| 712 | Q | 25.7 | Very low | 28.1 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | 63.3 | 118.1 | 89.9 | -89.8 | -172.5 | 14.3 | 0 | 0 | 110.8 | |||||
| 713 | L | 25.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 58% | 0.576 | 73% | 0.732 | S | S | * | * | 139.8 | 112.6 | 95.4 | -96 | 145.1 | 0 | 0 | 0 | 111.5 | |||||
| 714 | K | 26.3 | Very low | 28.1 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | 107.6 | 116.9 | 91.1 | -100.1 | -177.2 | -175.1 | 178.3 | 0 | 112.5 | |||||
| 715 | S | 25.2 | Very low | 28.1 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | 91 | 121.9 | 84.7 | 58.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 716 | S | 28.9 | Very low | 28 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | 129.5 | 104.7 | 95.2 | 30.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 717 | S | 22.4 | Very low | 27.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | 17.4 | 170.6 | 119.9 | -61.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 718 | P | 32.7 | Very low | 27.7 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | -126.7 | 152.9 | -102 | 31.3 | 0.5 | 0 | 0 | 0 | 111.2 | |||||
| 719 | V | 28.5 | Very low | 27.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 175.7 | 111.9 | 148.2 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 720 | H | 27.5 | Very low | 27.5 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | 108 | 116.7 | 110 | -98.8 | -42.9 | 0 | 0 | 0 | 111.5 | |||||
| 721 | S | 27.9 | Very low | 27.7 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | 123.6 | 108.5 | 106.5 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 722 | K | 30.2 | Very low | 27.9 | Very low | 209 Ų | 209 | 148.6 Ų | 148.6 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | 100.9 | 104.7 | 115.2 | -107.5 | 178.8 | -177.7 | 179.2 | 0 | 110.7 | |||||
| 723 | G | 26.5 | Very low | 28 | Very low | 65 Ų | 65 | 145.6 Ų | 145.6 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | 99.2 | 99.5 | 118 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 724 | I | 30.8 | Very low | 28.2 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | 140.3 | 101 | 127.7 | -62.5 | 174.2 | 0 | 0 | 0 | 109.8 | |||||
| 725 | K | 27.4 | Very low | 28.3 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | 49.7 | 92.8 | 130.1 | -81.9 | -174.2 | -179.2 | 178.7 | 0 | 111.5 | ||||
| 726 | E | 29.9 | Very low | 28.6 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -164.9 | 84.7 | 150.6 | -95 | -179.7 | -180 | 0 | 0 | 110.4 | ||||
| 727 | E | 26 | Very low | 28.9 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | 12.4 | 94.1 | 113.4 | -104 | -179.2 | -179.3 | 0 | 0 | 110.7 | |||||
| 728 | E | 27.7 | Very low | 29.5 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | 127.5 | 73.1 | 136.8 | -105.7 | 177.9 | 176.9 | 0 | 0 | 109.6 | ||||
| 729 | L | 28.1 | Very low | 29.7 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | 174 | 67.6 | 157.9 | -91.2 | 143.2 | 0 | 0 | 0 | 109.6 | ||||
| 730 | Q | 27.8 | Very low | 30.2 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -157.3 | 37.9 | 154.2 | -99.6 | 177.1 | 10.4 | 0 | 0 | 113.2 | ||||
| 731 | I | 29.8 | Very low | 31.7 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -111.5 | 35.6 | 169 | -62.2 | 174 | 0 | 0 | 0 | 109.4 | ||
| 732 | D | 29.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -137.1 | 30.9 | 174.1 | -96.5 | -10.2 | 0 | 0 | 0 | 111.6 | ||
| 733 | S | 28.8 | Very low | 34.7 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -137.7 | 16.8 | 172.9 | 66.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 734 | Q | 30.5 | Very low | 36.8 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -130 | 10.4 | 178.2 | -147.2 | 123.1 | 10 | 0 | 0 | 109.6 | ||
| 735 | C | 28.8 | Very low | 38.6 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -117.7 | 9.8 | 175.2 | -125.7 | 0 | 0 | 0 | 0 | 109 | ||
| 736 | Q | 31.3 | Very low | 40.7 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 65% | 0.654 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -111.8 | -0.8 | -177 | -89.3 | 177.7 | 6.5 | 0 | 0 | 111.1 | ||
| 737 | S | 33.9 | Very low | 43 | Very low | 69 Ų | 69 | 110.5 Ų | 110.5 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -107.1 | -5.8 | -180 | 84.7 | 0 | 0 | 0 | 0 | 111.2 | D741 | S737-D741 VanDerWaalsContact O-CG 3.31Å |
| 738 | D | 36.2 | Very low | 45.4 | Very low | 99 Ų | 99 | 104 Ų | 104 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -96.7 | -21.4 | -174 | -88 | -11.6 | 0 | 0 | 0 | 108.7 | K742 | D738-K742 WeakPolarHBondContact O-CG 3.27Å |
| 739 | T | 36.9 | Very low | 47.5 | Very low | 62 Ų | 62 | 96.5 Ų | 96.5 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -87.7 | -33.3 | 179.7 | 16.9 | 0 | 0 | 0 | 0 | 110.6 | D741 K742 Y743 | T739-D741 VanDerWaalsContact C-N 3.26Å; T739-D741 PolarHBondContact O-N 3.13Å; T739-K742 PolarHBondContact O-N 3.31Å; T739-Y743 WeakPolarHBondContact O-CD2 3.43Å; T739-Y743 PolarHBondContact O-N 2.91Å |
| 740 | A | 39.5 | Very low | 49.8 | Very low | 37 Ų | 37 | 88.1 Ų | 88.1 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.1 | -21.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S744 | A740-S744 VanDerWaalsContact O-CB 3.27Å; A740-S744 WeakPolarHBondContact O-CB 3.39Å; A740-S744 PolarHBondContact O-N 3.37Å; A740-S744 PolarHBondContact O-OG 3.13Å |
| 741 | D | 57.1 | Low | 52.3 | Low | 106 Ų | 106 | 83 Ų | 83 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -82.8 | -24 | 178.4 | -82.7 | -12.6 | 0 | 0 | 0 | 110.7 | S737 T739 L745 | S737-D741 VanDerWaalsContact O-CG 3.31Å; T739-D741 VanDerWaalsContact C-N 3.26Å; T739-D741 PolarHBondContact O-N 3.13Å; D741-L745 VanDerWaalsContact O-CB 3.31Å; D741-L745 WeakPolarHBondContact O-CB 3.35Å; D741-L745 PolarHBondContact O-N 2.91Å |
| 742 | K | 59.6 | Low | 54.6 | Low | 153 Ų | 153 | 79.8 Ų | 79.8 | 67% | 0.665 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -86.5 | -37.2 | -176.7 | -72.1 | -178 | -175.4 | -179.9 | 0 | 109.7 | D738 T739 L746 | D738-K742 WeakPolarHBondContact O-CG 3.27Å; T739-K742 PolarHBondContact O-N 3.31Å; K742-L746 PolarHBondContact O-N 3.02Å; K742-L746 VanDerWaalsContact O-N 3.08Å |
| 743 | Y | 61.9 | Low | 56.8 | Low | 96 Ų | 96 | 73.4 Ų | 73.4 | 38% | 0.376 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.5 | -31.4 | 178.7 | -73.9 | -73.6 | 0 | 0 | 0 | 110.5 | M599 T739 L747 | M599-Y743 HydrophobicContact CE-CD1 3.37Å; M599-Y743 HydrophobicContact CE-CE1 3.16Å; M599-Y743 HydrophobicContact CE-CG 4.36Å; M599-Y743 HydrophobicContact SD-CE1 4.28Å; T739-Y743 WeakPolarHBondContact O-CD2 3.43Å; T739-Y743 PolarHBondContact O-N 2.91Å; Y743-L747 VanDerWaalsContact O-CB 3.29Å; Y743-L747 WeakPolarHBondContact O-CB 3.33Å; Y743-L747 PolarHBondContact O-N 2.97Å |
| 744 | S | 70.6 | Confident | 59.2 | Low | 57 Ų | 57 | 69.2 Ų | 69.2 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | A740 L747 A748 | A740-S744 VanDerWaalsContact O-CB 3.27Å; A740-S744 WeakPolarHBondContact O-CB 3.39Å; A740-S744 PolarHBondContact O-N 3.37Å; A740-S744 PolarHBondContact O-OG 3.13Å; S744-L747 PolarHBondContact O-N 2.8Å; S744-A748 PolarHBondContact O-N 2.71Å |
| 745 | L | 68 | Low | 61.5 | Low | 74 Ų | 74 | 65.6 Ų | 65.6 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 179.6 | -174.7 | 63.4 | 0 | 0 | 0 | 110.6 | T574 D741 L747 A748 N749 | T574-L745 HydrophobicContact CG2-CD1 4.19Å; T574-L745 HydrophobicContact CG2-CD2 4.28Å; D741-L745 VanDerWaalsContact O-CB 3.31Å; D741-L745 WeakPolarHBondContact O-CB 3.35Å; D741-L745 PolarHBondContact O-N 2.91Å; L745-L747 VanDerWaalsContact C-N 3.31Å; L745-A748 PolarHBondContact O-N 2.99Å; L745-N749 PolarHBondContact O-N 3.22Å; L745-N749 PolarHBondContact O-ND2 3.48Å |
| 746 | L | 72.1 | Confident | 63.7 | Low | 15 Ų | 15 | 63.8 Ų | 63.8 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.7 | -176.7 | 64.6 | 0 | 0 | 0 | 110.5 | F577 I596 K742 A748 N749 I750 L1101 | F577-L746 HydrophobicContact CD1-CD1 4.11Å; F577-L746 HydrophobicContact CD2-CD1 4.18Å; F577-L746 HydrophobicContact CE1-CD1 4.32Å; F577-L746 HydrophobicContact CE2-CD1 4.35Å; F577-L746 HydrophobicContact CG-CD1 4.03Å; F577-L746 HydrophobicContact CZ-CD1 4.41Å; I596-L746 HydrophobicContact CD1-CB 4.2Å; I596-L746 HydrophobicContact CD1-CD2 3.12Å; I596-L746 HydrophobicContact CD1-CG 3.48Å; I596-L746 VanDerWaalsContact CD1-CG 3.48Å; I596-L746 HydrophobicContact CG1-CD2 4.25Å; K742-L746 PolarHBondContact O-N 3.02Å; K742-L746 VanDerWaalsContact O-N 3.08Å; L746-A748 VanDerWaalsContact C-N 3.28Å; L746-A748 PolarHBondContact O-N 2.89Å; L746-N749 PolarHBondContact O-N 2.85Å; L746-I750 HydrophobicContact CG-CD1 4.01Å; L746-I750 HydrophobicContact CG-CG1 4.46Å; L746-I750 WeakPolarHBondContact O-CG1 3.46Å; L746-I750 PolarHBondContact O-N 2.66Å; L746-L1101 HydrophobicContact CD1-CD2 4.2Å |
| 747 | L | 79.6 | Confident | 65.7 | Low | 26 Ų | 26 | 60.1 Ų | 60.1 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.7 | -174.3 | 59.2 | 0 | 0 | 0 | 110.6 | E593 I596 L600 Y743 S744 L745 N749 I750 Q751 | E593-L747 HydrophobicContact CG-CD1 4.03Å; I596-L747 HydrophobicContact CB-CD1 4.4Å; I596-L747 HydrophobicContact CG2-CB 3.97Å; I596-L747 HydrophobicContact CG2-CD1 4.19Å; L600-L747 HydrophobicContact CD1-CB 4.4Å; L600-L747 HydrophobicContact CD1-CD2 3.54Å; Y743-L747 VanDerWaalsContact O-CB 3.29Å; Y743-L747 WeakPolarHBondContact O-CB 3.33Å; Y743-L747 PolarHBondContact O-N 2.97Å; S744-L747 PolarHBondContact O-N 2.8Å; L745-L747 VanDerWaalsContact C-N 3.31Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 3.18Å; L747-I750 PolarHBondContact O-N 2.93Å; L747-Q751 HydrophobicContact CD1-CG 4.49Å; L747-Q751 WeakPolarHBondContact O-CB 2.8Å; L747-Q751 VanDerWaalsContact O-CG 3.23Å; L747-Q751 WeakPolarHBondContact O-CG 3.36Å; L747-Q751 PolarHBondContact O-N 2.76Å |
| 748 | A | 75.3 | Confident | 67.5 | Low | 47 Ų | 47 | 61.3 Ų | 61.3 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S744 L745 L746 Q751 Q752 | S744-A748 PolarHBondContact O-N 2.71Å; L745-A748 PolarHBondContact O-N 2.99Å; L746-A748 VanDerWaalsContact C-N 3.28Å; L746-A748 PolarHBondContact O-N 2.89Å; A748-Q751 PolarHBondContact O-N 2.87Å; A748-Q752 WeakPolarHBondContact O-CB 3.34Å; A748-Q752 PolarHBondContact O-N 2.86Å |
| 749 | N | 73 | Confident | 68.7 | Low | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | -179.6 | -74.5 | -30.5 | 0 | 0 | 0 | 110.2 | F577 L581 L745 L746 L747 Q751 Q752 V753 | F577-N749 HydrophobicContact CB-CB 4.23Å; F577-N749 WeakPolarHBondContact CD2-ND2 3.11Å; L581-N749 HydrophobicContact CD1-CB 3.58Å; L745-N749 PolarHBondContact O-N 3.22Å; L745-N749 PolarHBondContact O-ND2 3.48Å; L746-N749 PolarHBondContact O-N 2.85Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 3.18Å; N749-Q751 VanDerWaalsContact C-N 3.32Å; N749-Q752 PolarHBondContact O-N 2.69Å; N749-V753 VanDerWaalsContact O-CG2 3.3Å; N749-V753 WeakPolarHBondContact O-CG2 2.66Å; N749-V753 PolarHBondContact O-N 2.59Å; N749-V753 VanDerWaalsContact O-N 3.07Å |
| 750 | I | 75 | Confident | 69.5 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 178.3 | -68.2 | 171.7 | 0 | 0 | 0 | 108.4 | L581 L589 L592 E593 I596 L746 L747 Q752 V753 L754 | L581-I750 HydrophobicContact CD1-CG1 3.98Å; L581-I750 HydrophobicContact CD2-CG1 3.91Å; L589-I750 HydrophobicContact CD1-CG2 4.34Å; L589-I750 HydrophobicContact CG-CG2 3.97Å; L592-I750 HydrophobicContact CB-CD1 4.11Å; L592-I750 HydrophobicContact CD2-CD1 3.19Å; L592-I750 HydrophobicContact CD2-CG1 3.89Å; L592-I750 HydrophobicContact CG-CD1 3.47Å; L592-I750 VanDerWaalsContact CG-CD1 3.47Å; E593-I750 HydrophobicContact CB-CG2 3.86Å; E593-I750 HydrophobicContact CG-CG2 4.48Å; I596-I750 HydrophobicContact CD1-CD1 3.28Å; L746-I750 HydrophobicContact CG-CD1 4.01Å; L746-I750 HydrophobicContact CG-CG1 4.46Å; L746-I750 WeakPolarHBondContact O-CG1 3.46Å; L746-I750 PolarHBondContact O-N 2.66Å; L747-I750 PolarHBondContact O-N 2.93Å; I750-Q752 PolarHBondContact O-N 3.38Å; I750-V753 PolarHBondContact O-N 2.68Å; I750-L754 HydrophobicContact CG2-CD1 3.91Å; I750-L754 HydrophobicContact CG2-CG 4.32Å; I750-L754 WeakPolarHBondContact O-CB 3.45Å; I750-L754 WeakPolarHBondContact O-CG 3.39Å; I750-L754 PolarHBondContact O-N 2.7Å |
| 751 | Q | 80.9 | Confident | 69.8 | Low | 81 Ų | 81 | 70.7 Ų | 70.7 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | -179.9 | -72.3 | 174.1 | -19.9 | 0 | 0 | 110.7 | L747 A748 N749 L754 N755 | L747-Q751 HydrophobicContact CD1-CG 4.49Å; L747-Q751 WeakPolarHBondContact O-CB 2.8Å; L747-Q751 VanDerWaalsContact O-CG 3.23Å; L747-Q751 WeakPolarHBondContact O-CG 3.36Å; L747-Q751 PolarHBondContact O-N 2.76Å; A748-Q751 PolarHBondContact O-N 2.87Å; N749-Q751 VanDerWaalsContact C-N 3.32Å; Q751-L754 PolarHBondContact O-N 2.69Å; Q751-N755 VanDerWaalsContact O-CB 3.3Å; Q751-N755 WeakPolarHBondContact O-CB 3.23Å; Q751-N755 PolarHBondContact O-N 2.9Å; Q751-N755 PolarHBondContact O-ND2 2.66Å |
| 752 | Q | 77.8 | Confident | 69.2 | Low | 94 Ų | 94 | 69.7 Ų | 69.7 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 178.6 | -173.3 | 176.5 | 2 | 0 | 0 | 109.7 | H578 A748 N749 I750 L754 N755 N756 | H578-Q752 PolarHBondContact CE1-OE1 3.13Å; A748-Q752 WeakPolarHBondContact O-CB 3.34Å; A748-Q752 PolarHBondContact O-N 2.86Å; N749-Q752 PolarHBondContact O-N 2.69Å; I750-Q752 PolarHBondContact O-N 3.38Å; Q752-L754 VanDerWaalsContact C-N 3.3Å; Q752-N755 PolarHBondContact O-N 3.01Å; Q752-N756 WeakPolarHBondContact O-CB 3.24Å; Q752-N756 VanDerWaalsContact O-CG 3.24Å; Q752-N756 PolarHBondContact O-N 2.51Å; Q752-N756 PolarHBondContact O-ND2 3.21Å |
