| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 45.1 | Very low | 240 Ų | 240 | 138.1 Ų | 138.1 | 100% | 1.182 | 80% | 0.796 | S | S | * | * | 0 | 90.5 | 0 | -72.7 | -154.8 | -76.5 | 0 | 0 | 108.9 | |||||
| 2 | A | 35.8 | Very low | 46.4 | Very low | 52 Ų | 52 | 133.4 Ų | 133.4 | 43% | 0.43 | 78% | 0.776 | S | S | . | * | trans | -172.7 | 26.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N4 | A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.24Å | ||
| 3 | E | 43 | Very low | 48.5 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -3.2 | -173.1 | -76.8 | -179.3 | 166.6 | 0 | 0 | 114.8 | ||
| 4 | N | 48.9 | Very low | 50.7 | Low | 162 Ų | 162 | 133.2 Ų | 133.2 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 19.5 | -175.2 | -76.6 | -33.3 | 0 | 0 | 0 | 116.3 | A2 | A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.24Å |
| 5 | L | 46.1 | Very low | 52.8 | Low | 137 Ų | 137 | 128.3 Ų | 128.3 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | -100.4 | 92.3 | 168.9 | -75 | 169.1 | 0 | 0 | 0 | 110.2 | G7 | L5-G7 PolarHBondContact O-N 3.2Å; L5-G7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | K | 45.1 | Very low | 54.8 | Low | 219 Ų | 219 | 129.6 Ų | 129.6 | 95% | 0.952 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 107.2 | 161.8 | -80.3 | -178.3 | 174.6 | 179 | 0 | 108.2 | ||
| 7 | G | 49.8 | Very low | 56.5 | Low | 83 Ų | 83 | 125.5 Ų | 125.5 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.8 | -7.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | L5 | L5-G7 PolarHBondContact O-N 3.2Å; L5-G7 VanDerWaalsContact O-N 3.11Å |
| 8 | C | 42.6 | Very low | 58 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | trans | -165.9 | 118.7 | 170.5 | -160.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 9 | S | 48.3 | Very low | 59.6 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | trans | -132.8 | 114 | 169.7 | 74.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | V | 45.3 | Very low | 61 | Low | 141 Ų | 141 | 115.8 Ų | 115.8 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -116.7 | 102.9 | 160.6 | -168 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 11 | C | 53.7 | Low | 62.2 | Low | 92 Ų | 92 | 111.4 Ų | 111.4 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | trans | -134.6 | 97.6 | -175.1 | -109.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 12 | C | 61.1 | Low | 64.6 | Low | 82 Ų | 82 | 104.8 Ų | 104.8 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | trans | 59.5 | 121.9 | 169.4 | -152.7 | 0 | 0 | 0 | 0 | 116.6 | S14 | C12-S14 PolarHBondContact O-N 3.04Å; C12-S14 WeakPolarHBondContact SG-CB 3.48Å; C12-S14 PolarHBondContact SG-N 3.07Å | ||
| 13 | K | 72.9 | Confident | 67.1 | Low | 221 Ų | 221 | 103 Ų | 103 | 96% | 0.961 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -66.8 | -11.3 | 167.4 | -73.2 | -171.4 | 176.2 | -177.6 | 0 | 112.7 | ||
| 14 | S | 79.5 | Confident | 69.3 | Low | 43 Ų | 43 | 95.4 Ų | 95.4 | 30% | 0.301 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -90.5 | 128.3 | -177 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | C12 Q18 | C12-S14 PolarHBondContact O-N 3.04Å; C12-S14 WeakPolarHBondContact SG-CB 3.48Å; C12-S14 PolarHBondContact SG-N 3.07Å; S14-Q18 VanDerWaalsContact CA-OE1 3.26Å |
| 15 | S | 82.8 | Confident | 71.1 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | trans | -60 | 159.6 | 167.1 | 65 | 0 | 0 | 0 | 0 | 111.6 | N17 Q18 L19 | S15-N17 PolarHBondContact O-N 3.3Å; S15-Q18 WeakPolarHBondContact O-CB 3.46Å; S15-Q18 PolarHBondContact O-N 3.08Å; S15-Q18 WeakPolarHBondContact OG-CG 3.44Å; S15-Q18 PolarHBondContact OG-N 2.83Å; S15-Q18 PolarHBondContact OG-OE1 2.82Å; S15-L19 PolarHBondContact O-N 2.96Å; S15-L19 VanDerWaalsContact O-N 3.12Å | ||
| 16 | W | 84.4 | Confident | 73.2 | Confident | 150 Ų | 150 | 89.1 Ų | 89.1 | 57% | 0.568 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -51.5 | -40.8 | 176.7 | -168.2 | -85.2 | 0 | 0 | 0 | 112.9 | L19 Q20 A32 L33 | W16-L19 PolarHBondContact O-N 3.24Å; W16-Q20 WeakPolarHBondContact O-CG 3.49Å; W16-Q20 PolarHBondContact O-N 2.97Å; W16-A32 WeakPolarHBondContact CH2-O 3.43Å; W16-A32 WeakPolarHBondContact CZ2-O 3.15Å; W16-L33 HydrophobicContact CD2-CD2 3.91Å; W16-L33 HydrophobicContact CE3-CD2 4.16Å; W16-L33 HydrophobicContact CH2-CD2 4.15Å; W16-L33 HydrophobicContact CZ2-CD2 3.89Å; W16-L33 HydrophobicContact CZ3-CD2 4.27Å |
| 17 | N | 83.3 | Confident | 75.3 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 32% | 0.316 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 177.9 | -63.5 | -25.4 | 0 | 0 | 0 | 111.7 | S15 L19 Q20 D21 R65 | S15-N17 PolarHBondContact O-N 3.3Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.99Å; N17-Q20 WeakPolarHBondContact O-CB 3.34Å; N17-Q20 PolarHBondContact O-N 2.75Å; N17-Q20 VanDerWaalsContact O-N 3.17Å; N17-D21 PolarHBondContact O-N 2.87Å; N17-R65 PolarHBondContact ND2-NH1 3.39Å; N17-R65 VanDerWaalsContact ND2-NH1 3.15Å |
| 18 | Q | 84.7 | Confident | 77.3 | Confident | 97 Ų | 97 | 86.4 Ų | 86.4 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 177.1 | -75.6 | 167.1 | -47.1 | 0 | 0 | 111.7 | S14 S15 D21 L22 | S14-Q18 VanDerWaalsContact CA-OE1 3.26Å; S15-Q18 WeakPolarHBondContact O-CB 3.46Å; S15-Q18 PolarHBondContact O-N 3.08Å; S15-Q18 WeakPolarHBondContact OG-CG 3.44Å; S15-Q18 PolarHBondContact OG-N 2.83Å; S15-Q18 PolarHBondContact OG-OE1 2.82Å; Q18-D21 PolarHBondContact O-N 3Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.13Å |
| 19 | L | 87.5 | Confident | 79.6 | Confident | 52 Ų | 52 | 84.6 Ų | 84.6 | 27% | 0.272 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68 | -40 | 176 | -66.1 | 176.8 | 0 | 0 | 0 | 112.4 | S15 W16 N17 D21 L22 C23 L33 | S15-L19 PolarHBondContact O-N 2.96Å; S15-L19 VanDerWaalsContact O-N 3.12Å; W16-L19 PolarHBondContact O-N 3.24Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.99Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-C23 PolarHBondContact O-N 3.19Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-C23 PolarHBondContact O-SG 2.94Å; L19-L33 HydrophobicContact CB-CD1 3.72Å; L19-L33 HydrophobicContact CB-CD2 4.03Å; L19-L33 HydrophobicContact CD1-CD2 4.33Å |
| 20 | Q | 88.6 | Confident | 81.6 | Confident | 33 Ų | 33 | 81.5 Ų | 81.5 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 173.6 | -75.9 | 178.8 | -25.2 | 0 | 0 | 111.3 | W16 N17 C23 R24 L33 I35 | W16-Q20 WeakPolarHBondContact O-CG 3.49Å; W16-Q20 PolarHBondContact O-N 2.97Å; N17-Q20 WeakPolarHBondContact O-CB 3.34Å; N17-Q20 PolarHBondContact O-N 2.75Å; N17-Q20 VanDerWaalsContact O-N 3.17Å; Q20-C23 WeakPolarHBondContact O-CB 3.39Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-C23 VanDerWaalsContact O-N 3.14Å; Q20-R24 WeakPolarHBondContact O-CG 3.32Å; Q20-R24 PolarHBondContact O-N 3.47Å; Q20-L33 HydrophobicContact CG-CB 3.96Å; Q20-L33 PolarHBondContact NE2-O 2.9Å; Q20-I35 HydrophobicContact CB-CD1 3.95Å; Q20-I35 HydrophobicContact CB-CG1 4.16Å; Q20-I35 HydrophobicContact CG-CD1 3.94Å; Q20-I35 HydrophobicContact CG-CG1 4.03Å |
| 21 | D | 85.3 | Confident | 83.7 | Confident | 24 Ų | 24 | 80.2 Ų | 80.2 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 179.4 | -67.7 | -22.2 | 0 | 0 | 0 | 112 | N17 Q18 L19 C23 R24 L25 Y67 | N17-D21 PolarHBondContact O-N 2.87Å; Q18-D21 PolarHBondContact O-N 3Å; L19-D21 VanDerWaalsContact C-N 3.33Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.38Å; D21-R24 PolarHBondContact O-N 3.07Å; D21-R24 IonicContact OD1-CZ 2.78Å; D21-R24 IonicContact OD1-NH1 3.93Å; D21-R24 PolarHBondContact OD1-NH1 3.28Å; D21-L25 WeakPolarHBondContact O-CG 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; D21-Y67 WeakPolarHBondContact CB-OH 3.33Å |
| 22 | L | 87.2 | Confident | 85.4 | Confident | 101 Ų | 101 | 79.7 Ų | 79.7 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 171.6 | -72.6 | 172.6 | 0 | 0 | 0 | 112 | Q18 L19 L25 A26 | Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.13Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.05Å; L22-L25 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.96Å |
| 23 | C | 89 | Confident | 86.7 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 11% | 0.108 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | L19 Q20 D21 A26 K27 L28 I35 | L19-C23 PolarHBondContact O-N 3.19Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-C23 PolarHBondContact O-SG 2.94Å; Q20-C23 WeakPolarHBondContact O-CB 3.39Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-C23 VanDerWaalsContact O-N 3.14Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.38Å; C23-A26 CarbonylContact O-C 3.54Å; C23-A26 PolarHBondContact O-N 3.29Å; C23-K27 CarbonylContact O-C 3.55Å; C23-K27 WeakPolarHBondContact O-CA 3.44Å; C23-K27 PolarHBondContact O-N 3Å; C23-L28 PolarHBondContact O-N 3.39Å; C23-I35 HydrophobicContact CB-CB 4.36Å; C23-I35 HydrophobicContact CB-CG1 4.19Å; C23-I35 HydrophobicContact CB-CG2 4.17Å |
| 24 | R | 88.7 | Confident | 87.5 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 12% | 0.121 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 177 | -65.4 | 178.8 | -177.2 | 102.9 | 3.3 | 111.7 | Q20 D21 A26 K27 I35 L40 D42 F43 | Q20-R24 WeakPolarHBondContact O-CG 3.32Å; Q20-R24 PolarHBondContact O-N 3.47Å; D21-R24 PolarHBondContact O-N 3.07Å; D21-R24 IonicContact OD1-CZ 2.78Å; D21-R24 IonicContact OD1-NH1 3.93Å; D21-R24 PolarHBondContact OD1-NH1 3.28Å; R24-A26 VanDerWaalsContact C-N 3.35Å; R24-A26 PolarHBondContact O-N 2.98Å; R24-K27 PolarHBondContact O-N 3.22Å; R24-I35 HydrophobicContact CG-CD1 4.49Å; R24-L40 WeakPolarHBondContact CB-O 3.44Å; R24-L40 WeakPolarHBondContact CG-O 3.38Å; R24-D42 WeakPolarHBondContact CD-O 3.35Å; R24-D42 PolarHBondContact NE-O 3.12Å; R24-D42 PolarHBondContact NH2-O 3.34Å; R24-F43 HydrophobicContact CB-CE1 3.86Å; R24-F43 HydrophobicContact CB-CZ 3.81Å; R24-F43 HydrophobicContact CG-CE1 4.46Å |
| 25 | L | 86.8 | Confident | 87.9 | Confident | 107 Ų | 107 | 66.4 Ų | 66.4 | 56% | 0.56 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 178.2 | -70 | 173.7 | 0 | 0 | 0 | 111.9 | D21 L22 K27 Y67 | D21-L25 WeakPolarHBondContact O-CG 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; L22-L25 PolarHBondContact O-N 3.46Å; L25-K27 PolarHBondContact O-N 3.47Å; L25-Y67 HydrophobicContact CD1-CE1 4.42Å |
| 26 | A | 90.9 | Very high | 88.3 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 50% | 0.496 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L22 C23 R24 L28 | L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.96Å; C23-A26 CarbonylContact O-C 3.54Å; C23-A26 PolarHBondContact O-N 3.29Å; R24-A26 VanDerWaalsContact C-N 3.35Å; R24-A26 PolarHBondContact O-N 2.98Å; A26-L28 HydrophobicContact CB-CD1 3.76Å; A26-L28 HydrophobicContact CB-CG 3.77Å; A26-L28 PolarHBondContact O-N 3.14Å |
| 27 | K | 90.1 | Very high | 88.5 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.9 | -175.3 | -58.8 | 177.4 | -176 | 173.6 | 0 | 113.4 | C23 R24 L25 L40 | C23-K27 CarbonylContact O-C 3.55Å; C23-K27 WeakPolarHBondContact O-CA 3.44Å; C23-K27 PolarHBondContact O-N 3Å; R24-K27 PolarHBondContact O-N 3.22Å; L25-K27 PolarHBondContact O-N 3.47Å; K27-L40 HydrophobicContact CB-CD2 4.05Å |
| 28 | L | 91.1 | Very high | 88.8 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -96.8 | 134.5 | -179.7 | -62.2 | 176.1 | 0 | 0 | 0 | 111.1 | C23 A26 I35 L40 | C23-L28 PolarHBondContact O-N 3.39Å; A26-L28 HydrophobicContact CB-CD1 3.76Å; A26-L28 HydrophobicContact CB-CG 3.77Å; A26-L28 PolarHBondContact O-N 3.14Å; L28-I35 WeakPolarHBondContact O-CG2 3.22Å; L28-L40 WeakPolarHBondContact O-CD1 3.46Å | ||
| 29 | S | 90.2 | Very high | 89 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | trans | -81.1 | 127 | 166.9 | -166.9 | 0 | 0 | 0 | 0 | 108.7 | I35 S36 | S29-I35 CarbonylContact C-O 3.58Å; S29-I35 PolarHBondContact OG-O 2.92Å; S29-I35 VanDerWaalsContact OG-O 3.08Å; S29-S36 WeakPolarHBondContact OG-CA 3.37Å | ||
| 30 | C | 90.2 | Very high | 89 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 22% | 0.223 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -132.8 | 91.9 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | A32 L33 G34 I35 | C30-A32 PolarHBondContact O-N 2.93Å; C30-L33 HydrophobicContact CB-CB 4.17Å; C30-L33 HydrophobicContact CB-CD1 4.18Å; C30-L33 HydrophobicContact CB-CG 4.42Å; C30-L33 CarbonylContact O-C 3.38Å; C30-L33 PolarHBondContact O-N 3.48Å; C30-G34 PolarHBondContact O-N 3.01Å; C30-I35 CarbonylContact C-O 3.2Å; C30-I35 HydrophobicContact CB-CB 4.44Å; C30-I35 PolarHBondContact N-O 3.32Å; C30-I35 PolarHBondContact O-N 2.97Å |
| 31 | P | 89.2 | Confident | 88.9 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 74% | 0.74 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -55.9 | -34.5 | 179.5 | -27.1 | 35.5 | 0 | 0 | 0 | 113.3 | L33 G34 | P31-L33 PolarHBondContact O-N 3.12Å; P31-G34 PolarHBondContact O-N 3.26Å |
| 32 | A | 89.2 | Confident | 89.1 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 67% | 0.669 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -62.7 | -28.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W16 C30 | W16-A32 WeakPolarHBondContact CH2-O 3.43Å; W16-A32 WeakPolarHBondContact CZ2-O 3.15Å; C30-A32 PolarHBondContact O-N 2.93Å |
| 33 | L | 88.3 | Confident | 89.2 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -96.9 | 4.6 | 174.1 | -66.4 | 172.4 | 0 | 0 | 0 | 112.4 | W16 L19 Q20 C30 P31 I35 | W16-L33 HydrophobicContact CD2-CD2 3.91Å; W16-L33 HydrophobicContact CE3-CD2 4.16Å; W16-L33 HydrophobicContact CH2-CD2 4.15Å; W16-L33 HydrophobicContact CZ2-CD2 3.89Å; W16-L33 HydrophobicContact CZ3-CD2 4.27Å; L19-L33 HydrophobicContact CB-CD1 3.72Å; L19-L33 HydrophobicContact CB-CD2 4.03Å; L19-L33 HydrophobicContact CD1-CD2 4.33Å; Q20-L33 HydrophobicContact CG-CB 3.96Å; Q20-L33 PolarHBondContact NE2-O 2.9Å; C30-L33 HydrophobicContact CB-CB 4.17Å; C30-L33 HydrophobicContact CB-CD1 4.18Å; C30-L33 HydrophobicContact CB-CG 4.42Å; C30-L33 CarbonylContact O-C 3.38Å; C30-L33 PolarHBondContact O-N 3.48Å; P31-L33 PolarHBondContact O-N 3.12Å; L33-I35 HydrophobicContact CB-CG1 4.25Å; L33-I35 PolarHBondContact O-N 2.78Å |
| 34 | G | 90.2 | Very high | 89.3 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 15.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | C30 P31 N39 | C30-G34 PolarHBondContact O-N 3.01Å; P31-G34 PolarHBondContact O-N 3.26Å; G34-N39 PolarHBondContact O-ND2 2.77Å |
| 35 | I | 88.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 123.2 | 177.3 | -56 | -55.1 | 0 | 0 | 0 | 110 | Q20 C23 R24 L28 S29 C30 L33 L40 | Q20-I35 HydrophobicContact CB-CD1 3.95Å; Q20-I35 HydrophobicContact CB-CG1 4.16Å; Q20-I35 HydrophobicContact CG-CD1 3.94Å; Q20-I35 HydrophobicContact CG-CG1 4.03Å; C23-I35 HydrophobicContact CB-CB 4.36Å; C23-I35 HydrophobicContact CB-CG1 4.19Å; C23-I35 HydrophobicContact CB-CG2 4.17Å; R24-I35 HydrophobicContact CG-CD1 4.49Å; L28-I35 WeakPolarHBondContact O-CG2 3.22Å; S29-I35 CarbonylContact C-O 3.58Å; S29-I35 PolarHBondContact OG-O 2.92Å; S29-I35 VanDerWaalsContact OG-O 3.08Å; C30-I35 CarbonylContact C-O 3.2Å; C30-I35 HydrophobicContact CB-CB 4.44Å; C30-I35 PolarHBondContact N-O 3.32Å; C30-I35 PolarHBondContact O-N 2.97Å; L33-I35 HydrophobicContact CB-CG1 4.25Å; L33-I35 PolarHBondContact O-N 2.78Å; I35-L40 HydrophobicContact CG2-CD1 3.77Å |
| 36 | S | 91.1 | Very high | 90 | Very high | 41 Ų | 41 | 78.3 Ų | 78.3 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | trans | -129 | 167.2 | -179.8 | 73.3 | 0 | 0 | 0 | 0 | 109.9 | S29 R38 N39 L40 | S29-S36 WeakPolarHBondContact OG-CA 3.37Å; S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 2.9Å; S36-N39 PolarHBondContact N-OD1 3.5Å; S36-N39 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-OD1 2.98Å; S36-N39 PolarHBondContact OG-OD1 3.15Å; S36-N39 VanDerWaalsContact OG-OD1 3.07Å; S36-L40 WeakPolarHBondContact O-CB 3.24Å; S36-L40 PolarHBondContact O-N 2.77Å | ||
| 37 | K | 88.7 | Confident | 90.3 | Very high | 182 Ų | 182 | 76 Ų | 76 | 79% | 0.791 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.6 | 171.1 | -66.3 | -174.8 | 178.1 | -178.5 | 0 | 113.6 | ||
| 38 | R | 88.7 | Confident | 90.7 | Very high | 240 Ų | 240 | 69.3 Ų | 69.3 | 91% | 0.906 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -29.2 | -177.7 | -64.3 | -177.4 | 179.8 | 175.6 | 0.6 | 113.9 | S36 | S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 2.9Å |
| 39 | N | 89.3 | Confident | 90.9 | Very high | 42 Ų | 42 | 65 Ų | 65 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 12.9 | -177.2 | 66.4 | -7.4 | 0 | 0 | 0 | 112.5 | G34 S36 Y41 D42 | G34-N39 PolarHBondContact O-ND2 2.77Å; S36-N39 PolarHBondContact N-OD1 3.5Å; S36-N39 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-OD1 2.98Å; S36-N39 PolarHBondContact OG-OD1 3.15Å; S36-N39 VanDerWaalsContact OG-OD1 3.07Å; N39-Y41 PolarHBondContact O-N 3.05Å; N39-Y41 VanDerWaalsContact O-N 3.13Å; N39-D42 WeakPolarHBondContact CA-OD2 3.44Å; N39-D42 HydrophobicContact CB-CB 4.18Å; N39-D42 WeakPolarHBondContact CB-OD2 3.42Å; N39-D42 WeakPolarHBondContact O-CB 3.47Å; N39-D42 PolarHBondContact O-N 3.33Å |
| 40 | L | 87.3 | Confident | 91.3 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.6 | -179.2 | -167.4 | 65.9 | 0 | 0 | 0 | 112.8 | R24 K27 L28 I35 S36 | R24-L40 WeakPolarHBondContact CB-O 3.44Å; R24-L40 WeakPolarHBondContact CG-O 3.38Å; K27-L40 HydrophobicContact CB-CD2 4.05Å; L28-L40 WeakPolarHBondContact O-CD1 3.46Å; I35-L40 HydrophobicContact CG2-CD1 3.77Å; S36-L40 WeakPolarHBondContact O-CB 3.24Å; S36-L40 PolarHBondContact O-N 2.77Å |
| 41 | Y | 86 | Confident | 91.7 | Very high | 163 Ų | 163 | 62.4 Ų | 62.4 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 6.3 | 179.3 | -54.4 | -72.9 | 0 | 0 | 0 | 113.1 | N39 F43 | N39-Y41 PolarHBondContact O-N 3.05Å; N39-Y41 VanDerWaalsContact O-N 3.13Å; Y41-F43 WeakPolarHBondContact O-CD2 3.47Å; Y41-F43 PolarHBondContact O-N 3.17Å |
| 42 | D | 89.3 | Confident | 92 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | trans | -85.5 | 110.1 | 175.4 | -72.7 | -28.8 | 0 | 0 | 0 | 108.9 | R24 N39 K81 | R24-D42 WeakPolarHBondContact CD-O 3.35Å; R24-D42 PolarHBondContact NE-O 3.12Å; R24-D42 PolarHBondContact NH2-O 3.34Å; N39-D42 WeakPolarHBondContact CA-OD2 3.44Å; N39-D42 HydrophobicContact CB-CB 4.18Å; N39-D42 WeakPolarHBondContact CB-OD2 3.42Å; N39-D42 WeakPolarHBondContact O-CB 3.47Å; N39-D42 PolarHBondContact O-N 3.33Å; D42-K81 IonicContact OD1-NZ 3.24Å; D42-K81 PolarHBondContact OD1-NZ 3.27Å; D42-K81 IonicContact OD2-NZ 3.96Å | ||
| 43 | F | 89.7 | Confident | 92.4 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | trans | -107.1 | 151.7 | 174.2 | -64.9 | -93.1 | 0 | 0 | 0 | 111 | R24 Y41 W64 Y67 | R24-F43 HydrophobicContact CB-CE1 3.86Å; R24-F43 HydrophobicContact CB-CZ 3.81Å; R24-F43 HydrophobicContact CG-CE1 4.46Å; Y41-F43 WeakPolarHBondContact O-CD2 3.47Å; Y41-F43 PolarHBondContact O-N 3.17Å; F43-W64 HydrophobicContact CB-CD2 4.42Å; F43-W64 HydrophobicContact CB-CE3 3.58Å; F43-W64 HydrophobicContact CB-CH2 4.47Å; F43-W64 HydrophobicContact CB-CZ3 3.61Å; F43-Y67 HydrophobicContact CD1-CE2 4.33Å | ||
| 44 | E | 91.6 | Very high | 92.7 | Very high | 105 Ų | 105 | 61.2 Ų | 61.2 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | trans | -86.3 | 126.2 | -178.7 | -165 | -177 | 160.2 | 0 | 0 | 111.2 | R65 | E44-R65 HydrophobicContact CB-CB 4.07Å; E44-R65 HydrophobicContact CG-CB 4.4Å; E44-R65 WeakPolarHBondContact O-CB 3.47Å; E44-R65 PolarHBondContact O-N 3.47Å; E44-R65 VanDerWaalsContact OE1-CD 3.29Å; E44-R65 WeakPolarHBondContact OE1-CD 3.34Å; E44-R65 IonicContact OE1-CZ 3.06Å; E44-R65 IonicContact OE1-NE 3.67Å; E44-R65 PolarHBondContact OE1-NE 3.03Å; E44-R65 WeakPolarHBondContact OE2-CD 3.35Å; E44-R65 IonicContact OE2-NE 2.81Å; E44-R65 IonicContact OE2-NH1 3.39Å | ||
| 45 | V | 95.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.7 | 172.9 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | L48 V62 W64 L80 C82 I85 | V45-L48 HydrophobicContact CG1-CD2 3.98Å; V45-V62 HydrophobicContact CB-CG1 4.21Å; V45-V62 HydrophobicContact CG1-CG1 3.93Å; V45-V62 HydrophobicContact CG2-CG1 3.71Å; V45-W64 HydrophobicContact CG2-CZ3 4.16Å; V45-L80 HydrophobicContact CG2-CD2 4.19Å; V45-C82 HydrophobicContact CB-CB 4.49Å; V45-I85 HydrophobicContact CB-CD1 4.06Å; V45-I85 HydrophobicContact CG1-CD1 3.89Å; V45-I85 HydrophobicContact CG1-CG2 4.27Å; V45-I85 WeakPolarHBondContact O-CD1 3.19Å |
| 46 | E | 95.3 | Very high | 92.9 | Very high | 38 Ų | 38 | 76.3 Ų | 76.3 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -48.1 | 174.2 | -162 | 171.1 | 173.9 | 0 | 0 | 111.2 | K63 R65 R126 | E46-K63 WeakPolarHBondContact CA-O 3.24Å; E46-K63 HydrophobicContact CB-CB 4.42Å; E46-K63 HydrophobicContact CB-CG 3.97Å; E46-K63 VanDerWaalsContact CB-O 3.23Å; E46-K63 WeakPolarHBondContact CB-O 3.26Å; E46-K63 PolarHBondContact N-O 2.96Å; E46-K63 IonicContact OE2-NZ 2.77Å; E46-K63 PolarHBondContact OE2-NZ 2.85Å; E46-R65 HydrophobicContact CB-CB 4.09Å; E46-R65 WeakPolarHBondContact OE2-CA 3.49Å; E46-R126 VanDerWaalsContact CD-NH1 3.32Å; E46-R126 IonicContact OE1-CZ 3.99Å; E46-R126 IonicContact OE1-NH1 3.61Å; E46-R126 PolarHBondContact OE1-NH1 2.97Å; E46-R126 IonicContact OE1-NH2 3.9Å; E46-R126 PolarHBondContact OE1-NH2 3.17Å |
| 47 | Y | 96.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 77.6 Ų | 77.6 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 170.6 | 169.2 | 52.3 | -94.6 | 0 | 0 | 0 | 110.5 | C49 K63 V119 A122 K123 | Y47-C49 VanDerWaalsContact CE2-SG 3.52Å; Y47-K63 HydrophobicContact CD1-CB 4.31Å; Y47-K63 HydrophobicContact CD1-CG 4.26Å; Y47-K63 HydrophobicContact CD2-CB 3.82Å; Y47-K63 HydrophobicContact CD2-CG 4.47Å; Y47-K63 HydrophobicContact CE1-CB 4.12Å; Y47-K63 HydrophobicContact CE1-CG 3.73Å; Y47-K63 HydrophobicContact CE2-CB 3.59Å; Y47-K63 HydrophobicContact CE2-CG 3.96Å; Y47-K63 HydrophobicContact CG-CB 4.16Å; Y47-K63 PolarHBondContact O-N 3.43Å; Y47-V119 HydrophobicContact CE2-CG1 4.06Å; Y47-A122 HydrophobicContact CD1-CB 4.45Å; Y47-A122 HydrophobicContact CD2-CB 4.01Å; Y47-A122 HydrophobicContact CG-CB 3.77Å; Y47-K123 HydrophobicContact CE1-CG 4.21Å; Y47-K123 WeakPolarHBondContact OH-CE 3.22Å |