| 753 | V | 76.9 | Confident | 68.3 | Low | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.2 | -36 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 108.1 | L581 L589 N749 I750 N755 N756 R757 | L581-V753 HydrophobicContact CB-CB 4.36Å; L581-V753 HydrophobicContact CB-CG1 4.48Å; L581-V753 HydrophobicContact CB-CG2 3.66Å; L581-V753 HydrophobicContact CD1-CG2 4.28Å; L589-V753 HydrophobicContact CD1-CG1 4.45Å; L589-V753 HydrophobicContact CD2-CB 3.85Å; L589-V753 HydrophobicContact CD2-CG1 3.45Å; L589-V753 VanDerWaalsContact CD2-CG1 3.45Å; N749-V753 VanDerWaalsContact O-CG2 3.3Å; N749-V753 WeakPolarHBondContact O-CG2 2.66Å; N749-V753 PolarHBondContact O-N 2.59Å; N749-V753 VanDerWaalsContact O-N 3.07Å; I750-V753 PolarHBondContact O-N 2.68Å; V753-N755 VanDerWaalsContact C-N 3.32Å; V753-N756 PolarHBondContact O-N 3.12Å; V753-R757 HydrophobicContact CG1-CG 4.42Å; V753-R757 WeakPolarHBondContact O-CB 3.43Å; V753-R757 WeakPolarHBondContact O-CG 3.37Å; V753-R757 PolarHBondContact O-N 2.83Å |
| 754 | L | 79.4 | Confident | 67.1 | Low | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 178.1 | -77.3 | 171.9 | 0 | 0 | 0 | 110.3 | M586 L589 E590 E593 I750 Q751 Q752 N756 R757 M758 | M586-L754 HydrophobicContact SD-CD2 3.58Å; M586-L754 VanDerWaalsContact SD-CD2 3.58Å; L589-L754 HydrophobicContact CB-CD2 4.03Å; L589-L754 HydrophobicContact CD2-CB 4.32Å; L589-L754 HydrophobicContact CD2-CD2 3.33Å; L589-L754 HydrophobicContact CD2-CG 3.4Å; L589-L754 HydrophobicContact CG-CD2 3.92Å; L589-L754 HydrophobicContact CG-CG 3.96Å; E590-L754 HydrophobicContact CG-CD2 4.01Å; E593-L754 HydrophobicContact CB-CD1 4.06Å; E593-L754 VanDerWaalsContact CD-CD1 3.45Å; E593-L754 HydrophobicContact CG-CD1 4.21Å; E593-L754 WeakPolarHBondContact OE2-CD1 2.73Å; I750-L754 HydrophobicContact CG2-CD1 3.91Å; I750-L754 HydrophobicContact CG2-CG 4.32Å; I750-L754 WeakPolarHBondContact O-CB 3.45Å; I750-L754 WeakPolarHBondContact O-CG 3.39Å; I750-L754 PolarHBondContact O-N 2.7Å; Q751-L754 PolarHBondContact O-N 2.69Å; Q752-L754 VanDerWaalsContact C-N 3.3Å; L754-N756 VanDerWaalsContact C-N 3.27Å; L754-N756 PolarHBondContact O-N 3.13Å; L754-R757 PolarHBondContact O-N 2.66Å; L754-M758 VanDerWaalsContact O-CB 3.26Å; L754-M758 WeakPolarHBondContact O-CB 3.3Å; L754-M758 WeakPolarHBondContact O-CG 2.97Å; L754-M758 PolarHBondContact O-N 3.09Å |
| 755 | N | 77.6 | Confident | 65.4 | Low | 93 Ų | 93 | 67.4 Ų | 67.4 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69 | -36 | 179.6 | -78.6 | -16.2 | 0 | 0 | 0 | 108.8 | Q751 Q752 V753 R757 R759 | Q751-N755 VanDerWaalsContact O-CB 3.3Å; Q751-N755 WeakPolarHBondContact O-CB 3.23Å; Q751-N755 PolarHBondContact O-N 2.9Å; Q751-N755 PolarHBondContact O-ND2 2.66Å; Q752-N755 PolarHBondContact O-N 3.01Å; V753-N755 VanDerWaalsContact C-N 3.32Å; N755-R757 VanDerWaalsContact C-N 3.32Å; N755-R759 VanDerWaalsContact O-CB 3.27Å; N755-R759 WeakPolarHBondContact O-CB 3.47Å; N755-R759 WeakPolarHBondContact O-CG 3.4Å; N755-R759 PolarHBondContact O-N 2.63Å |
| 756 | N | 75 | Confident | 63.6 | Low | 69 Ų | 69 | 68 Ų | 68 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.7 | -35.6 | -177.8 | -73.8 | -14 | 0 | 0 | 0 | 109.6 | Q752 V753 L754 C760 | Q752-N756 WeakPolarHBondContact O-CB 3.24Å; Q752-N756 VanDerWaalsContact O-CG 3.24Å; Q752-N756 PolarHBondContact O-N 2.51Å; Q752-N756 PolarHBondContact O-ND2 3.21Å; V753-N756 PolarHBondContact O-N 3.12Å; L754-N756 VanDerWaalsContact C-N 3.27Å; L754-N756 PolarHBondContact O-N 3.13Å; N756-C760 PolarHBondContact O-N 2.7Å; N756-C760 PolarHBondContact O-SG 3.44Å |
| 757 | R | 74.1 | Confident | 61.6 | Low | 63 Ų | 63 | 73.1 Ų | 73.1 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -81.3 | -29.1 | -176.7 | -78.6 | -167.7 | -178.3 | -177.7 | 3.6 | 110.3 | S582 L584 M586 V753 L754 N755 R759 C760 D761 | S582-R757 PolarHBondContact O-NH2 3.14Å; L584-R757 VanDerWaalsContact O-CZ 3.28Å; L584-R757 PolarHBondContact O-NH1 2.92Å; L584-R757 PolarHBondContact O-NH2 3.12Å; M586-R757 HydrophobicContact CE-CB 3.5Å; M586-R757 VanDerWaalsContact CE-CB 3.5Å; M586-R757 HydrophobicContact SD-CB 4.21Å; V753-R757 HydrophobicContact CG1-CG 4.42Å; V753-R757 WeakPolarHBondContact O-CB 3.43Å; V753-R757 WeakPolarHBondContact O-CG 3.37Å; V753-R757 PolarHBondContact O-N 2.83Å; L754-R757 PolarHBondContact O-N 2.66Å; N755-R757 VanDerWaalsContact C-N 3.32Å; R757-R759 VanDerWaalsContact C-N 3.3Å; R757-C760 PolarHBondContact O-N 2.67Å; R757-D761 PolarHBondContact O-N 2.73Å |
| 758 | M | 70.1 | Confident | 59.2 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.8 | -31.9 | 176.5 | -75.5 | -145.3 | -103.9 | 0 | 0 | 109.1 | M586 L754 C760 D761 S762 | M586-M758 HydrophobicContact CE-CG 4.1Å; L754-M758 VanDerWaalsContact O-CB 3.26Å; L754-M758 WeakPolarHBondContact O-CB 3.3Å; L754-M758 WeakPolarHBondContact O-CG 2.97Å; L754-M758 PolarHBondContact O-N 3.09Å; M758-C760 VanDerWaalsContact C-N 3.27Å; M758-D761 PolarHBondContact O-N 2.78Å; M758-S762 VanDerWaalsContact O-CB 3.31Å; M758-S762 WeakPolarHBondContact O-CB 3.47Å; M758-S762 PolarHBondContact O-N 2.51Å; M758-S762 PolarHBondContact O-OG 3.44Å |
| 759 | R | 62.1 | Low | 57.1 | Low | 193 Ų | 193 | 82.9 Ų | 82.9 | 73% | 0.728 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.3 | -28.3 | 177.1 | -90.1 | -171.6 | -175.2 | 176.2 | -0.1 | 108.8 | N755 R757 A763 | N755-R759 VanDerWaalsContact O-CB 3.27Å; N755-R759 WeakPolarHBondContact O-CB 3.47Å; N755-R759 WeakPolarHBondContact O-CG 3.4Å; N755-R759 PolarHBondContact O-N 2.63Å; R757-R759 VanDerWaalsContact C-N 3.3Å; R759-A763 VanDerWaalsContact O-CB 3.3Å; R759-A763 WeakPolarHBondContact O-CB 3.29Å; R759-A763 PolarHBondContact O-N 2.82Å |
| 760 | C | 54 | Low | 55.1 | Low | 91 Ų | 91 | 89 Ų | 89 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -82.8 | -21.3 | 179.5 | -71.5 | 0 | 0 | 0 | 0 | 108.3 | N756 R757 M758 | N756-C760 PolarHBondContact O-N 2.7Å; N756-C760 PolarHBondContact O-SG 3.44Å; R757-C760 PolarHBondContact O-N 2.67Å; M758-C760 VanDerWaalsContact C-N 3.27Å |
| 761 | D | 45.7 | Very low | 53 | Low | 110 Ų | 110 | 94.6 Ų | 94.6 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -90.2 | -16 | 174.3 | -77.1 | -17.4 | 0 | 0 | 0 | 110.5 | R757 M758 S765 | R757-D761 PolarHBondContact O-N 2.73Å; M758-D761 PolarHBondContact O-N 2.78Å; D761-S765 PolarHBondContact O-OG 2.96Å |
| 762 | S | 43.7 | Very low | 50.6 | Low | 85 Ų | 85 | 97.7 Ų | 97.7 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -97.9 | -14.4 | 177.2 | -43.2 | 0 | 0 | 0 | 0 | 107.7 | M758 A764 | M758-S762 VanDerWaalsContact O-CB 3.31Å; M758-S762 WeakPolarHBondContact O-CB 3.47Å; M758-S762 PolarHBondContact O-N 2.51Å; M758-S762 PolarHBondContact O-OG 3.44Å; S762-A764 VanDerWaalsContact C-N 3.32Å |
| 763 | A | 41.4 | Very low | 48.5 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -88.8 | -7.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R759 | R759-A763 VanDerWaalsContact O-CB 3.3Å; R759-A763 WeakPolarHBondContact O-CB 3.29Å; R759-A763 PolarHBondContact O-N 2.82Å |
| 764 | A | 37.9 | Very low | 46.3 | Very low | 81 Ų | 81 | 106.7 Ų | 106.7 | 67% | 0.669 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -97.8 | 11.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S762 | S762-A764 VanDerWaalsContact C-N 3.32Š|
| 765 | S | 33.4 | Very low | 44 | Very low | 97 Ų | 97 | 112.3 Ų | 112.3 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -127.2 | 34.6 | 177.1 | -40.9 | 0 | 0 | 0 | 0 | 111.6 | D761 | D761-S765 PolarHBondContact O-OG 2.96Š|
| 766 | A | 30.7 | Very low | 41.6 | Very low | 86 Ų | 86 | 117.5 Ų | 117.5 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -102.8 | 127.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 767 | P | 30.6 | Very low | 39.3 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | trans | -72.4 | 122.8 | -171.6 | 21.2 | 0.7 | 0 | 0 | 0 | 111.7 | ||||
| 768 | H | 29.2 | Very low | 37 | Very low | 178 Ų | 178 | 126 Ų | 126 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | 49.1 | 164.8 | 126.8 | -98.4 | -54.1 | 0 | 0 | 0 | 115.3 | |||||
| 769 | P | 30.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | -170.2 | 132.6 | 59.9 | 32.5 | -4.5 | 0 | 0 | 0 | 109.4 | |||||
| 770 | N | 31.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | 121.4 | 103.3 | 119.1 | -93.4 | -2.2 | 0 | 0 | 0 | 111.1 | |||||
| 771 | S | 31.5 | Very low | 32 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | 160.7 | 89.1 | 119.5 | 60.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 772 | D | 29.5 | Very low | 31.1 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | 30 | 90.5 | 101.8 | -75.2 | -18.9 | 0 | 0 | 0 | 109.5 | |||||
| 773 | N | 33.1 | Very low | 30.2 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | -179.7 | 86.8 | 134.7 | -99.5 | -11 | 0 | 0 | 0 | 109.8 | ||||
| 774 | I | 30.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | 79.8 | 91.6 | 85.4 | -65.3 | 173.8 | 0 | 0 | 0 | 108.5 | |||||
| 775 | T | 30.7 | Very low | 28.9 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | S | Bend | 146.7 | 87.6 | 95.7 | -7.6 | 0 | 0 | 0 | 0 | 112 | |||
| 776 | K | 27.2 | Very low | 28.5 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | S | Bend | 102.9 | 54.5 | 115.7 | -96.7 | -179.4 | -177.8 | 174.3 | 0 | 109.5 | |||
| 777 | N | 26.8 | Very low | 28.3 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -137.7 | 79.2 | 167.2 | -87.4 | -17.1 | 0 | 0 | 0 | 105.6 | ||
| 778 | F | 26.5 | Very low | 28.1 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | 140.1 | 64.5 | 155.6 | -91.2 | -82.8 | 0 | 0 | 0 | 109 | ||||
| 779 | F | 25 | Very low | 28 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.873 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -99.5 | 83.1 | 146.6 | -109.9 | -94.7 | 0 | 0 | 0 | 107.6 | ||
| 780 | N | 29.3 | Very low | 27.5 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | 110.5 | 69 | 93 | -81.2 | -24.4 | 0 | 0 | 0 | 109.7 | |||||
| 781 | Q | 27.3 | Very low | 27.2 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 51% | 0.509 | 73% | 0.732 | S | S | . | * | 4.6 | 82.1 | 108.5 | -115.9 | 174.2 | 16.2 | 0 | 0 | 111.9 | |||||
| 782 | E | 25.8 | Very low | 26.7 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -152.2 | 85.5 | 131.5 | -104.5 | -176.1 | 178.5 | 0 | 0 | 111.2 | ||
| 783 | L | 26 | Very low | 26.4 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | 142.5 | 77.8 | 93.4 | -86.3 | 156.7 | 0 | 0 | 0 | 106.3 | |||||
| 784 | R | 25.6 | Very low | 26 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | 11.2 | 95.2 | 112.1 | -86.2 | -169.4 | -177.4 | 162.4 | -1.7 | 113.1 | S786 | R784-S786 WeakPolarHBondContact CA-OG 3.43Å; R784-S786 WeakPolarHBondContact CB-OG 2.78Å; R784-S786 WeakPolarHBondContact CG-OG 3.39Å | |||
| 785 | T | 26.3 | Very low | 25.7 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | -125.5 | 75.2 | 109.1 | 46.2 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 786 | S | 23.8 | Very low | 25.5 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 51% | 0.51 | 71% | 0.71 | S | S | . | * | -25.6 | 100 | 111.1 | 23.3 | 0 | 0 | 0 | 0 | 111 | R784 | R784-S786 WeakPolarHBondContact CA-OG 3.43Å; R784-S786 WeakPolarHBondContact CB-OG 2.78Å; R784-S786 WeakPolarHBondContact CG-OG 3.39Å | |||
| 787 | S | 27.4 | Very low | 25.6 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 53% | 0.531 | 69% | 0.687 | S | S | . | * | -161 | 78.3 | 120.1 | 36.8 | 0 | 0 | 0 | 0 | 109.3 | I789 | S787-I789 VanDerWaalsContact CB-CD1 3.5Å; S787-I789 PolarHBondContact O-N 3.36Å | |||
| 788 | S | 25.5 | Very low | 25.7 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 90% | 0.895 | 68% | 0.677 | S | S | * | * | -28.4 | 67.8 | 108.9 | 34.3 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 789 | I | 26.8 | Very low | 25.7 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 60% | 0.6 | 68% | 0.677 | S | S | * | * | trans | -76.3 | 113.8 | 154.5 | -64.5 | 172 | 0 | 0 | 0 | 103.9 | S787 I791 | S787-I789 VanDerWaalsContact CB-CD1 3.5Å; S787-I789 PolarHBondContact O-N 3.36Å; I789-I791 PolarHBondContact O-N 3.33Å | ||
| 790 | P | 21.8 | Very low | 25.8 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | -56 | 98.9 | 168.2 | 22.1 | 1.4 | 0 | 0 | 0 | 108.4 | V792 | P790-V792 HydrophobicContact CB-CG2 4.36Š| ||
| 791 | I | 24.6 | Very low | 25.7 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | trans | -85.1 | 79.7 | 166.6 | -57.7 | 173.9 | 0 | 0 | 0 | 105.9 | I789 | I789-I791 PolarHBondContact O-N 3.33Š| ||
| 792 | V | 21.2 | Very low | 25.5 | Very low | 86 Ų | 86 | 134 Ų | 134 | 52% | 0.521 | 70% | 0.697 | S | S | . | * | trans | -40.3 | 114.3 | 131.2 | -159.8 | 0 | 0 | 0 | 0 | 113.2 | P790 | P790-V792 HydrophobicContact CB-CG2 4.36Š| ||
| 793 | F | 22.8 | Very low | 25.5 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 77% | 0.768 | 70% | 0.699 | S | S | * | * | 121.3 | 108.7 | 120.3 | -85.1 | -82 | 0 | 0 | 0 | 110.9 | |||||
| 794 | H | 24.2 | Very low | 25.7 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | 170.9 | 84.6 | 101.8 | -97.2 | -66.7 | 0 | 0 | 0 | 109.2 | |||||
| 795 | E | 25.6 | Very low | 25.9 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | -20.9 | 99.7 | 122.9 | -113.7 | 179.2 | -179.8 | 0 | 0 | 108.2 | |||||
| 796 | K | 26.4 | Very low | 26.1 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 49% | 0.487 | 70% | 0.698 | S | S | . | * | trans | 166.4 | 98.4 | 136.9 | -97.2 | -169.2 | -174.9 | -174 | 0 | 108.5 | G550 T552 | G550-K796 VanDerWaalsContact CA-CE 3.43Å; T552-K796 HydrophobicContact CG2-CB 3.03Å; T552-K796 HydrophobicContact CG2-CD 3.38Å; T552-K796 HydrophobicContact CG2-CG 3.62Å | ||
| 797 | D | 28.5 | Very low | 26.4 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 41% | 0.406 | 71% | 0.711 | S | S | . | * | S | Bend | 157.7 | 89.5 | 117.7 | -98.8 | -8.7 | 0 | 0 | 0 | 111.6 | T552 | T552-D797 WeakPolarHBondContact CB-OD2 3.49Å; T552-D797 HydrophobicContact CG2-CB 3.76Å; T552-D797 WeakPolarHBondContact CG2-OD1 3.09Å; T552-D797 WeakPolarHBondContact CG2-OD2 3.45Å | |
| 798 | D | 29.4 | Very low | 26.6 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | 151.9 | 88.7 | 108.9 | -80 | -18.1 | 0 | 0 | 0 | 110 | N554 | N554-D798 PolarHBondContact ND2-OD2 2.83Š| |||
| 799 | C | 25.4 | Very low | 26.9 | Very low | 104 Ų | 104 | 141 Ų | 141 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | 50.9 | 108 | 95.1 | -66.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 800 | I | 28.6 | Very low | 27.3 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | -154.3 | 85.7 | 110.9 | -62.5 | 173.9 | 0 | 0 | 0 | 107.6 | |||||
| 801 | N | 26.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | -6.2 | 99.7 | 127.6 | -86.8 | -22.5 | 0 | 0 | 0 | 111.6 | |||||
| 802 | Y | 24.4 | Very low | 28.5 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -118.4 | 84.2 | 131.8 | -97.2 | -85.3 | 0 | 0 | 0 | 108.8 | V804 | Y802-V804 HydrophobicContact CD1-CG2 4.02Š| ||
| 803 | R | 24.8 | Very low | 29.1 | Very low | 235 Ų | 235 | 144.2 Ų | 144.2 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -35.1 | 91.4 | 132.9 | -106.3 | -171.9 | -172.2 | 170.5 | 2.1 | 110.1 | ||||
| 804 | V | 29.3 | Very low | 29.8 | Very low | 115 Ų | 115 | 142 Ų | 142 | 70% | 0.697 | 71% | 0.713 | S | S | * | * | trans | -108.7 | 90.8 | 160.3 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | Y802 S806 | Y802-V804 HydrophobicContact CD1-CG2 4.02Å; V804-S806 PolarHBondContact O-N 2.73Å | ||
| 805 | D | 30.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | 19.8 | 78.1 | 130.1 | -90.5 | -17.2 | 0 | 0 | 0 | 110.1 | N807 | D805-N807 PolarHBondContact O-N 2.9Š| ||
| 806 | S | 30.1 | Very low | 30.5 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -47.5 | 42.2 | 158.3 | 18.7 | 0 | 0 | 0 | 0 | 109.8 | V804 | V804-S806 PolarHBondContact O-N 2.73Š|
| 807 | N | 31.7 | Very low | 30.9 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -132.5 | 52.3 | 158 | -78.2 | -15.7 | 0 | 0 | 0 | 112 | D805 | D805-N807 PolarHBondContact O-N 2.9Š| ||
| 808 | K | 31.4 | Very low | 31.3 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -163.9 | 91.3 | 163.5 | -80.7 | -170 | -178.6 | 179.1 | 0 | 109.5 | ||
| 809 | N | 31.8 | Very low | 31.5 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | trans | 75 | 92.5 | 135.7 | -127.9 | -14.8 | 0 | 0 | 0 | 110.9 | E811 | N809-E811 PolarHBondContact O-N 2.94Å; N809-E811 VanDerWaalsContact O-N 3.09Å | ||
| 810 | P | 34.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 151 Ų | 151 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 22.3 | 168.4 | 14 | -8.1 | 0 | 0 | 0 | 109 | ||
| 811 | E | 35 | Very low | 31.8 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 11.2 | -176.9 | -96.4 | 177.8 | -179.5 | 0 | 0 | 110.9 | N809 | N809-E811 PolarHBondContact O-N 2.94Å; N809-E811 VanDerWaalsContact O-N 3.09Å |
| 812 | N | 37.6 | Very low | 32 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 56% | 0.561 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -121.1 | 5.8 | -179.7 | -98.4 | -17.7 | 0 | 0 | 0 | 110 | ||
| 813 | F | 32.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -105.5 | -11.1 | 176.1 | -169 | -99.3 | 0 | 0 | 0 | 109.4 | ||
| 814 | I | 37.9 | Very low | 32.6 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -96.2 | -1.6 | 172.4 | -65.7 | 176.7 | 0 | 0 | 0 | 108.8 | S818 | I814-S818 WeakPolarHBondContact O-CB 3.46Å; I814-S818 PolarHBondContact O-OG 2.86Å |
| 815 | R | 32.4 | Very low | 32.8 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 68% | 0.683 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -106.4 | -8.2 | 176.2 | -153.5 | 177.8 | -174 | 175.3 | -3.3 | 109.7 | N819 | R815-N819 PolarHBondContact O-ND2 3.37Å |
| 816 | R | 31.6 | Very low | 33 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -106.7 | -6.1 | 178.8 | -106.3 | -171.9 | -130.5 | 170.4 | -0.4 | 109.8 | ||
| 817 | V | 35 | Very low | 33.2 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -114.8 | 7.1 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 818 | S | 37.1 | Very low | 33.3 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 57% | 0.566 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -116.5 | 22.4 | 172.8 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | I814 | I814-S818 WeakPolarHBondContact O-CB 3.46Å; I814-S818 PolarHBondContact O-OG 2.86Å |
| 819 | N | 33.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -134.2 | 27.9 | 169.7 | -74.3 | -21.3 | 0 | 0 | 0 | 109.7 | R815 | R815-N819 PolarHBondContact O-ND2 3.37Š|
| 820 | R | 31.2 | Very low | 33.5 | Very low | 232 Ų | 232 | 147.9 Ų | 147.9 | 88% | 0.875 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -134.5 | 34.3 | 173 | -94.7 | -171 | -175.4 | -179.9 | 2.5 | 110.3 | ||
| 821 | L | 30.8 | Very low | 33.4 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -152.8 | 54.6 | 163.8 | -79.9 | 161.9 | 0 | 0 | 0 | 108.5 | ||
| 822 | Q | 30.3 | Very low | 33.3 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -132.2 | 89.7 | 162.3 | -101.2 | 173.5 | 4.4 | 0 | 0 | 107.4 | ||||
| 823 | S | 29.7 | Very low | 33.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 176.8 | 91.4 | 133.2 | 27.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 824 | D | 32.1 | Very low | 33.2 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -98.3 | 143.6 | 132.7 | -129.1 | -15.7 | 0 | 0 | 0 | 111.2 | ||||
| 825 | P | 33.3 | Very low | 33 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -169.3 | 126.9 | 72.9 | 29.4 | -4 | 0 | 0 | 0 | 108.6 | |||||
| 826 | N | 34.1 | Very low | 32.8 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 27.9 | 108.7 | 132.8 | -80.6 | -21.7 | 0 | 0 | 0 | 112.6 | ||||
| 827 | K | 33.8 | Very low | 32.9 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | 160.9 | 99.1 | 128.4 | -103 | -174.1 | -177.8 | 176.3 | 0 | 110 | |||||
| 828 | K | 33.1 | Very low | 32.6 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 96% | 0.957 | 78% | 0.78 | S | S | * | * | 11 | 108.6 | 125.9 | -102.8 | -174.8 | -177.8 | -179.5 | 0 | 112.9 | |||||
| 829 | G | 32.3 | Very low | 32.5 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | 137.7 | 105.8 | 121.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 830 | D | 35.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | 89.6 | 108.1 | 114.6 | -72.8 | -19.4 | 0 | 0 | 0 | 111 | |||||
| 831 | N | 33.6 | Very low | 32.6 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | 115 | 141.2 | 114 | -84.5 | -16.3 | 0 | 0 | 0 | 113.2 | |||||
| 832 | P | 33 | Very low | 32.7 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -107 | 140.9 | -164.1 | 30.2 | -3.2 | 0 | 0 | 0 | 110 | ||||
| 833 | S | 34 | Very low | 32.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 165.7 | 115.9 | 141.6 | 38.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 834 | S | 33.1 | Very low | 33 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 108.8 | 114.9 | 103.7 | 70.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 835 | S | 33.2 | Very low | 33 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 103.3 | 117.3 | 105.3 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 836 | A | 29 | Very low | 33.1 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | 86.6 | 122.8 | 101.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 837 | T | 33 | Very low | 33 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | 140.6 | 114.8 | 107.3 | -43.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 838 | M | 29.2 | Very low | 33 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | 17.5 | 126 | 122.1 | -76.2 | -116.1 | -37.5 | 0 | 0 | 114.1 | |||||
| 839 | V | 34.9 | Very low | 32.7 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | trans | -156.2 | 103.2 | 139.7 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 840 | N | 32.4 | Very low | 32.6 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 12.1 | 128.1 | 119 | -88.7 | -6.8 | 0 | 0 | 0 | 114.3 | |||||
| 841 | G | 34.9 | Very low | 32.1 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 174.4 | 101.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 842 | T | 33.8 | Very low | 32 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | 45.2 | 125.5 | 105.9 | -3.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 843 | E | 32.6 | Very low | 31.7 | Very low | 152 Ų | 152 | 133 Ų | 133 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | 110.2 | 128.4 | 97.8 | -86.6 | -177.5 | 175.6 | 0 | 0 | 111.8 | |||||
| 844 | L | 33.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | 130.4 | 117.6 | 103.4 | -84.3 | 161.8 | 0 | 0 | 0 | 113 | |||||
| 845 | T | 31.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | 80.7 | 127.5 | 100.7 | 39.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 846 | D | 34.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | 119.3 | 120.9 | 105 | -88.8 | -14.8 | 0 | 0 | 0 | 110.9 | |||||
| 847 | S | 32.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | 119.9 | 118.3 | 98.6 | 46.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 848 | N | 34.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | 96.1 | 117.7 | 105.8 | -86.8 | -12.7 | 0 | 0 | 0 | 111.8 | |||||
| 849 | C | 25.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 79.8 | 118.4 | 105.1 | -100.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 850 | K | 31 | Very low | 30.4 | Very low | 208 Ų | 208 | 136.8 Ų | 136.8 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | 166.5 | 108.6 | 120.1 | -90.2 | -173.8 | -176.6 | -179.7 | 0 | 111.8 | |||||
| 851 | R | 25.3 | Very low | 30.2 | Very low | 254 Ų | 254 | 133.7 Ų | 133.7 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | 17.7 | 113.6 | 121.4 | -140.6 | 176.8 | -161.6 | 173.8 | 4.3 | 112 | |||||
| 852 | A | 30.1 | Very low | 29.9 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -169.2 | 101.4 | 136 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 853 | D | 26.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | 10.8 | 112.5 | 118.7 | -91 | -14.9 | 0 | 0 | 0 | 111.1 | |||||
| 854 | T | 32.8 | Very low | 29.4 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -179.1 | 101.5 | 134.1 | 37.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 855 | G | 25.6 | Very low | 29.2 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | 37.1 | 95.4 | 106.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 856 | T | 30.4 | Very low | 29 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -156.6 | 95.3 | 142.7 | -9.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 857 | Y | 24.8 | Very low | 28.7 | Very low | 221 Ų | 221 | 141.1 Ų | 141.1 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | -5.3 | 96.3 | 124.4 | -148.5 | -101.8 | 0 | 0 | 0 | 110.2 | |||||
| 858 | V | 30.6 | Very low | 28.4 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -116.7 | 96.1 | 159.9 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 859 | D | 26.2 | Very low | 28.2 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | trans | -6.8 | 129.7 | 136.6 | -147.3 | -5.6 | 0 | 0 | 0 | 112.1 | S861 | D859-S861 PolarHBondContact OD1-N 2.93Å; D859-S861 PolarHBondContact OD2-OG 3.42Å | ||
| 860 | P | 30.1 | Very low | 28.3 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -134.7 | 88 | 134.2 | 23.3 | 1.5 | 0 | 0 | 0 | 111.9 | ||||
| 861 | S | 26.7 | Very low | 28.2 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 54% | 0.538 | 77% | 0.771 | S | S | . | * | trans | -64 | 96.8 | 130.9 | 43.3 | 0 | 0 | 0 | 0 | 107.7 | D859 | D859-S861 PolarHBondContact OD1-N 2.93Å; D859-S861 PolarHBondContact OD2-OG 3.42Å | ||
| 862 | H | 29.1 | Very low | 28.3 | Very low | 173 Ų | 173 | 137 Ų | 137 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | 137.7 | 85.3 | 146 | -77.5 | -61.8 | 0 | 0 | 0 | 107.4 | ||||
| 863 | S | 29.5 | Very low | 28.2 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -139 | 86.1 | 147.5 | 64.9 | 0 | 0 | 0 | 0 | 109 | N865 | S863-N865 VanDerWaalsContact C-N 3.3Š| ||
| 864 | T | 25.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | -14.5 | 86.7 | 123.8 | 24.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 865 | N | 30 | Very low | 27.9 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -110 | 80.3 | 156.4 | -82.6 | -19.8 | 0 | 0 | 0 | 108 | S863 L867 | S863-N865 VanDerWaalsContact C-N 3.3Å; N865-L867 VanDerWaalsContact C-N 3.3Å; N865-L867 PolarHBondContact O-N 3.46Å | ||
| 866 | Q | 27.2 | Very low | 28.1 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | -13.8 | 86 | 122.7 | -78.1 | -166.3 | 20.7 | 0 | 0 | 108.9 | |||||