| 48 | L | 97.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.5 | 174.9 | -57.9 | 174.8 | 0 | 0 | 0 | 108.9 | V45 Y60 V62 L80 I85 L86 F89 | V45-L48 HydrophobicContact CG1-CD2 3.98Å; L48-Y60 HydrophobicContact CD1-CD1 3.78Å; L48-Y60 HydrophobicContact CD1-CE1 4.31Å; L48-Y60 HydrophobicContact CD1-CG 4.32Å; L48-V62 HydrophobicContact CD2-CG2 4Å; L48-L80 HydrophobicContact CD2-CD1 4.18Å; L48-I85 HydrophobicContact CD1-CG2 4.14Å; L48-I85 HydrophobicContact CG-CG2 3.87Å; L48-L86 HydrophobicContact CD1-CD2 3.65Å; L48-L86 HydrophobicContact CD1-CG 4.16Å; L48-F89 HydrophobicContact CB-CB 4.47Å; L48-F89 HydrophobicContact CB-CD2 3.54Å; L48-F89 HydrophobicContact CB-CE2 3.9Å; L48-F89 HydrophobicContact CB-CG 4.09Å; L48-F89 HydrophobicContact CD1-CB 4Å; L48-F89 HydrophobicContact CD1-CD2 4.43Å; L48-F89 HydrophobicContact CD1-CG 4.11Å |
| 49 | C | 97.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 10% | 0.095 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -37 | -174.4 | -58 | 0 | 0 | 0 | 0 | 112.7 | Y47 L61 V119 | Y47-C49 VanDerWaalsContact CE2-SG 3.52Å; C49-L61 HydrophobicContact CB-CB 4.13Å; C49-L61 HydrophobicContact CB-CD2 3.97Å; C49-L61 HydrophobicContact CB-CG 4.02Å; C49-L61 PolarHBondContact N-O 3.06Å; C49-V119 HydrophobicContact CB-CG2 3.76Å |
| 50 | D | 97.5 | Very high | 94.4 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 166.1 | -169.6 | -160.1 | -1.4 | 0 | 0 | 0 | 111.1 | Y60 L61 W74 L110 A115 | D50-Y60 VanDerWaalsContact O-CA 3.28Å; D50-Y60 WeakPolarHBondContact O-CA 3.16Å; D50-L61 HydrophobicContact CB-CB 3.66Å; D50-L61 HydrophobicContact CB-CD2 4.15Å; D50-L61 PolarHBondContact O-N 2.9Å; D50-W74 HydrophobicContact CB-CH2 3.66Å; D50-W74 HydrophobicContact CB-CZ2 4.09Å; D50-W74 HydrophobicContact CB-CZ3 4.41Å; D50-W74 WeakPolarHBondContact OD2-CH2 3.45Å; D50-L110 WeakPolarHBondContact OD1-CB 3.41Å; D50-L110 WeakPolarHBondContact OD1-CD1 3.32Å; D50-A115 HydrophobicContact CB-CB 4.47Å |
| 51 | Y | 98 | Very high | 94.9 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138.2 | -177.5 | 171.5 | -92.7 | 0 | 0 | 0 | 111.8 | K53 E58 Y60 F89 T106 P107 L110 | Y51-K53 HydrophobicContact CE1-CB 4.31Å; Y51-E58 HydrophobicContact CE2-CB 4Å; Y51-E58 HydrophobicContact CE2-CG 4.06Å; Y51-E58 VanDerWaalsContact CE2-OE1 3.24Å; Y51-E58 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E58 PolarHBondContact OH-OE1 2.92Å; Y51-Y60 AromaticContact CD2-CD1 3.97Å; Y51-Y60 HydrophobicContact CD2-CD1 3.97Å; Y51-Y60 AromaticContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE2 4.35Å; Y51-Y60 AromaticContact CD2-CZ 3.72Å; Y51-Y60 HydrophobicContact CE2-CE1 4.12Å; Y51-Y60 HydrophobicContact CE2-CE2 4.45Å; Y51-Y60 AromaticContact CE2-CZ 3.86Å; Y51-F89 HydrophobicContact CG-CE1 4.48Å; Y51-T106 HydrophobicContact CD1-CG2 4.02Å; Y51-T106 HydrophobicContact CE1-CG2 3.49Å; Y51-T106 VanDerWaalsContact CE1-CG2 3.49Å; Y51-P107 WeakPolarHBondContact CE1-O 3.48Å; Y51-L110 HydrophobicContact CD1-CD2 4.33Å; Y51-L110 PolarHBondContact O-N 2.92Å |
| 52 | K | 97 | Very high | 95.4 | Very high | 48 Ų | 48 | 54.7 Ų | 54.7 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.8 | 166.1 | 68.3 | -170.1 | 177.9 | -169.3 | 0 | 112.1 | I54 Y59 W74 R108 H109 | K52-I54 HydrophobicContact CD-CD1 4.39Å; K52-Y59 PolarHBondContact N-O 2.95Å; K52-Y59 PolarHBondContact O-N 2.76Å; K52-W74 HydrophobicContact CB-CH2 4.23Å; K52-W74 HydrophobicContact CB-CZ3 4.17Å; K52-W74 HydrophobicContact CD-CD2 4.24Å; K52-W74 HydrophobicContact CD-CE3 4Å; K52-W74 HydrophobicContact CD-CH2 3.87Å; K52-W74 HydrophobicContact CD-CZ2 4.13Å; K52-W74 HydrophobicContact CD-CZ3 3.82Å; K52-W74 HydrophobicContact CG-CE3 4Å; K52-W74 HydrophobicContact CG-CH2 3.95Å; K52-W74 HydrophobicContact CG-CZ3 3.57Å; K52-R108 CarbonylContact C-O 3.54Å; K52-R108 VanDerWaalsContact CA-O 3.23Å; K52-R108 WeakPolarHBondContact CA-O 3.41Å; K52-H109 WeakPolarHBondContact CB-ND1 3.47Å |
| 53 | K | 96.6 | Very high | 95.8 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.7 | 173.9 | -169.6 | 176.2 | 178.7 | -177.3 | 0 | 110.1 | Y51 R55 E56 Q57 E58 R108 | Y51-K53 HydrophobicContact CE1-CB 4.31Å; K53-R55 VanDerWaalsContact CE-O 3.22Å; K53-R55 WeakPolarHBondContact CE-O 3.28Å; K53-E56 WeakPolarHBondContact CE-OE2 3.5Å; K53-E56 IonicContact NZ-OE2 2.74Å; K53-E56 PolarHBondContact NZ-OE2 3.07Å; K53-Q57 WeakPolarHBondContact CA-O 3.37Å; K53-E58 HydrophobicContact CG-CG 4.38Å; K53-R108 PolarHBondContact N-O 3.28Å |
| 54 | I | 94.8 | Very high | 96.1 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.3 | 176.1 | -56.2 | 175.1 | 0 | 0 | 0 | 107.6 | K52 E56 Q57 Y59 | K52-I54 HydrophobicContact CD-CD1 4.39Å; I54-E56 PolarHBondContact O-N 2.66Å; I54-Q57 PolarHBondContact N-O 3.41Å; I54-Q57 PolarHBondContact O-N 2.83Å; I54-Y59 HydrophobicContact CB-CE2 4.22Å; I54-Y59 HydrophobicContact CD1-CD2 4.37Å; I54-Y59 HydrophobicContact CD1-CE2 4.22Å; I54-Y59 HydrophobicContact CG1-CD2 4.45Å; I54-Y59 HydrophobicContact CG1-CE2 4.41Å |
| 55 | R | 91.9 | Very high | 96.1 | Very high | 217 Ų | 217 | 50 Ų | 50 | 82% | 0.819 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -120.8 | -167.7 | -57.2 | 177.8 | 176.5 | 178.9 | -1.6 | 109.9 | K53 | K53-R55 VanDerWaalsContact CE-O 3.22Å; K53-R55 WeakPolarHBondContact CE-O 3.28Å |
| 56 | E | 91.6 | Very high | 95.8 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 70% | 0.696 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0.5 | 175.8 | -64.4 | -50.4 | 134 | 0 | 0 | 114 | K53 I54 | K53-E56 WeakPolarHBondContact CE-OE2 3.5Å; K53-E56 IonicContact NZ-OE2 2.74Å; K53-E56 PolarHBondContact NZ-OE2 3.07Å; I54-E56 PolarHBondContact O-N 2.66Å |
| 57 | Q | 94.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.7 | -178.1 | -168.7 | 64.4 | 42.7 | 0 | 0 | 111.5 | K53 I54 Y59 | K53-Q57 WeakPolarHBondContact CA-O 3.37Å; I54-Q57 PolarHBondContact N-O 3.41Å; I54-Q57 PolarHBondContact O-N 2.83Å; Q57-Y59 HydrophobicContact CB-CE2 3.84Å; Q57-Y59 HydrophobicContact CG-CD2 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.55Å |
| 58 | E | 96.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 55 Ų | 55 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 139.8 | 174 | -56.5 | -174.2 | 113.4 | 0 | 0 | 111.3 | Y51 K53 Y60 P76 R77 | Y51-E58 HydrophobicContact CE2-CB 4Å; Y51-E58 HydrophobicContact CE2-CG 4.06Å; Y51-E58 VanDerWaalsContact CE2-OE1 3.24Å; Y51-E58 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E58 PolarHBondContact OH-OE1 2.92Å; K53-E58 HydrophobicContact CG-CG 4.38Å; E58-Y60 HydrophobicContact CB-CE2 4.01Å; E58-Y60 PolarHBondContact OE2-OH 3.08Å; E58-P76 WeakPolarHBondContact O-CA 3.01Å; E58-R77 HydrophobicContact CB-CB 4.13Å; E58-R77 PolarHBondContact O-N 2.83Å |
| 59 | Y | 98.1 | Very high | 95.2 | Very high | 69 Ų | 69 | 59.2 Ų | 59.2 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.8 | 175.3 | -61.5 | -98 | 0 | 0 | 0 | 109.9 | K52 I54 Q57 E75 P76 | K52-Y59 PolarHBondContact N-O 2.95Å; K52-Y59 PolarHBondContact O-N 2.76Å; I54-Y59 HydrophobicContact CB-CE2 4.22Å; I54-Y59 HydrophobicContact CD1-CD2 4.37Å; I54-Y59 HydrophobicContact CD1-CE2 4.22Å; I54-Y59 HydrophobicContact CG1-CD2 4.45Å; I54-Y59 HydrophobicContact CG1-CE2 4.41Å; Q57-Y59 HydrophobicContact CB-CE2 3.84Å; Q57-Y59 HydrophobicContact CG-CD2 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.55Å; Y59-E75 CarbonylContact C-O 3.59Å; Y59-E75 VanDerWaalsContact CA-O 3.32Å; Y59-E75 WeakPolarHBondContact CA-O 3.34Å; Y59-P76 HydrophobicContact CD1-CB 4.14Å; Y59-P76 HydrophobicContact CE1-CB 3.99Å |
| 60 | Y | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.2 | 177.8 | -57.5 | -103.1 | 0 | 0 | 0 | 109.4 | L48 D50 Y51 E58 V62 W74 E75 R77 L80 L86 F89 H90 | L48-Y60 HydrophobicContact CD1-CD1 3.78Å; L48-Y60 HydrophobicContact CD1-CE1 4.31Å; L48-Y60 HydrophobicContact CD1-CG 4.32Å; D50-Y60 VanDerWaalsContact O-CA 3.28Å; D50-Y60 WeakPolarHBondContact O-CA 3.16Å; Y51-Y60 AromaticContact CD2-CD1 3.97Å; Y51-Y60 HydrophobicContact CD2-CD1 3.97Å; Y51-Y60 AromaticContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE2 4.35Å; Y51-Y60 AromaticContact CD2-CZ 3.72Å; Y51-Y60 HydrophobicContact CE2-CE1 4.12Å; Y51-Y60 HydrophobicContact CE2-CE2 4.45Å; Y51-Y60 AromaticContact CE2-CZ 3.86Å; E58-Y60 HydrophobicContact CB-CE2 4.01Å; E58-Y60 PolarHBondContact OE2-OH 3.08Å; Y60-V62 PolarHBondContact O-N 2.92Å; Y60-W74 CarbonylContact O-C 3.52Å; Y60-W74 WeakPolarHBondContact O-CA 3.19Å; Y60-E75 PolarHBondContact N-O 3.2Å; Y60-E75 PolarHBondContact O-N 3.01Å; Y60-R77 HydrophobicContact CE2-CB 4.02Å; Y60-R77 HydrophobicContact CE2-CG 4.49Å; Y60-L80 HydrophobicContact CD2-CD1 3.56Å; Y60-L80 HydrophobicContact CE2-CD1 4.37Å; Y60-L80 HydrophobicContact CG-CD1 3.82Å; Y60-L86 HydrophobicContact CD1-CD2 4.17Å; Y60-L86 HydrophobicContact CD2-CD2 4.32Å; Y60-L86 HydrophobicContact CE1-CD2 3.77Å; Y60-L86 HydrophobicContact CE2-CD2 3.99Å; Y60-L86 HydrophobicContact CG-CD2 4.43Å; Y60-F89 HydrophobicContact CD1-CD1 4.35Å; Y60-F89 HydrophobicContact CD1-CE1 4.18Å; Y60-F89 HydrophobicContact CE1-CD1 4.1Å; Y60-F89 HydrophobicContact CE1-CE1 4.1Å; Y60-H90 AromaticContact CE1-NE2 3.69Å; Y60-H90 AromaticContact CZ-NE2 3.69Å; Y60-H90 PolarHBondContact OH-NE2 2.96Å |
| 61 | L | 98.1 | Very high | 95 | Very high | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.2 | 170.2 | -176.9 | 62.6 | 0 | 0 | 0 | 108.1 | C49 D50 T73 W74 | C49-L61 HydrophobicContact CB-CB 4.13Å; C49-L61 HydrophobicContact CB-CD2 3.97Å; C49-L61 HydrophobicContact CB-CG 4.02Å; C49-L61 PolarHBondContact N-O 3.06Å; D50-L61 HydrophobicContact CB-CB 3.66Å; D50-L61 HydrophobicContact CB-CD2 4.15Å; D50-L61 PolarHBondContact O-N 2.9Å; L61-T73 WeakPolarHBondContact CA-O 3.47Å; L61-W74 HydrophobicContact CB-CD2 4.07Å; L61-W74 HydrophobicContact CB-CE3 4.16Å; L61-W74 HydrophobicContact CB-CH2 4.16Å; L61-W74 HydrophobicContact CB-CZ2 4.04Å; L61-W74 HydrophobicContact CB-CZ3 4.19Å; L61-W74 HydrophobicContact CD1-CD2 4.42Å; L61-W74 HydrophobicContact CD1-CG 4.3Å |
| 62 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.3 | -171.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | V45 L48 Y60 W64 S72 T73 E75 L80 | V45-V62 HydrophobicContact CB-CG1 4.21Å; V45-V62 HydrophobicContact CG1-CG1 3.93Å; V45-V62 HydrophobicContact CG2-CG1 3.71Å; L48-V62 HydrophobicContact CD2-CG2 4Å; Y60-V62 PolarHBondContact O-N 2.92Å; V62-W64 HydrophobicContact CB-CD2 4.44Å; V62-W64 HydrophobicContact CB-CH2 4.42Å; V62-W64 HydrophobicContact CB-CZ2 4.04Å; V62-W64 HydrophobicContact CG1-CD2 3.72Å; V62-W64 HydrophobicContact CG1-CE3 3.72Å; V62-W64 HydrophobicContact CG1-CG 4.42Å; V62-W64 HydrophobicContact CG1-CH2 3.93Å; V62-W64 HydrophobicContact CG1-CZ2 3.91Å; V62-W64 HydrophobicContact CG1-CZ3 3.82Å; V62-W64 HydrophobicContact CG2-CZ2 4.49Å; V62-W64 PolarHBondContact O-N 2.83Å; V62-S72 WeakPolarHBondContact O-CA 3.33Å; V62-S72 WeakPolarHBondContact O-CB 3.21Å; V62-T73 PolarHBondContact N-O 3.02Å; V62-T73 PolarHBondContact O-N 3.08Å; V62-E75 HydrophobicContact CB-CG 4.42Å; V62-E75 HydrophobicContact CG2-CB 3.83Å; V62-E75 HydrophobicContact CG2-CG 3.68Å; V62-L80 HydrophobicContact CG2-CD2 3.86Å |
| 63 | K | 97.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 113.4 | 161.7 | 177.7 | 62 | 177 | 60.8 | 0 | 109 | E46 Y47 Y67 D69 | E46-K63 WeakPolarHBondContact CA-O 3.24Å; E46-K63 HydrophobicContact CB-CB 4.42Å; E46-K63 HydrophobicContact CB-CG 3.97Å; E46-K63 VanDerWaalsContact CB-O 3.23Å; E46-K63 WeakPolarHBondContact CB-O 3.26Å; E46-K63 PolarHBondContact N-O 2.96Å; E46-K63 IonicContact OE2-NZ 2.77Å; E46-K63 PolarHBondContact OE2-NZ 2.85Å; Y47-K63 HydrophobicContact CD1-CB 4.31Å; Y47-K63 HydrophobicContact CD1-CG 4.26Å; Y47-K63 HydrophobicContact CD2-CB 3.82Å; Y47-K63 HydrophobicContact CD2-CG 4.47Å; Y47-K63 HydrophobicContact CE1-CB 4.12Å; Y47-K63 HydrophobicContact CE1-CG 3.73Å; Y47-K63 HydrophobicContact CE2-CB 3.59Å; Y47-K63 HydrophobicContact CE2-CG 3.96Å; Y47-K63 HydrophobicContact CG-CB 4.16Å; Y47-K63 PolarHBondContact O-N 3.43Å; K63-Y67 VanDerWaalsContact CE-O 3.22Å; K63-Y67 WeakPolarHBondContact CE-O 3.45Å; K63-Y67 PolarHBondContact NZ-O 3.49Å; K63-D69 WeakPolarHBondContact CD-OD1 3.4Å; K63-D69 WeakPolarHBondContact CE-OD1 3.44Å |
| 64 | W | 95 | Very high | 94.9 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.3 | 177.5 | -58 | 110.6 | 0 | 0 | 0 | 111.7 | F43 V45 V62 G66 Y67 E71 T73 E75 | F43-W64 HydrophobicContact CB-CD2 4.42Å; F43-W64 HydrophobicContact CB-CE3 3.58Å; F43-W64 HydrophobicContact CB-CH2 4.47Å; F43-W64 HydrophobicContact CB-CZ3 3.61Å; V45-W64 HydrophobicContact CG2-CZ3 4.16Å; V62-W64 HydrophobicContact CB-CD2 4.44Å; V62-W64 HydrophobicContact CB-CH2 4.42Å; V62-W64 HydrophobicContact CB-CZ2 4.04Å; V62-W64 HydrophobicContact CG1-CD2 3.72Å; V62-W64 HydrophobicContact CG1-CE3 3.72Å; V62-W64 HydrophobicContact CG1-CG 4.42Å; V62-W64 HydrophobicContact CG1-CH2 3.93Å; V62-W64 HydrophobicContact CG1-CZ2 3.91Å; V62-W64 HydrophobicContact CG1-CZ3 3.82Å; V62-W64 HydrophobicContact CG2-CZ2 4.49Å; V62-W64 PolarHBondContact O-N 2.83Å; W64-G66 PolarHBondContact O-N 3.48Å; W64-Y67 HydrophobicContact CB-CD2 3.63Å; W64-Y67 HydrophobicContact CB-CE2 4.47Å; W64-Y67 HydrophobicContact CB-CG 4.11Å; W64-Y67 PolarHBondContact O-N 2.91Å; W64-E71 VanDerWaalsContact CD1-O 3.26Å; W64-T73 WeakPolarHBondContact CZ2-OG1 3.4Å; W64-T73 PolarHBondContact NE1-OG1 3.41Å; W64-E75 HydrophobicContact CH2-CG 3.94Å; W64-E75 HydrophobicContact CZ2-CG 3.67Å |
| 65 | R | 92.5 | Very high | 95 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 127.4 | -178.3 | -169.8 | -179.8 | -144.8 | -104.9 | -0.2 | 110.8 | N17 E44 E46 Y67 | N17-R65 PolarHBondContact ND2-NH1 3.39Å; N17-R65 VanDerWaalsContact ND2-NH1 3.15Å; E44-R65 HydrophobicContact CB-CB 4.07Å; E44-R65 HydrophobicContact CG-CB 4.4Å; E44-R65 WeakPolarHBondContact O-CB 3.47Å; E44-R65 PolarHBondContact O-N 3.47Å; E44-R65 VanDerWaalsContact OE1-CD 3.29Å; E44-R65 WeakPolarHBondContact OE1-CD 3.34Å; E44-R65 IonicContact OE1-CZ 3.06Å; E44-R65 IonicContact OE1-NE 3.67Å; E44-R65 PolarHBondContact OE1-NE 3.03Å; E44-R65 WeakPolarHBondContact OE2-CD 3.35Å; E44-R65 IonicContact OE2-NE 2.81Å; E44-R65 IonicContact OE2-NH1 3.39Å; E46-R65 HydrophobicContact CB-CB 4.09Å; E46-R65 WeakPolarHBondContact OE2-CA 3.49Å; R65-Y67 VanDerWaalsContact C-N 3.3Å; R65-Y67 WeakPolarHBondContact O-CD2 3.36Å |
| 66 | G | 88.2 | Confident | 95.3 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 73% | 0.732 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -7.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | W64 | W64-G66 PolarHBondContact O-N 3.48Š|
| 67 | Y | 91.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 13% | 0.125 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -100.9 | 157.1 | 178.6 | -64.6 | -91 | 0 | 0 | 0 | 111.4 | D21 L25 F43 K63 W64 R65 E71 | D21-Y67 WeakPolarHBondContact CB-OH 3.33Å; L25-Y67 HydrophobicContact CD1-CE1 4.42Å; F43-Y67 HydrophobicContact CD1-CE2 4.33Å; K63-Y67 VanDerWaalsContact CE-O 3.22Å; K63-Y67 WeakPolarHBondContact CE-O 3.45Å; K63-Y67 PolarHBondContact NZ-O 3.49Å; W64-Y67 HydrophobicContact CB-CD2 3.63Å; W64-Y67 HydrophobicContact CB-CE2 4.47Å; W64-Y67 HydrophobicContact CB-CG 4.11Å; W64-Y67 PolarHBondContact O-N 2.91Å; R65-Y67 VanDerWaalsContact C-N 3.3Å; R65-Y67 WeakPolarHBondContact O-CD2 3.36Å; Y67-E71 VanDerWaalsContact CD1-OE2 3.26Å; Y67-E71 WeakPolarHBondContact CD1-OE2 3.23Å |
| 68 | P | 93.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | trans | -68.5 | 160.1 | 172.7 | 28.6 | -34.6 | 0 | 0 | 0 | 112.1 | S70 E71 | P68-S70 WeakPolarHBondContact CG-OG 3.48Å; P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.15Å; P68-E71 WeakPolarHBondContact CD-OE1 3.4Å; P68-E71 HydrophobicContact CG-CB 4.49Å; P68-E71 HydrophobicContact CG-CG 4.05Å; P68-E71 PolarHBondContact O-N 3.41Å; P68-E71 VanDerWaalsContact O-N 3.08Å | ||
| 69 | D | 92.4 | Very high | 95.4 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -57.6 | -28.6 | 178 | -74.7 | -5.4 | 0 | 0 | 0 | 112.1 | K63 E71 S72 K123 | K63-D69 WeakPolarHBondContact CD-OD1 3.4Å; K63-D69 WeakPolarHBondContact CE-OD1 3.44Å; D69-E71 PolarHBondContact O-N 3.13Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.48Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-S72 VanDerWaalsContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.25Å; D69-K123 IonicContact OD2-NZ 3.02Å |
| 70 | S | 95.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 76% | 0.755 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -63.9 | -19.6 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | P68 | P68-S70 WeakPolarHBondContact CG-OG 3.48Å; P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.15Å |
| 71 | E | 94.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -94.9 | 7.7 | 177.4 | -72.1 | -171.7 | -126 | 0 | 0 | 112.8 | W64 Y67 P68 D69 T73 | W64-E71 VanDerWaalsContact CD1-O 3.26Å; Y67-E71 VanDerWaalsContact CD1-OE2 3.26Å; Y67-E71 WeakPolarHBondContact CD1-OE2 3.23Å; P68-E71 WeakPolarHBondContact CD-OE1 3.4Å; P68-E71 HydrophobicContact CG-CB 4.49Å; P68-E71 HydrophobicContact CG-CG 4.05Å; P68-E71 PolarHBondContact O-N 3.41Å; P68-E71 VanDerWaalsContact O-N 3.08Å; D69-E71 PolarHBondContact O-N 3.13Å; E71-T73 PolarHBondContact O-N 3.18Å |
| 72 | S | 96.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 64.6 Ų | 64.6 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | trans | -64.3 | 131.3 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | V62 D69 | V62-S72 WeakPolarHBondContact O-CA 3.33Å; V62-S72 WeakPolarHBondContact O-CB 3.21Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.48Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-S72 VanDerWaalsContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.25Å | ||
| 73 | T | 96.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153.7 | -177.9 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | L61 V62 W64 E71 E75 | L61-T73 WeakPolarHBondContact CA-O 3.47Å; V62-T73 PolarHBondContact N-O 3.02Å; V62-T73 PolarHBondContact O-N 3.08Å; W64-T73 WeakPolarHBondContact CZ2-OG1 3.4Å; W64-T73 PolarHBondContact NE1-OG1 3.41Å; E71-T73 PolarHBondContact O-N 3.18Å; T73-E75 PolarHBondContact OG1-OE1 3.46Å |
| 74 | W | 97.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 77.6 Ų | 77.6 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.5 | 172.9 | -76.7 | 96.3 | 0 | 0 | 0 | 110.3 | D50 K52 Y60 L61 | D50-W74 HydrophobicContact CB-CH2 3.66Å; D50-W74 HydrophobicContact CB-CZ2 4.09Å; D50-W74 HydrophobicContact CB-CZ3 4.41Å; D50-W74 WeakPolarHBondContact OD2-CH2 3.45Å; K52-W74 HydrophobicContact CB-CH2 4.23Å; K52-W74 HydrophobicContact CB-CZ3 4.17Å; K52-W74 HydrophobicContact CD-CD2 4.24Å; K52-W74 HydrophobicContact CD-CE3 4Å; K52-W74 HydrophobicContact CD-CH2 3.87Å; K52-W74 HydrophobicContact CD-CZ2 4.13Å; K52-W74 HydrophobicContact CD-CZ3 3.82Å; K52-W74 HydrophobicContact CG-CE3 4Å; K52-W74 HydrophobicContact CG-CH2 3.95Å; K52-W74 HydrophobicContact CG-CZ3 3.57Å; Y60-W74 CarbonylContact O-C 3.52Å; Y60-W74 WeakPolarHBondContact O-CA 3.19Å; L61-W74 HydrophobicContact CB-CD2 4.07Å; L61-W74 HydrophobicContact CB-CE3 4.16Å; L61-W74 HydrophobicContact CB-CH2 4.16Å; L61-W74 HydrophobicContact CB-CZ2 4.04Å; L61-W74 HydrophobicContact CB-CZ3 4.19Å; L61-W74 HydrophobicContact CD1-CD2 4.42Å; L61-W74 HydrophobicContact CD1-CG 4.3Å |
| 75 | E | 97 | Very high | 94.7 | Very high | 39 Ų | 39 | 78.2 Ų | 78.2 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.6 | 179.2 | -64.4 | -55.7 | 137.9 | 0 | 0 | 111.4 | Y59 Y60 V62 W64 T73 N79 L80 | Y59-E75 CarbonylContact C-O 3.59Å; Y59-E75 VanDerWaalsContact CA-O 3.32Å; Y59-E75 WeakPolarHBondContact CA-O 3.34Å; Y60-E75 PolarHBondContact N-O 3.2Å; Y60-E75 PolarHBondContact O-N 3.01Å; V62-E75 HydrophobicContact CB-CG 4.42Å; V62-E75 HydrophobicContact CG2-CB 3.83Å; V62-E75 HydrophobicContact CG2-CG 3.68Å; W64-E75 HydrophobicContact CH2-CG 3.94Å; W64-E75 HydrophobicContact CZ2-CG 3.67Å; T73-E75 PolarHBondContact OG1-OE1 3.46Å; E75-N79 PolarHBondContact OE2-ND2 3.36Å; E75-L80 HydrophobicContact CB-CD2 4.03Å; E75-L80 HydrophobicContact CB-CG 4.36Å |
| 76 | P | 97.2 | Very high | 95 | Very high | 21 Ų | 21 | 73.8 Ų | 73.8 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 146.6 | 171.7 | 29.7 | -34.6 | 0 | 0 | 0 | 110.4 | E58 Y59 Q78 N79 | E58-P76 WeakPolarHBondContact O-CA 3.01Å; Y59-P76 HydrophobicContact CD1-CB 4.14Å; Y59-P76 HydrophobicContact CE1-CB 3.99Å; P76-Q78 HydrophobicContact CB-CG 4.19Å; P76-Q78 HydrophobicContact CG-CG 4.14Å; P76-Q78 PolarHBondContact O-N 2.98Å; P76-N79 WeakPolarHBondContact CD-ND2 3.29Å; P76-N79 HydrophobicContact CG-CB 4.36Å; P76-N79 WeakPolarHBondContact O-CB 3.48Å; P76-N79 PolarHBondContact O-N 3.34Å |
| 77 | R | 95.9 | Very high | 95.4 | Very high | 92 Ų | 92 | 77.6 Ų | 77.6 | 35% | 0.347 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -45.8 | -37 | 179.7 | 175.4 | 57 | -172.8 | 84.1 | 2 | 114.5 | E58 Y60 N79 L80 | E58-R77 HydrophobicContact CB-CB 4.13Å; E58-R77 PolarHBondContact O-N 2.83Å; Y60-R77 HydrophobicContact CE2-CB 4.02Å; Y60-R77 HydrophobicContact CE2-CG 4.49Å; R77-N79 PolarHBondContact O-N 3.09Å; R77-L80 PolarHBondContact NH1-O 3.11Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-L80 VanDerWaalsContact O-N 3.15Å |
| 78 | Q | 94.7 | Very high | 95.6 | Very high | 146 Ų | 146 | 77.8 Ų | 77.8 | 68% | 0.682 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -64.3 | -25.3 | -178.9 | 69.8 | -171.4 | 13.5 | 0 | 0 | 113.7 | P76 L80 | P76-Q78 HydrophobicContact CB-CG 4.19Å; P76-Q78 HydrophobicContact CG-CG 4.14Å; P76-Q78 PolarHBondContact O-N 2.98Å; Q78-L80 VanDerWaalsContact C-N 3.35Å |
| 79 | N | 94.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 75.2 Ų | 75.2 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -79.6 | -20.9 | 176.9 | -68.1 | 4.9 | 0 | 0 | 0 | 111.9 | E75 P76 R77 K81 | E75-N79 PolarHBondContact OE2-ND2 3.36Å; P76-N79 WeakPolarHBondContact CD-ND2 3.29Å; P76-N79 HydrophobicContact CG-CB 4.36Å; P76-N79 WeakPolarHBondContact O-CB 3.48Å; P76-N79 PolarHBondContact O-N 3.34Å; R77-N79 PolarHBondContact O-N 3.09Å; N79-K81 PolarHBondContact O-N 3.38Å |
| 80 | L | 95.4 | Very high | 96 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | trans | -89.7 | 98.7 | -172.9 | -59.6 | 179.3 | 0 | 0 | 0 | 111.6 | V45 L48 Y60 V62 E75 R77 Q78 C82 L86 | V45-L80 HydrophobicContact CG2-CD2 4.19Å; L48-L80 HydrophobicContact CD2-CD1 4.18Å; Y60-L80 HydrophobicContact CD2-CD1 3.56Å; Y60-L80 HydrophobicContact CE2-CD1 4.37Å; Y60-L80 HydrophobicContact CG-CD1 3.82Å; V62-L80 HydrophobicContact CG2-CD2 3.86Å; E75-L80 HydrophobicContact CB-CD2 4.03Å; E75-L80 HydrophobicContact CB-CG 4.36Å; R77-L80 PolarHBondContact NH1-O 3.11Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-L80 VanDerWaalsContact O-N 3.15Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; L80-C82 VanDerWaalsContact C-N 3.28Å; L80-L86 HydrophobicContact CB-CD1 3.92Å; L80-L86 HydrophobicContact CD1-CD2 4Å | ||