| 867 | L | 29 | Very low | 27.9 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -111.3 | 87.2 | 155.4 | -97.3 | 145.5 | 0 | 0 | 0 | 108.6 | N865 V869 | N865-L867 VanDerWaalsContact C-N 3.3Å; N865-L867 PolarHBondContact O-N 3.46Å; L867-V869 HydrophobicContact CD2-CG2 4.44Å | ||
| 868 | N | 25.8 | Very low | 28.1 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | -17.4 | 93.2 | 128.4 | -139.6 | 3.1 | 0 | 0 | 0 | 111.2 | |||||
| 869 | V | 30.7 | Very low | 28 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | -124.9 | 73.9 | 155.9 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | L867 Q871 | L867-V869 HydrophobicContact CD2-CG2 4.44Å; V869-Q871 VanDerWaalsContact C-N 3.34Å; V869-Q871 HydrophobicContact CG1-CB 4.26Å | ||
| 870 | N | 26 | Very low | 27.9 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | -31.8 | 93.5 | 125.6 | -72.1 | -26 | 0 | 0 | 0 | 108.6 | |||||
| 871 | Q | 29.8 | Very low | 27.8 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -170 | 91.5 | 148.7 | -108 | 176.2 | 6.9 | 0 | 0 | 110.1 | V869 | V869-Q871 VanDerWaalsContact C-N 3.34Å; V869-Q871 HydrophobicContact CG1-CB 4.26Å | ||
| 872 | E | 27.1 | Very low | 27.8 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | 36.8 | 100.5 | 116.6 | -118 | -179.4 | 179 | 0 | 0 | 111 | |||||
| 873 | L | 28.6 | Very low | 27.7 | Very low | 181 Ų | 181 | 146 Ų | 146 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | trans | -161.2 | 93.5 | 143 | -93.9 | 139 | 0 | 0 | 0 | 110.9 | ||||
| 874 | A | 26.3 | Very low | 27.5 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | 78.4 | 95.1 | 105.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 875 | V | 26.5 | Very low | 27.4 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -80 | 117.7 | 155.8 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 876 | P | 30.1 | Very low | 27.2 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -80.4 | 113.4 | 167.1 | 13.7 | 4.2 | 0 | 0 | 0 | 109.5 | ||||
| 877 | E | 25.7 | Very low | 27 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | 1.2 | 97.1 | 130.1 | -99.2 | -179.9 | 179.4 | 0 | 0 | 112 | ||||
| 878 | S | 28.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 152 Ų | 152 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -176.1 | 96.7 | 136.6 | 67.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 879 | I | 29.8 | Very low | 26.8 | Very low | 160 Ų | 160 | 155 Ų | 155 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | 140.4 | 84.8 | 105.2 | -63 | 174.7 | 0 | 0 | 0 | 110.2 | |||||
| 880 | Q | 24 | Very low | 26.5 | Very low | 174 Ų | 174 | 161.3 Ų | 161.3 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | -39.8 | 109.8 | 126.7 | -89.5 | 176.6 | 2.8 | 0 | 0 | 110.8 | |||||
| 881 | D | 27 | Very low | 26.5 | Very low | 131 Ų | 131 | 161.4 Ų | 161.4 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | 156.3 | 118.3 | 126.1 | -90.1 | -17.1 | 0 | 0 | 0 | 109.5 | |||||
| 882 | I | 28.5 | Very low | 26.3 | Very low | 152 Ų | 152 | 160.3 Ų | 160.3 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | 142.8 | 102.2 | 106.6 | -63.2 | 170.8 | 0 | 0 | 0 | 109.2 | |||||
| 883 | H | 26.6 | Very low | 26.3 | Very low | 168 Ų | 168 | 157.1 Ų | 157.1 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | 38.5 | 120 | 109.1 | -96 | -72.5 | 0 | 0 | 0 | 112.5 | |||||
| 884 | L | 23.7 | Very low | 26.1 | Very low | 155 Ų | 155 | 156.9 Ų | 156.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | 62.5 | 117.5 | 117.1 | -127.3 | 94.8 | 0 | 0 | 0 | 111.4 | |||||
| 885 | V | 25.3 | Very low | 26.1 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | -178.2 | 110.5 | 129.1 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 886 | K | 25.4 | Very low | 26.2 | Very low | 194 Ų | 194 | 160 Ų | 160 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | 50.4 | 120.3 | 111.9 | -99.2 | -178.7 | -177.5 | 179.7 | 0 | 113.3 | |||||
| 887 | V | 22.5 | Very low | 26 | Very low | 132 Ų | 132 | 160.1 Ų | 160.1 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | 37.6 | 126.3 | 123.4 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 888 | K | 25.5 | Very low | 26.2 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -165.8 | 111.3 | 124.4 | -125.3 | 179.3 | 179.8 | 177.9 | 0 | 109.9 | |||||
| 889 | K | 24.4 | Very low | 26.2 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -11.1 | 119.5 | 135 | -104 | -178 | -178.1 | 178.7 | 0 | 112.8 | ||||
| 890 | R | 25.8 | Very low | 26.1 | Very low | 244 Ų | 244 | 154.7 Ų | 154.7 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -167.8 | 107.7 | 138.1 | -126.4 | 175.5 | 179.9 | 137.6 | 2 | 111.2 | ||||
| 891 | N | 25 | Very low | 26.2 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | 35.4 | 117.3 | 115.8 | -96 | 0.5 | 0 | 0 | 0 | 112.9 | |||||
| 892 | E | 26.5 | Very low | 26.4 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | 120.3 | 110 | 114 | -76.4 | -169.7 | 176.9 | 0 | 0 | 109.3 | |||||
| 893 | N | 26 | Very low | 26.7 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 65% | 0.647 | 80% | 0.797 | S | S | * | * | 96 | 109.6 | 108.9 | -80.9 | -9.5 | 0 | 0 | 0 | 111.4 | |||||
| 894 | F | 25.9 | Very low | 27.3 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 77% | 0.772 | 79% | 0.794 | S | S | * | * | 121.8 | 104.9 | 115.9 | -93.5 | -84.3 | 0 | 0 | 0 | 110.3 | |||||
| 895 | L | 25.1 | Very low | 27.6 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 46.2 | 116.7 | 113.7 | -91 | 149.7 | 0 | 0 | 0 | 111.3 | |||||
| 896 | N | 28.8 | Very low | 28 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | 171.8 | 106.5 | 121 | -87 | -9.8 | 0 | 0 | 0 | 111.1 | |||||
| 897 | S | 27.1 | Very low | 28.6 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | 76.4 | 114.8 | 99.7 | 127.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 898 | G | 28.2 | Very low | 29.1 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | 173.4 | 101.8 | 121.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 899 | C | 28.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 134 Ų | 134 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | 95 | 116.9 | 95.6 | -108.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 900 | V | 29.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 128 Ų | 128 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | 136.2 | 116.9 | 78.3 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 901 | G | 25.4 | Very low | 30.7 | Very low | 62 Ų | 62 | 119.8 Ų | 119.8 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | S | Bend | 171 | 77.2 | 110.7 | 0 | 0 | 0 | 0 | 0 | 112 | |||
| 902 | D | 30.8 | Very low | 31.4 | Very low | 141 Ų | 141 | 116 Ų | 116 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -153.9 | 80 | 148.6 | -84.6 | -14.1 | 0 | 0 | 0 | 108.6 | D904 | D902-D904 PolarHBondContact O-N 2.78Š|
| 903 | T | 34.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | 13.7 | 83.2 | 157.8 | 22.2 | 0 | 0 | 0 | 0 | 111.8 | Q905 | T903-Q905 PolarHBondContact O-N 3.21Š| ||
| 904 | D | 38.6 | Very low | 32.8 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | 12.6 | 11.4 | 119.9 | -88 | -10.9 | 0 | 0 | 0 | 112.9 | D902 Y908 | D902-D904 PolarHBondContact O-N 2.78Å; D904-Y908 WeakPolarHBondContact O-CB 3.35Å | |
| 905 | Q | 30.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 112.2 Ų | 112.2 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -116 | -17.2 | 176.8 | -80.1 | -179.7 | -7.8 | 0 | 0 | 111.1 | T903 L909 | T903-Q905 PolarHBondContact O-N 3.21Å; Q905-L909 WeakPolarHBondContact O-CB 3.41Å; Q905-L909 VanDerWaalsContact O-CD1 3.25Å; Q905-L909 WeakPolarHBondContact O-CD1 3.39Å; Q905-L909 WeakPolarHBondContact O-CG 3.05Å; Q905-L909 PolarHBondContact O-N 2.71Å; Q905-L909 VanDerWaalsContact O-N 3.16Å |
| 906 | S | 34.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 113 Ų | 113 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -92.9 | -19.1 | 179.4 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | S910 | S906-S910 VanDerWaalsContact O-CB 3.25Å; S906-S910 WeakPolarHBondContact O-CB 2.97Å; S906-S910 PolarHBondContact O-N 3.4Å; S906-S910 PolarHBondContact O-OG 2.83Å |
| 907 | I | 38.4 | Very low | 33.8 | Very low | 112 Ų | 112 | 112.5 Ų | 112.5 | 57% | 0.574 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -90.7 | -29.2 | 175.2 | -65.1 | 173.4 | 0 | 0 | 0 | 109.9 | S911 | I907-S911 VanDerWaalsContact O-CB 3.25Å; I907-S911 WeakPolarHBondContact O-CB 3.5Å; I907-S911 PolarHBondContact O-N 3.37Å; I907-S911 PolarHBondContact O-OG 3.25Å |
| 908 | Y | 33 | Very low | 34 | Very low | 158 Ų | 158 | 109 Ų | 109 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.8 | -33 | 172.1 | -174.9 | -101.4 | 0 | 0 | 0 | 110.9 | D904 L912 | D904-Y908 WeakPolarHBondContact O-CB 3.35Å; Y908-L912 HydrophobicContact CD1-CD1 3.96Å; Y908-L912 HydrophobicContact CE1-CD1 3.35Å; Y908-L912 HydrophobicContact CE2-CD1 4.06Å; Y908-L912 VanDerWaalsContact O-CB 3.23Å; Y908-L912 WeakPolarHBondContact O-CB 3.47Å; Y908-L912 PolarHBondContact O-N 2.8Å |
| 909 | L | 35.2 | Very low | 34.1 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 31% | 0.314 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -82.4 | -26.5 | 179.5 | -84.8 | 158.5 | 0 | 0 | 0 | 109.2 | E456 Q905 V913 | E456-L909 WeakPolarHBondContact OE1-CD1 3.34Å; Q905-L909 WeakPolarHBondContact O-CB 3.41Å; Q905-L909 VanDerWaalsContact O-CD1 3.25Å; Q905-L909 WeakPolarHBondContact O-CD1 3.39Å; Q905-L909 WeakPolarHBondContact O-CG 3.05Å; Q905-L909 PolarHBondContact O-N 2.71Å; Q905-L909 VanDerWaalsContact O-N 3.16Å; L909-V913 VanDerWaalsContact O-CB 3.27Å; L909-V913 WeakPolarHBondContact O-CB 3.45Å; L909-V913 WeakPolarHBondContact O-CG2 3.4Å; L909-V913 PolarHBondContact O-N 2.93Å; L909-V913 VanDerWaalsContact O-N 3.07Å |
| 910 | S | 36.8 | Very low | 34.2 | Very low | 74 Ų | 74 | 117 Ų | 117 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -77.4 | -31.2 | 173.9 | -75.3 | 0 | 0 | 0 | 0 | 110.9 | S906 N914 | S906-S910 VanDerWaalsContact O-CB 3.25Å; S906-S910 WeakPolarHBondContact O-CB 2.97Å; S906-S910 PolarHBondContact O-N 3.4Å; S906-S910 PolarHBondContact O-OG 2.83Å; S910-N914 WeakPolarHBondContact O-CB 3.11Å; S910-N914 PolarHBondContact O-N 3.16Å; S910-N914 PolarHBondContact O-ND2 2.56Å |
| 911 | S | 37.5 | Very low | 34 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -80.2 | -23.4 | 175.7 | -72.2 | 0 | 0 | 0 | 0 | 110.4 | I907 K915 | I907-S911 VanDerWaalsContact O-CB 3.25Å; I907-S911 WeakPolarHBondContact O-CB 3.5Å; I907-S911 PolarHBondContact O-N 3.37Å; I907-S911 PolarHBondContact O-OG 3.25Å; S911-K915 WeakPolarHBondContact O-CB 3.12Å; S911-K915 PolarHBondContact O-N 2.84Å |
| 912 | L | 39 | Very low | 34.2 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 32% | 0.319 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -87.8 | -25.7 | -178.4 | -137.8 | 106 | 0 | 0 | 0 | 109.6 | Y908 Y916 | Y908-L912 HydrophobicContact CD1-CD1 3.96Å; Y908-L912 HydrophobicContact CE1-CD1 3.35Å; Y908-L912 HydrophobicContact CE2-CD1 4.06Å; Y908-L912 VanDerWaalsContact O-CB 3.23Å; Y908-L912 WeakPolarHBondContact O-CB 3.47Å; Y908-L912 PolarHBondContact O-N 2.8Å; L912-Y916 HydrophobicContact CB-CD2 4.46Å; L912-Y916 HydrophobicContact CD2-CD2 4.1Å; L912-Y916 HydrophobicContact CD2-CE2 4.12Å; L912-Y916 HydrophobicContact CG-CD2 3.81Å; L912-Y916 HydrophobicContact CG-CE2 3.75Å; L912-Y916 VanDerWaalsContact O-CB 3.26Å; L912-Y916 WeakPolarHBondContact O-CB 3.44Å; L912-Y916 WeakPolarHBondContact O-CD2 2.98Å; L912-Y916 PolarHBondContact O-N 3.18Å; L912-Y916 VanDerWaalsContact O-N 3.08Å |
| 913 | V | 42.4 | Very low | 34 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 47% | 0.467 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -85.1 | -25.1 | 178 | 170.4 | 0 | 0 | 0 | 0 | 109 | L909 L917 | L909-V913 VanDerWaalsContact O-CB 3.27Å; L909-V913 WeakPolarHBondContact O-CB 3.45Å; L909-V913 WeakPolarHBondContact O-CG2 3.4Å; L909-V913 PolarHBondContact O-N 2.93Å; L909-V913 VanDerWaalsContact O-N 3.07Å; V913-L917 HydrophobicContact CG1-CD1 3.7Å; V913-L917 WeakPolarHBondContact O-CB 3.31Å; V913-L917 PolarHBondContact O-N 2.85Å; V913-L917 VanDerWaalsContact O-N 3.16Å |
| 914 | N | 40.5 | Very low | 33.6 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87.6 | -24.8 | 173.5 | -87.5 | -21.2 | 0 | 0 | 0 | 111.8 | S910 | S910-N914 WeakPolarHBondContact O-CB 3.11Å; S910-N914 PolarHBondContact O-N 3.16Å; S910-N914 PolarHBondContact O-ND2 2.56Å |
| 915 | K | 36.7 | Very low | 32.9 | Very low | 162 Ų | 162 | 115.2 Ų | 115.2 | 70% | 0.704 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -83.9 | -21.7 | 176 | -170.1 | 175.3 | -177.3 | 178.9 | 0 | 110.6 | S911 | S911-K915 WeakPolarHBondContact O-CB 3.12Å; S911-K915 PolarHBondContact O-N 2.84Å |
| 916 | Y | 29.8 | Very low | 32.6 | Very low | 169 Ų | 169 | 115.1 Ų | 115.1 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -120.9 | 0.1 | -171.4 | -75.4 | -81.1 | 0 | 0 | 0 | 108.6 | L912 | L912-Y916 HydrophobicContact CB-CD2 4.46Å; L912-Y916 HydrophobicContact CD2-CD2 4.1Å; L912-Y916 HydrophobicContact CD2-CE2 4.12Å; L912-Y916 HydrophobicContact CG-CD2 3.81Å; L912-Y916 HydrophobicContact CG-CE2 3.75Å; L912-Y916 VanDerWaalsContact O-CB 3.26Å; L912-Y916 WeakPolarHBondContact O-CB 3.44Å; L912-Y916 WeakPolarHBondContact O-CD2 2.98Å; L912-Y916 PolarHBondContact O-N 3.18Å; L912-Y916 VanDerWaalsContact O-N 3.08Å |
| 917 | L | 33.6 | Very low | 32.4 | Very low | 138 Ų | 138 | 117.7 Ų | 117.7 | 72% | 0.723 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -133.7 | 17.2 | 179.1 | -79.6 | 154.1 | 0 | 0 | 0 | 108.7 | V913 N919 | V913-L917 HydrophobicContact CG1-CD1 3.7Å; V913-L917 WeakPolarHBondContact O-CB 3.31Å; V913-L917 PolarHBondContact O-N 2.85Å; V913-L917 VanDerWaalsContact O-N 3.16Å; L917-N919 PolarHBondContact O-N 2.91Å |
| 918 | G | 30.3 | Very low | 31.8 | Very low | 52 Ų | 52 | 120.2 Ų | 120.2 | 54% | 0.536 | 68% | 0.679 | S | S | . | * | trans | -74.5 | 90.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K920 | G918-K920 PolarHBondContact O-N 3.39Š| ||
| 919 | N | 30.4 | Very low | 31.6 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | trans | -47.9 | 82.8 | 144.1 | -81.1 | -13.1 | 0 | 0 | 0 | 108.5 | L917 | L917-N919 PolarHBondContact O-N 2.91Š| ||
| 920 | K | 30.2 | Very low | 31.3 | Very low | 202 Ų | 202 | 124.5 Ų | 124.5 | 88% | 0.878 | 72% | 0.718 | S | S | * | * | 3.4 | 104.5 | 127.8 | -82.5 | -165.2 | -179.1 | -179.9 | 0 | 112.9 | G918 | G918-K920 PolarHBondContact O-N 3.39Š| |||
| 921 | A | 25.9 | Very low | 30.9 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | 88.9 | 101.1 | 103.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 922 | V | 29.6 | Very low | 30.5 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 94% | 0.939 | 73% | 0.731 | S | S | * | * | trans | -127.1 | 91.6 | 138.2 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 923 | D | 27.1 | Very low | 30.1 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -14.7 | 108.1 | 136.1 | -92.6 | -13.2 | 0 | 0 | 0 | 111.6 | ||||
| 924 | S | 25.4 | Very low | 29.6 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | 151.9 | 104.5 | 114 | 65.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 925 | G | 25.2 | Very low | 29.6 | Very low | 61 Ų | 61 | 127.1 Ų | 127.1 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | 116.3 | 95.6 | 120.6 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 926 | T | 24.3 | Very low | 30 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | 95.2 | 101.4 | 128.2 | 39.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 927 | V | 28.5 | Very low | 30.8 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | 156 | 98.4 | 126.4 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 928 | D | 25.9 | Very low | 31.8 | Very low | 165 Ų | 165 | 115.3 Ų | 115.3 | 88% | 0.882 | 70% | 0.701 | S | S | * | * | trans | 59.5 | 86.3 | 132.9 | -95.6 | -15.2 | 0 | 0 | 0 | 111.2 | ||||
| 929 | T | 29 | Very low | 32.7 | Very low | 145 Ų | 145 | 120 Ų | 120 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | trans | -91.5 | 96.8 | 174 | 15.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 930 | D | 29.4 | Very low | 33.4 | Very low | 162 Ų | 162 | 114.9 Ų | 114.9 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | trans | -45.1 | 86.6 | 142.7 | -81.6 | -16.3 | 0 | 0 | 0 | 110.3 | S932 | D930-S932 PolarHBondContact O-N 3.32Š| ||
| 931 | S | 27.4 | Very low | 34.2 | Very low | 120 Ų | 120 | 105.3 Ų | 105.3 | 84% | 0.839 | 65% | 0.652 | S | S | * | * | trans | -33.6 | 81.6 | 157.2 | 67.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 932 | S | 28.9 | Very low | 35.4 | Very low | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | trans | -69.3 | 84.4 | 160.2 | 86.5 | 0 | 0 | 0 | 0 | 108.3 | D930 V934 | D930-S932 PolarHBondContact O-N 3.32Å; S932-V934 VanDerWaalsContact C-N 3.29Å; S932-V934 PolarHBondContact O-N 3.47Å; S932-V934 VanDerWaalsContact O-N 3.08Å | ||
| 933 | T | 31.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 100.3 Ų | 100.3 | 63% | 0.632 | 61% | 0.608 | S | S | * | * | trans | -35.4 | 91.3 | 159.4 | 47.6 | 0 | 0 | 0 | 0 | 108.8 | V935 | T933-V935 PolarHBondContact O-N 2.88Š| ||
| 934 | V | 31.5 | Very low | 37.7 | Very low | 119 Ų | 119 | 95 Ų | 95 | 72% | 0.721 | 58% | 0.577 | S | S | * | * | trans | -46.5 | 87.5 | 169.5 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | S932 | S932-V934 VanDerWaalsContact C-N 3.29Å; S932-V934 PolarHBondContact O-N 3.47Å; S932-V934 VanDerWaalsContact O-N 3.08Å | ||
| 935 | V | 40.1 | Very low | 39.2 | Very low | 63 Ų | 63 | 89.3 Ų | 89.3 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | trans | -67.2 | 109.5 | 164.4 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | V185 T933 Y937 | V185-V935 HydrophobicContact CG1-CG2 3.68Å; T933-V935 PolarHBondContact O-N 2.88Å; V935-Y937 PolarHBondContact O-N 2.8Å | ||
| 936 | D | 45.5 | Very low | 40.8 | Very low | 147 Ų | 147 | 92.1 Ų | 92.1 | 79% | 0.786 | 53% | 0.533 | S | S | * | . | trans | -65.5 | 87.8 | 179.7 | -94.4 | -14.2 | 0 | 0 | 0 | 108.9 | ||||
| 937 | Y | 47.6 | Very low | 42.2 | Very low | 30 Ų | 30 | 93.8 Ų | 93.8 | 12% | 0.118 | 52% | 0.524 | C | S | . | . | trans | -66.6 | 137.9 | 171.5 | -70.6 | -66.7 | 0 | 0 | 0 | 110 | S187 L188 L189 V935 T941 M945 | S187-Y937 WeakPolarHBondContact CB-OH 3.41Å; S187-Y937 PolarHBondContact OG-OH 3.25Å; L188-Y937 HydrophobicContact CB-CE2 3.95Å; L188-Y937 HydrophobicContact CD1-CD2 4.38Å; L188-Y937 HydrophobicContact CD1-CE2 4.3Å; L188-Y937 HydrophobicContact CG-CE2 4.46Å; L189-Y937 PolarHBondContact N-OH 3.44Å; V935-Y937 PolarHBondContact O-N 2.8Å; Y937-T941 HydrophobicContact CD1-CG2 3.46Å; Y937-T941 VanDerWaalsContact CD1-CG2 3.46Å; Y937-T941 HydrophobicContact CE1-CG2 4.23Å; Y937-T941 HydrophobicContact CG-CG2 3.88Å; Y937-M945 HydrophobicContact CD2-SD 4.45Å | ||
| 938 | S | 53.1 | Low | 43.3 | Very low | 43 Ų | 43 | 91 Ų | 91 | 30% | 0.301 | 50% | 0.502 | S | S | . | . | trans | -57.6 | 149.2 | 168.5 | 67.1 | 0 | 0 | 0 | 0 | 109.2 | A940 T941 L942 | S938-A940 PolarHBondContact O-N 3.29Å; S938-T941 WeakPolarHBondContact O-CA 3.37Å; S938-T941 VanDerWaalsContact O-CB 3.26Å; S938-T941 WeakPolarHBondContact O-CB 3.48Å; S938-T941 PolarHBondContact O-N 3.13Å; S938-T941 WeakPolarHBondContact OG-CB 3.25Å; S938-T941 PolarHBondContact OG-N 3.12Å; S938-T941 PolarHBondContact OG-OG1 3.23Å; S938-L942 PolarHBondContact O-N 2.54Å | ||
| 939 | L | 49.8 | Very low | 44.5 | Very low | 151 Ų | 151 | 85.7 Ų | 85.7 | 79% | 0.791 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -51.5 | -34.1 | 175.6 | -98.9 | 124.1 | 0 | 0 | 0 | 111.5 | T941 L942 D943 | L939-T941 PolarHBondContact O-N 3.43Å; L939-L942 PolarHBondContact O-N 3.04Å; L939-D943 VanDerWaalsContact O-CB 3.23Å; L939-D943 WeakPolarHBondContact O-CB 3.27Å; L939-D943 PolarHBondContact O-N 2.92Å |
| 940 | A | 44.9 | Very low | 45.5 | Very low | 60 Ų | 60 | 79.4 Ų | 79.4 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S938 L942 D943 Y944 | S938-A940 PolarHBondContact O-N 3.29Å; A940-L942 VanDerWaalsContact C-N 3.35Å; A940-D943 PolarHBondContact O-N 3.12Å; A940-Y944 VanDerWaalsContact O-CB 3.32Å; A940-Y944 WeakPolarHBondContact O-CB 3.5Å; A940-Y944 PolarHBondContact O-N 3.3Å |
| 941 | T | 48 | Very low | 46.5 | Very low | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -72.1 | -40.1 | -176.6 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | L233 Y937 S938 L939 D943 Y944 M945 | L233-T941 HydrophobicContact CD1-CG2 3.5Å; L233-T941 VanDerWaalsContact CD1-CG2 3.5Å; L233-T941 HydrophobicContact CG-CG2 4.37Å; Y937-T941 HydrophobicContact CD1-CG2 3.46Å; Y937-T941 VanDerWaalsContact CD1-CG2 3.46Å; Y937-T941 HydrophobicContact CE1-CG2 4.23Å; Y937-T941 HydrophobicContact CG-CG2 3.88Å; S938-T941 WeakPolarHBondContact O-CA 3.37Å; S938-T941 VanDerWaalsContact O-CB 3.26Å; S938-T941 WeakPolarHBondContact O-CB 3.48Å; S938-T941 PolarHBondContact O-N 3.13Å; S938-T941 WeakPolarHBondContact OG-CB 3.25Å; S938-T941 PolarHBondContact OG-N 3.12Å; S938-T941 PolarHBondContact OG-OG1 3.23Å; L939-T941 PolarHBondContact O-N 3.43Å; T941-D943 VanDerWaalsContact C-N 3.33Å; T941-D943 PolarHBondContact O-N 2.86Å; T941-Y944 PolarHBondContact O-N 3.01Å; T941-M945 HydrophobicContact CG2-CG 4.42Å; T941-M945 HydrophobicContact CG2-SD 4.3Å; T941-M945 WeakPolarHBondContact O-CB 3.43Å; T941-M945 WeakPolarHBondContact O-CG 3.33Å; T941-M945 PolarHBondContact O-N 3.02Å |
| 942 | L | 50.6 | Low | 47.2 | Very low | 59 Ų | 59 | 71.2 Ų | 71.2 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69 | -39.2 | 177.9 | -80.5 | 162.1 | 0 | 0 | 0 | 111 | S938 L939 A940 Y944 M945 K946 I951 | S938-L942 PolarHBondContact O-N 2.54Å; L939-L942 PolarHBondContact O-N 3.04Å; A940-L942 VanDerWaalsContact C-N 3.35Å; L942-Y944 VanDerWaalsContact C-N 3.31Å; L942-M945 PolarHBondContact O-N 3.3Å; L942-K946 WeakPolarHBondContact O-CB 3.48Å; L942-K946 PolarHBondContact O-N 2.9Å; L942-I951 HydrophobicContact CD2-CD1 3.69Å |
| 943 | D | 55.9 | Low | 47.8 | Very low | 75 Ų | 75 | 71.1 Ų | 71.1 | 40% | 0.401 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 175.4 | -163.5 | 50.7 | 0 | 0 | 0 | 112.4 | L939 A940 T941 M945 K946 R947 | L939-D943 VanDerWaalsContact O-CB 3.23Å; L939-D943 WeakPolarHBondContact O-CB 3.27Å; L939-D943 PolarHBondContact O-N 2.92Å; A940-D943 PolarHBondContact O-N 3.12Å; T941-D943 VanDerWaalsContact C-N 3.33Å; T941-D943 PolarHBondContact O-N 2.86Å; D943-M945 VanDerWaalsContact C-N 3.31Å; D943-K946 WeakPolarHBondContact O-CB 3.49Å; D943-K946 PolarHBondContact O-N 3.32Å; D943-R947 WeakPolarHBondContact O-CB 3.3Å; D943-R947 VanDerWaalsContact O-CG 3.24Å; D943-R947 WeakPolarHBondContact O-CG 3.13Å; D943-R947 PolarHBondContact O-N 3.45Å; D943-R947 IonicContact OD2-CZ 3.9Å; D943-R947 IonicContact OD2-NE 2.84Å; D943-R947 PolarHBondContact OD2-NE 3.4Å; D943-R947 IonicContact OD2-NH2 2.61Å |
| 944 | Y | 49.4 | Very low | 48.3 | Very low | 37 Ų | 37 | 69.9 Ų | 69.9 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.4 | 176.4 | -92.4 | 0 | 0 | 0 | 108.1 | L233 T235 A940 T941 L942 K946 R947 H948 I950 | L233-Y944 HydrophobicContact CD1-CD1 3.18Å; L233-Y944 HydrophobicContact CD1-CE1 3.75Å; L233-Y944 HydrophobicContact CD1-CG 4.02Å; L233-Y944 HydrophobicContact CD2-CD1 4.02Å; L233-Y944 HydrophobicContact CD2-CE1 3.64Å; L233-Y944 HydrophobicContact CG-CD1 4.13Å; L233-Y944 HydrophobicContact CG-CE1 4.19Å; T235-Y944 HydrophobicContact CG2-CD2 4.33Å; T235-Y944 HydrophobicContact CG2-CE2 4.22Å; A940-Y944 VanDerWaalsContact O-CB 3.32Å; A940-Y944 WeakPolarHBondContact O-CB 3.5Å; A940-Y944 PolarHBondContact O-N 3.3Å; T941-Y944 PolarHBondContact O-N 3.01Å; L942-Y944 VanDerWaalsContact C-N 3.31Å; Y944-K946 PolarHBondContact O-N 2.69Å; Y944-R947 PolarHBondContact O-N 2.87Å; Y944-R947 VanDerWaalsContact O-N 3.16Å; Y944-H948 AromaticContact CD1-CD2 3.85Å; Y944-H948 AromaticContact CD2-CD2 3.26Å; Y944-H948 WeakPolarHBondContact CD2-CD2 3.09Å; Y944-H948 AromaticContact CD2-NE2 3.47Å; Y944-H948 WeakPolarHBondContact CD2-NE2 3.33Å; Y944-H948 AromaticContact CE1-CD2 3.69Å; Y944-H948 AromaticContact CE2-CD2 3.08Å; Y944-H948 WeakPolarHBondContact CE2-CD2 3.47Å; Y944-H948 AromaticContact CE2-NE2 2.99Å; Y944-H948 WeakPolarHBondContact CE2-NE2 3.19Å; Y944-H948 AromaticContact CG-CD2 3.7Å; Y944-H948 AromaticContact CZ-CD2 3.3Å; Y944-H948 AromaticContact CZ-NE2 3.5Å; Y944-H948 WeakPolarHBondContact O-CB 3.32Å; Y944-H948 PolarHBondContact O-CD2 2.53Å; Y944-H948 PolarHBondContact O-N 3.07Å; Y944-I950 HydrophobicContact CD1-CD1 4.36Å; Y944-I950 HydrophobicContact CE1-CD1 4.16Å |
| 945 | M | 56.2 | Low | 48.5 | Very low | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -31.8 | -178.5 | -69.2 | 178.7 | 82.7 | 0 | 0 | 110.7 | L188 L189 L233 Y937 T941 L942 D943 G949 I950 I951 | L188-M945 HydrophobicContact CB-CE 3.97Å; L189-M945 HydrophobicContact CB-CE 4.33Å; L233-M945 HydrophobicContact CD1-CG 3.9Å; Y937-M945 HydrophobicContact CD2-SD 4.45Å; T941-M945 HydrophobicContact CG2-CG 4.42Å; T941-M945 HydrophobicContact CG2-SD 4.3Å; T941-M945 WeakPolarHBondContact O-CB 3.43Å; T941-M945 WeakPolarHBondContact O-CG 3.33Å; T941-M945 PolarHBondContact O-N 3.02Å; L942-M945 PolarHBondContact O-N 3.3Å; D943-M945 VanDerWaalsContact C-N 3.31Å; M945-G949 PolarHBondContact O-N 2.69Å; M945-I950 HydrophobicContact CB-CB 3.97Å; M945-I950 HydrophobicContact CB-CG2 4.34Å; M945-I950 HydrophobicContact CE-CG2 3.65Å; M945-I950 HydrophobicContact CG-CB 4.43Å; M945-I950 HydrophobicContact CG-CD1 4.4Å; M945-I950 HydrophobicContact CG-CG2 4.4Å; M945-I950 VanDerWaalsContact O-CA 3.31Å; M945-I950 WeakPolarHBondContact O-CA 3.44Å; M945-I950 WeakPolarHBondContact O-CB 3.36Å; M945-I950 PolarHBondContact O-N 3.02Å; M945-I951 HydrophobicContact CB-CD1 3.73Å; M945-I951 HydrophobicContact CB-CG1 3.56Å; M945-I951 HydrophobicContact CB-CG2 4.47Å; M945-I951 HydrophobicContact CE-CG2 3.68Å; M945-I951 PolarHBondContact O-N 3.28Å; M945-I951 HydrophobicContact SD-CD1 4.41Å |
| 946 | K | 60 | Low | 48.4 | Very low | 120 Ų | 120 | 71.3 Ų | 71.3 | 52% | 0.522 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.1 | -42.5 | 177.6 | -168.8 | 176.9 | 176.3 | -178.2 | 0 | 111.1 | L942 D943 Y944 H948 G949 | L942-K946 WeakPolarHBondContact O-CB 3.48Å; L942-K946 PolarHBondContact O-N 2.9Å; D943-K946 WeakPolarHBondContact O-CB 3.49Å; D943-K946 PolarHBondContact O-N 3.32Å; Y944-K946 PolarHBondContact O-N 2.69Å; K946-H948 PolarHBondContact O-N 2.79Å; K946-G949 PolarHBondContact O-N 3.21Å; K946-G949 VanDerWaalsContact O-N 3.16Å |