| 81 | K | 94 | Very high | 96 | Very high | 161 Ų | 161 | 72.1 Ų | 72.1 | 70% | 0.7 | 34% | 0.335 | S | S | * | . | trans | -81.1 | -4.3 | 173.9 | -59.5 | 174.8 | -171.9 | 160.1 | 0 | 113.2 | D42 N79 V83 | D42-K81 IonicContact OD1-NZ 3.24Å; D42-K81 PolarHBondContact OD1-NZ 3.27Å; D42-K81 IonicContact OD2-NZ 3.96Å; N79-K81 PolarHBondContact O-N 3.38Å; K81-V83 VanDerWaalsContact C-N 3.3Å; K81-V83 PolarHBondContact O-N 2.95Å | ||
| 82 | C | 93.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 67.9 Ų | 67.9 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -80.3 | 62.5 | -175.6 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | V45 L80 R84 I85 L86 | V45-C82 HydrophobicContact CB-CB 4.49Å; L80-C82 VanDerWaalsContact C-N 3.28Å; C82-R84 PolarHBondContact O-N 2.87Å; C82-I85 HydrophobicContact CB-CB 4.18Å; C82-I85 HydrophobicContact CB-CD1 4.11Å; C82-I85 HydrophobicContact CB-CG1 4.27Å; C82-I85 PolarHBondContact O-N 3.05Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-L86 VanDerWaalsContact O-N 3.08Å | ||
| 83 | V | 95.8 | Very high | 96 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.4 | -39.5 | -173.8 | -179.7 | 0 | 0 | 0 | 0 | 113.4 | K81 K87 | K81-V83 VanDerWaalsContact C-N 3.3Å; K81-V83 PolarHBondContact O-N 2.95Å; V83-K87 HydrophobicContact CG1-CD 4.17Å; V83-K87 HydrophobicContact CG1-CG 4.4Å; V83-K87 WeakPolarHBondContact O-CB 3.5Å; V83-K87 WeakPolarHBondContact O-CG 3.22Å; V83-K87 PolarHBondContact O-N 3.38Å |
| 84 | R | 95.7 | Very high | 96 | Very high | 209 Ų | 209 | 68.3 Ų | 68.3 | 79% | 0.789 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 179.1 | -68.4 | 179.6 | 67.4 | -176.7 | 2.1 | 112.7 | C82 Q88 | C82-R84 PolarHBondContact O-N 2.87Å; R84-Q88 WeakPolarHBondContact O-CB 3.23Å; R84-Q88 PolarHBondContact O-N 2.79Å |
| 85 | I | 96.5 | Very high | 95.8 | Very high | 51 Ų | 51 | 69 Ų | 69 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 179.5 | -60.3 | -179.4 | 0 | 0 | 0 | 109.7 | V45 L48 C82 Q88 F89 | V45-I85 HydrophobicContact CB-CD1 4.06Å; V45-I85 HydrophobicContact CG1-CD1 3.89Å; V45-I85 HydrophobicContact CG1-CG2 4.27Å; V45-I85 WeakPolarHBondContact O-CD1 3.19Å; L48-I85 HydrophobicContact CD1-CG2 4.14Å; L48-I85 HydrophobicContact CG-CG2 3.87Å; C82-I85 HydrophobicContact CB-CB 4.18Å; C82-I85 HydrophobicContact CB-CD1 4.11Å; C82-I85 HydrophobicContact CB-CG1 4.27Å; C82-I85 PolarHBondContact O-N 3.05Å; I85-Q88 PolarHBondContact O-N 3.27Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 2.8Å |
| 86 | L | 97.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 175.6 | -76.6 | 162.7 | 0 | 0 | 0 | 112.5 | L48 Y60 L80 C82 Q88 F89 H90 | L48-L86 HydrophobicContact CD1-CD2 3.65Å; L48-L86 HydrophobicContact CD1-CG 4.16Å; Y60-L86 HydrophobicContact CD1-CD2 4.17Å; Y60-L86 HydrophobicContact CD2-CD2 4.32Å; Y60-L86 HydrophobicContact CE1-CD2 3.77Å; Y60-L86 HydrophobicContact CE2-CD2 3.99Å; Y60-L86 HydrophobicContact CG-CD2 4.43Å; L80-L86 HydrophobicContact CB-CD1 3.92Å; L80-L86 HydrophobicContact CD1-CD2 4Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-L86 VanDerWaalsContact O-N 3.08Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.75Å; L86-F89 PolarHBondContact O-N 2.59Å; L86-H90 PolarHBondContact O-CD2 3.47Å; L86-H90 PolarHBondContact O-N 3.31Å; L86-H90 VanDerWaalsContact O-N 3.09Å |
| 87 | K | 96.7 | Very high | 95.5 | Very high | 151 Ų | 151 | 67.1 Ų | 67.1 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 176.6 | -76.4 | -177 | 177.5 | -173.5 | 0 | 111.7 | V83 K91 | V83-K87 HydrophobicContact CG1-CD 4.17Å; V83-K87 HydrophobicContact CG1-CG 4.4Å; V83-K87 WeakPolarHBondContact O-CB 3.5Å; V83-K87 WeakPolarHBondContact O-CG 3.22Å; V83-K87 PolarHBondContact O-N 3.38Å; K87-K91 WeakPolarHBondContact O-CB 3.47Å; K87-K91 PolarHBondContact O-N 2.67Å |
| 88 | Q | 96.2 | Very high | 95.4 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 179.1 | -173.7 | 58.6 | 72.6 | 0 | 0 | 112.2 | R84 I85 L86 H90 K91 D92 | R84-Q88 WeakPolarHBondContact O-CB 3.23Å; R84-Q88 PolarHBondContact O-N 2.79Å; I85-Q88 PolarHBondContact O-N 3.27Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.75Å; Q88-H90 PolarHBondContact O-N 3.25Å; Q88-K91 PolarHBondContact O-N 2.89Å; Q88-D92 VanDerWaalsContact NE2-CG 3.34Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact NE2-OD2 3.16Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.47Å |
| 89 | F | 97.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 4% | 0.044 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 176.8 | 177.4 | -89.6 | 0 | 0 | 0 | 111.7 | L48 Y51 Y60 I85 L86 K91 D92 L93 L110 L118 | L48-F89 HydrophobicContact CB-CB 4.47Å; L48-F89 HydrophobicContact CB-CD2 3.54Å; L48-F89 HydrophobicContact CB-CE2 3.9Å; L48-F89 HydrophobicContact CB-CG 4.09Å; L48-F89 HydrophobicContact CD1-CB 4Å; L48-F89 HydrophobicContact CD1-CD2 4.43Å; L48-F89 HydrophobicContact CD1-CG 4.11Å; Y51-F89 HydrophobicContact CG-CE1 4.48Å; Y60-F89 HydrophobicContact CD1-CD1 4.35Å; Y60-F89 HydrophobicContact CD1-CE1 4.18Å; Y60-F89 HydrophobicContact CE1-CD1 4.1Å; Y60-F89 HydrophobicContact CE1-CE1 4.1Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 2.8Å; L86-F89 PolarHBondContact O-N 2.59Å; F89-K91 PolarHBondContact O-N 3.31Å; F89-D92 PolarHBondContact O-N 3.03Å; F89-L93 HydrophobicContact CE1-CD2 4.21Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 2.82Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-L110 HydrophobicContact CZ-CD1 4.12Å; F89-L118 HydrophobicContact CD2-CD1 4.33Å; F89-L118 HydrophobicContact CE1-CD1 4.32Å; F89-L118 HydrophobicContact CE2-CB 4.13Å; F89-L118 HydrophobicContact CE2-CD1 3.57Å; F89-L118 HydrophobicContact CE2-CG 4.37Å; F89-L118 HydrophobicContact CZ-CD1 3.56Å |
| 90 | H | 96.3 | Very high | 95 | Very high | 51 Ų | 51 | 66.9 Ų | 66.9 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -35 | 178.3 | -80.4 | -67.3 | 0 | 0 | 0 | 113 | Y60 L86 Q88 L93 E94 | Y60-H90 AromaticContact CE1-NE2 3.69Å; Y60-H90 AromaticContact CZ-NE2 3.69Å; Y60-H90 PolarHBondContact OH-NE2 2.96Å; L86-H90 PolarHBondContact O-CD2 3.47Å; L86-H90 PolarHBondContact O-N 3.31Å; L86-H90 VanDerWaalsContact O-N 3.09Å; Q88-H90 PolarHBondContact O-N 3.25Å; H90-L93 PolarHBondContact O-N 2.87Å; H90-E94 VanDerWaalsContact O-CB 3.31Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.45Å |
| 91 | K | 95.7 | Very high | 94.6 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 173 | -175.9 | -176.3 | 178.4 | -168 | 0 | 111.8 | K87 Q88 F89 R95 | K87-K91 WeakPolarHBondContact O-CB 3.47Å; K87-K91 PolarHBondContact O-N 2.67Å; Q88-K91 PolarHBondContact O-N 2.89Å; F89-K91 PolarHBondContact O-N 3.31Å; K91-R95 WeakPolarHBondContact O-CB 3.45Å; K91-R95 VanDerWaalsContact O-CG 3.28Å; K91-R95 WeakPolarHBondContact O-CG 3.34Å; K91-R95 PolarHBondContact O-N 3.07Å; K91-R95 VanDerWaalsContact O-N 3.17Å |
| 92 | D | 96.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 178.3 | -66.1 | -27.3 | 0 | 0 | 0 | 110.7 | Q88 F89 E96 L118 K121 R125 | Q88-D92 VanDerWaalsContact NE2-CG 3.34Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact NE2-OD2 3.16Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.47Å; F89-D92 PolarHBondContact O-N 3.03Å; D92-E96 PolarHBondContact O-N 2.99Å; D92-E96 VanDerWaalsContact O-N 3.1Å; D92-L118 HydrophobicContact CB-CD2 3.85Å; D92-K121 HydrophobicContact CB-CG 4.13Å; D92-R125 IonicContact OD1-CZ 2.61Å; D92-R125 IonicContact OD1-NH2 2.7Å; D92-R125 PolarHBondContact OD1-NH2 3.19Å; D92-R125 IonicContact OD2-NE 3.37Å; D92-R125 IonicContact OD2-NH2 3.2Å |
| 93 | L | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 175.4 | 173.9 | 59.2 | 0 | 0 | 0 | 112.4 | F89 H90 R95 E96 L97 T106 L110 L114 L118 | F89-L93 HydrophobicContact CE1-CD2 4.21Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 2.82Å; F89-L93 PolarHBondContact O-N 3.48Å; H90-L93 PolarHBondContact O-N 2.87Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.41Å; L93-E96 PolarHBondContact O-N 2.68Å; L93-L97 HydrophobicContact CD1-CD1 3.8Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; L93-T106 HydrophobicContact CD2-CG2 3.87Å; L93-L110 HydrophobicContact CD1-CD2 3.76Å; L93-L110 HydrophobicContact CD2-CD2 4.2Å; L93-L114 HydrophobicContact CD1-CD1 4.13Å; L93-L114 HydrophobicContact CD1-CD2 3.68Å; L93-L114 HydrophobicContact CD1-CG 4.02Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 4.16Å |
| 94 | E | 95 | Very high | 93.4 | Very high | 92 Ų | 92 | 79 Ų | 79 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 179.2 | -179.3 | 174.2 | -158.1 | 0 | 0 | 111.6 | H90 L97 L98 | H90-E94 VanDerWaalsContact O-CB 3.31Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.45Å; E94-L97 PolarHBondContact O-N 3.15Å; E94-L98 HydrophobicContact CG-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 3.16Å |
| 95 | R | 93.8 | Very high | 93.1 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.5 | -76.2 | 174.1 | 171.8 | -159.1 | -16.9 | 112.6 | K91 L93 L98 R99 E150 | K91-R95 WeakPolarHBondContact O-CB 3.45Å; K91-R95 VanDerWaalsContact O-CG 3.28Å; K91-R95 WeakPolarHBondContact O-CG 3.34Å; K91-R95 PolarHBondContact O-N 3.07Å; K91-R95 VanDerWaalsContact O-N 3.17Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.41Å; R95-L98 PolarHBondContact O-N 3.4Å; R95-R99 WeakPolarHBondContact O-CB 3.43Å; R95-R99 PolarHBondContact O-N 2.92Å; R95-E150 IonicContact CZ-OE2 3.83Å; R95-E150 IonicContact NH1-OE1 3.67Å; R95-E150 IonicContact NH1-OE2 2.95Å; R95-E150 PolarHBondContact NH1-OE2 2.61Å |
| 96 | E | 94.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 77.9 Ų | 77.9 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 179.9 | -172.8 | 64.3 | -177.4 | 0 | 0 | 111.9 | D92 L93 R99 R100 L114 Y117 | D92-E96 PolarHBondContact O-N 2.99Å; D92-E96 VanDerWaalsContact O-N 3.1Å; L93-E96 PolarHBondContact O-N 2.68Å; E96-R99 PolarHBondContact O-N 2.92Å; E96-R100 HydrophobicContact CG-CG 4.41Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 WeakPolarHBondContact O-CG 3.01Å; E96-R100 PolarHBondContact O-N 2.7Å; E96-R100 IonicContact OE1-CZ 2.9Å; E96-R100 IonicContact OE1-NE 2.82Å; E96-R100 PolarHBondContact OE1-NE 3.02Å; E96-R100 IonicContact OE1-NH2 3.77Å; E96-R100 PolarHBondContact OE1-NH2 3.26Å; E96-L114 HydrophobicContact CB-CD1 3.92Å; E96-L114 HydrophobicContact CG-CD1 3.49Å; E96-L114 VanDerWaalsContact CG-CD1 3.49Å; E96-Y117 HydrophobicContact CB-CD1 3.84Å; E96-Y117 HydrophobicContact CB-CE1 3.6Å; E96-Y117 HydrophobicContact CG-CD1 3.58Å; E96-Y117 HydrophobicContact CG-CD2 4.35Å; E96-Y117 HydrophobicContact CG-CE1 3.74Å; E96-Y117 HydrophobicContact CG-CE2 4.46Å; E96-Y117 HydrophobicContact CG-CG 3.92Å; E96-Y117 WeakPolarHBondContact OE2-CE2 3.31Å; E96-Y117 VanDerWaalsContact OE2-CZ 3.29Å |
| 97 | L | 94.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 79.7 Ų | 79.7 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 173.1 | -72.3 | 173.1 | 0 | 0 | 0 | 111.9 | L93 E94 R99 R100 H101 R103 L114 | L93-L97 HydrophobicContact CD1-CD1 3.8Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; E94-L97 PolarHBondContact O-N 3.15Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.31Å; L97-R100 PolarHBondContact O-N 3.42Å; L97-H101 PolarHBondContact O-N 3.17Å; L97-R103 CarbonylContact C-O 3.58Å; L97-R103 VanDerWaalsContact CB-O 3.26Å; L97-R103 WeakPolarHBondContact CB-O 3.44Å; L97-L114 HydrophobicContact CD2-CD2 3.71Å; L97-L114 HydrophobicContact CG-CD2 4.35Å |
| 98 | L | 93.6 | Very high | 92.4 | Very high | 78 Ų | 78 | 81 Ų | 81 | 41% | 0.408 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 174.9 | -76.2 | 168.1 | 0 | 0 | 0 | 111.3 | E94 R95 H102 R103 | E94-L98 HydrophobicContact CG-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 3.16Å; R95-L98 PolarHBondContact O-N 3.4Å; L98-H102 VanDerWaalsContact O-CA 3.26Å; L98-H102 WeakPolarHBondContact O-CA 3.31Å; L98-H102 PolarHBondContact O-N 3.1Å; L98-R103 PolarHBondContact N-O 2.95Å |
| 99 | R | 90 | Very high | 92.3 | Very high | 162 Ų | 162 | 84.7 Ų | 84.7 | 61% | 0.611 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 177.3 | -175.5 | -175.4 | 174.9 | 176.2 | 3.1 | 113 | R95 E96 L97 | R95-R99 WeakPolarHBondContact O-CB 3.43Å; R95-R99 PolarHBondContact O-N 2.92Å; E96-R99 PolarHBondContact O-N 2.92Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.31Å |
| 100 | R | 90.7 | Very high | 92.2 | Very high | 79 Ų | 79 | 85 Ų | 85 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -82.9 | -36.5 | -175.7 | -70.3 | -176.7 | -174.4 | -161.7 | 1.9 | 114.1 | E96 L97 D111 S113 | E96-R100 HydrophobicContact CG-CG 4.41Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 WeakPolarHBondContact O-CG 3.01Å; E96-R100 PolarHBondContact O-N 2.7Å; E96-R100 IonicContact OE1-CZ 2.9Å; E96-R100 IonicContact OE1-NE 2.82Å; E96-R100 PolarHBondContact OE1-NE 3.02Å; E96-R100 IonicContact OE1-NH2 3.77Å; E96-R100 PolarHBondContact OE1-NH2 3.26Å; L97-R100 PolarHBondContact O-N 3.42Å; R100-D111 IonicContact NH1-OD1 3.94Å; R100-S113 PolarHBondContact NH1-OG 2.97Å; R100-S113 PolarHBondContact NH2-OG 2.93Å |
| 101 | H | 88 | Confident | 92.1 | Very high | 104 Ų | 104 | 85.6 Ų | 85.6 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -131.2 | -0.1 | -164.8 | -57.6 | -52.3 | 0 | 0 | 0 | 113.9 | L97 R103 | L97-H101 PolarHBondContact O-N 3.17Å; H101-R103 PolarHBondContact O-N 2.77Å; H101-R103 VanDerWaalsContact O-N 3.17Å |
| 102 | H | 87.2 | Confident | 92.1 | Very high | 169 Ų | 169 | 87 Ų | 87 | 78% | 0.782 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 52.7 | 32.9 | -173.4 | -57.7 | -73.5 | 0 | 0 | 0 | 113.1 | L98 | L98-H102 VanDerWaalsContact O-CA 3.26Å; L98-H102 WeakPolarHBondContact O-CA 3.31Å; L98-H102 PolarHBondContact O-N 3.1Å |
| 103 | R | 86.9 | Confident | 92.1 | Very high | 190 Ų | 190 | 89.8 Ų | 89.8 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | trans | -140.1 | 145.7 | 179.6 | -68.5 | 178.7 | 179.1 | -179.7 | 0 | 109.9 | L97 L98 H101 | L97-R103 CarbonylContact C-O 3.58Å; L97-R103 VanDerWaalsContact CB-O 3.26Å; L97-R103 WeakPolarHBondContact CB-O 3.44Å; L98-R103 PolarHBondContact N-O 2.95Å; H101-R103 PolarHBondContact O-N 2.77Å; H101-R103 VanDerWaalsContact O-N 3.17Å | ||
| 104 | S | 84.5 | Confident | 92 | Very high | 58 Ų | 58 | 89.8 Ų | 89.8 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | trans | -102.8 | -5.1 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | T106 | S104-T106 PolarHBondContact O-N 2.82Å; S104-T106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | K | 89 | Confident | 92.1 | Very high | 184 Ų | 184 | 86 Ų | 86 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | trans | -69.1 | 115.7 | -174.3 | -171.6 | 177.9 | -176.9 | 176.9 | 0 | 111.1 | ||||
| 106 | T | 89.8 | Confident | 92.3 | Very high | 53 Ų | 53 | 85.8 Ų | 85.8 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | trans | -56.3 | 122.8 | 174.3 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | Y51 L93 S104 | Y51-T106 HydrophobicContact CD1-CG2 4.02Å; Y51-T106 HydrophobicContact CE1-CG2 3.49Å; Y51-T106 VanDerWaalsContact CE1-CG2 3.49Å; L93-T106 HydrophobicContact CD2-CG2 3.87Å; S104-T106 PolarHBondContact O-N 2.82Å; S104-T106 VanDerWaalsContact O-N 3.16Å | ||
| 107 | P | 91.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 86.3 Ų | 86.3 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | trans | -73.7 | 160.5 | 177.7 | 32.5 | -36.4 | 0 | 0 | 0 | 111 | Y51 H109 L110 | Y51-P107 WeakPolarHBondContact CE1-O 3.48Å; P107-H109 WeakPolarHBondContact CB-O 3.28Å; P107-H109 WeakPolarHBondContact CG-O 3.37Å; P107-H109 PolarHBondContact O-N 3.25Å; P107-L110 HydrophobicContact CG-CD2 3.87Å | ||
| 108 | R | 93.4 | Very high | 92.6 | Very high | 177 Ų | 177 | 86 Ų | 86 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -66.7 | -27 | 176.6 | -73.6 | -173.1 | 176.2 | 179.3 | -1.5 | 113.1 | K52 K53 | K52-R108 CarbonylContact C-O 3.54Å; K52-R108 VanDerWaalsContact CA-O 3.23Å; K52-R108 WeakPolarHBondContact CA-O 3.41Å; K53-R108 PolarHBondContact N-O 3.28Å |
| 109 | H | 94.8 | Very high | 92.7 | Very high | 115 Ų | 115 | 83.3 Ų | 83.3 | 53% | 0.532 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -140.6 | 140.6 | 176 | -62.4 | -85 | 0 | 0 | 0 | 107.6 | K52 P107 | K52-H109 WeakPolarHBondContact CB-ND1 3.47Å; P107-H109 WeakPolarHBondContact CB-O 3.28Å; P107-H109 WeakPolarHBondContact CG-O 3.37Å; P107-H109 PolarHBondContact O-N 3.25Å |
| 110 | L | 95.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 79.5 Ų | 79.5 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | trans | -78.7 | 143.5 | 170.8 | -51.3 | -172.3 | 0 | 0 | 0 | 109.6 | D50 Y51 F89 L93 P107 L114 A115 L118 | D50-L110 WeakPolarHBondContact OD1-CB 3.41Å; D50-L110 WeakPolarHBondContact OD1-CD1 3.32Å; Y51-L110 HydrophobicContact CD1-CD2 4.33Å; Y51-L110 PolarHBondContact O-N 2.92Å; F89-L110 HydrophobicContact CZ-CD1 4.12Å; L93-L110 HydrophobicContact CD1-CD2 3.76Å; L93-L110 HydrophobicContact CD2-CD2 4.2Å; P107-L110 HydrophobicContact CG-CD2 3.87Å; L110-L114 HydrophobicContact CB-CD2 4.49Å; L110-L114 HydrophobicContact CD2-CD2 3.88Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-A115 HydrophobicContact CB-CB 4.31Å; L110-A115 HydrophobicContact CD1-CB 4.45Å; L110-L118 HydrophobicContact CD1-CD1 3.48Å; L110-L118 VanDerWaalsContact CD1-CD1 3.48Å | ||
| 111 | D | 94.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | trans | -72.4 | 157.3 | 164.6 | 69.2 | 81.2 | 0 | 0 | 0 | 110.4 | R100 S113 L114 A115 | R100-D111 IonicContact NH1-OD1 3.94Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.23Å; D111-S113 WeakPolarHBondContact OD1-CB 3.23Å; D111-S113 PolarHBondContact OD1-N 3.27Å; D111-L114 PolarHBondContact O-N 3.21Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact OD1-N 2.85Å; D111-L114 WeakPolarHBondContact OD2-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.07Å | ||
| 112 | P | 95.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 71.8 Ų | 71.8 | 74% | 0.74 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.8 | -30.7 | -177.6 | -27.6 | 35.7 | 0 | 0 | 0 | 114.8 | N116 | P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.37Å; P112-N116 PolarHBondContact O-N 3.16Å |
| 113 | S | 95.2 | Very high | 94.4 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.5 | -40.8 | 179.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | R100 D111 Y117 | R100-S113 PolarHBondContact NH1-OG 2.97Å; R100-S113 PolarHBondContact NH2-OG 2.93Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.23Å; D111-S113 WeakPolarHBondContact OD1-CB 3.23Å; D111-S113 PolarHBondContact OD1-N 3.27Å; S113-Y117 WeakPolarHBondContact O-CB 3.36Å; S113-Y117 PolarHBondContact O-N 2.88Å |
| 114 | L | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 175.4 | -175.9 | 57 | 0 | 0 | 0 | 111.6 | L93 E96 L97 L110 D111 Y117 L118 | L93-L114 HydrophobicContact CD1-CD1 4.13Å; L93-L114 HydrophobicContact CD1-CD2 3.68Å; L93-L114 HydrophobicContact CD1-CG 4.02Å; E96-L114 HydrophobicContact CB-CD1 3.92Å; E96-L114 HydrophobicContact CG-CD1 3.49Å; E96-L114 VanDerWaalsContact CG-CD1 3.49Å; L97-L114 HydrophobicContact CD2-CD2 3.71Å; L97-L114 HydrophobicContact CG-CD2 4.35Å; L110-L114 HydrophobicContact CB-CD2 4.49Å; L110-L114 HydrophobicContact CD2-CD2 3.88Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; D111-L114 PolarHBondContact O-N 3.21Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact OD1-N 2.85Å; D111-L114 WeakPolarHBondContact OD2-CB 3.48Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å |
| 115 | A | 96.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D50 L110 D111 Y117 L118 V119 | D50-A115 HydrophobicContact CB-CB 4.47Å; L110-A115 HydrophobicContact CB-CB 4.31Å; L110-A115 HydrophobicContact CD1-CB 4.45Å; D111-A115 PolarHBondContact O-N 3.07Å; A115-Y117 VanDerWaalsContact C-N 3.34Å; A115-Y117 PolarHBondContact O-N 3.47Å; A115-L118 PolarHBondContact O-N 3.35Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 2.9Å |
| 116 | N | 97 | Very high | 95.8 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.7 | -179.3 | 50.4 | 0 | 0 | 0 | 111.9 | P112 L118 V119 Q120 | P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.37Å; P112-N116 PolarHBondContact O-N 3.16Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.9Å; N116-V119 PolarHBondContact O-N 3.46Å; N116-Q120 WeakPolarHBondContact O-CG 3.31Å; N116-Q120 PolarHBondContact O-N 2.81Å |
| 117 | Y | 97.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 9% | 0.09 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 175.1 | 172.4 | -88.5 | 0 | 0 | 0 | 111.9 | E96 S113 L114 A115 V119 Q120 K121 L153 | E96-Y117 HydrophobicContact CB-CD1 3.84Å; E96-Y117 HydrophobicContact CB-CE1 3.6Å; E96-Y117 HydrophobicContact CG-CD1 3.58Å; E96-Y117 HydrophobicContact CG-CD2 4.35Å; E96-Y117 HydrophobicContact CG-CE1 3.74Å; E96-Y117 HydrophobicContact CG-CE2 4.46Å; E96-Y117 HydrophobicContact CG-CG 3.92Å; E96-Y117 WeakPolarHBondContact OE2-CE2 3.31Å; E96-Y117 VanDerWaalsContact OE2-CZ 3.29Å; S113-Y117 WeakPolarHBondContact O-CB 3.36Å; S113-Y117 PolarHBondContact O-N 2.88Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; A115-Y117 VanDerWaalsContact C-N 3.34Å; A115-Y117 PolarHBondContact O-N 3.47Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 3.5Å; Y117-Q120 PolarHBondContact O-N 2.82Å; Y117-Q120 VanDerWaalsContact O-N 3.17Å; Y117-K121 HydrophobicContact CE1-CB 4.26Å; Y117-K121 HydrophobicContact CE1-CG 4.48Å; Y117-K121 WeakPolarHBondContact O-CB 3.26Å; Y117-K121 PolarHBondContact O-N 3.17Å; Y117-L153 HydrophobicContact CD2-CD1 3.99Å; Y117-L153 HydrophobicContact CD2-CD2 4.36Å; Y117-L153 HydrophobicContact CD2-CG 4.39Å; Y117-L153 HydrophobicContact CE2-CD1 4.14Å; Y117-L153 HydrophobicContact CE2-CD2 3.96Å; Y117-L153 HydrophobicContact CE2-CG 4.05Å |
| 118 | L | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | -179.9 | -66 | 172.6 | 0 | 0 | 0 | 112.2 | F89 D92 L93 L110 L114 A115 N116 K121 A122 | F89-L118 HydrophobicContact CD2-CD1 4.33Å; F89-L118 HydrophobicContact CE1-CD1 4.32Å; F89-L118 HydrophobicContact CE2-CB 4.13Å; F89-L118 HydrophobicContact CE2-CD1 3.57Å; F89-L118 HydrophobicContact CE2-CG 4.37Å; F89-L118 HydrophobicContact CZ-CD1 3.56Å; D92-L118 HydrophobicContact CB-CD2 3.85Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 4.16Å; L110-L118 HydrophobicContact CD1-CD1 3.48Å; L110-L118 VanDerWaalsContact CD1-CD1 3.48Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å; A115-L118 PolarHBondContact O-N 3.35Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.9Å; L118-K121 PolarHBondContact O-N 2.96Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.12Å |