| 947 | R | 52.3 | Low | 47.9 | Very low | 172 Ų | 172 | 72.9 Ų | 72.9 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.3 | -23.9 | -174.9 | -79 | -169.2 | -80.2 | 179.8 | 1.3 | 110.2 | D943 Y944 G949 | D943-R947 WeakPolarHBondContact O-CB 3.3Å; D943-R947 VanDerWaalsContact O-CG 3.24Å; D943-R947 WeakPolarHBondContact O-CG 3.13Å; D943-R947 PolarHBondContact O-N 3.45Å; D943-R947 IonicContact OD2-CZ 3.9Å; D943-R947 IonicContact OD2-NE 2.84Å; D943-R947 PolarHBondContact OD2-NE 3.4Å; D943-R947 IonicContact OD2-NH2 2.61Å; Y944-R947 PolarHBondContact O-N 2.87Å; Y944-R947 VanDerWaalsContact O-N 3.16Å; R947-G949 VanDerWaalsContact C-N 3.33Å |
| 948 | H | 51.3 | Low | 47.3 | Very low | 75 Ų | 75 | 78.9 Ų | 78.9 | 35% | 0.347 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 16 | -173.6 | -73.7 | -79.5 | 0 | 0 | 0 | 108.7 | R217 Y944 K946 I950 | R217-H948 VanDerWaalsContact CZ-O 3.24Å; R217-H948 PolarHBondContact NH2-O 3.17Å; Y944-H948 AromaticContact CD1-CD2 3.85Å; Y944-H948 AromaticContact CD2-CD2 3.26Å; Y944-H948 WeakPolarHBondContact CD2-CD2 3.09Å; Y944-H948 AromaticContact CD2-NE2 3.47Å; Y944-H948 WeakPolarHBondContact CD2-NE2 3.33Å; Y944-H948 AromaticContact CE1-CD2 3.69Å; Y944-H948 AromaticContact CE2-CD2 3.08Å; Y944-H948 WeakPolarHBondContact CE2-CD2 3.47Å; Y944-H948 AromaticContact CE2-NE2 2.99Å; Y944-H948 WeakPolarHBondContact CE2-NE2 3.19Å; Y944-H948 AromaticContact CG-CD2 3.7Å; Y944-H948 AromaticContact CZ-CD2 3.3Å; Y944-H948 AromaticContact CZ-NE2 3.5Å; Y944-H948 WeakPolarHBondContact O-CB 3.32Å; Y944-H948 PolarHBondContact O-CD2 2.53Å; Y944-H948 PolarHBondContact O-N 3.07Å; K946-H948 PolarHBondContact O-N 2.79Å; H948-I950 HydrophobicContact CB-CD1 4.28Å; H948-I950 HydrophobicContact CB-CG1 4.21Å; H948-I950 PolarHBondContact O-N 3.39Å |
| 949 | G | 51.1 | Low | 46.5 | Very low | 52 Ų | 52 | 79.7 Ų | 79.7 | 54% | 0.536 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 23.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M945 K946 R947 | M945-G949 PolarHBondContact O-N 2.69Å; K946-G949 PolarHBondContact O-N 3.21Å; K946-G949 VanDerWaalsContact O-N 3.16Å; R947-G949 VanDerWaalsContact C-N 3.33Å |
| 950 | I | 51.2 | Low | 45.7 | Very low | 14 Ų | 14 | 79.4 Ų | 79.4 | 7% | 0.072 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -79.9 | -29.2 | 179.7 | -57.6 | 176.3 | 0 | 0 | 0 | 110 | L189 S192 L233 Y944 M945 H948 | L189-I950 HydrophobicContact CD1-CG2 4.41Å; S192-I950 WeakPolarHBondContact OG-CG2 3.43Å; S192-I950 PolarHBondContact OG-O 2.72Å; L233-I950 HydrophobicContact CD2-CD1 4.45Å; Y944-I950 HydrophobicContact CD1-CD1 4.36Å; Y944-I950 HydrophobicContact CE1-CD1 4.16Å; M945-I950 HydrophobicContact CB-CB 3.97Å; M945-I950 HydrophobicContact CB-CG2 4.34Å; M945-I950 HydrophobicContact CE-CG2 3.65Å; M945-I950 HydrophobicContact CG-CB 4.43Å; M945-I950 HydrophobicContact CG-CD1 4.4Å; M945-I950 HydrophobicContact CG-CG2 4.4Å; M945-I950 VanDerWaalsContact O-CA 3.31Å; M945-I950 WeakPolarHBondContact O-CA 3.44Å; M945-I950 WeakPolarHBondContact O-CB 3.36Å; M945-I950 PolarHBondContact O-N 3.02Å; H948-I950 HydrophobicContact CB-CD1 4.28Å; H948-I950 HydrophobicContact CB-CG1 4.21Å; H948-I950 PolarHBondContact O-N 3.39Å |
| 951 | I | 50.5 | Low | 45.4 | Very low | 17 Ų | 17 | 82.8 Ų | 82.8 | 9% | 0.087 | 44% | 0.442 | C | S | . | . | trans | -142.3 | 143.6 | 176.1 | 57.6 | 169.8 | 0 | 0 | 0 | 107.9 | L942 M945 | L942-I951 HydrophobicContact CD2-CD1 3.69Å; M945-I951 HydrophobicContact CB-CD1 3.73Å; M945-I951 HydrophobicContact CB-CG1 3.56Å; M945-I951 HydrophobicContact CB-CG2 4.47Å; M945-I951 HydrophobicContact CE-CG2 3.68Å; M945-I951 PolarHBondContact O-N 3.28Å; M945-I951 HydrophobicContact SD-CD1 4.41Å | ||
| 952 | E | 42.1 | Very low | 44.7 | Very low | 92 Ų | 92 | 84.7 Ų | 84.7 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.9 | 170.2 | -150.5 | 171.1 | 179.2 | 0 | 0 | 108.3 | S962 | E952-S962 VanDerWaalsContact OE2-CB 3.32Å; E952-S962 WeakPolarHBondContact OE2-CB 3.35Å; E952-S962 PolarHBondContact OE2-OG 2.86Å |
| 953 | C | 41.5 | Very low | 43.8 | Very low | 63 Ų | 63 | 88.4 Ų | 88.4 | 43% | 0.426 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 106.8 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 107.2 | ||
| 954 | C | 41.5 | Very low | 42.4 | Very low | 77 Ų | 77 | 87.2 Ų | 87.2 | 52% | 0.52 | 48% | 0.482 | S | S | . | . | trans | -76.9 | 110.7 | 166.3 | -74 | 0 | 0 | 0 | 0 | 107.8 | D956 | C954-D956 CarbonylContact O-C 3.56Å; C954-D956 WeakPolarHBondContact O-CA 3.17Å; C954-D956 PolarHBondContact O-N 3.14Å | ||
| 955 | G | 36.8 | Very low | 41.4 | Very low | 84 Ų | 84 | 91.4 Ų | 91.4 | 87% | 0.866 | 51% | 0.514 | S | S | * | . | S | Bend | trans | 1.6 | 6.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 956 | D | 36.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 97.8 Ų | 97.8 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -122 | 74.6 | 165.4 | -68.6 | -13.6 | 0 | 0 | 0 | 113.2 | C954 K958 | C954-D956 CarbonylContact O-C 3.56Å; C954-D956 WeakPolarHBondContact O-CA 3.17Å; C954-D956 PolarHBondContact O-N 3.14Å; D956-K958 PolarHBondContact O-N 3.27Å |
| 957 | N | 36.8 | Very low | 38.7 | Very low | 180 Ų | 180 | 96.3 Ų | 96.3 | 96% | 0.963 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 19.1 | 0 | 165.2 | -68.1 | -18.8 | 0 | 0 | 0 | 113.7 | ||
| 958 | K | 34.6 | Very low | 37.5 | Very low | 156 Ų | 156 | 92.5 Ų | 92.5 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | 0 | 97.2 | 0 | -66.3 | -166.5 | -179.4 | -178.8 | 0 | 110.4 | D956 K960 | D956-K958 PolarHBondContact O-N 3.27Å; K958-K960 VanDerWaalsContact C-N 3.35Å; K958-K960 PolarHBondContact O-N 2.46Å; K958-K960 VanDerWaalsContact O-N 3.13Å | |||
| 959 | C | 35.6 | Very low | 36.3 | Very low | 60 Ų | 60 | 94.7 Ų | 94.7 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -57.7 | 91.5 | 169.5 | -77.7 | 0 | 0 | 0 | 0 | 108 | ||
| 960 | K | 34.1 | Very low | 35.1 | Very low | 145 Ų | 145 | 97.4 Ų | 97.4 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.9 | 170.9 | -76.5 | -174.1 | -179.5 | -179.5 | 0 | 109.8 | K958 S962 | K958-K960 VanDerWaalsContact C-N 3.35Å; K958-K960 PolarHBondContact O-N 2.46Å; K958-K960 VanDerWaalsContact O-N 3.13Å; K960-S962 PolarHBondContact O-N 3.42Å |
| 961 | Q | 38.4 | Very low | 33.9 | Very low | 131 Ų | 131 | 102.8 Ų | 102.8 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | trans | -36 | 111.8 | 166.9 | -113.4 | 175.7 | 13.5 | 0 | 0 | 109.4 | T195 T963 | T195-Q961 HydrophobicContact CG2-CG 4.22Å; Q961-T963 PolarHBondContact O-N 3.5Å; Q961-T963 VanDerWaalsContact O-N 3.17Å | ||
| 962 | S | 31.8 | Very low | 32.7 | Very low | 41 Ų | 41 | 107.7 Ų | 107.7 | 29% | 0.287 | 66% | 0.659 | S | S | . | * | trans | -57.1 | 111 | 177.4 | 173 | 0 | 0 | 0 | 0 | 107.5 | E952 K960 A964 | E952-S962 VanDerWaalsContact OE2-CB 3.32Å; E952-S962 WeakPolarHBondContact OE2-CB 3.35Å; E952-S962 PolarHBondContact OE2-OG 2.86Å; K960-S962 PolarHBondContact O-N 3.42Å; S962-A964 PolarHBondContact OG-N 3.06Å | ||
| 963 | T | 31.5 | Very low | 31.9 | Very low | 138 Ų | 138 | 108.4 Ų | 108.4 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | trans | -89.2 | 16.2 | 167 | 22.3 | 0 | 0 | 0 | 0 | 108.7 | Q961 | Q961-T963 PolarHBondContact O-N 3.5Å; Q961-T963 VanDerWaalsContact O-N 3.17Å | ||
| 964 | A | 27.9 | Very low | 31.3 | Very low | 50 Ų | 50 | 111.2 Ų | 111.2 | 41% | 0.413 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -108.7 | 128 | -171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S962 V966 | S962-A964 PolarHBondContact OG-N 3.06Å; A964-V966 PolarHBondContact O-N 2.84Å |
| 965 | P | 28.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 117 Ų | 117 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -48.1 | 106 | 174.4 | 11.1 | 1.3 | 0 | 0 | 0 | 107 | A967 | P965-A967 VanDerWaalsContact C-N 3.29Å; P965-A967 PolarHBondContact O-N 2.91Å | ||
| 966 | V | 33.6 | Very low | 30.3 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -42 | 87.4 | 170.7 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | A964 S968 | A964-V966 PolarHBondContact O-N 2.84Å; V966-S968 PolarHBondContact O-N 3.05Å | ||
| 967 | A | 25.9 | Very low | 29.9 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -46.5 | 89 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P965 S969 | P965-A967 VanDerWaalsContact C-N 3.29Å; P965-A967 PolarHBondContact O-N 2.91Å; A967-S969 VanDerWaalsContact C-N 3.27Å; A967-S969 PolarHBondContact O-N 3.41Å; A967-S969 VanDerWaalsContact O-N 3.13Å | ||
| 968 | S | 26.6 | Very low | 29.5 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -37.1 | 88.2 | 157.3 | 72.3 | 0 | 0 | 0 | 0 | 109.2 | V966 T970 | V966-S968 PolarHBondContact O-N 3.05Å; S968-T970 PolarHBondContact O-N 3.43Å | ||
| 969 | S | 25.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 120 Ų | 120 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | trans | -68.2 | 77.1 | 163.1 | 17.2 | 0 | 0 | 0 | 0 | 107.3 | A967 | A967-S969 VanDerWaalsContact C-N 3.27Å; A967-S969 PolarHBondContact O-N 3.41Å; A967-S969 VanDerWaalsContact O-N 3.13Å | ||
| 970 | T | 26.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -129.7 | 120.9 | 139.5 | -5.7 | 0 | 0 | 0 | 0 | 108.9 | S968 T972 | S968-T970 PolarHBondContact O-N 3.43Å; T970-T972 PolarHBondContact O-N 3.38Å |
| 971 | P | 24.8 | Very low | 28.4 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | -47.8 | 96.9 | 178 | 18 | 3.6 | 0 | 0 | 0 | 108.2 | ||||
| 972 | T | 26.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | -51.5 | 100.1 | 155.7 | 12.5 | 0 | 0 | 0 | 0 | 108.7 | T970 N974 | T970-T972 PolarHBondContact O-N 3.38Å; T972-N974 VanDerWaalsContact C-N 3.3Å | ||
| 973 | A | 25.9 | Very low | 27.7 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -58.8 | 83.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 974 | N | 28.3 | Very low | 27.3 | Very low | 121 Ų | 121 | 130 Ų | 130 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | trans | -39.8 | 110.4 | 150.1 | -83.1 | -12.5 | 0 | 0 | 0 | 111.1 | T972 | T972-N974 VanDerWaalsContact C-N 3.3Š| ||
| 975 | H | 31.5 | Very low | 27.3 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | trans | -107.5 | 89.9 | 135.5 | -92.4 | -70.2 | 0 | 0 | 0 | 109.1 | ||||
| 976 | E | 26.5 | Very low | 27.3 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -56.6 | 117.4 | 146.6 | -98.4 | -174.8 | 175.1 | 0 | 0 | 110.7 | ||||
| 977 | K | 26.8 | Very low | 27.1 | Very low | 205 Ų | 205 | 138.1 Ų | 138.1 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | 175.6 | 107.3 | 118.4 | -85.6 | -175.9 | -179.3 | -178.2 | 0 | 110.5 | |||||
| 978 | A | 28 | Very low | 27.5 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | 163.6 | 98.5 | 120 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 979 | L | 28.1 | Very low | 27.6 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | 111.9 | 103.9 | 103.2 | -117.1 | 112.1 | 0 | 0 | 0 | 111.1 | |||||
| 980 | H | 27.7 | Very low | 27.9 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 68% | 0.676 | 77% | 0.769 | S | S | * | * | 83.1 | 111.1 | 100.2 | -100 | -37.8 | 0 | 0 | 0 | 111.9 | |||||
| 981 | N | 25.4 | Very low | 27.9 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | 90.5 | 109.9 | 106 | -90.2 | -5.9 | 0 | 0 | 0 | 110.6 | |||||
| 982 | Y | 28.7 | Very low | 28.3 | Very low | 222 Ų | 222 | 146.4 Ų | 146.4 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | 179 | 95.5 | 115.7 | -99.2 | -86.1 | 0 | 0 | 0 | 109.5 | |||||
| 983 | T | 27.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | 11.1 | 118.1 | 121.5 | 32.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 984 | C | 23.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | 53.9 | 122.9 | 103.2 | -84.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 985 | F | 27.3 | Very low | 28.4 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | 166.1 | 115.7 | 119 | -93.5 | -82.6 | 0 | 0 | 0 | 110.6 | |||||
| 986 | N | 29.5 | Very low | 28.4 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | 91.7 | 109.1 | 112 | -74.5 | -24.5 | 0 | 0 | 0 | 111.9 | |||||
| 987 | D | 28.3 | Very low | 28.4 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | 35.7 | 165.9 | 127.3 | -124.4 | -10 | 0 | 0 | 0 | 116.8 | |||||
| 988 | P | 35.5 | Very low | 28.7 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | -136.8 | 138.8 | -71.7 | 30.1 | -10.5 | 0 | 0 | 0 | 107.8 | |||||
| 989 | R | 28.2 | Very low | 28.7 | Very low | 229 Ų | 229 | 137.7 Ų | 137.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | 146.4 | 110.3 | 141.9 | -85.5 | -167.3 | -142.2 | -171.8 | -1.1 | 109.8 | ||||
| 990 | D | 31.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | 139.4 | 108 | 121.1 | -101 | -14 | 0 | 0 | 0 | 112 | |||||
| 991 | D | 27.9 | Very low | 28.8 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | 53.4 | 102.9 | 111 | -82.5 | -17.6 | 0 | 0 | 0 | 109.8 | |||||
| 992 | S | 32.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | 156.7 | 104.5 | 125.1 | 70.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 993 | V | 26.8 | Very low | 28.8 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | 48 | 108.7 | 109.5 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 994 | C | 29.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | 171.1 | 114.6 | 125.7 | -80.6 | 0 | 0 | 0 | 0 | 108.5 | M1 | M1-C994 VanDerWaalsContact CE-O 3.25Å; M1-C994 WeakPolarHBondContact CE-O 2.71Å | |||
| 995 | T | 27.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | -10.7 | 148.2 | 150.2 | 31.7 | 0 | 0 | 0 | 0 | 109.3 | M1 | M1-T995 WeakPolarHBondContact CE-O 2.82Š| ||