| 119 | V | 97.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 172.1 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | Y47 C49 A115 N116 Y117 K121 A122 K123 | Y47-V119 HydrophobicContact CE2-CG1 4.06Å; C49-V119 HydrophobicContact CB-CG2 3.76Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 2.9Å; N116-V119 PolarHBondContact O-N 3.46Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 3.5Å; V119-K121 PolarHBondContact O-N 3.42Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-K123 HydrophobicContact CG1-CD 4.18Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.42Å |
| 120 | Q | 97.7 | Very high | 96.8 | Very high | 82 Ų | 82 | 48.5 Ų | 48.5 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.1 | -64 | -55.9 | -30.3 | 0 | 0 | 111.5 | N116 Y117 A122 K123 Q124 L153 | N116-Q120 WeakPolarHBondContact O-CG 3.31Å; N116-Q120 PolarHBondContact O-N 2.81Å; Y117-Q120 PolarHBondContact O-N 2.82Å; Y117-Q120 VanDerWaalsContact O-N 3.17Å; Q120-A122 VanDerWaalsContact C-N 3.35Å; Q120-A122 PolarHBondContact O-N 3.19Å; Q120-K123 PolarHBondContact O-N 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 PolarHBondContact O-N 2.97Å; Q120-L153 HydrophobicContact CB-CD1 3.88Å; Q120-L153 HydrophobicContact CB-CD2 4.2Å |
| 121 | K | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 177.3 | -168 | 70.7 | -172.3 | 161.7 | 0 | 111.7 | D92 Y117 L118 V119 Q124 R125 N149 D152 L153 | D92-K121 HydrophobicContact CB-CG 4.13Å; Y117-K121 HydrophobicContact CE1-CB 4.26Å; Y117-K121 HydrophobicContact CE1-CG 4.48Å; Y117-K121 WeakPolarHBondContact O-CB 3.26Å; Y117-K121 PolarHBondContact O-N 3.17Å; L118-K121 PolarHBondContact O-N 2.96Å; V119-K121 PolarHBondContact O-N 3.42Å; K121-Q124 VanDerWaalsContact CD-OE1 3.29Å; K121-Q124 PolarHBondContact O-N 3.27Å; K121-R125 WeakPolarHBondContact O-CB 3.39Å; K121-R125 PolarHBondContact O-N 3.46Å; K121-N149 PolarHBondContact NZ-O 2.85Å; K121-D152 PolarHBondContact NZ-O 2.97Å; K121-L153 HydrophobicContact CB-CD2 3.94Å; K121-L153 HydrophobicContact CD-CD2 3.74Å; K121-L153 HydrophobicContact CG-CD2 4.49Å |
| 122 | A | 97.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 48 Ų | 48 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y47 L118 V119 Q120 R125 R126 | Y47-A122 HydrophobicContact CD1-CB 4.45Å; Y47-A122 HydrophobicContact CD2-CB 4.01Å; Y47-A122 HydrophobicContact CG-CB 3.77Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.12Å; V119-A122 PolarHBondContact O-N 3.35Å; Q120-A122 VanDerWaalsContact C-N 3.35Å; Q120-A122 PolarHBondContact O-N 3.19Å; A122-R125 PolarHBondContact O-N 2.97Å; A122-R126 WeakPolarHBondContact O-CG 3.43Å; A122-R126 PolarHBondContact O-N 3.11Å; A122-R126 VanDerWaalsContact O-N 3.16Å |
| 123 | K | 97.2 | Very high | 97.3 | Very high | 77 Ų | 77 | 49 Ų | 49 | 34% | 0.335 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.8 | -73.2 | 179.2 | 179.5 | -178.7 | 0 | 111.3 | Y47 D69 V119 Q120 R126 A127 | Y47-K123 HydrophobicContact CE1-CG 4.21Å; Y47-K123 WeakPolarHBondContact OH-CE 3.22Å; D69-K123 IonicContact OD2-NZ 3.02Å; V119-K123 HydrophobicContact CG1-CD 4.18Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.42Å; Q120-K123 PolarHBondContact O-N 3.27Å; K123-R126 PolarHBondContact O-N 2.86Å; K123-A127 PolarHBondContact O-N 3.47Å |
| 124 | Q | 98 | Very high | 97.4 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.3 | -51.9 | 175.1 | -179.4 | -147.3 | 28.7 | 0 | 0 | 111.1 | Q120 K121 R126 A127 L128 N149 D152 L153 D154 | Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 PolarHBondContact O-N 2.97Å; K121-Q124 VanDerWaalsContact CD-OE1 3.29Å; K121-Q124 PolarHBondContact O-N 3.27Å; Q124-R126 PolarHBondContact O-N 2.95Å; Q124-A127 WeakPolarHBondContact O-CA 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.44Å; Q124-A127 PolarHBondContact O-N 3.34Å; Q124-L128 HydrophobicContact CG-CD1 4.02Å; Q124-L128 HydrophobicContact CG-CG 4.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 3.46Å; Q124-N149 VanDerWaalsContact NE2-CG 3.28Å; Q124-N149 PolarHBondContact NE2-ND2 3.22Å; Q124-D152 PolarHBondContact NE2-O 3.09Å; Q124-D152 PolarHBondContact OE1-O 3.38Å; Q124-L153 VanDerWaalsContact NE2-CA 3.34Å; Q124-D154 PolarHBondContact NE2-O 3.43Å |
| 125 | R | 97.1 | Very high | 97.5 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -35.2 | -178.9 | -168.2 | 176 | -66.3 | -82.9 | -0.2 | 112.3 | D92 K121 A122 R129 E150 | D92-R125 IonicContact OD1-CZ 2.61Å; D92-R125 IonicContact OD1-NH2 2.7Å; D92-R125 PolarHBondContact OD1-NH2 3.19Å; D92-R125 IonicContact OD2-NE 3.37Å; D92-R125 IonicContact OD2-NH2 3.2Å; K121-R125 WeakPolarHBondContact O-CB 3.39Å; K121-R125 PolarHBondContact O-N 3.46Å; A122-R125 PolarHBondContact O-N 2.97Å; R125-R129 VanDerWaalsContact O-CG 3.31Å; R125-R129 WeakPolarHBondContact O-CG 3.26Å; R125-R129 PolarHBondContact O-N 2.99Å; R125-R129 VanDerWaalsContact O-N 3.08Å; R125-E150 IonicContact CZ-OE1 3.17Å; R125-E150 IonicContact CZ-OE2 2.98Å; R125-E150 IonicContact NH1-OE1 2.8Å; R125-E150 PolarHBondContact NH1-OE1 3.01Å; R125-E150 IonicContact NH2-OE1 3.74Å; R125-E150 PolarHBondContact NH2-OE1 3.01Å; R125-E150 IonicContact NH2-OE2 2.68Å; R125-E150 PolarHBondContact NH2-OE2 3.3Å |
| 126 | R | 96 | Very high | 97.6 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 31% | 0.306 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.1 | -39.5 | 173.5 | -70.3 | 177.5 | 63.9 | -141.1 | 6.3 | 112.7 | E46 A122 K123 Q124 R129 R130 | E46-R126 VanDerWaalsContact CD-NH1 3.32Å; E46-R126 IonicContact OE1-CZ 3.99Å; E46-R126 IonicContact OE1-NH1 3.61Å; E46-R126 PolarHBondContact OE1-NH1 2.97Å; E46-R126 IonicContact OE1-NH2 3.9Å; E46-R126 PolarHBondContact OE1-NH2 3.17Å; A122-R126 WeakPolarHBondContact O-CG 3.43Å; A122-R126 PolarHBondContact O-N 3.11Å; A122-R126 VanDerWaalsContact O-N 3.16Å; K123-R126 PolarHBondContact O-N 2.86Å; Q124-R126 PolarHBondContact O-N 2.95Å; R126-R129 PolarHBondContact O-N 2.96Å; R126-R130 PolarHBondContact O-N 3.39Å; R126-R130 VanDerWaalsContact O-N 3.11Å |
| 127 | A | 97.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K123 Q124 R129 R130 W131 P156 | K123-A127 PolarHBondContact O-N 3.47Å; Q124-A127 WeakPolarHBondContact O-CA 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.44Å; Q124-A127 PolarHBondContact O-N 3.34Å; A127-R129 PolarHBondContact O-N 3.03Å; A127-R130 PolarHBondContact O-N 3.4Å; A127-W131 PolarHBondContact O-N 2.69Å; A127-P156 HydrophobicContact CB-CG 4.16Å |
| 128 | L | 98.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.7 | -64.4 | 173.9 | 0 | 0 | 0 | 112.4 | Q124 R130 W131 E132 V147 N149 P156 W256 | Q124-L128 HydrophobicContact CG-CD1 4.02Å; Q124-L128 HydrophobicContact CG-CG 4.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 3.46Å; L128-R130 PolarHBondContact O-N 2.88Å; L128-W131 HydrophobicContact CD2-CE3 4.1Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 PolarHBondContact O-N 2.92Å; L128-E132 WeakPolarHBondContact O-CB 3.44Å; L128-E132 PolarHBondContact O-N 2.86Å; L128-V147 HydrophobicContact CB-CG1 4.21Å; L128-V147 HydrophobicContact CD2-CG1 3.85Å; L128-V147 HydrophobicContact CG-CG1 4.48Å; L128-N149 HydrophobicContact CD1-CB 3.6Å; L128-P156 HydrophobicContact CD2-CG 4.12Å; L128-W256 HydrophobicContact CD1-CH2 4.41Å; L128-W256 HydrophobicContact CD2-CH2 3.67Å; L128-W256 HydrophobicContact CD2-CZ2 4.14Å |
| 129 | R | 97.4 | Very high | 97.6 | Very high | 118 Ų | 118 | 58.4 Ų | 58.4 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 174.3 | -76.5 | 176.4 | -173.9 | 173.2 | 5.8 | 113.3 | R125 R126 A127 Q133 | R125-R129 VanDerWaalsContact O-CG 3.31Å; R125-R129 WeakPolarHBondContact O-CG 3.26Å; R125-R129 PolarHBondContact O-N 2.99Å; R125-R129 VanDerWaalsContact O-N 3.08Å; R126-R129 PolarHBondContact O-N 2.96Å; A127-R129 PolarHBondContact O-N 3.03Å; R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.25Å; R129-Q133 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-N 3.12Å |
| 130 | R | 97.2 | Very high | 97.5 | Very high | 153 Ų | 153 | 61.9 Ų | 61.9 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 174.8 | -73 | -173.7 | -64.7 | -176.4 | 2 | 110.7 | R126 A127 L128 E132 Q133 E134 | R126-R130 PolarHBondContact O-N 3.39Å; R126-R130 VanDerWaalsContact O-N 3.11Å; A127-R130 PolarHBondContact O-N 3.4Å; L128-R130 PolarHBondContact O-N 2.88Å; R130-E132 PolarHBondContact O-N 2.77Å; R130-Q133 WeakPolarHBondContact O-CB 3.45Å; R130-Q133 PolarHBondContact O-N 2.87Å; R130-E134 WeakPolarHBondContact O-CG 3.42Å; R130-E134 PolarHBondContact O-N 2.7Å |
| 131 | W | 98.1 | Very high | 97.5 | Very high | 15 Ų | 15 | 59 Ų | 59 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.1 | -177.7 | 41.5 | 0 | 0 | 0 | 112.3 | A127 L128 Q133 E134 L135 V147 P156 P157 I247 F321 | A127-W131 PolarHBondContact O-N 2.69Å; L128-W131 HydrophobicContact CD2-CE3 4.1Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 PolarHBondContact O-N 2.92Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 3.33Å; W131-E134 WeakPolarHBondContact O-CB 3.4Å; W131-E134 PolarHBondContact O-N 2.69Å; W131-E134 VanDerWaalsContact O-N 3.12Å; W131-L135 HydrophobicContact CD2-CD1 4.11Å; W131-L135 HydrophobicContact CG-CD1 4.42Å; W131-L135 HydrophobicContact CZ2-CD1 4Å; W131-L135 WeakPolarHBondContact O-CG 3.35Å; W131-L135 PolarHBondContact O-N 2.88Å; W131-V147 HydrophobicContact CD2-CG2 4.42Å; W131-V147 HydrophobicContact CE3-CB 4.36Å; W131-V147 HydrophobicContact CE3-CG1 3.61Å; W131-V147 HydrophobicContact CE3-CG2 3.93Å; W131-V147 HydrophobicContact CZ3-CG1 3.55Å; W131-V147 HydrophobicContact CZ3-CG2 4.1Å; W131-P156 HydrophobicContact CB-CB 3.85Å; W131-P156 HydrophobicContact CB-CG 3.57Å; W131-P156 HydrophobicContact CD2-CB 3.78Å; W131-P156 HydrophobicContact CD2-CG 4.23Å; W131-P156 HydrophobicContact CE3-CB 3.9Å; W131-P156 HydrophobicContact CE3-CG 4.14Å; W131-P156 HydrophobicContact CG-CB 3.74Å; W131-P156 HydrophobicContact CG-CG 4.01Å; W131-P157 VanDerWaalsContact CH2-CD 3.46Å; W131-P157 HydrophobicContact CH2-CG 3.99Å; W131-P157 VanDerWaalsContact CZ2-CD 3.46Å; W131-P157 HydrophobicContact CZ2-CG 3.65Å; W131-I247 HydrophobicContact CH2-CD1 4.06Å; W131-I247 HydrophobicContact CH2-CG2 4.08Å; W131-I247 HydrophobicContact CZ2-CD1 4.27Å; W131-I247 HydrophobicContact CZ3-CG2 4.4Å; W131-F321 AromaticContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE2 4.35Å; W131-F321 AromaticContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CZ2-CE1 4.26Å; W131-F321 HydrophobicContact CZ2-CE2 4.14Å; W131-F321 AromaticContact CZ2-CZ 3.58Å; W131-F321 HydrophobicContact CZ2-CZ 3.58Å |
| 132 | E | 98.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.4 | -44.4 | 172.7 | -175.9 | -178.4 | 105.3 | 0 | 0 | 112.1 | L128 R130 L135 N136 I145 T146 V147 | L128-E132 WeakPolarHBondContact O-CB 3.44Å; L128-E132 PolarHBondContact O-N 2.86Å; R130-E132 PolarHBondContact O-N 2.77Å; E132-L135 PolarHBondContact O-N 3.36Å; E132-N136 PolarHBondContact O-N 2.95Å; E132-N136 PolarHBondContact O-ND2 3.44Å; E132-I145 WeakPolarHBondContact CG-O 3.38Å; E132-T146 WeakPolarHBondContact OE2-CA 3.31Å; E132-V147 HydrophobicContact CB-CB 4.25Å; E132-V147 HydrophobicContact CB-CG2 3.96Å; E132-V147 HydrophobicContact CG-CG2 4.4Å; E132-V147 PolarHBondContact OE2-N 3.49Å |
| 133 | Q | 98 | Very high | 97.5 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 176.5 | -71.3 | 168.4 | -9.8 | 0 | 0 | 111.7 | R129 R130 W131 N136 A137 | R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.25Å; R129-Q133 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-N 3.12Å; R130-Q133 WeakPolarHBondContact O-CB 3.45Å; R130-Q133 PolarHBondContact O-N 2.87Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 3.33Å; Q133-N136 PolarHBondContact O-N 2.89Å; Q133-A137 VanDerWaalsContact O-CB 3.3Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.43Å |
| 134 | E | 97.2 | Very high | 97.5 | Very high | 109 Ų | 109 | 66.8 Ų | 66.8 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.7 | -70.8 | 168.5 | -162.6 | 0 | 0 | 112.1 | R130 W131 A137 K138 | R130-E134 WeakPolarHBondContact O-CG 3.42Å; R130-E134 PolarHBondContact O-N 2.7Å; W131-E134 WeakPolarHBondContact O-CB 3.4Å; W131-E134 PolarHBondContact O-N 2.69Å; W131-E134 VanDerWaalsContact O-N 3.12Å; E134-A137 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3Å; E134-K138 VanDerWaalsContact O-N 3.09Å |
| 135 | L | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 175.8 | -67.8 | 172.8 | 0 | 0 | 0 | 111.1 | W131 E132 A137 K138 R139 I145 V147 F160 Y162 I247 | W131-L135 HydrophobicContact CD2-CD1 4.11Å; W131-L135 HydrophobicContact CG-CD1 4.42Å; W131-L135 HydrophobicContact CZ2-CD1 4Å; W131-L135 WeakPolarHBondContact O-CG 3.35Å; W131-L135 PolarHBondContact O-N 2.88Å; E132-L135 PolarHBondContact O-N 3.36Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.06Å; L135-K138 PolarHBondContact O-N 2.68Å; L135-R139 PolarHBondContact O-N 2.99Å; L135-I145 HydrophobicContact CB-CB 4.5Å; L135-I145 HydrophobicContact CB-CG2 4.43Å; L135-I145 HydrophobicContact CD1-CG2 3.87Å; L135-V147 HydrophobicContact CD1-CG2 3.78Å; L135-F160 HydrophobicContact CD2-CE1 4.32Å; L135-Y162 HydrophobicContact CD2-CD2 3.48Å; L135-Y162 VanDerWaalsContact CD2-CD2 3.48Å; L135-Y162 HydrophobicContact CD2-CE2 4.27Å; L135-Y162 HydrophobicContact CD2-CG 3.92Å; L135-I247 HydrophobicContact CD1-CD1 3.83Å |
| 136 | N | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.7 | -22.9 | -179.4 | -74.3 | -76.9 | 0 | 0 | 0 | 113.8 | E132 Q133 R139 I145 | E132-N136 PolarHBondContact O-N 2.95Å; E132-N136 PolarHBondContact O-ND2 3.44Å; Q133-N136 PolarHBondContact O-N 2.89Å; N136-R139 PolarHBondContact O-NE 2.74Å; N136-R139 PolarHBondContact OD1-NE 2.86Å; N136-I145 PolarHBondContact ND2-O 2.81Å; N136-I145 PolarHBondContact OD1-N 2.98Å |
| 137 | A | 97.7 | Very high | 97.8 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 71% | 0.711 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -77.5 | -27.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q133 E134 L135 | Q133-A137 VanDerWaalsContact O-CB 3.3Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.43Å; E134-A137 PolarHBondContact O-N 2.99Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.06Å |
| 138 | K | 97.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -89.4 | -28.3 | -179.7 | -73.6 | -179.6 | 178.3 | -177.2 | 0 | 114.2 | E134 L135 Y162 N164 | E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3Å; E134-K138 VanDerWaalsContact O-N 3.09Å; L135-K138 PolarHBondContact O-N 2.68Å; K138-Y162 HydrophobicContact CB-CD1 4.11Å; K138-N164 PolarHBondContact O-ND2 3.39Å |
| 139 | R | 96.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 22% | 0.219 | 32% | 0.315 | C | S | . | . | trans | -62.8 | 141.8 | -178.1 | 71.8 | -173.7 | 173.2 | 120.5 | 5.8 | 112.4 | L135 N136 H141 L142 G143 Y162 N164 | L135-R139 PolarHBondContact O-N 2.99Å; N136-R139 PolarHBondContact O-NE 2.74Å; N136-R139 PolarHBondContact OD1-NE 2.86Å; R139-H141 PolarHBondContact NH1-O 3.04Å; R139-L142 PolarHBondContact NH1-O 2.91Å; R139-G143 PolarHBondContact NH1-O 3.01Å; R139-Y162 HydrophobicContact CB-CE1 4.11Å; R139-N164 VanDerWaalsContact CA-OD1 3.31Å; R139-N164 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 140 | S | 96.4 | Very high | 97.6 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | trans | -99.1 | -8.4 | 173.7 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | N164 | S140-N164 PolarHBondContact N-OD1 2.92Å; S140-N164 WeakPolarHBondContact OG-CB 3.2Å; S140-N164 VanDerWaalsContact OG-CG 3.28Å; S140-N164 PolarHBondContact OG-OD1 2.7Å | ||
| 141 | H | 97.2 | Very high | 97.5 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -98.4 | 164.7 | -176.5 | 60.3 | 72.8 | 0 | 0 | 0 | 113.1 | R139 G143 Y162 I241 | R139-H141 PolarHBondContact NH1-O 3.04Å; H141-G143 PolarHBondContact CE1-O 3.33Å; H141-G143 PolarHBondContact ND1-O 3.36Å; H141-Y162 PolarHBondContact NE2-OH 2.84Å; H141-I241 HydrophobicContact CB-CB 4.18Å; H141-I241 WeakPolarHBondContact CB-O 3.45Å |
| 142 | L | 96.9 | Very high | 97.4 | Very high | 118 Ų | 118 | 58.4 Ų | 58.4 | 62% | 0.618 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73.9 | -38.4 | -172.7 | -64.3 | -177.4 | 0 | 0 | 0 | 113.9 | R139 I241 | R139-L142 PolarHBondContact NH1-O 2.91Å; L142-I241 PolarHBondContact N-O 3.06Å |
| 143 | G | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -69.8 | 125.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R139 H141 I241 Y243 | R139-G143 PolarHBondContact NH1-O 3.01Å; H141-G143 PolarHBondContact CE1-O 3.33Å; H141-G143 PolarHBondContact ND1-O 3.36Å; G143-I241 PolarHBondContact N-O 2.77Å; G143-Y243 CarbonylContact C-O 3.58Å; G143-Y243 WeakPolarHBondContact CA-O 3.42Å |
| 144 | R | 98.3 | Very high | 97.2 | Very high | 142 Ų | 142 | 56.3 Ų | 56.3 | 54% | 0.536 | 30% | 0.295 | S | S | . | . | trans | -70.3 | 152.1 | -175.4 | -64.4 | -177.6 | -66.2 | -178.1 | 1.7 | 111.5 | D244 L245 | R144-D244 VanDerWaalsContact CB-OD1 3.25Å; R144-D244 WeakPolarHBondContact CB-OD1 3.34Å; R144-D244 WeakPolarHBondContact CG-OD1 3.43Å; R144-D244 IonicContact CZ-OD2 3.27Å; R144-D244 PolarHBondContact N-OD1 3.34Å; R144-D244 IonicContact NE-OD1 3.34Å; R144-D244 IonicContact NE-OD2 2.72Å; R144-D244 PolarHBondContact NE-OD2 3.07Å; R144-D244 IonicContact NH2-OD2 2.67Å; R144-D244 PolarHBondContact NH2-OD2 3.49Å; R144-D244 CarbonylContact O-C 3.45Å; R144-D244 WeakPolarHBondContact O-CA 3.49Å; R144-L245 PolarHBondContact O-N 2.67Å | ||
| 145 | I | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 111.8 | 174.7 | -56.8 | 175.3 | 0 | 0 | 0 | 108.2 | E132 L135 N136 Y162 L245 I247 I318 | E132-I145 WeakPolarHBondContact CG-O 3.38Å; L135-I145 HydrophobicContact CB-CB 4.5Å; L135-I145 HydrophobicContact CB-CG2 4.43Å; L135-I145 HydrophobicContact CD1-CG2 3.87Å; N136-I145 PolarHBondContact ND2-O 2.81Å; N136-I145 PolarHBondContact OD1-N 2.98Å; I145-Y162 HydrophobicContact CD1-CE2 3.69Å; I145-Y162 WeakPolarHBondContact CD1-OH 3.18Å; I145-L245 CarbonylContact C-O 3.57Å; I145-L245 WeakPolarHBondContact CA-O 3.16Å; I145-I247 HydrophobicContact CG2-CD1 3.88Å; I145-I247 HydrophobicContact CG2-CG1 4.17Å; I145-I318 HydrophobicContact CD1-CB 4.41Å; I145-I318 HydrophobicContact CD1-CD1 4.34Å; I145-I318 HydrophobicContact CG1-CD1 4.08Å; I145-I318 HydrophobicContact CG2-CD1 3.87Å |
| 146 | T | 98.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.172 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 156.8 | 172.4 | 61 | 0 | 0 | 0 | 0 | 110.9 | E132 L245 C246 I247 L261 | E132-T146 WeakPolarHBondContact OE2-CA 3.31Å; T146-L245 PolarHBondContact N-O 3.46Å; T146-L245 PolarHBondContact OG1-O 3.42Å; T146-C246 CarbonylContact O-C 3.57Å; T146-C246 WeakPolarHBondContact O-CA 3.28Å; T146-C246 WeakPolarHBondContact OG1-CA 3.34Å; T146-C246 WeakPolarHBondContact OG1-CB 3.35Å; T146-C246 PolarHBondContact OG1-SG 2.82Å; T146-C246 VanDerWaalsContact OG1-SG 3.36Å; T146-I247 PolarHBondContact O-N 3.02Å; T146-L261 HydrophobicContact CG2-CD1 4.16Å |
| 147 | V | 98.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.7 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 111 | L128 W131 E132 L135 I247 W256 | L128-V147 HydrophobicContact CB-CG1 4.21Å; L128-V147 HydrophobicContact CD2-CG1 3.85Å; L128-V147 HydrophobicContact CG-CG1 4.48Å; W131-V147 HydrophobicContact CD2-CG2 4.42Å; W131-V147 HydrophobicContact CE3-CB 4.36Å; W131-V147 HydrophobicContact CE3-CG1 3.61Å; W131-V147 HydrophobicContact CE3-CG2 3.93Å; W131-V147 HydrophobicContact CZ3-CG1 3.55Å; W131-V147 HydrophobicContact CZ3-CG2 4.1Å; E132-V147 HydrophobicContact CB-CB 4.25Å; E132-V147 HydrophobicContact CB-CG2 3.96Å; E132-V147 HydrophobicContact CG-CG2 4.4Å; E132-V147 PolarHBondContact OE2-N 3.49Å; L135-V147 HydrophobicContact CD1-CG2 3.78Å; V147-I247 WeakPolarHBondContact CA-O 3.43Å; V147-I247 HydrophobicContact CG2-CB 4.46Å; V147-W256 HydrophobicContact CG1-CH2 4.36Å; V147-W256 HydrophobicContact CG1-CZ3 4.2Å |
| 148 | E | 97.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.8 | -178.9 | -67.2 | -173.3 | -169.4 | 0 | 0 | 112.9 | I247 F248 R249 R259 | E148-I247 PolarHBondContact N-O 3.5Å; E148-F248 CarbonylContact O-C 2.99Å; E148-F248 VanDerWaalsContact O-CA 3.22Å; E148-F248 WeakPolarHBondContact O-CA 3.45Å; E148-R249 PolarHBondContact O-N 2.82Å; E148-R259 IonicContact OE1-NH2 2.77Å; E148-R259 IonicContact OE2-CZ 3.7Å; E148-R259 IonicContact OE2-NH2 3.98Å; E148-R259 PolarHBondContact OE2-NH2 2.78Å |
| 149 | N | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | trans | -132.2 | 111.9 | 167 | -172.6 | -19 | 0 | 0 | 0 | 110.3 | K121 Q124 L128 V151 D152 D154 R249 W256 | K121-N149 PolarHBondContact NZ-O 2.85Å; Q124-N149 VanDerWaalsContact NE2-CG 3.28Å; Q124-N149 PolarHBondContact NE2-ND2 3.22Å; L128-N149 HydrophobicContact CD1-CB 3.6Å; N149-V151 PolarHBondContact OD1-N 3.19Å; N149-D152 PolarHBondContact ND2-OD1 2.88Å; N149-D152 PolarHBondContact OD1-N 3.12Å; N149-D152 VanDerWaalsContact OD1-N 3.1Å; N149-D152 PolarHBondContact OD1-O 3.36Å; N149-D152 PolarHBondContact OD1-OD1 3.28Å; N149-D154 PolarHBondContact ND2-O 2.77Å; N149-R249 HydrophobicContact CB-CB 3.94Å; N149-R249 VanDerWaalsContact CG-CB 3.41Å; N149-R249 WeakPolarHBondContact OD1-CB 3.48Å; N149-W256 HydrophobicContact CB-CH2 3.74Å; N149-W256 HydrophobicContact CB-CZ3 4.08Å | ||
| 150 | E | 95.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | trans | -120 | 6.7 | -179.5 | -68.3 | -53.8 | 173.4 | 0 | 0 | 112.7 | R95 R125 | R95-E150 IonicContact CZ-OE2 3.83Å; R95-E150 IonicContact NH1-OE1 3.67Å; R95-E150 IonicContact NH1-OE2 2.95Å; R95-E150 PolarHBondContact NH1-OE2 2.61Å; R125-E150 IonicContact CZ-OE1 3.17Å; R125-E150 IonicContact CZ-OE2 2.98Å; R125-E150 IonicContact NH1-OE1 2.8Å; R125-E150 PolarHBondContact NH1-OE1 3.01Å; R125-E150 IonicContact NH2-OE1 3.74Å; R125-E150 PolarHBondContact NH2-OE1 3.01Å; R125-E150 IonicContact NH2-OE2 2.68Å; R125-E150 PolarHBondContact NH2-OE2 3.3Å | ||