| 996 | P | 31.2 | Very low | 28.9 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -94 | 139.9 | -134.7 | 23.9 | -2.5 | 0 | 0 | 0 | 104.7 | M1 | M1-P996 HydrophobicContact CE-CB 4.15Å; M1-P996 HydrophobicContact CE-CG 4.37Å; M1-P996 VanDerWaalsContact CE-N 3.25Å; M1-P996 HydrophobicContact SD-CB 4Å; M1-P996 HydrophobicContact SD-CG 4.42Å | ||
| 997 | S | 26.4 | Very low | 28.8 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -163.6 | 112.7 | 160 | 89.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 998 | S | 32.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | 129.9 | 91.6 | 103.5 | 13.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 999 | D | 27.3 | Very low | 28.6 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -13.1 | 174 | 135.2 | -87.9 | -17.5 | 0 | 0 | 0 | 115.2 | ||||
| 1000 | P | 33.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | -149 | 145 | -30.4 | 28.5 | -4 | 0 | 0 | 0 | 109 | ||||
| 1001 | S | 26.1 | Very low | 28.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 150.1 | 112.6 | 136.5 | 57 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1002 | S | 24.5 | Very low | 28.9 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | 76.1 | 122.3 | 106.1 | 73.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 1003 | F | 28.4 | Very low | 28.6 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | 166.1 | 105.2 | 124.4 | -94.1 | -85.6 | 0 | 0 | 0 | 110.3 | |||||
| 1004 | T | 25.8 | Very low | 29 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | 59.9 | 158.6 | 112.3 | 44.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1005 | P | 27.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -104 | 140.6 | -139.5 | 29.8 | -5.6 | 0 | 0 | 0 | 110.5 | ||||
| 1006 | F | 28.5 | Very low | 28.7 | Very low | 217 Ų | 217 | 136.2 Ų | 136.2 | 95% | 0.952 | 78% | 0.776 | S | S | * | * | trans | -104.4 | 101.3 | 169.5 | -98.6 | -84.5 | 0 | 0 | 0 | 109.1 | ||||
| 1007 | V | 26.4 | Very low | 28.3 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -65.2 | 132.9 | 138 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1008 | S | 28 | Very low | 28.3 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | 166.3 | 125.3 | 113.5 | 105.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1009 | K | 31.9 | Very low | 28 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | 150 | 107.8 | 93.6 | -87.5 | -166 | -176.7 | -178.7 | 0 | 110.3 | |||||
| 1010 | D | 28.9 | Very low | 27.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -41 | 177.5 | 141 | -97.4 | -21.6 | 0 | 0 | 0 | 118.1 | ||||
| 1011 | P | 35.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -154.1 | 143.4 | -3.6 | 32.5 | -6.2 | 0 | 0 | 0 | 112.4 | ||||
| 1012 | K | 29.2 | Very low | 27.4 | Very low | 215 Ų | 215 | 141.8 Ų | 141.8 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -165.5 | 103.1 | 142.7 | -92.4 | -178.2 | -175.4 | -179.5 | 0 | 111.2 | ||||
| 1013 | S | 26.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -52.6 | 170.3 | 144.6 | 60 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1014 | P | 34.7 | Very low | 27.4 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | cis | -146.9 | 147.7 | -12 | 32.5 | -5.6 | 0 | 0 | 0 | 113.3 | ||||
| 1015 | D | 25.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -171.1 | 107.8 | 141.4 | -106.8 | -8.3 | 0 | 0 | 0 | 112.7 | ||||
| 1016 | L | 24.1 | Very low | 27.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | 6.3 | 115.2 | 128.3 | -85.9 | 148.8 | 0 | 0 | 0 | 112.2 | |||||
| 1017 | T | 24.6 | Very low | 27.7 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | 158.5 | 104 | 124 | 48.7 | 0 | 0 | 0 | 0 | 108 | |||||
| 1018 | T | 26.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | 132.4 | 102.2 | 122.6 | 41.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1019 | G | 25.1 | Very low | 28.2 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | 98.6 | 90.6 | 117.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1020 | E | 23.8 | Very low | 28 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | 92.7 | 96.5 | 121.6 | -78.5 | -175.4 | 176.4 | 0 | 0 | 112.2 | |||||
| 1021 | S | 25.8 | Very low | 28.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 154.4 | 97.2 | 120.2 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1022 | L | 26.1 | Very low | 27.9 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -22.1 | 117.6 | 155.1 | -92.4 | 144.3 | 0 | 0 | 0 | 111.7 | N1024 | L1022-N1024 PolarHBondContact O-N 2.86Š| ||
| 1023 | P | 26.3 | Very low | 27.8 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 96.7 | 171.5 | 16.3 | -0.6 | 0 | 0 | 0 | 106.6 | I1025 | P1023-I1025 VanDerWaalsContact C-N 3.28Å; P1023-I1025 VanDerWaalsContact O-CG1 3.28Å; P1023-I1025 WeakPolarHBondContact O-CG1 3.24Å; P1023-I1025 PolarHBondContact O-N 3.4Å; P1023-I1025 VanDerWaalsContact O-N 3.1Å | ||
| 1024 | N | 26.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -22.1 | 80.4 | 151.8 | -110.9 | -3.7 | 0 | 0 | 0 | 110.3 | L1022 M1026 | L1022-N1024 PolarHBondContact O-N 2.86Å; N1024-M1026 PolarHBondContact O-N 3.42Å | ||
| 1025 | I | 30.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 59% | 0.585 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 19 | 176 | -63.7 | 167.9 | 0 | 0 | 0 | 108.4 | P1023 N1027 | P1023-I1025 VanDerWaalsContact C-N 3.28Å; P1023-I1025 VanDerWaalsContact O-CG1 3.28Å; P1023-I1025 WeakPolarHBondContact O-CG1 3.24Å; P1023-I1025 PolarHBondContact O-N 3.4Å; P1023-I1025 VanDerWaalsContact O-N 3.1Å; I1025-N1027 PolarHBondContact O-N 3.23Å | ||
| 1026 | M | 28.2 | Very low | 27.6 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 6.3 | 173.9 | -97.3 | -163.2 | -36.3 | 0 | 0 | 108.9 | N1024 | N1024-M1026 PolarHBondContact O-N 3.42Š|
| 1027 | N | 28.3 | Very low | 27.9 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 2.8 | 179.5 | -81.6 | -13.6 | 0 | 0 | 0 | 110 | I1025 | I1025-N1027 PolarHBondContact O-N 3.23Š|
| 1028 | E | 31.9 | Very low | 28 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -107.9 | 12.2 | -179.1 | -87.2 | -171 | 178 | 0 | 0 | 110.4 | ||
| 1029 | L | 33.5 | Very low | 28.2 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 60% | 0.597 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -127.6 | 64.4 | 175 | -76.8 | 161.2 | 0 | 0 | 0 | 107.7 | L1031 | L1029-L1031 HydrophobicContact CB-CD1 4.3Å; L1029-L1031 HydrophobicContact CB-CG 4.26Å; L1029-L1031 PolarHBondContact O-N 2.85Å |
| 1030 | G | 28.3 | Very low | 28.3 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 7.2 | 50.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1031 | L | 31.8 | Very low | 28.7 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | -98.1 | 88.5 | 178.1 | -73.9 | 169.3 | 0 | 0 | 0 | 103 | L1029 K1033 | L1029-L1031 HydrophobicContact CB-CD1 4.3Å; L1029-L1031 HydrophobicContact CB-CG 4.26Å; L1029-L1031 PolarHBondContact O-N 2.85Å; L1031-K1033 PolarHBondContact O-N 3.21Å; L1031-K1033 VanDerWaalsContact O-N 3.13Å | ||
| 1032 | D | 30.6 | Very low | 28.7 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -34.3 | 96.9 | 155.2 | -89.7 | -11.9 | 0 | 0 | 0 | 110.4 | L1034 | D1032-L1034 PolarHBondContact O-N 3.42Š| ||
| 1033 | K | 26.3 | Very low | 28.8 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -13.5 | 82.1 | 147.3 | -95.8 | -176.9 | -175.3 | -173.2 | 0 | 110.8 | L1031 | L1031-K1033 PolarHBondContact O-N 3.21Å; L1031-K1033 VanDerWaalsContact O-N 3.13Å | ||
| 1034 | L | 28.8 | Very low | 29 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -135.5 | 97.6 | 156.1 | -88.3 | 157.1 | 0 | 0 | 0 | 110.6 | D1032 | D1032-L1034 PolarHBondContact O-N 3.42Š| ||
| 1035 | Q | 27.9 | Very low | 28.9 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | 67.5 | 78.6 | 126 | -88 | -167.4 | -2.8 | 0 | 0 | 111.5 | T1037 | Q1035-T1037 PolarHBondContact O-N 2.99Š| |||
| 1036 | M | 25.9 | Very low | 28.7 | Very low | 200 Ų | 200 | 154.5 Ų | 154.5 | 99% | 0.985 | 80% | 0.804 | S | S | * | * | trans | -61.1 | 77.7 | 153.4 | -125.7 | 174.9 | 131.6 | 0 | 0 | 108.4 | ||||
| 1037 | T | 30.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | trans | -83.8 | 98.9 | 159.5 | -3.6 | 0 | 0 | 0 | 0 | 109 | Q1035 | Q1035-T1037 PolarHBondContact O-N 2.99Š| ||
| 1038 | Q | 27.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | 28.1 | 96.6 | 122.8 | -86.9 | -176.7 | 5.9 | 0 | 0 | 111.4 | |||||
| 1039 | H | 30 | Very low | 28.5 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -115.7 | 84.8 | 144.7 | -90.3 | -76.2 | 0 | 0 | 0 | 108.9 | ||||
| 1040 | A | 26.9 | Very low | 28.3 | Very low | 84 Ų | 84 | 159.6 Ų | 159.6 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | trans | -29.9 | 109.3 | 136.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1041 | E | 31.3 | Very low | 28.2 | Very low | 196 Ų | 196 | 159.8 Ų | 159.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -117.4 | 97.7 | 135.7 | -104.3 | -179 | -178.4 | 0 | 0 | 110.4 | ||||
| 1042 | I | 26.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 159 Ų | 159 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | 23 | 99.4 | 114.7 | -58.3 | 171.7 | 0 | 0 | 0 | 109.8 | |||||
| 1043 | C | 27.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 159 Ų | 159 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | -165.3 | 97.5 | 128.3 | -104.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1044 | N | 30.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | 77.3 | 106.9 | 109.7 | -97.2 | -12 | 0 | 0 | 0 | 112.2 | |||||
| 1045 | R | 25.4 | Very low | 27.6 | Very low | 231 Ų | 231 | 150.7 Ų | 150.7 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | -11.5 | 111.7 | 125 | -119.5 | -174 | -168 | 141.3 | -0.6 | 113.1 | |||||
| 1046 | D | 26.5 | Very low | 27.7 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | 151.6 | 111.9 | 124 | -83.1 | -20.3 | 0 | 0 | 0 | 110.5 | |||||
| 1047 | T | 30.9 | Very low | 27.6 | Very low | 134 Ų | 134 | 145 Ų | 145 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 160.1 | 94.7 | 116.3 | 35.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1048 | K | 25.6 | Very low | 27.8 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | -16.1 | 103.4 | 121.6 | -89.8 | -173.2 | -175.2 | -177 | 0 | 110.3 | |||||
| 1049 | Y | 27.3 | Very low | 27.9 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -169.2 | 99.2 | 143.8 | -87.5 | -77.6 | 0 | 0 | 0 | 109.9 | ||||
| 1050 | L | 28.8 | Very low | 27.9 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | 97.8 | 104.5 | 111.3 | -78.4 | 166.3 | 0 | 0 | 0 | 112.7 | |||||
| 1051 | S | 25.1 | Very low | 28 | Very low | 89 Ų | 89 | 145.9 Ų | 145.9 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | 60.8 | 117.4 | 105.6 | -27.3 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1052 | T | 24.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 106.8 | 112.8 | 108.2 | 28 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1053 | L | 27.9 | Very low | 27.7 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 153.1 | 100.5 | 118.8 | -85.8 | 155 | 0 | 0 | 0 | 110.7 | |||||
| 1054 | S | 26.9 | Very low | 27.7 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | 50.7 | 115.8 | 100.7 | 135.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1055 | G | 27.4 | Very low | 27.4 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | 127.8 | 111.7 | 114 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1056 | C | 28.6 | Very low | 27.4 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | 118.3 | 107 | 109.7 | -83 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1057 | S | 25.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | 11.2 | 124.8 | 118.9 | 101.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 1058 | S | 32.6 | Very low | 27 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 170.2 | 112.9 | 126.9 | 89.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1059 | E | 29.4 | Very low | 26.9 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 41.5 | 122.6 | 114.3 | -92.3 | -177.2 | 177.2 | 0 | 0 | 113.5 | |||||
| 1060 | K | 31.5 | Very low | 27 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | 134.1 | 118.2 | 115.6 | -97.3 | -174.3 | -179.2 | 178.3 | 0 | 111.1 | |||||
| 1061 | D | 27.4 | Very low | 26.8 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 75.3 | 117.9 | 114.3 | -86.5 | -18.8 | 0 | 0 | 0 | 110.9 | |||||
| 1062 | T | 27.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | 98.8 | 109.9 | 113.2 | 26.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1063 | S | 24.4 | Very low | 26.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 87.8 | 96.7 | 117.9 | 82.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1064 | I | 28.4 | Very low | 26.7 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -160.2 | 91.1 | 144.5 | -65.9 | 168.5 | 0 | 0 | 0 | 107.8 | ||||
| 1065 | Q | 23.3 | Very low | 26.8 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -10.8 | 121 | 140.3 | -100.6 | -161.3 | -6 | 0 | 0 | 110.8 | ||||
| 1066 | P | 25.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -119.5 | 106.1 | 134.4 | 19.1 | 4.7 | 0 | 0 | 0 | 109.2 | L1068 | P1066-L1068 VanDerWaalsContact C-N 3.32Å; P1066-L1068 PolarHBondContact O-N 3.28Å | ||
| 1067 | T | 23.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -21.1 | 90.4 | 136.9 | -35.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1068 | L | 26.8 | Very low | 26.7 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -119.5 | 86.2 | 157.7 | -90.7 | 153.9 | 0 | 0 | 0 | 108.9 | P1066 V1070 | P1066-L1068 VanDerWaalsContact C-N 3.32Å; P1066-L1068 PolarHBondContact O-N 3.28Å; L1068-V1070 HydrophobicContact CD2-CG2 4.34Å | ||
| 1069 | T | 23 | Very low | 26.3 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -37.6 | 99.3 | 138.3 | 38.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1070 | V | 30 | Very low | 26.2 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | trans | -131.4 | 87.3 | 159.9 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | L1068 | L1068-V1070 HydrophobicContact CD2-CG2 4.34Š| ||
| 1071 | S | 23.8 | Very low | 26.1 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | -6.4 | 118.9 | 124.5 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1072 | E | 26.2 | Very low | 26 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | 129 | 102.3 | 121.9 | -92.1 | -180 | 178.8 | 0 | 0 | 113.6 | |||||
| 1073 | Y | 24.4 | Very low | 26 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | 98 | 118.4 | 117.3 | -92.6 | -84.8 | 0 | 0 | 0 | 111.1 | |||||
| 1074 | S | 25.1 | Very low | 26.2 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | 133.4 | 101 | 93.9 | 41 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1075 | H | 29.6 | Very low | 26.1 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | -173 | 83.4 | 108.3 | -72.7 | -64.6 | 0 | 0 | 0 | 110.2 | |||||
| 1076 | I | 26 | Very low | 26.3 | Very low | 121 Ų | 121 | 133 Ų | 133 | 62% | 0.621 | 71% | 0.705 | S | S | * | * | -9.7 | 87 | 122 | -60.9 | 172.2 | 0 | 0 | 0 | 111.4 | D1078 | I1076-D1078 HydrophobicContact CG2-CB 3.65Å; I1076-D1078 VanDerWaalsContact CG2-CG 3.45Å; I1076-D1078 WeakPolarHBondContact CG2-OD2 3.28Å | |||
| 1077 | F | 25.3 | Very low | 26.4 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | trans | -108.2 | 71.5 | 135 | -89.1 | -82.6 | 0 | 0 | 0 | 108.4 | ||||
| 1078 | D | 26.5 | Very low | 26.7 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | trans | -24.3 | 86.8 | 133.9 | -79.2 | -19 | 0 | 0 | 0 | 110.8 | I1076 E1080 | I1076-D1078 HydrophobicContact CG2-CB 3.65Å; I1076-D1078 VanDerWaalsContact CG2-CG 3.45Å; I1076-D1078 WeakPolarHBondContact CG2-OD2 3.28Å; D1078-E1080 VanDerWaalsContact C-N 3.31Å | ||
| 1079 | Y | 25.5 | Very low | 27.1 | Very low | 214 Ų | 214 | 132.3 Ų | 132.3 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -97.6 | 70.6 | 148.6 | -101.8 | -85 | 0 | 0 | 0 | 107.9 | ||||
| 1080 | E | 27 | Very low | 28 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 51% | 0.505 | 67% | 0.67 | S | S | . | * | trans | -44.3 | 117.1 | 143.6 | -97.3 | -161.3 | 172.1 | 0 | 0 | 110.5 | D1078 N1082 | D1078-E1080 VanDerWaalsContact C-N 3.31Å; E1080-N1082 HydrophobicContact CB-CB 3.86Å; E1080-N1082 VanDerWaalsContact CD-OD1 3.3Å; E1080-N1082 HydrophobicContact CG-CB 4.45Å; E1080-N1082 PolarHBondContact O-N 2.96Å; E1080-N1082 PolarHBondContact OE1-ND2 3.43Å; E1080-N1082 WeakPolarHBondContact OE2-CB 3.49Å; E1080-N1082 PolarHBondContact OE2-ND2 2.9Å; E1080-N1082 PolarHBondContact OE2-OD1 3.28Å | ||
| 1081 | P | 27.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | trans | -67.7 | 63 | 156.2 | 20.9 | -1.3 | 0 | 0 | 0 | 105 | ||||
| 1082 | N | 27.2 | Very low | 28.7 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 51% | 0.508 | 64% | 0.64 | S | S | . | * | trans | -78.5 | 96.5 | 168.9 | -86.9 | -12.7 | 0 | 0 | 0 | 106.8 | E1080 | E1080-N1082 HydrophobicContact CB-CB 3.86Å; E1080-N1082 VanDerWaalsContact CD-OD1 3.3Å; E1080-N1082 HydrophobicContact CG-CB 4.45Å; E1080-N1082 PolarHBondContact O-N 2.96Å; E1080-N1082 PolarHBondContact OE1-ND2 3.43Å; E1080-N1082 WeakPolarHBondContact OE2-CB 3.49Å; E1080-N1082 PolarHBondContact OE2-ND2 2.9Å; E1080-N1082 PolarHBondContact OE2-OD1 3.28Å | ||
| 1083 | V | 26.2 | Very low | 29.1 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 74% | 0.739 | 62% | 0.624 | S | S | * | * | 74.2 | 76.3 | 125.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1084 | I | 28 | Very low | 29.8 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 68% | 0.682 | 60% | 0.596 | S | S | * | * | trans | -116.3 | 72 | 153.3 | -64.2 | 179 | 0 | 0 | 0 | 106.7 | S1086 | I1084-S1086 WeakPolarHBondContact CG2-OG 3.35Å; I1084-S1086 PolarHBondContact O-N 2.92Å | ||
| 1085 | N | 27.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 90% | 0.898 | 59% | 0.587 | S | S | * | * | -17.9 | 57 | 123.6 | -78.9 | -15.4 | 0 | 0 | 0 | 110.5 | |||||
| 1086 | S | 26.2 | Very low | 31 | Very low | 54 Ų | 54 | 109.1 Ų | 109.1 | 38% | 0.378 | 56% | 0.559 | S | S | . | * | trans | -134.3 | 118.6 | 161.9 | -6.7 | 0 | 0 | 0 | 0 | 108 | I1084 I1088 | I1084-S1086 WeakPolarHBondContact CG2-OG 3.35Å; I1084-S1086 PolarHBondContact O-N 2.92Å; S1086-I1088 VanDerWaalsContact C-N 3.29Å; S1086-I1088 PolarHBondContact O-N 3.19Å | ||
| 1087 | P | 28.7 | Very low | 31.5 | Very low | 124 Ų | 124 | 105.1 Ų | 105.1 | 81% | 0.805 | 54% | 0.539 | S | S | * | . | trans | -66 | 79.7 | -176 | 26.8 | -2.8 | 0 | 0 | 0 | 108.6 | L1089 | P1087-L1089 VanDerWaalsContact C-N 3.27Å; P1087-L1089 PolarHBondContact O-N 2.85Å | ||
| 1088 | I | 30.5 | Very low | 31.9 | Very low | 159 Ų | 159 | 100.3 Ų | 100.3 | 82% | 0.815 | 53% | 0.526 | S | S | * | . | trans | -70.8 | 87 | 164.5 | -65.5 | 172.1 | 0 | 0 | 0 | 106.2 | S1086 D1090 | S1086-I1088 VanDerWaalsContact C-N 3.29Å; S1086-I1088 PolarHBondContact O-N 3.19Å; I1088-D1090 PolarHBondContact O-N 3.13Å | ||
| 1089 | L | 33.4 | Very low | 32.6 | Very low | 71 Ų | 71 | 104.5 Ų | 104.5 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | trans | -27.8 | 99.4 | 159.7 | -96.8 | 142.5 | 0 | 0 | 0 | 111.2 | P585 Q588 P1087 L1091 L1094 | P585-L1089 HydrophobicContact CB-CD1 4.22Å; P585-L1089 HydrophobicContact CG-CD1 2.99Å; P585-L1089 HydrophobicContact CG-CG 4.34Å; Q588-L1089 HydrophobicContact CG-CD1 4.42Å; P1087-L1089 VanDerWaalsContact C-N 3.27Å; P1087-L1089 PolarHBondContact O-N 2.85Å; L1089-L1091 PolarHBondContact O-N 3.44Å; L1089-L1094 HydrophobicContact CB-CD1 4.35Å; L1089-L1094 HydrophobicContact CD2-CD1 4.02Å; L1089-L1094 HydrophobicContact CD2-CG 4.17Å | ||
| 1090 | D | 41.8 | Very low | 33.3 | Very low | 55 Ų | 55 | 101.4 Ų | 101.4 | 29% | 0.294 | 54% | 0.537 | S | S | . | . | trans | -40.5 | 92.6 | 158.5 | -145.4 | -8.1 | 0 | 0 | 0 | 111.2 | F643 I1088 E1092 R1093 L1094 | F643-D1090 WeakPolarHBondContact CE1-OD2 3.11Å; F643-D1090 VanDerWaalsContact CZ-OD2 3.26Å; F643-D1090 WeakPolarHBondContact CZ-OD2 3.33Å; I1088-D1090 PolarHBondContact O-N 3.13Å; D1090-E1092 PolarHBondContact O-N 2.91Å; D1090-R1093 HydrophobicContact CB-CB 3.8Å; D1090-R1093 HydrophobicContact CB-CG 4Å; D1090-R1093 WeakPolarHBondContact O-CA 3.48Å; D1090-R1093 WeakPolarHBondContact O-CB 3.18Å; D1090-R1093 PolarHBondContact O-N 2.78Å; D1090-L1094 PolarHBondContact O-N 3.01Å | ||
| 1091 | L | 33.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -41.2 | -19.2 | 168.7 | -107.3 | 134.6 | 0 | 0 | 0 | 111.4 | L1089 R1095 | L1089-L1091 PolarHBondContact O-N 3.44Å; L1091-R1095 WeakPolarHBondContact O-CB 3.45Å; L1091-R1095 VanDerWaalsContact O-CG 3.25Å; L1091-R1095 WeakPolarHBondContact O-CG 3.47Å; L1091-R1095 PolarHBondContact O-N 3.45Å |
| 1092 | E | 36.5 | Very low | 33.8 | Very low | 39 Ų | 39 | 98.6 Ų | 98.6 | 18% | 0.182 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -91.6 | -19.5 | 176.3 | -111 | -42.4 | 139.8 | 0 | 0 | 112.8 | T641 F643 D1090 S1096 | T641-E1092 WeakPolarHBondContact CA-OE2 3.24Å; T641-E1092 WeakPolarHBondContact CB-OE2 3.36Å; T641-E1092 HydrophobicContact CG2-CB 4.29Å; T641-E1092 HydrophobicContact CG2-CG 3.23Å; T641-E1092 WeakPolarHBondContact CG2-OE1 3.41Å; T641-E1092 WeakPolarHBondContact CG2-OE2 3.34Å; T641-E1092 PolarHBondContact OG1-OE2 3.28Å; F643-E1092 HydrophobicContact CD2-CB 4.01Å; F643-E1092 HydrophobicContact CD2-CG 4.49Å; F643-E1092 VanDerWaalsContact CD2-OE2 3.25Å; F643-E1092 WeakPolarHBondContact CD2-OE2 3.13Å; F643-E1092 HydrophobicContact CE2-CB 3.42Å; F643-E1092 VanDerWaalsContact CE2-CB 3.42Å; F643-E1092 HydrophobicContact CE2-CG 4.16Å; F643-E1092 HydrophobicContact CZ-CB 4.49Å; D1090-E1092 PolarHBondContact O-N 2.91Å; E1092-S1096 PolarHBondContact O-N 3.1Å; E1092-S1096 PolarHBondContact O-OG 3.19Å |
| 1093 | R | 35.1 | Very low | 34.1 | Very low | 112 Ų | 112 | 98.7 Ų | 98.7 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -88.1 | -19 | 171.7 | -92.6 | 179.4 | 164.2 | -178.6 | 3.3 | 111.5 | F643 D1090 S1096 L1097 | F643-R1093 HydrophobicContact CE1-CG 3.58Å; F643-R1093 HydrophobicContact CE2-CG 3.93Å; F643-R1093 HydrophobicContact CZ-CB 4.02Å; F643-R1093 HydrophobicContact CZ-CG 2.95Å; D1090-R1093 HydrophobicContact CB-CB 3.8Å; D1090-R1093 HydrophobicContact CB-CG 4Å; D1090-R1093 WeakPolarHBondContact O-CA 3.48Å; D1090-R1093 WeakPolarHBondContact O-CB 3.18Å; D1090-R1093 PolarHBondContact O-N 2.78Å; R1093-S1096 PolarHBondContact O-OG 2.97Å; R1093-L1097 WeakPolarHBondContact O-CD1 2.8Å; R1093-L1097 WeakPolarHBondContact O-CG 2.57Å |
| 1094 | L | 38.4 | Very low | 34.5 | Very low | 39 Ų | 39 | 97.4 Ų | 97.4 | 20% | 0.204 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -88.1 | -14.3 | 171.8 | -89.2 | 155 | 0 | 0 | 0 | 112.3 | Q588 L1089 D1090 L1097 | Q588-L1094 HydrophobicContact CG-CD2 4.21Å; Q588-L1094 VanDerWaalsContact NE2-CD1 3.33Å; L1089-L1094 HydrophobicContact CB-CD1 4.35Å; L1089-L1094 HydrophobicContact CD2-CD1 4.02Å; L1089-L1094 HydrophobicContact CD2-CG 4.17Å; D1090-L1094 PolarHBondContact O-N 3.01Å; L1094-L1097 HydrophobicContact CD2-CD1 4.2Å; L1094-L1097 HydrophobicContact CG-CD1 4.42Å |
| 1095 | R | 35.4 | Very low | 34.9 | Very low | 103 Ų | 103 | 95.4 Ų | 95.4 | 39% | 0.389 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -99.9 | -12.5 | -179.6 | -83.6 | -176.7 | 178 | 163.9 | 1.4 | 109.7 | L1091 P1098 | L1091-R1095 WeakPolarHBondContact O-CB 3.45Å; L1091-R1095 VanDerWaalsContact O-CG 3.25Å; L1091-R1095 WeakPolarHBondContact O-CG 3.47Å; L1091-R1095 PolarHBondContact O-N 3.45Å; R1095-P1098 WeakPolarHBondContact O-CD 2.57Å |
| 1096 | S | 44.9 | Very low | 35.4 | Very low | 34 Ų | 34 | 90.8 Ų | 90.8 | 24% | 0.238 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -97.5 | -3 | 172.2 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | E1092 R1093 P1098 K1099 L1100 | E1092-S1096 PolarHBondContact O-N 3.1Å; E1092-S1096 PolarHBondContact O-OG 3.19Å; R1093-S1096 PolarHBondContact O-OG 2.97Å; S1096-P1098 VanDerWaalsContact C-N 3.29Å; S1096-K1099 CarbonylContact O-C 3.49Å; S1096-K1099 WeakPolarHBondContact O-CA 3.36Å; S1096-K1099 PolarHBondContact O-N 3.48Å; S1096-L1100 WeakPolarHBondContact O-CB 2.93Å; S1096-L1100 PolarHBondContact O-N 3.27Å |
| 1097 | L | 35.2 | Very low | 36 | Very low | 38 Ų | 38 | 93.3 Ų | 93.3 | 20% | 0.199 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -72.8 | -22.4 | -176.5 | -111 | 136 | 0 | 0 | 0 | 111.2 | R1093 L1094 L1101 | R1093-L1097 WeakPolarHBondContact O-CD1 2.8Å; R1093-L1097 WeakPolarHBondContact O-CG 2.57Å; L1094-L1097 HydrophobicContact CD2-CD1 4.2Å; L1094-L1097 HydrophobicContact CG-CD1 4.42Å; L1097-L1101 HydrophobicContact CB-CD1 4.37Å; L1097-L1101 HydrophobicContact CD2-CD1 3.5Å; L1097-L1101 HydrophobicContact CD2-CG 4.13Å; L1097-L1101 WeakPolarHBondContact O-CB 3.47Å; L1097-L1101 WeakPolarHBondContact O-CD1 3.28Å; L1097-L1101 WeakPolarHBondContact O-CG 3.38Å; L1097-L1101 PolarHBondContact O-N 3.21Å |
| 1098 | P | 35.1 | Very low | 36.5 | Very low | 90 Ų | 90 | 91.1 Ų | 91.1 | 58% | 0.584 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -80.9 | -21.6 | 168.4 | -11.7 | 19.4 | 0 | 0 | 0 | 111.8 | R1095 S1096 L1101 | R1095-P1098 WeakPolarHBondContact O-CD 2.57Å; S1096-P1098 VanDerWaalsContact C-N 3.29Å; P1098-L1101 VanDerWaalsContact C-OXT 3.26Å |
| 1099 | K | 41.1 | Very low | 37 | Very low | 196 Ų | 196 | 85.8 Ų | 85.8 | 85% | 0.852 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -96.5 | -16.9 | -177.5 | -84.3 | -179.2 | -175.5 | 179.3 | 0 | 112.4 | S1096 | S1096-K1099 CarbonylContact O-C 3.49Å; S1096-K1099 WeakPolarHBondContact O-CA 3.36Å; S1096-K1099 PolarHBondContact O-N 3.48Å |
| 1100 | L | 39.5 | Very low | 37.3 | Very low | 150 Ų | 150 | 87.1 Ų | 87.1 | 79% | 0.785 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -103.7 | -31.8 | 174.9 | -103.6 | 138.3 | 0 | 0 | 0 | 109.2 | S1096 | S1096-L1100 WeakPolarHBondContact O-CB 2.93Å; S1096-L1100 PolarHBondContact O-N 3.27Å |
| 1101 | L | 31.1 | Very low | 36.9 | Very low | 78 Ų | 78 | 90 Ų | 90 | 41% | 0.408 | 44% | 0.441 | S | S | . | . | trans | -75.9 | 0 | 155.9 | -70.4 | 159.5 | 0 | 0 | 0 | 110.3 | F577 L746 L1097 P1098 | F577-L1101 HydrophobicContact CD1-CD2 3.65Å; F577-L1101 HydrophobicContact CE1-CD2 3.38Å; F577-L1101 HydrophobicContact CZ-CD2 4.35Å; L746-L1101 HydrophobicContact CD1-CD2 4.2Å; L1097-L1101 HydrophobicContact CB-CD1 4.37Å; L1097-L1101 HydrophobicContact CD2-CD1 3.5Å; L1097-L1101 HydrophobicContact CD2-CG 4.13Å; L1097-L1101 WeakPolarHBondContact O-CB 3.47Å; L1097-L1101 WeakPolarHBondContact O-CD1 3.28Å; L1097-L1101 WeakPolarHBondContact O-CG 3.38Å; L1097-L1101 PolarHBondContact O-N 3.21Å; P1098-L1101 VanDerWaalsContact C-OXT 3.26Å |
Retrieved 1,101 of 1,101 residues in 1665.3 ms
(Link to these results)