| 151 | V | 94.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 32% | 0.315 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -102.6 | -49.8 | -173.4 | 177.6 | 0 | 0 | 0 | 0 | 111 | N149 R249 D251 | N149-V151 PolarHBondContact OD1-N 3.19Å; V151-R249 HydrophobicContact CB-CB 4.31Å; V151-R249 HydrophobicContact CB-CG 3.91Å; V151-R249 HydrophobicContact CG2-CB 4.26Å; V151-R249 HydrophobicContact CG2-CG 4.27Å; V151-R249 VanDerWaalsContact CG2-O 3.32Å; V151-R249 WeakPolarHBondContact CG2-O 3.45Å; V151-D251 HydrophobicContact CG1-CB 4.2Å; V151-D251 HydrophobicContact CG2-CB 3.95Å |
| 152 | D | 95 | Very high | 95.9 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -139.9 | -164.2 | -173.7 | 65.2 | 28.2 | 0 | 0 | 0 | 111.8 | K121 Q124 N149 D154 R249 | K121-D152 PolarHBondContact NZ-O 2.97Å; Q124-D152 PolarHBondContact NE2-O 3.09Å; Q124-D152 PolarHBondContact OE1-O 3.38Å; N149-D152 PolarHBondContact ND2-OD1 2.88Å; N149-D152 PolarHBondContact OD1-N 3.12Å; N149-D152 VanDerWaalsContact OD1-N 3.1Å; N149-D152 PolarHBondContact OD1-O 3.36Å; N149-D152 PolarHBondContact OD1-OD1 3.28Å; D152-D154 WeakPolarHBondContact OD1-CB 3.46Å; D152-D154 PolarHBondContact OD1-N 3.38Å; D152-R249 IonicContact OD1-NE 2.67Å; D152-R249 IonicContact OD2-CZ 2.71Å; D152-R249 VanDerWaalsContact OD2-CZ 3.24Å; D152-R249 IonicContact OD2-NE 2.81Å; D152-R249 PolarHBondContact OD2-NE 3.05Å; D152-R249 IonicContact OD2-NH2 3.13Å; D152-R249 PolarHBondContact OD2-NH2 3.31Å |
| 153 | L | 97 | Very high | 96 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | trans | -102.7 | 9.7 | -178.9 | -66.8 | 178.5 | 0 | 0 | 0 | 113.5 | Y117 Q120 K121 Q124 G155 | Y117-L153 HydrophobicContact CD2-CD1 3.99Å; Y117-L153 HydrophobicContact CD2-CD2 4.36Å; Y117-L153 HydrophobicContact CD2-CG 4.39Å; Y117-L153 HydrophobicContact CE2-CD1 4.14Å; Y117-L153 HydrophobicContact CE2-CD2 3.96Å; Y117-L153 HydrophobicContact CE2-CG 4.05Å; Q120-L153 HydrophobicContact CB-CD1 3.88Å; Q120-L153 HydrophobicContact CB-CD2 4.2Å; K121-L153 HydrophobicContact CB-CD2 3.94Å; K121-L153 HydrophobicContact CD-CD2 3.74Å; K121-L153 HydrophobicContact CG-CD2 4.49Å; Q124-L153 VanDerWaalsContact NE2-CA 3.34Å; L153-G155 PolarHBondContact O-N 3.1Å | ||
| 154 | D | 96.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | trans | -66.3 | 128.7 | 179.7 | -86.4 | 9 | 0 | 0 | 0 | 111.3 | Q124 N149 D152 R249 | Q124-D154 PolarHBondContact NE2-O 3.43Å; N149-D154 PolarHBondContact ND2-O 2.77Å; D152-D154 WeakPolarHBondContact OD1-CB 3.46Å; D152-D154 PolarHBondContact OD1-N 3.38Å; D154-R249 IonicContact OD2-CZ 3.87Å; D154-R249 IonicContact OD2-NH1 3.72Å; D154-R249 PolarHBondContact OD2-NH1 2.86Å; D154-R249 IonicContact OD2-NH2 3.84Å; D154-R249 PolarHBondContact OD2-NH2 2.86Å | ||
| 155 | G | 96.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | -91.6 | -168.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L153 W256 | L153-G155 PolarHBondContact O-N 3.1Å; G155-W256 WeakPolarHBondContact O-CZ2 3.23Å | ||
| 156 | P | 96.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 25% | 0.253 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -52.7 | 144.8 | 172.5 | -25.6 | 35.1 | 0 | 0 | 0 | 112.4 | A127 L128 W131 R158 | A127-P156 HydrophobicContact CB-CG 4.16Å; L128-P156 HydrophobicContact CD2-CG 4.12Å; W131-P156 HydrophobicContact CB-CB 3.85Å; W131-P156 HydrophobicContact CB-CG 3.57Å; W131-P156 HydrophobicContact CD2-CB 3.78Å; W131-P156 HydrophobicContact CD2-CG 4.23Å; W131-P156 HydrophobicContact CE3-CB 3.9Å; W131-P156 HydrophobicContact CE3-CG 4.14Å; W131-P156 HydrophobicContact CG-CB 3.74Å; W131-P156 HydrophobicContact CG-CG 4.01Å; P156-R158 PolarHBondContact O-N 2.87Å |
| 157 | P | 93.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | trans | -58.7 | 135.2 | 173.2 | 25.3 | -33.3 | 0 | 0 | 0 | 110.4 | W131 F160 F321 | W131-P157 VanDerWaalsContact CH2-CD 3.46Å; W131-P157 HydrophobicContact CH2-CG 3.99Å; W131-P157 VanDerWaalsContact CZ2-CD 3.46Å; W131-P157 HydrophobicContact CZ2-CG 3.65Å; P157-F160 HydrophobicContact CB-CB 4.04Å; P157-F160 HydrophobicContact CG-CB 3.83Å; P157-F160 HydrophobicContact CG-CD1 4.37Å; P157-F160 HydrophobicContact CG-CG 4.32Å; P157-F321 HydrophobicContact CG-CE1 4.24Å; P157-F321 HydrophobicContact CG-CZ 4.12Å | ||
| 158 | R | 86.8 | Confident | 95.3 | Very high | 257 Ų | 257 | 61.4 Ų | 61.4 | 97% | 0.97 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26 | -173.1 | -66.5 | -176.9 | -178.4 | 179.8 | 1.9 | 113.9 | P156 | P156-R158 PolarHBondContact O-N 2.87Š|
| 159 | A | 89 | Confident | 95 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 49% | 0.488 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 60.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y314 | A159-Y314 HydrophobicContact CB-CD2 4.07Å; A159-Y314 HydrophobicContact CB-CE2 4.06Å |
| 160 | F | 94.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 11% | 0.114 | 34% | 0.343 | C | S | . | . | trans | -137.3 | 131.7 | 178.8 | 174.8 | -100 | 0 | 0 | 0 | 110.6 | L135 P157 Y162 Y314 G316 H320 F321 | L135-F160 HydrophobicContact CD2-CE1 4.32Å; P157-F160 HydrophobicContact CB-CB 4.04Å; P157-F160 HydrophobicContact CG-CB 3.83Å; P157-F160 HydrophobicContact CG-CD1 4.37Å; P157-F160 HydrophobicContact CG-CG 4.32Å; F160-Y162 HydrophobicContact CE1-CD2 4.15Å; F160-Y162 HydrophobicContact CZ-CD2 4.25Å; F160-Y314 CarbonylContact C-O 3.54Å; F160-Y314 WeakPolarHBondContact CA-O 3.32Å; F160-G316 WeakPolarHBondContact CZ-O 3.43Å; F160-H320 AromaticContact CD2-CE1 3.99Å; F160-H320 AromaticContact CD2-ND1 3.95Å; F160-H320 HydrophobicContact CE2-CB 3.81Å; F160-H320 AromaticContact CE2-CG 3.63Å; F160-H320 AromaticContact CE2-ND1 3.85Å; F160-H320 HydrophobicContact CZ-CB 4.35Å; F160-F321 HydrophobicContact CD1-CE2 4.47Å; F160-F321 HydrophobicContact CD1-CZ 4.13Å; F160-F321 AromaticContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CZ 4.01Å; F160-F321 HydrophobicContact CE2-CE2 4.32Å; F160-F321 HydrophobicContact CE2-CZ 4.41Å; F160-F321 HydrophobicContact CG-CZ 4.38Å; F160-F321 AromaticContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CZ 4.16Å | ||
| 161 | V | 96.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 114.5 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | I163 Y314 Y315 G316 | V161-I163 PolarHBondContact O-N 2.82Å; V161-Y314 HydrophobicContact CB-CE1 4.35Å; V161-Y314 HydrophobicContact CG2-CD1 4.1Å; V161-Y314 HydrophobicContact CG2-CE1 3.5Å; V161-Y314 PolarHBondContact N-O 2.83Å; V161-Y315 HydrophobicContact CB-CD1 3.79Å; V161-Y315 HydrophobicContact CB-CE1 3.98Å; V161-Y315 HydrophobicContact CG1-CD1 3.97Å; V161-Y315 HydrophobicContact CG1-CE1 4.07Å; V161-Y315 HydrophobicContact CG2-CD1 4.49Å; V161-Y315 HydrophobicContact CG2-CE1 4.23Å; V161-Y315 WeakPolarHBondContact O-CA 3.46Å; V161-G316 PolarHBondContact O-N 2.74Å; V161-G316 VanDerWaalsContact O-N 3.14Å |
| 162 | Y | 97.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 67 Ų | 67 | 4% | 0.043 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 125.9 | 176.2 | -163.3 | -88 | 0 | 0 | 0 | 111.6 | L135 K138 R139 H141 I145 F160 G316 N317 I318 | L135-Y162 HydrophobicContact CD2-CD2 3.48Å; L135-Y162 VanDerWaalsContact CD2-CD2 3.48Å; L135-Y162 HydrophobicContact CD2-CE2 4.27Å; L135-Y162 HydrophobicContact CD2-CG 3.92Å; K138-Y162 HydrophobicContact CB-CD1 4.11Å; R139-Y162 HydrophobicContact CB-CE1 4.11Å; H141-Y162 PolarHBondContact NE2-OH 2.84Å; I145-Y162 HydrophobicContact CD1-CE2 3.69Å; I145-Y162 WeakPolarHBondContact CD1-OH 3.18Å; F160-Y162 HydrophobicContact CE1-CD2 4.15Å; F160-Y162 HydrophobicContact CZ-CD2 4.25Å; Y162-G316 CarbonylContact C-O 3.45Å; Y162-G316 VanDerWaalsContact CA-O 3.23Å; Y162-G316 WeakPolarHBondContact CA-O 3.37Å; Y162-N317 HydrophobicContact CE2-CB 4.12Å; Y162-I318 HydrophobicContact CE2-CB 4.37Å |
| 163 | I | 97.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | trans | -127.4 | 156 | 174.2 | 56 | 167 | 0 | 0 | 0 | 110.2 | V161 E165 R167 V274 Y315 G316 N317 | V161-I163 PolarHBondContact O-N 2.82Å; I163-E165 WeakPolarHBondContact CD1-O 3.37Å; I163-R167 HydrophobicContact CD1-CB 4.37Å; I163-V274 HydrophobicContact CD1-CG1 3.71Å; I163-V274 HydrophobicContact CG1-CG1 3.91Å; I163-Y315 HydrophobicContact CG2-CD1 4.16Å; I163-G316 PolarHBondContact N-O 3.19Å; I163-N317 VanDerWaalsContact O-CB 3.25Å; I163-N317 WeakPolarHBondContact O-CB 3.27Å | ||
| 164 | N | 97.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -103.9 | -22 | -177.7 | -63.1 | -74.6 | 0 | 0 | 0 | 113.6 | K138 R139 S140 | K138-N164 PolarHBondContact O-ND2 3.39Å; R139-N164 VanDerWaalsContact CA-OD1 3.31Å; R139-N164 WeakPolarHBondContact CA-OD1 3.4Å; S140-N164 PolarHBondContact N-OD1 2.92Å; S140-N164 WeakPolarHBondContact OG-CB 3.2Å; S140-N164 VanDerWaalsContact OG-CG 3.28Å; S140-N164 PolarHBondContact OG-OD1 2.7Å |
| 165 | E | 95.4 | Very high | 93.1 | Very high | 143 Ų | 143 | 70.9 Ų | 70.9 | 67% | 0.668 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -138.7 | 163.1 | -176.2 | -63.9 | 179.5 | 178.9 | 0 | 0 | 108 | I163 R167 V274 | I163-E165 WeakPolarHBondContact CD1-O 3.37Å; E165-R167 PolarHBondContact O-N 3.49Å; E165-V274 VanDerWaalsContact O-CG1 3.29Å; E165-V274 WeakPolarHBondContact O-CG1 3.36Å |
| 166 | Y | 95.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 76.3 Ų | 76.3 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | trans | -55.2 | 138.4 | 179.5 | -71.4 | -46.4 | 0 | 0 | 0 | 112.4 | Y273 V274 I277 V310 R346 I347 | Y166-Y273 VanDerWaalsContact CE1-O 3.24Å; Y166-Y273 WeakPolarHBondContact CE1-O 3.28Å; Y166-Y273 PolarHBondContact OH-O 3.09Å; Y166-Y273 VanDerWaalsContact OH-O 3.09Å; Y166-V274 HydrophobicContact CD1-CG1 4.14Å; Y166-I277 HydrophobicContact CD1-CD1 4.34Å; Y166-I277 HydrophobicContact CD1-CG1 4.04Å; Y166-I277 HydrophobicContact CD2-CD1 3.69Å; Y166-I277 HydrophobicContact CD2-CG1 4.29Å; Y166-I277 HydrophobicContact CE2-CD1 4.39Å; Y166-I277 HydrophobicContact CG-CD1 3.69Å; Y166-I277 HydrophobicContact CG-CG1 3.85Å; Y166-V310 HydrophobicContact CD1-CG1 4.33Å; Y166-V310 HydrophobicContact CD1-CG2 4.35Å; Y166-V310 HydrophobicContact CE1-CB 4.46Å; Y166-V310 HydrophobicContact CE1-CG1 3.88Å; Y166-V310 HydrophobicContact CE1-CG2 3.66Å; Y166-R346 HydrophobicContact CE2-CB 4.4Å; Y166-R346 HydrophobicContact CE2-CG 4.02Å; Y166-I347 PolarHBondContact OH-N 3.33Å | ||
| 167 | R | 95.7 | Very high | 92.6 | Very high | 109 Ų | 109 | 75 Ų | 75 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.7 | 163.6 | -175.3 | -178.3 | -176.9 | -167.2 | -0.7 | 108.2 | I163 E165 G169 G275 E276 I277 Y315 | I163-R167 HydrophobicContact CD1-CB 4.37Å; E165-R167 PolarHBondContact O-N 3.49Å; R167-G169 PolarHBondContact O-N 2.85Å; R167-G275 PolarHBondContact N-O 3.02Å; R167-E276 HydrophobicContact CB-CB 4.48Å; R167-E276 IonicContact NH1-OE1 2.69Å; R167-E276 CarbonylContact O-C 3.59Å; R167-E276 VanDerWaalsContact O-CA 3.23Å; R167-E276 WeakPolarHBondContact O-CA 3.39Å; R167-I277 PolarHBondContact O-N 3.05Å; R167-Y315 PolarHBondContact NH1-OH 3.48Å |
| 168 | V | 93.7 | Very high | 92.5 | Very high | 53 Ų | 53 | 77.4 Ų | 77.4 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.9 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | I172 L174 | V168-I172 HydrophobicContact CG1-CB 3.58Å; V168-I172 HydrophobicContact CG1-CG2 3.76Å; V168-I172 WeakPolarHBondContact CG1-O 3.2Å; V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.87Å |
| 169 | G | 92 | Very high | 92.7 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 173.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R167 G171 I172 I277 | R167-G169 PolarHBondContact O-N 2.85Å; G169-G171 PolarHBondContact O-N 3.45Å; G169-I172 PolarHBondContact O-N 3.1Å; G169-I277 WeakPolarHBondContact CA-O 3.19Å; G169-I277 PolarHBondContact N-O 3.46Å |
| 170 | E | 89.6 | Confident | 93 | Very high | 197 Ų | 197 | 68.7 Ų | 68.7 | 92% | 0.921 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 135.2 | -177.6 | -170.5 | 171.6 | -176.2 | 0 | 0 | 111.9 | I172 | E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.08Å |
| 171 | G | 89.2 | Confident | 93.1 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 81% | 0.814 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -5.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G169 | G169-G171 PolarHBondContact O-N 3.45Š|
| 172 | I | 91.2 | Very high | 93 | Very high | 16 Ų | 16 | 73.9 Ų | 73.9 | 8% | 0.082 | 41% | 0.413 | C | S | . | . | trans | -94.4 | 136.7 | -180 | -53.9 | 177.5 | 0 | 0 | 0 | 109.5 | V168 G169 E170 I277 Y308 L344 | V168-I172 HydrophobicContact CG1-CB 3.58Å; V168-I172 HydrophobicContact CG1-CG2 3.76Å; V168-I172 WeakPolarHBondContact CG1-O 3.2Å; G169-I172 PolarHBondContact O-N 3.1Å; E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.08Å; I172-I277 HydrophobicContact CD1-CB 4.46Å; I172-I277 HydrophobicContact CD1-CG2 3.85Å; I172-I277 WeakPolarHBondContact CD1-O 3.22Å; I172-I277 HydrophobicContact CG2-CG2 4.44Å; I172-Y308 HydrophobicContact CD1-CD1 3.7Å; I172-Y308 HydrophobicContact CD1-CE1 3.75Å; I172-Y308 HydrophobicContact CG1-CD1 4.27Å; I172-Y308 HydrophobicContact CG1-CE1 3.78Å; I172-Y308 HydrophobicContact CG2-CE1 4.05Å; I172-L344 HydrophobicContact CG2-CD1 4.1Å; I172-L344 HydrophobicContact CG2-CD2 4.43Å | ||
| 173 | T | 89.1 | Confident | 92.9 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | trans | -124.9 | 127.9 | 179 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 174 | L | 88.2 | Confident | 92.6 | Very high | 71 Ų | 71 | 80.9 Ų | 80.9 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | trans | -91.5 | 115.1 | 170.4 | -66.6 | 174.4 | 0 | 0 | 0 | 109.4 | V168 L344 | V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.87Å; L174-L344 HydrophobicContact CD2-CB 4.09Å; L174-L344 HydrophobicContact CD2-CD1 3.74Å; L174-L344 HydrophobicContact CD2-CG 4.4Å | ||
| 175 | N | 89.2 | Confident | 92.4 | Very high | 98 Ų | 98 | 81.5 Ų | 81.5 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -85 | 122.2 | 179.5 | -69.7 | -41.2 | 0 | 0 | 0 | 110.2 | N339 | N175-N339 WeakPolarHBondContact O-CA 3.47Å; N175-N339 PolarHBondContact O-OD1 3.23Å |
| 176 | Q | 90.5 | Very high | 92.4 | Very high | 142 Ų | 142 | 74.8 Ų | 74.8 | 66% | 0.664 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 137.9 | 174.2 | -70.8 | -170.1 | -9.6 | 0 | 0 | 111.1 | D338 | Q176-D338 CarbonylContact C-O 3.54Å; Q176-D338 VanDerWaalsContact CA-O 3.31Å; Q176-D338 WeakPolarHBondContact CA-O 3.45Å |
| 177 | V | 91.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.067 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 135.5 | 174.5 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | V179 N223 R225 D338 L340 | V177-V179 VanDerWaalsContact CG2-O 3.3Å; V177-V179 WeakPolarHBondContact CG2-O 3.5Å; V177-N223 HydrophobicContact CG1-CB 3.73Å; V177-N223 VanDerWaalsContact CG1-ND2 3.27Å; V177-N223 WeakPolarHBondContact CG1-ND2 3.3Å; V177-R225 HydrophobicContact CG1-CG 4.31Å; V177-R225 WeakPolarHBondContact O-CG 3.39Å; V177-D338 PolarHBondContact N-O 3.32Å; V177-L340 HydrophobicContact CB-CD1 4.37Å; V177-L340 HydrophobicContact CB-CG 4.15Å; V177-L340 HydrophobicContact CG2-CD1 3.5Å; V177-L340 VanDerWaalsContact CG2-CD1 3.5Å; V177-L340 HydrophobicContact CG2-CG 3.82Å |
| 178 | A | 90.3 | Very high | 92.2 | Very high | 91 Ų | 91 | 78.1 Ų | 78.1 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -81.9 | -26.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 179 | V | 92.3 | Very high | 92.1 | Very high | 106 Ų | 106 | 78.6 Ų | 78.6 | 64% | 0.642 | 44% | 0.442 | S | S | * | . | trans | -128.7 | 150.3 | -170.8 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | V177 N223 | V177-V179 VanDerWaalsContact CG2-O 3.3Å; V177-V179 WeakPolarHBondContact CG2-O 3.5Å; V179-N223 PolarHBondContact O-ND2 3.14Å | ||
| 180 | G | 94.9 | Very high | 92 | Very high | 27 Ų | 27 | 80 Ų | 80 | 28% | 0.278 | 45% | 0.449 | S | S | . | . | trans | -134.3 | 168.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C226 | G180-C226 WeakPolarHBondContact CA-SG 3.33Š| ||
| 181 | C | 95.8 | Very high | 92 | Very high | 14 Ų | 14 | 75.5 Ų | 75.5 | 10% | 0.095 | 44% | 0.435 | C | S | . | . | trans | -72.7 | 153.2 | 177.2 | 74.1 | 0 | 0 | 0 | 0 | 112 | C194 C226 R227 | C181-C194 PolarHBondContact SG-SG 3.29Å; C181-C226 PolarHBondContact N-SG 3.4Å; C181-C226 WeakPolarHBondContact O-CA 3.39Å; C181-R227 PolarHBondContact O-N 3.25Å | ||
| 182 | E | 95.3 | Very high | 91.9 | Very high | 161 Ų | 161 | 75 Ų | 75 | 75% | 0.752 | 43% | 0.43 | S | S | * | . | trans | -102.4 | 12.5 | 175.3 | -60.2 | -175.7 | 171.5 | 0 | 0 | 112.8 | ||||
| 183 | C | 94.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.02 | 44% | 0.44 | C | S | . | . | trans | -59.4 | 139.3 | -174.9 | -55 | 0 | 0 | 0 | 0 | 111.9 | C186 | C183-C186 HydrophobicContact CB-CB 4.5Å; C183-C186 VanDerWaalsContact CB-SG 3.57Å | ||
| 184 | Q | 91.9 | Very high | 92.2 | Very high | 184 Ų | 184 | 71.5 Ų | 71.5 | 86% | 0.86 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -81.4 | -36.7 | 164.8 | -67.7 | -177.4 | -3.3 | 0 | 0 | 111.2 | ||
| 185 | D | 94 | Very high | 92.6 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 32% | 0.316 | 40% | 0.401 | S | S | . | . | trans | -133.4 | 104.4 | 175.3 | -173.3 | -28.3 | 0 | 0 | 0 | 109.3 | L187 W188 A189 | D185-L187 PolarHBondContact O-N 2.74Å; D185-L187 PolarHBondContact OD1-N 2.93Å; D185-W188 PolarHBondContact OD1-N 2.86Å; D185-W188 VanDerWaalsContact OD2-CD1 3.27Å; D185-A189 HydrophobicContact CB-CB 4.32Å; D185-A189 CarbonylContact O-C 3.6Å; D185-A189 WeakPolarHBondContact O-CA 3.34Å; D185-A189 PolarHBondContact O-N 2.78Å; D185-A189 VanDerWaalsContact O-O 3.06Å | ||
| 186 | C | 96 | Very high | 92.8 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.4 | -177.4 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | C183 P190 C194 F203 C228 N234 | C183-C186 HydrophobicContact CB-CB 4.5Å; C183-C186 VanDerWaalsContact CB-SG 3.57Å; C186-P190 WeakPolarHBondContact O-CB 3.39Å; C186-C194 PolarHBondContact SG-SG 3Å; C186-F203 HydrophobicContact CB-CE2 4.33Å; C186-F203 WeakPolarHBondContact O-CE2 3.09Å; C186-C228 VanDerWaalsContact SG-CB 3.59Å; C186-C228 VanDerWaalsContact SG-SG 3.67Å; C186-N234 HydrophobicContact CB-CB 4.49Å |
| 187 | L | 93.7 | Very high | 92.9 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -50.6 | -175.3 | 180 | 62.4 | 0 | 0 | 0 | 111.3 | D185 F203 D207 P233 | D185-L187 PolarHBondContact O-N 2.74Å; D185-L187 PolarHBondContact OD1-N 2.93Å; L187-F203 HydrophobicContact CB-CZ 4.49Å; L187-F203 HydrophobicContact CD1-CD1 4.07Å; L187-F203 HydrophobicContact CD1-CE1 3.64Å; L187-F203 HydrophobicContact CD1-CZ 4.02Å; L187-D207 HydrophobicContact CD2-CB 3.83Å; L187-P233 HydrophobicContact CB-CB 4.09Å; L187-P233 HydrophobicContact CB-CG 3.95Å; L187-P233 HydrophobicContact CD2-CB 4.07Å; L187-P233 HydrophobicContact CD2-CG 4.11Å |
| 188 | W | 92.8 | Very high | 92.9 | Very high | 188 Ų | 188 | 61.9 Ų | 61.9 | 71% | 0.712 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -22.9 | -173.2 | -55.2 | 112.6 | 0 | 0 | 0 | 113.4 | D185 D207 | D185-W188 PolarHBondContact OD1-N 2.86Å; D185-W188 VanDerWaalsContact OD2-CD1 3.27Å; W188-D207 HydrophobicContact CZ2-CB 3.96Å |
| 189 | A | 91.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -136.7 | 55.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D185 T191 | D185-A189 HydrophobicContact CB-CB 4.32Å; D185-A189 CarbonylContact O-C 3.6Å; D185-A189 WeakPolarHBondContact O-CA 3.34Å; D185-A189 PolarHBondContact O-N 2.78Å; D185-A189 VanDerWaalsContact O-O 3.06Å; A189-T191 PolarHBondContact O-N 3.28Å |
| 190 | P | 91.2 | Very high | 92.8 | Very high | 44 Ų | 44 | 62 Ų | 62 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | trans | -69.8 | 101.2 | -177.4 | 27.7 | -33.2 | 0 | 0 | 0 | 111.4 | C186 G192 G193 C194 | C186-P190 WeakPolarHBondContact O-CB 3.39Å; P190-G192 PolarHBondContact O-N 3.21Å; P190-G193 PolarHBondContact O-N 3Å; P190-C194 HydrophobicContact CB-CB 3.84Å | ||
| 191 | T | 88 | Confident | 92.7 | Very high | 102 Ų | 102 | 63.5 Ų | 63.5 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -49.7 | 117.3 | 169.8 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | A189 G193 C194 | A189-T191 PolarHBondContact O-N 3.28Å; T191-G193 PolarHBondContact O-N 3.26Å; T191-G193 VanDerWaalsContact O-N 3.16Å; T191-C194 PolarHBondContact O-N 2.83Å |
| 192 | G | 88.2 | Confident | 92.5 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 71% | 0.711 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | 60.2 | 21.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P190 G197 | P190-G192 PolarHBondContact O-N 3.21Å; G192-G197 WeakPolarHBondContact O-CA 3.32Å |
| 193 | G | 91.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | 80.4 | 12.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P190 T191 G197 | P190-G193 PolarHBondContact O-N 3Å; T191-G193 PolarHBondContact O-N 3.26Å; T191-G193 VanDerWaalsContact O-N 3.16Å; G193-G197 PolarHBondContact O-N 2.88Å |
| 194 | C | 95.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.034 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | 61.3 | -156.7 | -178.4 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | C181 C186 P190 T191 P196 G197 A198 C222 | C181-C194 PolarHBondContact SG-SG 3.29Å; C186-C194 PolarHBondContact SG-SG 3Å; P190-C194 HydrophobicContact CB-CB 3.84Å; T191-C194 PolarHBondContact O-N 2.83Å; C194-P196 VanDerWaalsContact C-CD 3.49Å; C194-G197 PolarHBondContact O-N 3.45Å; C194-A198 PolarHBondContact O-N 3.47Å; C194-C222 PolarHBondContact SG-SG 2.66Å |
| 195 | C | 95.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 177.2 | -61.1 | 0 | 0 | 0 | 0 | 113.5 | G197 A198 S199 C226 | C195-G197 VanDerWaalsContact C-N 3.34Å; C195-G197 PolarHBondContact O-N 3.45Å; C195-A198 PolarHBondContact O-N 3.27Å; C195-S199 PolarHBondContact O-N 3.18Å; C195-C226 PolarHBondContact SG-SG 2.94Å |
| 196 | P | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 173.1 | -22.1 | 30.2 | 0 | 0 | 0 | 112.5 | C194 A198 S199 L200 H201 F203 Y220 | C194-P196 VanDerWaalsContact C-CD 3.49Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 2.97Å; P196-S199 CarbonylContact O-C 3.57Å; P196-S199 WeakPolarHBondContact O-CA 3.38Å; P196-S199 PolarHBondContact O-N 2.75Å; P196-L200 PolarHBondContact O-N 2.96Å; P196-L200 VanDerWaalsContact O-N 3.17Å; P196-H201 CarbonylContact C-O 3.55Å; P196-H201 WeakPolarHBondContact CB-O 2.9Å; P196-H201 WeakPolarHBondContact O-CA 2.98Å; P196-H201 PolarHBondContact O-N 3Å; P196-F203 HydrophobicContact CG-CD2 4.25Å; P196-Y220 WeakPolarHBondContact CG-O 3.22Å |
| 197 | G | 92.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -34.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G192 G193 C194 C195 S199 L200 H201 | G192-G197 WeakPolarHBondContact O-CA 3.32Å; G193-G197 PolarHBondContact O-N 2.88Å; C194-G197 PolarHBondContact O-N 3.45Å; C195-G197 VanDerWaalsContact C-N 3.34Å; C195-G197 PolarHBondContact O-N 3.45Å; G197-S199 PolarHBondContact O-N 3.24Å; G197-L200 PolarHBondContact O-N 2.87Å; G197-H201 PolarHBondContact N-O 3.04Å |
| 198 | A | 90.8 | Very high | 92.9 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 70% | 0.702 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62 | -29.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C194 C195 P196 | C194-A198 PolarHBondContact O-N 3.47Å; C195-A198 PolarHBondContact O-N 3.27Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 2.97Å |
| 199 | S | 89.3 | Confident | 93.1 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 12.7 | 172.6 | -54 | 0 | 0 | 0 | 0 | 113.2 | C195 P196 G197 H201 Y220 | C195-S199 PolarHBondContact O-N 3.18Å; P196-S199 CarbonylContact O-C 3.57Å; P196-S199 WeakPolarHBondContact O-CA 3.38Å; P196-S199 PolarHBondContact O-N 2.75Å; G197-S199 PolarHBondContact O-N 3.24Å; S199-H201 PolarHBondContact O-CD2 3.46Å; S199-H201 PolarHBondContact O-N 3.22Å; S199-Y220 VanDerWaalsContact OG-CD1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CD1 3.26Å; S199-Y220 VanDerWaalsContact OG-CE1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CE1 3.48Å |
| 200 | L | 91.3 | Very high | 93.4 | Very high | 166 Ų | 166 | 54 Ų | 54 | 87% | 0.869 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 24.5 | -177.3 | -52.4 | 175.6 | 0 | 0 | 0 | 114.8 | P196 G197 | P196-L200 PolarHBondContact O-N 2.96Å; P196-L200 VanDerWaalsContact O-N 3.17Å; G197-L200 PolarHBondContact O-N 2.87Å |
| 201 | H | 91.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 52 Ų | 52 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | trans | -111 | 167 | 177.2 | -71.6 | -77.2 | 0 | 0 | 0 | 113 | P196 G197 S199 P218 Y220 | P196-H201 CarbonylContact C-O 3.55Å; P196-H201 WeakPolarHBondContact CB-O 2.9Å; P196-H201 WeakPolarHBondContact O-CA 2.98Å; P196-H201 PolarHBondContact O-N 3Å; G197-H201 PolarHBondContact N-O 3.04Å; S199-H201 PolarHBondContact O-CD2 3.46Å; S199-H201 PolarHBondContact O-N 3.22Å; H201-P218 WeakPolarHBondContact CE1-CG 3.34Å; H201-Y220 HydrophobicContact CB-CD2 4.06Å; H201-Y220 HydrophobicContact CB-CE2 4.46Å; H201-Y220 AromaticContact CD2-CD2 3.65Å; H201-Y220 AromaticContact CD2-CE2 3.17Å; H201-Y220 WeakPolarHBondContact CD2-CE2 3.42Å; H201-Y220 AromaticContact CG-CD2 3.99Å; H201-Y220 AromaticContact CG-CE2 3.9Å; H201-Y220 AromaticContact NE2-CE2 3.64Å | ||
| 202 | K | 92.1 | Very high | 94.1 | Very high | 166 Ų | 166 | 56.3 Ų | 56.3 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | trans | -88.2 | 150.9 | 179.2 | -66 | -179.2 | -176.7 | 175.2 | 0 | 111.2 | A204 L213 | K202-A204 PolarHBondContact O-N 2.83Å; K202-L213 HydrophobicContact CB-CD2 4.07Å | ||
| 203 | F | 94.7 | Very high | 94.4 | Very high | 43 Ų | 43 | 54 Ų | 54 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | trans | -59.6 | 128.5 | 171.7 | -161.6 | -81.7 | 0 | 0 | 0 | 111.1 | C186 L187 P196 Y205 P233 N234 | C186-F203 HydrophobicContact CB-CE2 4.33Å; C186-F203 WeakPolarHBondContact O-CE2 3.09Å; L187-F203 HydrophobicContact CB-CZ 4.49Å; L187-F203 HydrophobicContact CD1-CD1 4.07Å; L187-F203 HydrophobicContact CD1-CE1 3.64Å; L187-F203 HydrophobicContact CD1-CZ 4.02Å; P196-F203 HydrophobicContact CG-CD2 4.25Å; F203-Y205 VanDerWaalsContact CD1-O 3.23Å; F203-Y205 WeakPolarHBondContact CD1-O 3.39Å; F203-Y205 HydrophobicContact CE1-CD2 4.39Å; F203-Y205 WeakPolarHBondContact CE1-O 3.34Å; F203-P233 HydrophobicContact CZ-CB 4.42Å; F203-N234 HydrophobicContact CE2-CB 3.54Å; F203-N234 HydrophobicContact CZ-CB 3.52Å | ||
| 204 | A | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | trans | -82.9 | -28 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K202 V211 R212 L213 I219 | K202-A204 PolarHBondContact O-N 2.83Å; A204-V211 CarbonylContact O-C 3.6Å; A204-V211 WeakPolarHBondContact O-CA 3.46Å; A204-R212 PolarHBondContact O-N 2.74Å; A204-L213 HydrophobicContact CB-CD1 3.68Å; A204-L213 HydrophobicContact CB-CG 4.1Å; A204-I219 HydrophobicContact CB-CB 4.25Å; A204-I219 HydrophobicContact CB-CD1 4.36Å; A204-I219 HydrophobicContact CB-CG1 3.91Å; A204-I219 HydrophobicContact CB-CG2 3.64Å | ||
| 205 | Y | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -112.9 | 154.2 | -166.6 | -47.4 | -61.6 | 0 | 0 | 0 | 113.7 | F203 Q210 V211 I219 E221 P233 V236 F350 | F203-Y205 VanDerWaalsContact CD1-O 3.23Å; F203-Y205 WeakPolarHBondContact CD1-O 3.39Å; F203-Y205 HydrophobicContact CE1-CD2 4.39Å; F203-Y205 WeakPolarHBondContact CE1-O 3.34Å; Y205-Q210 CarbonylContact C-O 3.38Å; Y205-Q210 VanDerWaalsContact CA-O 3.32Å; Y205-Q210 WeakPolarHBondContact CA-O 3.46Å; Y205-V211 HydrophobicContact CD1-CB 4.44Å; Y205-I219 HydrophobicContact CE1-CD1 4.34Å; Y205-I219 HydrophobicContact CE1-CG2 4.43Å; Y205-I219 HydrophobicContact CE2-CG2 4.21Å; Y205-I219 WeakPolarHBondContact OH-CG2 3.31Å; Y205-E221 HydrophobicContact CE2-CG 4.14Å; Y205-E221 WeakPolarHBondContact CE2-OE1 3.4Å; Y205-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E221 PolarHBondContact OH-OE1 3.14Å; Y205-P233 WeakPolarHBondContact CD2-O 3.47Å; Y205-V236 HydrophobicContact CD1-CB 4.47Å; Y205-V236 HydrophobicContact CD1-CG2 4.03Å; Y205-V236 HydrophobicContact CD2-CB 4.34Å; Y205-V236 HydrophobicContact CD2-CG2 3.59Å; Y205-V236 HydrophobicContact CE1-CB 4.07Å; Y205-V236 HydrophobicContact CE1-CG1 4.38Å; Y205-V236 HydrophobicContact CE1-CG2 4.11Å; Y205-V236 HydrophobicContact CE2-CB 3.87Å; Y205-V236 HydrophobicContact CE2-CG2 3.63Å; Y205-V236 HydrophobicContact CG-CG2 3.76Å; Y205-F350 AromaticContact CE1-CE1 3.92Å; Y205-F350 HydrophobicContact CE1-CE1 3.92Å; Y205-F350 AromaticContact CE1-CZ 3.8Å; Y205-F350 HydrophobicContact CE1-CZ 3.8Å |
| 206 | N | 95.5 | Very high | 93.5 | Very high | 31 Ų | 31 | 60 Ų | 60 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | trans | -84.3 | -179.2 | 161.3 | 68.2 | 7.3 | 0 | 0 | 0 | 111.4 | Q208 G209 Q210 R212 | N206-Q208 PolarHBondContact O-N 3.19Å; N206-Q208 WeakPolarHBondContact OD1-CA 3.46Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.15Å; N206-Q208 PolarHBondContact OD1-N 2.84Å; N206-G209 PolarHBondContact O-N 3.3Å; N206-G209 PolarHBondContact OD1-N 3.41Å; N206-G209 VanDerWaalsContact OD1-N 3.11Å; N206-Q210 PolarHBondContact N-O 3.43Å; N206-Q210 PolarHBondContact ND2-OE1 2.77Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.23Å; N206-Q210 PolarHBondContact OD1-N 2.83Å; N206-Q210 PolarHBondContact OD1-O 3.22Å; N206-R212 HydrophobicContact CB-CG 4.22Å | ||
| 207 | D | 94.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 62.7 Ų | 62.7 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.8 | 174.3 | 63 | -25.6 | 0 | 0 | 0 | 114.3 | L187 W188 | L187-D207 HydrophobicContact CD2-CB 3.83Å; W188-D207 HydrophobicContact CZ2-CB 3.96Å |
| 208 | Q | 95.6 | Very high | 93.5 | Very high | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4 | 175 | -55.2 | -174.8 | 17.6 | 0 | 0 | 113.3 | N206 Q210 | N206-Q208 PolarHBondContact O-N 3.19Å; N206-Q208 WeakPolarHBondContact OD1-CA 3.46Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.15Å; N206-Q208 PolarHBondContact OD1-N 2.84Å; Q208-Q210 VanDerWaalsContact C-N 3.29Å; Q208-Q210 HydrophobicContact CB-CG 4.26Å; Q208-Q210 PolarHBondContact O-N 3.21Å |
| 209 | G | 96.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 73.1 | 17.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N206 | N206-G209 PolarHBondContact O-N 3.3Å; N206-G209 PolarHBondContact OD1-N 3.41Å; N206-G209 VanDerWaalsContact OD1-N 3.11Å |
| 210 | Q | 97.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 135.8 | 177.1 | -58.2 | 172 | -59.6 | 0 | 0 | 110.5 | Y205 N206 Q208 K266 N267 | Y205-Q210 CarbonylContact C-O 3.38Å; Y205-Q210 VanDerWaalsContact CA-O 3.32Å; Y205-Q210 WeakPolarHBondContact CA-O 3.46Å; N206-Q210 PolarHBondContact N-O 3.43Å; N206-Q210 PolarHBondContact ND2-OE1 2.77Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.23Å; N206-Q210 PolarHBondContact OD1-N 2.83Å; N206-Q210 PolarHBondContact OD1-O 3.22Å; Q208-Q210 VanDerWaalsContact C-N 3.29Å; Q208-Q210 HydrophobicContact CB-CG 4.26Å; Q208-Q210 PolarHBondContact O-N 3.21Å; Q210-K266 PolarHBondContact NE2-O 3.03Å; Q210-N267 CarbonylContact C-O 3.6Å; Q210-N267 WeakPolarHBondContact CA-O 3.41Å; Q210-N267 HydrophobicContact CB-CB 3.99Å |
| 211 | V | 97.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 135.6 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | A204 Y205 L213 I219 N267 Y333 F350 | A204-V211 CarbonylContact O-C 3.6Å; A204-V211 WeakPolarHBondContact O-CA 3.46Å; Y205-V211 HydrophobicContact CD1-CB 4.44Å; V211-L213 HydrophobicContact CG2-CB 4.23Å; V211-I219 HydrophobicContact CG2-CD1 4.04Å; V211-N267 HydrophobicContact CG1-CB 3.85Å; V211-N267 PolarHBondContact N-O 2.82Å; V211-N267 VanDerWaalsContact O-CB 3.28Å; V211-N267 WeakPolarHBondContact O-CB 3.06Å; V211-N267 PolarHBondContact O-ND2 2.77Å; V211-Y333 HydrophobicContact CG1-CE2 4.26Å; V211-Y333 HydrophobicContact CG2-CD1 4.37Å; V211-Y333 HydrophobicContact CG2-CE1 3.88Å; V211-F350 HydrophobicContact CB-CD1 3.79Å; V211-F350 HydrophobicContact CB-CE1 3.89Å; V211-F350 HydrophobicContact CB-CG 4.41Å; V211-F350 HydrophobicContact CG1-CB 4.07Å; V211-F350 HydrophobicContact CG1-CD1 3.58Å; V211-F350 HydrophobicContact CG1-CE1 4.21Å; V211-F350 HydrophobicContact CG1-CG 3.92Å |
| 212 | R | 96 | Very high | 94.8 | Very high | 192 Ų | 192 | 46.2 Ų | 46.2 | 73% | 0.725 | 22% | 0.217 | S | C | * | . | trans | -112.1 | -15.6 | 178.1 | -60.1 | -179.2 | 68.7 | 179.6 | -1 | 112.8 | A204 N206 | A204-R212 PolarHBondContact O-N 2.74Å; N206-R212 HydrophobicContact CB-CG 4.22Å | ||
| 213 | L | 93.8 | Very high | 95 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -71.2 | 152.4 | 175.5 | -55.7 | -179.3 | 0 | 0 | 0 | 109.8 | K202 A204 V211 L217 I219 Y333 | K202-L213 HydrophobicContact CB-CD2 4.07Å; A204-L213 HydrophobicContact CB-CD1 3.68Å; A204-L213 HydrophobicContact CB-CG 4.1Å; V211-L213 HydrophobicContact CG2-CB 4.23Å; L213-L217 HydrophobicContact CB-CB 4.37Å; L213-L217 HydrophobicContact CB-CD1 4.48Å; L213-L217 HydrophobicContact CD1-CB 4.42Å; L213-I219 HydrophobicContact CD1-CG1 4.2Å; L213-Y333 HydrophobicContact CB-CE1 4.5Å; L213-Y333 PolarHBondContact O-OH 3.25Å; L213-Y333 VanDerWaalsContact O-OH 3.12Å |
| 214 | R | 91.8 | Very high | 95.1 | Very high | 141 Ų | 141 | 40 Ų | 40 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -72.2 | 155.6 | 164.1 | 62 | 175.4 | -177.5 | -175 | 1.3 | 109.6 | L217 Y333 D373 | R214-L217 HydrophobicContact CG-CD1 3.67Å; R214-L217 HydrophobicContact CG-CG 3.87Å; R214-L217 PolarHBondContact O-N 3.18Å; R214-Y333 WeakPolarHBondContact O-CE1 3.41Å; R214-D373 WeakPolarHBondContact CD-OD1 3.28Å; R214-D373 IonicContact CZ-OD1 3.73Å; R214-D373 IonicContact NE-OD1 2.89Å; R214-D373 PolarHBondContact NE-OD1 3.5Å; R214-D373 IonicContact NH1-OD1 3.49Å; R214-D373 PolarHBondContact NH1-OD1 3.33Å |
| 215 | A | 88 | Confident | 95 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 155.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L217 Q331 Y333 | A215-L217 PolarHBondContact O-N 3.16Å; A215-Q331 HydrophobicContact CB-CG 3.69Å; A215-Y333 PolarHBondContact N-OH 3.18Å |
| 216 | G | 86.1 | Confident | 95 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -23.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E375 | G216-E375 WeakPolarHBondContact CA-O 3.41Š|
| 217 | L | 91.6 | Very high | 95 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -82.7 | 136.9 | 171.9 | -63.9 | 179.9 | 0 | 0 | 0 | 111.3 | L213 R214 A215 | L213-L217 HydrophobicContact CB-CB 4.37Å; L213-L217 HydrophobicContact CB-CD1 4.48Å; L213-L217 HydrophobicContact CD1-CB 4.42Å; R214-L217 HydrophobicContact CG-CD1 3.67Å; R214-L217 HydrophobicContact CG-CG 3.87Å; R214-L217 PolarHBondContact O-N 3.18Å; A215-L217 PolarHBondContact O-N 3.16Å |
| 218 | P | 94.4 | Very high | 95 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | trans | -74.1 | 150.6 | -179.7 | 33.5 | -38.3 | 0 | 0 | 0 | 111.3 | H201 Y220 Y303 F336 | H201-P218 WeakPolarHBondContact CE1-CG 3.34Å; P218-Y220 HydrophobicContact CB-CD2 4.32Å; P218-Y220 HydrophobicContact CB-CE2 3.82Å; P218-Y220 HydrophobicContact CG-CD2 4.33Å; P218-Y220 HydrophobicContact CG-CE2 3.72Å; P218-Y303 HydrophobicContact CB-CE1 4.39Å; P218-Y303 HydrophobicContact CB-CE2 4.47Å; P218-Y303 VanDerWaalsContact CD-OH 3.27Å; P218-Y303 WeakPolarHBondContact CD-OH 3.31Å; P218-Y303 WeakPolarHBondContact CG-OH 3.5Å; P218-F336 HydrophobicContact CB-CD2 4.05Å; P218-F336 HydrophobicContact CB-CE2 3.75Å | ||
| 219 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125 | 173.8 | -61.3 | 175.9 | 0 | 0 | 0 | 109.1 | A204 Y205 V211 L213 E221 Y333 N334 V335 F336 F350 | A204-I219 HydrophobicContact CB-CB 4.25Å; A204-I219 HydrophobicContact CB-CD1 4.36Å; A204-I219 HydrophobicContact CB-CG1 3.91Å; A204-I219 HydrophobicContact CB-CG2 3.64Å; Y205-I219 HydrophobicContact CE1-CD1 4.34Å; Y205-I219 HydrophobicContact CE1-CG2 4.43Å; Y205-I219 HydrophobicContact CE2-CG2 4.21Å; Y205-I219 WeakPolarHBondContact OH-CG2 3.31Å; V211-I219 HydrophobicContact CG2-CD1 4.04Å; L213-I219 HydrophobicContact CD1-CG1 4.2Å; I219-E221 HydrophobicContact CG2-CG 4.19Å; I219-Y333 HydrophobicContact CD1-CD1 3.71Å; I219-Y333 HydrophobicContact CD1-CG 3.88Å; I219-Y333 HydrophobicContact CG1-CD1 4.15Å; I219-N334 PolarHBondContact N-O 2.81Å; I219-V335 HydrophobicContact CB-CG1 4.31Å; I219-V335 HydrophobicContact CB-CG2 4.19Å; I219-V335 HydrophobicContact CD1-CG2 4.39Å; I219-V335 HydrophobicContact CG2-CG1 4.22Å; I219-V335 CarbonylContact O-C 3.45Å; I219-V335 WeakPolarHBondContact O-CA 3.07Å; I219-F336 PolarHBondContact O-N 2.95Å; I219-F350 HydrophobicContact CD1-CE2 3.99Å; I219-F350 HydrophobicContact CD1-CZ 4.14Å |
| 220 | Y | 97.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 102.3 | 175.3 | -75.8 | -90.6 | 0 | 0 | 0 | 110.2 | P196 S199 H201 P218 N234 F336 L340 E342 | P196-Y220 WeakPolarHBondContact CG-O 3.22Å; S199-Y220 VanDerWaalsContact OG-CD1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CD1 3.26Å; S199-Y220 VanDerWaalsContact OG-CE1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CE1 3.48Å; H201-Y220 HydrophobicContact CB-CD2 4.06Å; H201-Y220 HydrophobicContact CB-CE2 4.46Å; H201-Y220 AromaticContact CD2-CD2 3.65Å; H201-Y220 AromaticContact CD2-CE2 3.17Å; H201-Y220 WeakPolarHBondContact CD2-CE2 3.42Å; H201-Y220 AromaticContact CG-CD2 3.99Å; H201-Y220 AromaticContact CG-CE2 3.9Å; H201-Y220 AromaticContact NE2-CE2 3.64Å; P218-Y220 HydrophobicContact CB-CD2 4.32Å; P218-Y220 HydrophobicContact CB-CE2 3.82Å; P218-Y220 HydrophobicContact CG-CD2 4.33Å; P218-Y220 HydrophobicContact CG-CE2 3.72Å; Y220-N234 PolarHBondContact O-ND2 3.39Å; Y220-F336 HydrophobicContact CD1-CB 3.69Å; Y220-F336 HydrophobicContact CD1-CD2 4.35Å; Y220-F336 HydrophobicContact CD1-CG 4.38Å; Y220-F336 HydrophobicContact CD2-CD2 4.47Å; Y220-F336 HydrophobicContact CE1-CB 3.68Å; Y220-F336 AromaticContact CE1-CD2 3.85Å; Y220-F336 HydrophobicContact CE1-CD2 3.85Å; Y220-F336 AromaticContact CE1-CG 3.94Å; Y220-F336 HydrophobicContact CE1-CG 3.94Å; Y220-F336 AromaticContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CG-CB 4.4Å; Y220-F336 AromaticContact CZ-CD2 3.65Å; Y220-L340 HydrophobicContact CD1-CD2 4.1Å; Y220-L340 HydrophobicContact CE1-CD2 4.12Å; Y220-E342 PolarHBondContact OH-OE1 3.3Å |
| 221 | E | 98.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | trans | -81.2 | 165.3 | 176.3 | -63.9 | -150.5 | 151.6 | 0 | 0 | 112.1 | Y205 I219 N234 V236 V237 Q238 V335 F336 I337 | Y205-E221 HydrophobicContact CE2-CG 4.14Å; Y205-E221 WeakPolarHBondContact CE2-OE1 3.4Å; Y205-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E221 PolarHBondContact OH-OE1 3.14Å; I219-E221 HydrophobicContact CG2-CG 4.19Å; E221-N234 WeakPolarHBondContact CA-ND2 3.4Å; E221-N234 WeakPolarHBondContact CA-O 3.31Å; E221-N234 VanDerWaalsContact CB-O 3.28Å; E221-N234 WeakPolarHBondContact CB-O 3.44Å; E221-V236 WeakPolarHBondContact OE1-CA 3.3Å; E221-V236 WeakPolarHBondContact OE1-CB 3.25Å; E221-V236 PolarHBondContact OE1-N 2.95Å; E221-V236 PolarHBondContact OE2-N 3.11Å; E221-V237 PolarHBondContact OE1-N 2.85Å; E221-V237 PolarHBondContact OE2-N 2.96Å; E221-Q238 WeakPolarHBondContact OE2-CG 3.24Å; E221-Q238 PolarHBondContact OE2-N 2.8Å; E221-Q238 PolarHBondContact OE2-NE2 3.22Å; E221-V335 HydrophobicContact CG-CG1 4.04Å; E221-F336 PolarHBondContact N-O 3.18Å; E221-I337 HydrophobicContact CB-CD1 4.21Å; E221-I337 HydrophobicContact CB-CG1 3.98Å; E221-I337 HydrophobicContact CB-CG2 4.36Å; E221-I337 HydrophobicContact CG-CD1 4.25Å; E221-I337 HydrophobicContact CG-CG1 4.3Å | ||
| 222 | C | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -68.1 | 141.5 | 164.6 | -71.6 | 0 | 0 | 0 | 0 | 110.4 | C194 C226 C228 N234 R235 Q238 | C194-C222 PolarHBondContact SG-SG 2.66Å; C222-C226 HydrophobicContact CB-CB 4.04Å; C222-C228 VanDerWaalsContact CB-SG 3.54Å; C222-N234 HydrophobicContact CB-CB 4.5Å; C222-N234 PolarHBondContact N-ND2 3.09Å; C222-N234 VanDerWaalsContact N-ND2 3.2Å; C222-N234 PolarHBondContact N-O 2.95Å; C222-R235 HydrophobicContact CB-CG 4Å; C222-R235 PolarHBondContact O-NH1 3.46Å; C222-Q238 PolarHBondContact O-NE2 3.36Å | ||
| 223 | N | 96.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | trans | -110.7 | -179.3 | -173.1 | 63.5 | 41 | 0 | 0 | 0 | 112.6 | V177 V179 R225 C226 R235 I337 | V177-N223 HydrophobicContact CG1-CB 3.73Å; V177-N223 VanDerWaalsContact CG1-ND2 3.27Å; V177-N223 WeakPolarHBondContact CG1-ND2 3.3Å; V179-N223 PolarHBondContact O-ND2 3.14Å; N223-R225 PolarHBondContact O-N 3.2Å; N223-R225 VanDerWaalsContact O-N 3.17Å; N223-R225 WeakPolarHBondContact OD1-CA 3.33Å; N223-R225 WeakPolarHBondContact OD1-CB 3.36Å; N223-R225 PolarHBondContact OD1-N 3.15Å; N223-C226 PolarHBondContact N-SG 2.79Å; N223-C226 WeakPolarHBondContact O-CB 3.36Å; N223-C226 PolarHBondContact O-N 3.02Å; N223-C226 VanDerWaalsContact O-N 3.1Å; N223-C226 PolarHBondContact OD1-N 3.48Å; N223-C226 PolarHBondContact OD1-SG 2.82Å; N223-R235 PolarHBondContact O-NH1 2.96Å; N223-R235 VanDerWaalsContact O-NH1 3.16Å; N223-R235 PolarHBondContact O-NH2 2.66Å; N223-I337 HydrophobicContact CB-CG2 4.35Å; N223-I337 WeakPolarHBondContact CB-O 3.22Å | ||
| 224 | S | 95.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.8 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | D338 | S224-D338 WeakPolarHBondContact CB-OD1 3.21Å; S224-D338 PolarHBondContact N-OD1 3.46Å; S224-D338 PolarHBondContact OG-OD1 3.04Å |
| 225 | R | 96.1 | Very high | 95.2 | Very high | 145 Ų | 145 | 44.2 Ų | 44.2 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -8.7 | 175.9 | -56.6 | -62.1 | -178.6 | -178 | -4.5 | 113.6 | V177 N223 | V177-R225 HydrophobicContact CG1-CG 4.31Å; V177-R225 WeakPolarHBondContact O-CG 3.39Å; N223-R225 PolarHBondContact O-N 3.2Å; N223-R225 VanDerWaalsContact O-N 3.17Å; N223-R225 WeakPolarHBondContact OD1-CA 3.33Å; N223-R225 WeakPolarHBondContact OD1-CB 3.36Å; N223-R225 PolarHBondContact OD1-N 3.15Å |
| 226 | C | 96.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | trans | -75.7 | 145.5 | -179.9 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | G180 C181 C195 C222 N223 C228 | G180-C226 WeakPolarHBondContact CA-SG 3.33Å; C181-C226 PolarHBondContact N-SG 3.4Å; C181-C226 WeakPolarHBondContact O-CA 3.39Å; C195-C226 PolarHBondContact SG-SG 2.94Å; C222-C226 HydrophobicContact CB-CB 4.04Å; N223-C226 PolarHBondContact N-SG 2.79Å; N223-C226 WeakPolarHBondContact O-CB 3.36Å; N223-C226 PolarHBondContact O-N 3.02Å; N223-C226 VanDerWaalsContact O-N 3.1Å; N223-C226 PolarHBondContact OD1-N 3.48Å; N223-C226 PolarHBondContact OD1-SG 2.82Å; C226-C228 VanDerWaalsContact C-N 3.3Å; C226-C228 PolarHBondContact O-N 2.81Å | ||
| 227 | R | 95.2 | Very high | 96.2 | Very high | 187 Ų | 187 | 43.7 Ų | 43.7 | 71% | 0.706 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -71.9 | -23.8 | 177.6 | -159.6 | -179.1 | -168.4 | -161.6 | 3.3 | 113.5 | C181 | C181-R227 PolarHBondContact O-N 3.25Š|
| 228 | C | 95.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -68.3 | 138.4 | 179.9 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | C186 C222 C226 C232 R235 | C186-C228 VanDerWaalsContact SG-CB 3.59Å; C186-C228 VanDerWaalsContact SG-SG 3.67Å; C222-C228 VanDerWaalsContact CB-SG 3.54Å; C226-C228 VanDerWaalsContact C-N 3.3Å; C226-C228 PolarHBondContact O-N 2.81Å; C228-C232 HydrophobicContact CB-CB 3.96Å; C228-R235 PolarHBondContact O-NE 2.76Å; C228-R235 PolarHBondContact O-NH2 2.74Å |
| 229 | G | 95.4 | Very high | 96.6 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | trans | -72.6 | -176.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D231 C232 R235 | G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.45Å; G229-C232 WeakPolarHBondContact O-CB 3.41Å; G229-C232 PolarHBondContact O-N 3.04Å; G229-C232 VanDerWaalsContact O-N 3.14Å; G229-R235 VanDerWaalsContact O-CD 3.31Å; G229-R235 WeakPolarHBondContact O-CD 3.49Å; G229-R235 PolarHBondContact O-NE 3.28Å; G229-R235 VanDerWaalsContact O-NE 3.15Å | ||
| 230 | Y | 93.7 | Very high | 96.6 | Very high | 124 Ų | 124 | 46 Ų | 46 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -36.9 | 180 | 179.3 | -99.5 | 0 | 0 | 0 | 113.2 | C232 K239 R242 | Y230-C232 PolarHBondContact O-N 3.32Å; Y230-K239 HydrophobicContact CE1-CD 4.35Å; Y230-K239 HydrophobicContact CE1-CG 4.28Å; Y230-K239 HydrophobicContact CE2-CG 4.03Å; Y230-K239 WeakPolarHBondContact O-CE 3.45Å; Y230-K239 PolarHBondContact O-NZ 2.78Å; Y230-R242 PolarHBondContact OH-NH1 3.34Å; Y230-R242 VanDerWaalsContact OH-NH1 3.08Å |
| 231 | D | 94.6 | Very high | 96.7 | Very high | 135 Ų | 135 | 45.7 Ų | 45.7 | 72% | 0.722 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | 2.2 | -177.8 | -62.8 | -44.7 | 0 | 0 | 0 | 114.3 | G229 | G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.45Å |
| 232 | C | 96.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | trans | -48.5 | 131.5 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | C228 G229 Y230 N234 R235 K239 | C228-C232 HydrophobicContact CB-CB 3.96Å; G229-C232 WeakPolarHBondContact O-CB 3.41Å; G229-C232 PolarHBondContact O-N 3.04Å; G229-C232 VanDerWaalsContact O-N 3.14Å; Y230-C232 PolarHBondContact O-N 3.32Å; C232-N234 PolarHBondContact O-N 2.78Å; C232-N234 PolarHBondContact SG-N 3.04Å; C232-R235 HydrophobicContact CB-CB 4.33Å; C232-R235 HydrophobicContact CB-CG 3.79Å; C232-R235 WeakPolarHBondContact O-CB 3.39Å; C232-R235 PolarHBondContact O-N 3.16Å; C232-K239 PolarHBondContact O-NZ 3.19Å | ||
| 233 | P | 96.2 | Very high | 96.7 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.5 | 175.8 | -25.5 | 35.5 | 0 | 0 | 0 | 113.7 | L187 F203 Y205 R235 V236 | L187-P233 HydrophobicContact CB-CB 4.09Å; L187-P233 HydrophobicContact CB-CG 3.95Å; L187-P233 HydrophobicContact CD2-CB 4.07Å; L187-P233 HydrophobicContact CD2-CG 4.11Å; F203-P233 HydrophobicContact CZ-CB 4.42Å; Y205-P233 WeakPolarHBondContact CD2-O 3.47Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.14Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å |
| 234 | N | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 24.5 | 173.3 | -154.2 | 35.2 | 0 | 0 | 0 | 113.7 | C186 F203 Y220 E221 C222 C232 | C186-N234 HydrophobicContact CB-CB 4.49Å; F203-N234 HydrophobicContact CE2-CB 3.54Å; F203-N234 HydrophobicContact CZ-CB 3.52Å; Y220-N234 PolarHBondContact O-ND2 3.39Å; E221-N234 WeakPolarHBondContact CA-ND2 3.4Å; E221-N234 WeakPolarHBondContact CA-O 3.31Å; E221-N234 VanDerWaalsContact CB-O 3.28Å; E221-N234 WeakPolarHBondContact CB-O 3.44Å; C222-N234 HydrophobicContact CB-CB 4.5Å; C222-N234 PolarHBondContact N-ND2 3.09Å; C222-N234 VanDerWaalsContact N-ND2 3.2Å; C222-N234 PolarHBondContact N-O 2.95Å; C232-N234 PolarHBondContact O-N 2.78Å; C232-N234 PolarHBondContact SG-N 3.04Å |
| 235 | R | 97.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 50 Ų | 50 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | trans | -129.7 | 84.5 | 172.5 | -63.8 | -174.4 | -175.9 | -84.7 | 3.2 | 107.5 | C222 N223 C228 G229 C232 P233 Q238 K239 | C222-R235 HydrophobicContact CB-CG 4Å; C222-R235 PolarHBondContact O-NH1 3.46Å; N223-R235 PolarHBondContact O-NH1 2.96Å; N223-R235 VanDerWaalsContact O-NH1 3.16Å; N223-R235 PolarHBondContact O-NH2 2.66Å; C228-R235 PolarHBondContact O-NE 2.76Å; C228-R235 PolarHBondContact O-NH2 2.74Å; G229-R235 VanDerWaalsContact O-CD 3.31Å; G229-R235 WeakPolarHBondContact O-CD 3.49Å; G229-R235 PolarHBondContact O-NE 3.28Å; G229-R235 VanDerWaalsContact O-NE 3.15Å; C232-R235 HydrophobicContact CB-CB 4.33Å; C232-R235 HydrophobicContact CB-CG 3.79Å; C232-R235 WeakPolarHBondContact O-CB 3.39Å; C232-R235 PolarHBondContact O-N 3.16Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.14Å; R235-Q238 VanDerWaalsContact CB-CD 3.44Å; R235-Q238 HydrophobicContact CB-CG 3.74Å; R235-Q238 VanDerWaalsContact CD-OE1 3.27Å; R235-Q238 VanDerWaalsContact CG-CD 3.45Å; R235-Q238 HydrophobicContact CG-CG 4.32Å; R235-K239 WeakPolarHBondContact O-CD 3.45Å; R235-K239 WeakPolarHBondContact O-CE 3.19Å; R235-K239 WeakPolarHBondContact O-CG 3.15Å; R235-K239 PolarHBondContact O-NZ 2.88Å | ||
| 236 | V | 98.2 | Very high | 97 | Very high | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.127 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -110 | -58.1 | -176 | 176.1 | 0 | 0 | 0 | 0 | 110 | Y205 E221 P233 K239 F269 | Y205-V236 HydrophobicContact CD1-CB 4.47Å; Y205-V236 HydrophobicContact CD1-CG2 4.03Å; Y205-V236 HydrophobicContact CD2-CB 4.34Å; Y205-V236 HydrophobicContact CD2-CG2 3.59Å; Y205-V236 HydrophobicContact CE1-CB 4.07Å; Y205-V236 HydrophobicContact CE1-CG1 4.38Å; Y205-V236 HydrophobicContact CE1-CG2 4.11Å; Y205-V236 HydrophobicContact CE2-CB 3.87Å; Y205-V236 HydrophobicContact CE2-CG2 3.63Å; Y205-V236 HydrophobicContact CG-CG2 3.76Å; E221-V236 WeakPolarHBondContact OE1-CA 3.3Å; E221-V236 WeakPolarHBondContact OE1-CB 3.25Å; E221-V236 PolarHBondContact OE1-N 2.95Å; E221-V236 PolarHBondContact OE2-N 3.11Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å; V236-K239 WeakPolarHBondContact O-CB 3.34Å; V236-K239 PolarHBondContact O-N 3.49Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V236-F269 HydrophobicContact CG1-CB 3.69Å; V236-F269 HydrophobicContact CG1-CG 4.38Å |
| 237 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -64.1 | -45.2 | -177.3 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | E221 K239 G240 F269 E272 V335 A348 F350 | E221-V237 PolarHBondContact OE1-N 2.85Å; E221-V237 PolarHBondContact OE2-N 2.96Å; V237-K239 PolarHBondContact O-N 2.91Å; V237-G240 PolarHBondContact O-N 2.81Å; V237-F269 HydrophobicContact CB-CD2 4.44Å; V237-F269 HydrophobicContact CB-CE2 4.21Å; V237-F269 HydrophobicContact CB-CZ 4.37Å; V237-F269 HydrophobicContact CG1-CE2 3.84Å; V237-F269 HydrophobicContact CG1-CZ 3.96Å; V237-F269 HydrophobicContact CG2-CD2 3.8Å; V237-F269 HydrophobicContact CG2-CE2 3.97Å; V237-F269 HydrophobicContact CG2-CG 4.27Å; V237-E272 VanDerWaalsContact CG1-CD 3.49Å; V237-E272 HydrophobicContact CG1-CG 3.72Å; V237-V335 HydrophobicContact CB-CG1 4.34Å; V237-V335 HydrophobicContact CG2-CG1 4.21Å; V237-V335 HydrophobicContact CG2-CG2 4.18Å; V237-A348 HydrophobicContact CG1-CB 4.17Å; V237-A348 HydrophobicContact CG2-CB 3.95Å; V237-F350 HydrophobicContact CG2-CE2 4.12Å; V237-F350 HydrophobicContact CG2-CZ 3.91Å |
| 238 | Q | 97.2 | Very high | 97.3 | Very high | 52 Ų | 52 | 34.9 Ų | 34.9 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -62.9 | -12.5 | 177.8 | 68.8 | -167.9 | -96 | 0 | 0 | 114.7 | E221 C222 R235 G240 I337 | E221-Q238 WeakPolarHBondContact OE2-CG 3.24Å; E221-Q238 PolarHBondContact OE2-N 2.8Å; E221-Q238 PolarHBondContact OE2-NE2 3.22Å; C222-Q238 PolarHBondContact O-NE2 3.36Å; R235-Q238 VanDerWaalsContact CB-CD 3.44Å; R235-Q238 HydrophobicContact CB-CG 3.74Å; R235-Q238 VanDerWaalsContact CD-OE1 3.27Å; R235-Q238 VanDerWaalsContact CG-CD 3.45Å; R235-Q238 HydrophobicContact CG-CG 4.32Å; Q238-G240 PolarHBondContact O-N 2.74Å; Q238-I337 HydrophobicContact CB-CD1 3.97Å |
| 239 | K | 97 | Very high | 97.4 | Very high | 40 Ų | 40 | 36.1 Ų | 36.1 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -78.8 | -7.2 | 173.4 | -66.8 | -178.5 | 173.4 | 140.6 | 0 | 112.9 | Y230 C232 R235 V236 V237 R242 | Y230-K239 HydrophobicContact CE1-CD 4.35Å; Y230-K239 HydrophobicContact CE1-CG 4.28Å; Y230-K239 HydrophobicContact CE2-CG 4.03Å; Y230-K239 WeakPolarHBondContact O-CE 3.45Å; Y230-K239 PolarHBondContact O-NZ 2.78Å; C232-K239 PolarHBondContact O-NZ 3.19Å; R235-K239 WeakPolarHBondContact O-CD 3.45Å; R235-K239 WeakPolarHBondContact O-CE 3.19Å; R235-K239 WeakPolarHBondContact O-CG 3.15Å; R235-K239 PolarHBondContact O-NZ 2.88Å; V236-K239 WeakPolarHBondContact O-CB 3.34Å; V236-K239 PolarHBondContact O-N 3.49Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V237-K239 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-NH1 2.72Å |
| 240 | G | 97.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | trans | 68.7 | -178.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | V237 Q238 R242 | V237-G240 PolarHBondContact O-N 2.81Å; Q238-G240 PolarHBondContact O-N 2.74Å; G240-R242 PolarHBondContact O-N 2.8Å | ||
| 241 | I | 98.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | trans | -61.1 | 124.9 | -177.9 | -52.8 | 178.8 | 0 | 0 | 0 | 110.5 | H141 L142 G143 L245 M271 I318 | H141-I241 HydrophobicContact CB-CB 4.18Å; H141-I241 WeakPolarHBondContact CB-O 3.45Å; L142-I241 PolarHBondContact N-O 3.06Å; G143-I241 PolarHBondContact N-O 2.77Å; I241-L245 HydrophobicContact CD1-CD1 4.34Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; I241-M271 HydrophobicContact CD1-CB 3.59Å; I241-M271 HydrophobicContact CG1-CB 3.8Å; I241-I318 HydrophobicContact CD1-CG2 3.58Å | ||
| 242 | R | 97.3 | Very high | 97.5 | Very high | 105 Ų | 105 | 30.7 Ų | 30.7 | 40% | 0.396 | 15% | 0.152 | S | C | . | . | trans | -100.5 | -16.6 | 179 | -56.6 | -58.5 | -117.3 | -157.8 | 2.6 | 114.2 | Y230 K239 G240 | Y230-R242 PolarHBondContact OH-NH1 3.34Å; Y230-R242 VanDerWaalsContact OH-NH1 3.08Å; K239-R242 PolarHBondContact O-NH1 2.72Å; G240-R242 PolarHBondContact O-N 2.8Å | ||
| 243 | Y | 98.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -96.4 | 145.6 | -174.4 | -46.8 | -69.3 | 0 | 0 | 0 | 112.2 | G143 L245 E262 I264 S268 F269 | G143-Y243 CarbonylContact C-O 3.58Å; G143-Y243 WeakPolarHBondContact CA-O 3.42Å; Y243-L245 PolarHBondContact O-N 3.42Å; Y243-E262 VanDerWaalsContact CA-OE1 3.31Å; Y243-E262 WeakPolarHBondContact CA-OE1 3.21Å; Y243-E262 HydrophobicContact CD1-CG 3.89Å; Y243-E262 HydrophobicContact CG-CG 4.34Å; Y243-I264 HydrophobicContact CD1-CG1 4Å; Y243-I264 HydrophobicContact CD2-CD1 3.78Å; Y243-I264 HydrophobicContact CD2-CG1 3.92Å; Y243-I264 HydrophobicContact CE1-CG1 4.06Å; Y243-I264 HydrophobicContact CE2-CD1 4.05Å; Y243-I264 HydrophobicContact CE2-CG1 3.97Å; Y243-I264 HydrophobicContact CE2-CG2 4.01Å; Y243-I264 HydrophobicContact CG-CD1 4.1Å; Y243-I264 HydrophobicContact CG-CG1 3.94Å; Y243-S268 VanDerWaalsContact OH-CB 3.3Å; Y243-S268 WeakPolarHBondContact OH-CB 3.49Å; Y243-F269 VanDerWaalsContact CE2-O 3.22Å; Y243-F269 WeakPolarHBondContact CE2-O 3.47Å |
| 244 | D | 98.7 | Very high | 97.2 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | trans | -69.3 | 122.8 | 165.1 | -76.8 | -3.3 | 0 | 0 | 0 | 109.5 | R144 L261 E262 | R144-D244 VanDerWaalsContact CB-OD1 3.25Å; R144-D244 WeakPolarHBondContact CB-OD1 3.34Å; R144-D244 WeakPolarHBondContact CG-OD1 3.43Å; R144-D244 IonicContact CZ-OD2 3.27Å; R144-D244 PolarHBondContact N-OD1 3.34Å; R144-D244 IonicContact NE-OD1 3.34Å; R144-D244 IonicContact NE-OD2 2.72Å; R144-D244 PolarHBondContact NE-OD2 3.07Å; R144-D244 IonicContact NH2-OD2 2.67Å; R144-D244 PolarHBondContact NH2-OD2 3.49Å; R144-D244 CarbonylContact O-C 3.45Å; R144-D244 WeakPolarHBondContact O-CA 3.49Å; D244-L261 HydrophobicContact CB-CB 4.08Å; D244-L261 HydrophobicContact CB-CD1 4.16Å; D244-L261 WeakPolarHBondContact O-CB 3.4Å; D244-L261 PolarHBondContact O-N 3.02Å; D244-E262 PolarHBondContact N-OE1 3.48Å | ||
| 245 | L | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.7 | -177.5 | -60.3 | -178 | 0 | 0 | 0 | 110.6 | R144 I145 T146 I241 Y243 V258 R259 M271 I318 L361 | R144-L245 PolarHBondContact O-N 2.67Å; I145-L245 CarbonylContact C-O 3.57Å; I145-L245 WeakPolarHBondContact CA-O 3.16Å; T146-L245 PolarHBondContact N-O 3.46Å; T146-L245 PolarHBondContact OG1-O 3.42Å; I241-L245 HydrophobicContact CD1-CD1 4.34Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; Y243-L245 PolarHBondContact O-N 3.42Å; L245-V258 HydrophobicContact CB-CG1 4.24Å; L245-V258 HydrophobicContact CD1-CG1 4.39Å; L245-R259 WeakPolarHBondContact CA-O 3.33Å; L245-M271 HydrophobicContact CD1-CE 3.64Å; L245-I318 HydrophobicContact CB-CD1 3.6Å; L245-I318 HydrophobicContact CD1-CD1 3.94Å; L245-I318 HydrophobicContact CD1-CG2 4.19Å; L245-I318 HydrophobicContact CG-CD1 4.43Å; L245-L361 HydrophobicContact CD2-CD1 3.87Å |
| 246 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.2 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | T146 F248 V258 R259 L261 | T146-C246 CarbonylContact O-C 3.57Å; T146-C246 WeakPolarHBondContact O-CA 3.28Å; T146-C246 WeakPolarHBondContact OG1-CA 3.34Å; T146-C246 WeakPolarHBondContact OG1-CB 3.35Å; T146-C246 PolarHBondContact OG1-SG 2.82Å; T146-C246 VanDerWaalsContact OG1-SG 3.36Å; C246-F248 PolarHBondContact O-N 2.91Å; C246-V258 CarbonylContact O-C 3.54Å; C246-V258 WeakPolarHBondContact O-CA 3.2Å; C246-R259 HydrophobicContact CB-CG 3.81Å; C246-R259 PolarHBondContact N-O 2.58Å; C246-R259 PolarHBondContact O-N 2.96Å; C246-L261 HydrophobicContact CB-CD1 4.48Å; C246-L261 HydrophobicContact CB-CD2 3.84Å; C246-L261 HydrophobicContact CB-CG 4.18Å |
| 247 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.3 | 162.6 | -59.5 | 168.7 | 0 | 0 | 0 | 106.6 | W131 L135 I145 T146 V147 E148 W256 G257 I318 F321 | W131-I247 HydrophobicContact CH2-CD1 4.06Å; W131-I247 HydrophobicContact CH2-CG2 4.08Å; W131-I247 HydrophobicContact CZ2-CD1 4.27Å; W131-I247 HydrophobicContact CZ3-CG2 4.4Å; L135-I247 HydrophobicContact CD1-CD1 3.83Å; I145-I247 HydrophobicContact CG2-CD1 3.88Å; I145-I247 HydrophobicContact CG2-CG1 4.17Å; T146-I247 PolarHBondContact O-N 3.02Å; V147-I247 WeakPolarHBondContact CA-O 3.43Å; V147-I247 HydrophobicContact CG2-CB 4.46Å; E148-I247 PolarHBondContact N-O 3.5Å; I247-W256 HydrophobicContact CG2-CB 4.33Å; I247-W256 HydrophobicContact CG2-CD2 4.25Å; I247-W256 HydrophobicContact CG2-CE3 3.73Å; I247-W256 HydrophobicContact CG2-CZ3 4.4Å; I247-G257 CarbonylContact C-O 3.58Å; I247-G257 WeakPolarHBondContact CA-O 3.18Å; I247-I318 HydrophobicContact CD1-CD1 4.49Å; I247-I318 HydrophobicContact CD1-CG1 4.21Å; I247-I318 HydrophobicContact CG1-CD1 3.99Å; I247-I318 HydrophobicContact CG1-CG1 3.91Å; I247-F321 HydrophobicContact CD1-CD2 3.64Å; I247-F321 HydrophobicContact CD1-CE2 3.72Å; I247-F321 HydrophobicContact CD1-CG 4.34Å; I247-F321 HydrophobicContact CD1-CZ 4.47Å; I247-F321 HydrophobicContact CG1-CD2 4.06Å; I247-F321 HydrophobicContact CG1-CG 4.41Å; I247-F321 HydrophobicContact CG2-CB 4.37Å; I247-F321 HydrophobicContact CG2-CD1 4.2Å; I247-F321 HydrophobicContact CG2-CD2 4.43Å; I247-F321 HydrophobicContact CG2-CG 4.07Å |
| 248 | F | 98.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.9 | -176.4 | 78.6 | -77.8 | 0 | 0 | 0 | 111.9 | E148 C246 T250 W256 G257 R259 E360 | E148-F248 CarbonylContact O-C 2.99Å; E148-F248 VanDerWaalsContact O-CA 3.22Å; E148-F248 WeakPolarHBondContact O-CA 3.45Å; C246-F248 PolarHBondContact O-N 2.91Å; F248-T250 HydrophobicContact CE2-CG2 4.02Å; F248-T250 HydrophobicContact CZ-CG2 4.14Å; F248-W256 VanDerWaalsContact C-CE3 3.5Å; F248-W256 CarbonylContact O-C 3.45Å; F248-W256 WeakPolarHBondContact O-CA 3.46Å; F248-G257 WeakPolarHBondContact CD1-O 3.35Å; F248-G257 PolarHBondContact N-O 2.94Å; F248-G257 PolarHBondContact O-N 2.81Å; F248-R259 HydrophobicContact CD1-CB 3.99Å; F248-R259 HydrophobicContact CD1-CG 3.74Å; F248-R259 HydrophobicContact CE1-CB 3.86Å; F248-R259 HydrophobicContact CE1-CG 4.12Å; F248-R259 HydrophobicContact CG-CG 4.43Å; F248-E360 HydrophobicContact CE1-CB 4.21Å; F248-E360 HydrophobicContact CE1-CG 3.9Å; F248-E360 HydrophobicContact CZ-CB 4.05Å; F248-E360 HydrophobicContact CZ-CG 3.86Å |
| 249 | R | 98.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.9 | 173.8 | -167.6 | 71 | 177.4 | -177.4 | -9 | 110.5 | E148 N149 V151 D152 D154 G255 W256 | E148-R249 PolarHBondContact O-N 2.82Å; N149-R249 HydrophobicContact CB-CB 3.94Å; N149-R249 VanDerWaalsContact CG-CB 3.41Å; N149-R249 WeakPolarHBondContact OD1-CB 3.48Å; V151-R249 HydrophobicContact CB-CB 4.31Å; V151-R249 HydrophobicContact CB-CG 3.91Å; V151-R249 HydrophobicContact CG2-CB 4.26Å; V151-R249 HydrophobicContact CG2-CG 4.27Å; V151-R249 VanDerWaalsContact CG2-O 3.32Å; V151-R249 WeakPolarHBondContact CG2-O 3.45Å; D152-R249 IonicContact OD1-NE 2.67Å; D152-R249 IonicContact OD2-CZ 2.71Å; D152-R249 VanDerWaalsContact OD2-CZ 3.24Å; D152-R249 IonicContact OD2-NE 2.81Å; D152-R249 PolarHBondContact OD2-NE 3.05Å; D152-R249 IonicContact OD2-NH2 3.13Å; D152-R249 PolarHBondContact OD2-NH2 3.31Å; D154-R249 IonicContact OD2-CZ 3.87Å; D154-R249 IonicContact OD2-NH1 3.72Å; D154-R249 PolarHBondContact OD2-NH1 2.86Å; D154-R249 IonicContact OD2-NH2 3.84Å; D154-R249 PolarHBondContact OD2-NH2 2.86Å; R249-G255 WeakPolarHBondContact CD-O 3.3Å; R249-W256 HydrophobicContact CB-CE3 4.26Å; R249-W256 HydrophobicContact CB-CZ3 4.14Å |
| 250 | T | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | trans | -74.3 | 150.6 | 174.2 | 80.1 | 0 | 0 | 0 | 0 | 110.6 | F248 D252 R254 G255 | F248-T250 HydrophobicContact CE2-CG2 4.02Å; F248-T250 HydrophobicContact CZ-CG2 4.14Å; T250-D252 VanDerWaalsContact CB-OD1 3.25Å; T250-D252 WeakPolarHBondContact CB-OD1 3.45Å; T250-D252 PolarHBondContact OG1-OD1 3.41Å; T250-R254 HydrophobicContact CG2-CB 4.31Å; T250-R254 PolarHBondContact OG1-N 2.9Å; T250-G255 PolarHBondContact N-O 3.45Å; T250-G255 PolarHBondContact OG1-N 3.25Å; T250-G255 PolarHBondContact OG1-O 3.29Å | ||
| 251 | D | 95.3 | Very high | 97.3 | Very high | 142 Ų | 142 | 35 Ų | 35 | 76% | 0.759 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -95.5 | -3.6 | -178.9 | 60.1 | -5.3 | 0 | 0 | 0 | 114.1 | V151 | V151-D251 HydrophobicContact CG1-CB 4.2Å; V151-D251 HydrophobicContact CG2-CB 3.95Å |
| 252 | D | 94.2 | Very high | 97.3 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -99.3 | 2.3 | -179.8 | 57.9 | 15.8 | 0 | 0 | 0 | 114.1 | T250 R254 K401 | T250-D252 VanDerWaalsContact CB-OD1 3.25Å; T250-D252 WeakPolarHBondContact CB-OD1 3.45Å; T250-D252 PolarHBondContact OG1-OD1 3.41Å; D252-R254 VanDerWaalsContact CG-NE 3.34Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 WeakPolarHBondContact OD1-CG 3.25Å; D252-R254 PolarHBondContact OD1-N 3.04Å; D252-R254 IonicContact OD1-NE 3.54Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD1-NH2 2.69Å; D252-R254 IonicContact OD2-CZ 3.92Å; D252-R254 IonicContact OD2-NE 2.86Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; D252-K401 VanDerWaalsContact O-CD 3.3Å; D252-K401 WeakPolarHBondContact O-CD 3.28Å; D252-K401 PolarHBondContact O-NZ 3.5Å |
| 253 | G | 92.5 | Very high | 97.4 | Very high | 61 Ų | 61 | 40 Ų | 40 | 63% | 0.629 | 20% | 0.204 | S | C | * | . | S | Bend | trans | 81.9 | 14.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G255 | G253-G255 PolarHBondContact O-N 3.33Š|
| 254 | R | 93.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 22% | 0.223 | 20% | 0.198 | C | C | . | . | trans | -71.6 | -11.8 | 167 | -68.6 | -176.6 | -73.3 | 131.8 | 6.7 | 113.4 | T250 D252 E360 K401 | T250-R254 HydrophobicContact CG2-CB 4.31Å; T250-R254 PolarHBondContact OG1-N 2.9Å; D252-R254 VanDerWaalsContact CG-NE 3.34Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 WeakPolarHBondContact OD1-CG 3.25Å; D252-R254 PolarHBondContact OD1-N 3.04Å; D252-R254 IonicContact OD1-NE 3.54Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD1-NH2 2.69Å; D252-R254 IonicContact OD2-CZ 3.92Å; D252-R254 IonicContact OD2-NE 2.86Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; R254-E360 IonicContact CZ-OE1 2.7Å; R254-E360 IonicContact CZ-OE2 2.72Å; R254-E360 VanDerWaalsContact NH1-CD 3.29Å; R254-E360 IonicContact NH1-OE1 3.45Å; R254-E360 PolarHBondContact NH1-OE1 3.22Å; R254-E360 IonicContact NH1-OE2 3.28Å; R254-E360 PolarHBondContact NH1-OE2 2.7Å; R254-E360 IonicContact NH2-OE1 2.69Å; R254-E360 IonicContact NH2-OE2 2.74Å; R254-E360 PolarHBondContact NH2-OE2 2.9Å; R254-K401 HydrophobicContact CG-CB 3.93Å; R254-K401 PolarHBondContact NE-O 3.23Å | ||
| 255 | G | 94.5 | Very high | 97.4 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | trans | 95.9 | -126.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R249 T250 G253 | R249-G255 WeakPolarHBondContact CD-O 3.3Å; T250-G255 PolarHBondContact N-O 3.45Å; T250-G255 PolarHBondContact OG1-N 3.25Å; T250-G255 PolarHBondContact OG1-O 3.29Å; G253-G255 PolarHBondContact O-N 3.33Å | ||
| 256 | W | 97.2 | Very high | 97.4 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 144.9 | 174.7 | -66.2 | 104.1 | 0 | 0 | 0 | 110 | L128 V147 N149 G155 I247 F248 R249 F321 N323 | L128-W256 HydrophobicContact CD1-CH2 4.41Å; L128-W256 HydrophobicContact CD2-CH2 3.67Å; L128-W256 HydrophobicContact CD2-CZ2 4.14Å; V147-W256 HydrophobicContact CG1-CH2 4.36Å; V147-W256 HydrophobicContact CG1-CZ3 4.2Å; N149-W256 HydrophobicContact CB-CH2 3.74Å; N149-W256 HydrophobicContact CB-CZ3 4.08Å; G155-W256 WeakPolarHBondContact O-CZ2 3.23Å; I247-W256 HydrophobicContact CG2-CB 4.33Å; I247-W256 HydrophobicContact CG2-CD2 4.25Å; I247-W256 HydrophobicContact CG2-CE3 3.73Å; I247-W256 HydrophobicContact CG2-CZ3 4.4Å; F248-W256 VanDerWaalsContact C-CE3 3.5Å; F248-W256 CarbonylContact O-C 3.45Å; F248-W256 WeakPolarHBondContact O-CA 3.46Å; R249-W256 HydrophobicContact CB-CE3 4.26Å; R249-W256 HydrophobicContact CB-CZ3 4.14Å; W256-F321 HydrophobicContact CB-CB 4.47Å; W256-F321 HydrophobicContact CB-CD1 3.69Å; W256-F321 HydrophobicContact CB-CE1 4.47Å; W256-F321 HydrophobicContact CB-CG 4.49Å; W256-F321 HydrophobicContact CG-CD1 4.22Å; W256-N323 PolarHBondContact O-ND2 2.77Å; W256-N323 PolarHBondContact O-OD1 3.33Å |
| 257 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 170.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I247 F248 F321 N323 | I247-G257 CarbonylContact C-O 3.58Å; I247-G257 WeakPolarHBondContact CA-O 3.18Å; F248-G257 WeakPolarHBondContact CD1-O 3.35Å; F248-G257 PolarHBondContact N-O 2.94Å; F248-G257 PolarHBondContact O-N 2.81Å; G257-F321 CarbonylContact C-O 3.54Å; G257-F321 WeakPolarHBondContact CA-O 3.37Å; G257-N323 WeakPolarHBondContact CA-ND2 3.32Å |
| 258 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.8 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | L245 C246 M271 I318 F321 V322 E360 L361 | L245-V258 HydrophobicContact CB-CG1 4.24Å; L245-V258 HydrophobicContact CD1-CG1 4.39Å; C246-V258 CarbonylContact O-C 3.54Å; C246-V258 WeakPolarHBondContact O-CA 3.2Å; V258-M271 HydrophobicContact CG1-CE 4.37Å; V258-I318 HydrophobicContact CG1-CD1 3.91Å; V258-I318 HydrophobicContact CG1-CG1 4.08Å; V258-I318 HydrophobicContact CG2-CD1 4.5Å; V258-I318 HydrophobicContact CG2-CG1 3.86Å; V258-I318 WeakPolarHBondContact CG2-O 3.45Å; V258-F321 HydrophobicContact CG2-CB 3.64Å; V258-F321 PolarHBondContact N-O 3.48Å; V258-V322 HydrophobicContact CB-CG2 4.06Å; V258-V322 HydrophobicContact CG2-CG2 3.8Å; V258-E360 CarbonylContact O-C 3.46Å; V258-E360 WeakPolarHBondContact O-CA 3.28Å; V258-E360 WeakPolarHBondContact O-CG 3.44Å; V258-L361 HydrophobicContact CG1-CD1 3.99Å; V258-L361 PolarHBondContact O-N 2.91Å |
| 259 | R | 98.8 | Very high | 97.3 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 153.9 | 170 | 65.2 | -177.2 | -175.7 | -173.1 | -1.3 | 110.5 | E148 L245 C246 F248 E359 | E148-R259 IonicContact OE1-NH2 2.77Å; E148-R259 IonicContact OE2-CZ 3.7Å; E148-R259 IonicContact OE2-NH2 3.98Å; E148-R259 PolarHBondContact OE2-NH2 2.78Å; L245-R259 WeakPolarHBondContact CA-O 3.33Å; C246-R259 HydrophobicContact CB-CG 3.81Å; C246-R259 PolarHBondContact N-O 2.58Å; C246-R259 PolarHBondContact O-N 2.96Å; F248-R259 HydrophobicContact CD1-CB 3.99Å; F248-R259 HydrophobicContact CD1-CG 3.74Å; F248-R259 HydrophobicContact CE1-CB 3.86Å; F248-R259 HydrophobicContact CE1-CG 4.12Å; F248-R259 HydrophobicContact CG-CG 4.43Å; R259-E359 VanDerWaalsContact CA-O 3.26Å; R259-E359 WeakPolarHBondContact CA-O 3.49Å; R259-E359 WeakPolarHBondContact CB-O 3.49Å |
| 260 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 145.3 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | E262 I264 I355 R356 G358 E359 L361 | T260-E262 WeakPolarHBondContact CG2-O 3.32Å; T260-E262 PolarHBondContact OG1-N 3.01Å; T260-E262 PolarHBondContact OG1-O 3.41Å; T260-E262 VanDerWaalsContact OG1-O 3.05Å; T260-I264 HydrophobicContact CG2-CD1 4.04Å; T260-I264 HydrophobicContact CG2-CG1 4.28Å; T260-I355 HydrophobicContact CG2-CG2 3.78Å; T260-R356 WeakPolarHBondContact CG2-O 3.04Å; T260-G358 WeakPolarHBondContact O-CA 3.26Å; T260-G358 PolarHBondContact O-N 2.78Å; T260-E359 PolarHBondContact N-O 2.93Å; T260-L361 HydrophobicContact CG2-CD2 4.37Å |
| 261 | L | 98.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -93 | -1.2 | 174.5 | -61.8 | -175.2 | 0 | 0 | 0 | 112.9 | T146 D244 C246 | T146-L261 HydrophobicContact CG2-CD1 4.16Å; D244-L261 HydrophobicContact CB-CB 4.08Å; D244-L261 HydrophobicContact CB-CD1 4.16Å; D244-L261 WeakPolarHBondContact O-CB 3.4Å; D244-L261 PolarHBondContact O-N 3.02Å; C246-L261 HydrophobicContact CB-CD1 4.48Å; C246-L261 HydrophobicContact CB-CD2 3.84Å; C246-L261 HydrophobicContact CB-CG 4.18Å |
| 262 | E | 98.2 | Very high | 97.5 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -141.1 | 174.5 | -177.8 | 61.3 | -173 | 98.9 | 0 | 0 | 111.4 | Y243 D244 T260 | Y243-E262 VanDerWaalsContact CA-OE1 3.31Å; Y243-E262 WeakPolarHBondContact CA-OE1 3.21Å; Y243-E262 HydrophobicContact CD1-CG 3.89Å; Y243-E262 HydrophobicContact CG-CG 4.34Å; D244-E262 PolarHBondContact N-OE1 3.48Å; T260-E262 WeakPolarHBondContact CG2-O 3.32Å; T260-E262 PolarHBondContact OG1-N 3.01Å; T260-E262 PolarHBondContact OG1-O 3.41Å; T260-E262 VanDerWaalsContact OG1-O 3.05Å |
| 263 | K | 98.6 | Very high | 97.7 | Very high | 141 Ų | 141 | 40.6 Ų | 40.6 | 61% | 0.613 | 20% | 0.198 | S | C | * | . | P | Polyproline II helix | trans | -79.3 | 124.7 | 178.8 | -179.6 | -174.9 | 179.3 | -179.3 | 0 | 109.8 | T354 I355 | K263-T354 HydrophobicContact CD-CG2 4.3Å; K263-T354 HydrophobicContact CG-CG2 4.04Å; K263-I355 WeakPolarHBondContact CA-O 3.09Å |
| 264 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -101.3 | 127.1 | 171.1 | -57 | 174.6 | 0 | 0 | 0 | 108.6 | Y243 T260 V270 A351 T354 I355 L361 | Y243-I264 HydrophobicContact CD1-CG1 4Å; Y243-I264 HydrophobicContact CD2-CD1 3.78Å; Y243-I264 HydrophobicContact CD2-CG1 3.92Å; Y243-I264 HydrophobicContact CE1-CG1 4.06Å; Y243-I264 HydrophobicContact CE2-CD1 4.05Å; Y243-I264 HydrophobicContact CE2-CG1 3.97Å; Y243-I264 HydrophobicContact CE2-CG2 4.01Å; Y243-I264 HydrophobicContact CG-CD1 4.1Å; Y243-I264 HydrophobicContact CG-CG1 3.94Å; T260-I264 HydrophobicContact CG2-CD1 4.04Å; T260-I264 HydrophobicContact CG2-CG1 4.28Å; I264-V270 HydrophobicContact CD1-CG1 4.07Å; I264-V270 HydrophobicContact CD1-CG2 4.23Å; I264-V270 HydrophobicContact CG2-CG2 4.06Å; I264-A351 HydrophobicContact CG2-CB 3.91Å; I264-T354 CarbonylContact O-C 3.52Å; I264-T354 WeakPolarHBondContact O-CA 3.01Å; I264-I355 HydrophobicContact CB-CB 4.16Å; I264-I355 PolarHBondContact N-O 3.1Å; I264-I355 PolarHBondContact O-N 3.15Å; I264-L361 HydrophobicContact CD1-CD2 4.29Å |
| 265 | R | 98.5 | Very high | 98.1 | Very high | 144 Ų | 144 | 35 Ų | 35 | 54% | 0.543 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 149.6 | 177.9 | -62.4 | -179.6 | -176.2 | 177.6 | 2.6 | 110.2 | S268 | R265-S268 WeakPolarHBondContact CB-OG 3.36Å; R265-S268 VanDerWaalsContact O-CB 3.31Å; R265-S268 WeakPolarHBondContact O-CB 3.39Å; R265-S268 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-OG 3.2Å |
| 266 | K | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 35.4 Ų | 35.4 | 47% | 0.474 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 142.8 | 169.9 | 177.1 | 167 | 179.7 | 170.3 | 0 | 111 | Q210 S268 T352 R353 T354 | Q210-K266 PolarHBondContact NE2-O 3.03Å; K266-S268 PolarHBondContact O-N 2.92Å; K266-T352 WeakPolarHBondContact CD-O 3.34Å; K266-T352 WeakPolarHBondContact CE-O 3.24Å; K266-T352 WeakPolarHBondContact CG-O 3.5Å; K266-R353 WeakPolarHBondContact CA-O 3.34Å; K266-T354 PolarHBondContact N-OG1 3.27Å |
| 267 | N | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 34 Ų | 34 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 17.4 | 178 | -63.8 | 6.9 | 0 | 0 | 0 | 114.9 | Q210 V211 F350 A351 | Q210-N267 CarbonylContact C-O 3.6Å; Q210-N267 WeakPolarHBondContact CA-O 3.41Å; Q210-N267 HydrophobicContact CB-CB 3.99Å; V211-N267 HydrophobicContact CG1-CB 3.85Å; V211-N267 PolarHBondContact N-O 2.82Å; V211-N267 VanDerWaalsContact O-CB 3.28Å; V211-N267 WeakPolarHBondContact O-CB 3.06Å; V211-N267 PolarHBondContact O-ND2 2.77Å; N267-F350 WeakPolarHBondContact O-CD1 3.42Å; N267-A351 WeakPolarHBondContact CA-O 3.44Å; N267-A351 PolarHBondContact N-O 3.19Å |
| 268 | S | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 8% | 0.077 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -89.6 | 142.6 | 177.1 | -46.8 | 0 | 0 | 0 | 0 | 110.6 | Y243 R265 K266 F350 A351 | Y243-S268 VanDerWaalsContact OH-CB 3.3Å; Y243-S268 WeakPolarHBondContact OH-CB 3.49Å; R265-S268 WeakPolarHBondContact CB-OG 3.36Å; R265-S268 VanDerWaalsContact O-CB 3.31Å; R265-S268 WeakPolarHBondContact O-CB 3.39Å; R265-S268 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-OG 3.2Å; K266-S268 PolarHBondContact O-N 2.92Å; S268-F350 VanDerWaalsContact C-CD1 3.48Å; S268-F350 WeakPolarHBondContact O-CA 3.26Å; S268-A351 PolarHBondContact O-N 2.78Å |
| 269 | F | 98.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 137.5 | 169.9 | 171.3 | -114.3 | 0 | 0 | 0 | 110.2 | V236 V237 Y243 M271 E272 A348 F350 | V236-F269 HydrophobicContact CG1-CB 3.69Å; V236-F269 HydrophobicContact CG1-CG 4.38Å; V237-F269 HydrophobicContact CB-CD2 4.44Å; V237-F269 HydrophobicContact CB-CE2 4.21Å; V237-F269 HydrophobicContact CB-CZ 4.37Å; V237-F269 HydrophobicContact CG1-CE2 3.84Å; V237-F269 HydrophobicContact CG1-CZ 3.96Å; V237-F269 HydrophobicContact CG2-CD2 3.8Å; V237-F269 HydrophobicContact CG2-CE2 3.97Å; V237-F269 HydrophobicContact CG2-CG 4.27Å; Y243-F269 VanDerWaalsContact CE2-O 3.22Å; Y243-F269 WeakPolarHBondContact CE2-O 3.47Å; F269-M271 VanDerWaalsContact CE2-C 3.43Å; F269-M271 VanDerWaalsContact CE2-O 3.23Å; F269-M271 WeakPolarHBondContact CE2-O 3.34Å; F269-E272 HydrophobicContact CE2-CG 3.93Å; F269-E272 HydrophobicContact CZ-CG 3.91Å; F269-A348 HydrophobicContact CD2-CB 4.19Å; F269-A348 HydrophobicContact CE2-CB 3.95Å; F269-F350 VanDerWaalsContact CA-CD1 3.5Å; F269-F350 HydrophobicContact CB-CD1 4.02Å; F269-F350 HydrophobicContact CB-CE1 3.55Å; F269-F350 HydrophobicContact CB-CE2 4.45Å; F269-F350 HydrophobicContact CB-CZ 3.79Å; F269-F350 HydrophobicContact CD2-CE2 4.08Å; F269-F350 HydrophobicContact CD2-CZ 4.12Å; F269-F350 HydrophobicContact CG-CZ 4.38Å |
| 270 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -55.9 | -176.9 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | I264 L330 F349 A351 L361 | I264-V270 HydrophobicContact CD1-CG1 4.07Å; I264-V270 HydrophobicContact CD1-CG2 4.23Å; I264-V270 HydrophobicContact CG2-CG2 4.06Å; V270-L330 HydrophobicContact CB-CD2 4.06Å; V270-L330 HydrophobicContact CG1-CD2 4.25Å; V270-L330 HydrophobicContact CG2-CD2 3.67Å; V270-F349 PolarHBondContact N-O 2.71Å; V270-A351 HydrophobicContact CG2-CB 4.25Å; V270-L361 HydrophobicContact CG1-CD1 3.87Å |
| 271 | M | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 171.9 | -179.6 | 67.5 | -173.4 | 78.4 | 0 | 0 | 110.5 | I241 L245 V258 F269 I318 V322 F349 L361 | I241-M271 HydrophobicContact CD1-CB 3.59Å; I241-M271 HydrophobicContact CG1-CB 3.8Å; L245-M271 HydrophobicContact CD1-CE 3.64Å; V258-M271 HydrophobicContact CG1-CE 4.37Å; F269-M271 VanDerWaalsContact CE2-C 3.43Å; F269-M271 VanDerWaalsContact CE2-O 3.23Å; F269-M271 WeakPolarHBondContact CE2-O 3.34Å; M271-I318 HydrophobicContact CE-CG2 4.31Å; M271-I318 HydrophobicContact SD-CG2 3.82Å; M271-V322 HydrophobicContact CE-CG2 4.19Å; M271-V322 HydrophobicContact SD-CG2 3.8Å; M271-F349 HydrophobicContact CG-CB 4.32Å; M271-F349 HydrophobicContact CG-CD2 3.63Å; M271-F349 HydrophobicContact CG-CE2 4.46Å; M271-F349 HydrophobicContact CG-CG 4.41Å; M271-F349 PolarHBondContact O-N 3.44Å; M271-F349 HydrophobicContact SD-CD2 4.19Å; M271-L361 HydrophobicContact CE-CD1 3.54Å |
| 272 | E | 98.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 42 Ų | 42 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 156.4 | 170.1 | -70.6 | 173.2 | 89.6 | 0 | 0 | 111.2 | V237 F269 V274 N317 S319 R346 I347 A348 | V237-E272 VanDerWaalsContact CG1-CD 3.49Å; V237-E272 HydrophobicContact CG1-CG 3.72Å; F269-E272 HydrophobicContact CE2-CG 3.93Å; F269-E272 HydrophobicContact CZ-CG 3.91Å; E272-V274 HydrophobicContact CB-CG2 3.88Å; E272-N317 PolarHBondContact O-ND2 2.88Å; E272-N317 PolarHBondContact O-OD1 2.74Å; E272-S319 WeakPolarHBondContact O-CB 3.23Å; E272-R346 IonicContact OE1-CZ 3.61Å; E272-R346 IonicContact OE1-NE 3.37Å; E272-R346 PolarHBondContact OE1-NE 2.81Å; E272-R346 IonicContact OE1-NH2 2.77Å; E272-R346 PolarHBondContact OE1-NH2 2.67Å; E272-R346 IonicContact OE2-CZ 2.93Å; E272-R346 IonicContact OE2-NH2 3.32Å; E272-R346 PolarHBondContact OE2-NH2 2.82Å; E272-I347 CarbonylContact C-O 3.56Å; E272-I347 WeakPolarHBondContact CA-O 3.38Å; E272-I347 WeakPolarHBondContact CB-O 3.47Å; E272-A348 HydrophobicContact CG-CB 4.45Å |
| 273 | Y | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.8 | 164.9 | -163.8 | -87.5 | 0 | 0 | 0 | 109.8 | Y166 Y297 F299 V310 A312 S319 I347 F349 M379 | Y166-Y273 VanDerWaalsContact CE1-O 3.24Å; Y166-Y273 WeakPolarHBondContact CE1-O 3.28Å; Y166-Y273 PolarHBondContact OH-O 3.09Å; Y166-Y273 VanDerWaalsContact OH-O 3.09Å; Y273-Y297 PolarHBondContact OH-O 2.76Å; Y273-F299 HydrophobicContact CD1-CB 3.92Å; Y273-F299 HydrophobicContact CD1-CD2 4.24Å; Y273-F299 HydrophobicContact CD1-CG 4.19Å; Y273-F299 HydrophobicContact CE1-CB 3.59Å; Y273-F299 HydrophobicContact CE1-CD2 4.37Å; Y273-F299 HydrophobicContact CE1-CG 4.28Å; Y273-F299 HydrophobicContact CG-CD2 4.32Å; Y273-V310 HydrophobicContact CD1-CB 4.36Å; Y273-V310 HydrophobicContact CD1-CG1 3.9Å; Y273-V310 HydrophobicContact CE1-CB 4.39Å; Y273-V310 HydrophobicContact CE1-CG1 3.96Å; Y273-A312 HydrophobicContact CE1-CB 3.83Å; Y273-A312 WeakPolarHBondContact OH-CB 3.44Å; Y273-S319 WeakPolarHBondContact CA-OG 3.42Å; Y273-S319 WeakPolarHBondContact CD2-OG 3.35Å; Y273-I347 PolarHBondContact N-O 2.97Å; Y273-F349 HydrophobicContact CD2-CE2 4.17Å; Y273-F349 AromaticContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CG-CZ 4.29Å; Y273-M379 HydrophobicContact CE2-CE 4.5Å |
| 274 | V | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | trans | -122.7 | 139 | -172.7 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | I163 E165 Y166 E272 G316 N317 | I163-V274 HydrophobicContact CD1-CG1 3.71Å; I163-V274 HydrophobicContact CG1-CG1 3.91Å; E165-V274 VanDerWaalsContact O-CG1 3.29Å; E165-V274 WeakPolarHBondContact O-CG1 3.36Å; Y166-V274 HydrophobicContact CD1-CG1 4.14Å; E272-V274 HydrophobicContact CB-CG2 3.88Å; V274-G316 VanDerWaalsContact O-CA 3.24Å; V274-G316 WeakPolarHBondContact O-CA 3.42Å; V274-N317 HydrophobicContact CB-CB 4.2Å; V274-N317 WeakPolarHBondContact CG2-ND2 3.49Å | ||
| 275 | G | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -163.6 | -160.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R167 V310 D311 Y315 | R167-G275 PolarHBondContact N-O 3.02Å; G275-V310 VanDerWaalsContact N-CG1 3.31Å; G275-D311 WeakPolarHBondContact CA-O 3.14Å; G275-Y315 VanDerWaalsContact CA-O 3.26Å; G275-Y315 WeakPolarHBondContact CA-O 3.24Å | ||
| 276 | E | 97.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.5 | 166.9 | -172.5 | 174.4 | -125 | 0 | 0 | 109.8 | R167 I278 R286 V310 D311 | R167-E276 HydrophobicContact CB-CB 4.48Å; R167-E276 IonicContact NH1-OE1 2.69Å; R167-E276 CarbonylContact O-C 3.59Å; R167-E276 VanDerWaalsContact O-CA 3.23Å; R167-E276 WeakPolarHBondContact O-CA 3.39Å; E276-I278 HydrophobicContact CG-CG2 3.95Å; E276-R286 IonicContact OE2-CZ 3.89Å; E276-R286 VanDerWaalsContact OE2-CZ 3.28Å; E276-R286 IonicContact OE2-NH1 3.22Å; E276-R286 PolarHBondContact OE2-NH1 2.88Å; E276-R286 IonicContact OE2-NH2 2.86Å; E276-R286 PolarHBondContact OE2-NH2 3.38Å; E276-V310 CarbonylContact O-C 3.37Å; E276-V310 WeakPolarHBondContact O-CA 3.39Å; E276-D311 PolarHBondContact N-O 2.78Å; E276-D311 PolarHBondContact O-N 3.14Å |
| 277 | I | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.1 | 170.9 | -54.3 | 179.5 | 0 | 0 | 0 | 107.6 | Y166 R167 G169 I172 Y308 T309 L344 | Y166-I277 HydrophobicContact CD1-CD1 4.34Å; Y166-I277 HydrophobicContact CD1-CG1 4.04Å; Y166-I277 HydrophobicContact CD2-CD1 3.69Å; Y166-I277 HydrophobicContact CD2-CG1 4.29Å; Y166-I277 HydrophobicContact CE2-CD1 4.39Å; Y166-I277 HydrophobicContact CG-CD1 3.69Å; Y166-I277 HydrophobicContact CG-CG1 3.85Å; R167-I277 PolarHBondContact O-N 3.05Å; G169-I277 WeakPolarHBondContact CA-O 3.19Å; G169-I277 PolarHBondContact N-O 3.46Å; I172-I277 HydrophobicContact CD1-CB 4.46Å; I172-I277 HydrophobicContact CD1-CG2 3.85Å; I172-I277 WeakPolarHBondContact CD1-O 3.22Å; I172-I277 HydrophobicContact CG2-CG2 4.44Å; I277-Y308 HydrophobicContact CG2-CD1 4.42Å; I277-Y308 HydrophobicContact CG2-CG 4.43Å; I277-T309 WeakPolarHBondContact CA-O 3.34Å; I277-L344 HydrophobicContact CD1-CD2 4.15Å; I277-L344 HydrophobicContact CG2-CD2 3.69Å |
| 278 | I | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 165.8 | 177.3 | 56.8 | 177.1 | 0 | 0 | 0 | 109.6 | E276 E282 A283 L298 Y308 T309 D311 | E276-I278 HydrophobicContact CG-CG2 3.95Å; I278-E282 HydrophobicContact CB-CB 4.16Å; I278-E282 HydrophobicContact CB-CG 3.94Å; I278-E282 HydrophobicContact CD1-CB 4.49Å; I278-E282 HydrophobicContact CD1-CG 4.08Å; I278-E282 HydrophobicContact CG2-CG 4.09Å; I278-A283 HydrophobicContact CD1-CB 3.81Å; I278-A283 HydrophobicContact CG1-CB 4.22Å; I278-L298 HydrophobicContact CD1-CD2 4.28Å; I278-Y308 CarbonylContact O-C 3.59Å; I278-Y308 VanDerWaalsContact O-CA 3.3Å; I278-Y308 WeakPolarHBondContact O-CA 3.38Å; I278-T309 WeakPolarHBondContact CG1-O 3.39Å; I278-T309 PolarHBondContact N-O 2.87Å; I278-T309 PolarHBondContact O-N 3.13Å; I278-D311 HydrophobicContact CD1-CB 3.72Å; I278-D311 HydrophobicContact CG1-CB 4.28Å |
| 279 | T | 94.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 38 Ų | 38 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 153.8 | 170.9 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | E281 E282 A283 V307 Y308 | T279-E281 PolarHBondContact O-N 3.24Å; T279-E282 PolarHBondContact O-N 3.3Å; T279-E282 WeakPolarHBondContact OG1-CB 3.45Å; T279-E282 PolarHBondContact OG1-N 3.22Å; T279-A283 PolarHBondContact O-N 2.88Å; T279-V307 WeakPolarHBondContact CA-O 3.42Å; T279-Y308 HydrophobicContact CG2-CE1 4.45Å |
| 280 | S | 90.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.6 | -30.1 | 175.3 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | A283 E284 D306 V307 Y308 | S280-A283 WeakPolarHBondContact O-CB 3.33Å; S280-A283 PolarHBondContact O-N 2.86Å; S280-E284 PolarHBondContact O-N 3Å; S280-D306 WeakPolarHBondContact CB-OD1 3.43Å; S280-D306 PolarHBondContact OG-O 3.2Å; S280-D306 PolarHBondContact OG-OD1 2.81Å; S280-V307 PolarHBondContact N-O 2.83Å; S280-V307 PolarHBondContact OG-O 2.87Å; S280-Y308 PolarHBondContact OG-N 3.02Å |
| 281 | E | 91.5 | Very high | 91.6 | Very high | 164 Ų | 164 | 42.7 Ų | 42.7 | 77% | 0.766 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -63.2 | -45.5 | 172.4 | -176.8 | -176.7 | -177.2 | 0 | 0 | 112.5 | T279 A283 E284 R285 | T279-E281 PolarHBondContact O-N 3.24Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-E284 PolarHBondContact O-N 2.8Å; E281-R285 PolarHBondContact O-N 3.24Å; E281-R285 VanDerWaalsContact O-N 3.11Å |
| 282 | E | 93.3 | Very high | 90.4 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -34 | 176.8 | 174.7 | 60.7 | -174.1 | 0 | 0 | 111.1 | I278 T279 R285 R286 | I278-E282 HydrophobicContact CB-CB 4.16Å; I278-E282 HydrophobicContact CB-CG 3.94Å; I278-E282 HydrophobicContact CD1-CB 4.49Å; I278-E282 HydrophobicContact CD1-CG 4.08Å; I278-E282 HydrophobicContact CG2-CG 4.09Å; T279-E282 PolarHBondContact O-N 3.3Å; T279-E282 WeakPolarHBondContact OG1-CB 3.45Å; T279-E282 PolarHBondContact OG1-N 3.22Å; E282-R285 PolarHBondContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.18Å; E282-R285 IonicContact OE1-NE 3.58Å; E282-R285 IonicContact OE1-NH2 3.5Å; E282-R285 PolarHBondContact OE1-NH2 2.83Å; E282-R285 IonicContact OE2-CZ 2.7Å; E282-R285 IonicContact OE2-NE 2.65Å; E282-R285 PolarHBondContact OE2-NE 3.17Å; E282-R285 IonicContact OE2-NH2 3.71Å; E282-R285 PolarHBondContact OE2-NH2 3.47Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.89Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NE 2.89Å; E282-R286 PolarHBondContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH2 2.78Å; E282-R286 PolarHBondContact OE1-NH2 2.95Å |
| 283 | A | 92.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I278 T279 S280 E281 R285 R286 G287 L298 T309 | I278-A283 HydrophobicContact CD1-CB 3.81Å; I278-A283 HydrophobicContact CG1-CB 4.22Å; T279-A283 PolarHBondContact O-N 2.88Å; S280-A283 WeakPolarHBondContact O-CB 3.33Å; S280-A283 PolarHBondContact O-N 2.86Å; E281-A283 VanDerWaalsContact C-N 3.31Å; A283-R285 VanDerWaalsContact C-N 3.33Å; A283-R285 PolarHBondContact O-N 2.64Å; A283-R286 CarbonylContact O-C 3.58Å; A283-R286 PolarHBondContact O-N 3.3Å; A283-G287 WeakPolarHBondContact O-CA 3.26Å; A283-G287 PolarHBondContact O-N 3.23Å; A283-L298 HydrophobicContact CB-CD1 4.35Å; A283-L298 HydrophobicContact CB-CD2 4.3Å; A283-L298 WeakPolarHBondContact O-CD1 3.23Å; A283-T309 HydrophobicContact CB-CG2 3.75Å; A283-T309 WeakPolarHBondContact CB-OG1 3.34Å |
| 284 | E | 89.6 | Confident | 87.9 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 174.8 | 173.1 | 57.1 | -141.7 | 0 | 0 | 111.2 | S280 E281 R286 G287 Q288 | S280-E284 PolarHBondContact O-N 3Å; E281-E284 PolarHBondContact O-N 2.8Å; E284-R286 VanDerWaalsContact C-N 3.33Å; E284-R286 PolarHBondContact O-N 3.35Å; E284-G287 PolarHBondContact O-N 3.02Å; E284-Q288 WeakPolarHBondContact O-CG 3.39Å; E284-Q288 PolarHBondContact O-N 3.47Å; E284-Q288 PolarHBondContact OE1-NE2 3.47Å |
| 285 | R | 92.2 | Very high | 86.8 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 177.6 | -166 | -166.4 | 67.8 | 73.3 | 1.3 | 112.3 | E281 E282 A283 | E281-R285 PolarHBondContact O-N 3.24Å; E281-R285 VanDerWaalsContact O-N 3.11Å; E282-R285 PolarHBondContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.18Å; E282-R285 IonicContact OE1-NE 3.58Å; E282-R285 IonicContact OE1-NH2 3.5Å; E282-R285 PolarHBondContact OE1-NH2 2.83Å; E282-R285 IonicContact OE2-CZ 2.7Å; E282-R285 IonicContact OE2-NE 2.65Å; E282-R285 PolarHBondContact OE2-NE 3.17Å; E282-R285 IonicContact OE2-NH2 3.71Å; E282-R285 PolarHBondContact OE2-NH2 3.47Å; A283-R285 VanDerWaalsContact C-N 3.33Å; A283-R285 PolarHBondContact O-N 2.64Å |
| 286 | R | 91.6 | Very high | 86 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.5 | -37.2 | 176.9 | -69.5 | -175.3 | -172.2 | -170.2 | 8.6 | 112.2 | E276 E282 A283 E284 Q288 I289 Y290 D311 | E276-R286 IonicContact OE2-CZ 3.89Å; E276-R286 VanDerWaalsContact OE2-CZ 3.28Å; E276-R286 IonicContact OE2-NH1 3.22Å; E276-R286 PolarHBondContact OE2-NH1 2.88Å; E276-R286 IonicContact OE2-NH2 2.86Å; E276-R286 PolarHBondContact OE2-NH2 3.38Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.89Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NE 2.89Å; E282-R286 PolarHBondContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH2 2.78Å; E282-R286 PolarHBondContact OE1-NH2 2.95Å; A283-R286 CarbonylContact O-C 3.58Å; A283-R286 PolarHBondContact O-N 3.3Å; E284-R286 VanDerWaalsContact C-N 3.33Å; E284-R286 PolarHBondContact O-N 3.35Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 2.77Å; R286-I289 WeakPolarHBondContact O-CA 3.19Å; R286-I289 VanDerWaalsContact O-CB 3.28Å; R286-I289 WeakPolarHBondContact O-CB 3.29Å; R286-I289 PolarHBondContact O-N 3.29Å; R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CB-CE2 3.72Å; R286-Y290 PolarHBondContact O-N 3.41Å; R286-Y290 VanDerWaalsContact O-N 3.12Å; R286-D311 WeakPolarHBondContact CD-OD2 3.5Å; R286-D311 IonicContact CZ-OD2 3.45Å; R286-D311 IonicContact NE-OD2 3.69Å; R286-D311 IonicContact NH1-OD2 3.23Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å |
| 287 | G | 85.4 | Confident | 85.6 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.9 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A283 E284 I289 Y290 D291 | A283-G287 WeakPolarHBondContact O-CA 3.26Å; A283-G287 PolarHBondContact O-N 3.23Å; E284-G287 PolarHBondContact O-N 3.02Å; G287-I289 PolarHBondContact O-N 3.09Å; G287-Y290 CarbonylContact O-C 3.58Å; G287-Y290 PolarHBondContact O-N 3.46Å; G287-D291 WeakPolarHBondContact O-CB 3.28Å; G287-D291 VanDerWaalsContact O-CG 3.23Å; G287-D291 PolarHBondContact O-N 3.02Å |
| 288 | Q | 83 | Confident | 85.3 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -23.9 | 174.2 | -66.6 | 173.5 | 19.8 | 0 | 0 | 114.4 | E284 R286 R292 | E284-Q288 WeakPolarHBondContact O-CG 3.39Å; E284-Q288 PolarHBondContact O-N 3.47Å; E284-Q288 PolarHBondContact OE1-NE2 3.47Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 2.77Å; Q288-R292 PolarHBondContact O-NE 3.43Å |
| 289 | I | 84.4 | Confident | 85.1 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 33% | 0.328 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -84.3 | -43.1 | 173.3 | -56.2 | 171.4 | 0 | 0 | 0 | 109.9 | R286 G287 R292 Q293 | R286-I289 WeakPolarHBondContact O-CA 3.19Å; R286-I289 VanDerWaalsContact O-CB 3.28Å; R286-I289 WeakPolarHBondContact O-CB 3.29Å; R286-I289 PolarHBondContact O-N 3.29Å; G287-I289 PolarHBondContact O-N 3.09Å; I289-R292 PolarHBondContact O-N 3.12Å; I289-Q293 WeakPolarHBondContact O-CG 3.1Å; I289-Q293 PolarHBondContact O-N 3.03Å |
| 290 | Y | 83.9 | Confident | 84.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | -178.9 | -58.3 | -29.7 | 0 | 0 | 0 | 113.3 | R286 G287 R292 Q293 G294 A295 L298 D311 A313 | R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CB-CE2 3.72Å; R286-Y290 PolarHBondContact O-N 3.41Å; R286-Y290 VanDerWaalsContact O-N 3.12Å; G287-Y290 CarbonylContact O-C 3.58Å; G287-Y290 PolarHBondContact O-N 3.46Å; Y290-R292 VanDerWaalsContact C-N 3.26Å; Y290-R292 PolarHBondContact O-N 2.94Å; Y290-Q293 CarbonylContact O-C 3.18Å; Y290-Q293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q293 WeakPolarHBondContact O-CB 3.47Å; Y290-Q293 PolarHBondContact O-N 3.06Å; Y290-G294 PolarHBondContact O-N 2.94Å; Y290-A295 PolarHBondContact O-N 3Å; Y290-A295 VanDerWaalsContact O-N 3.13Å; Y290-L298 HydrophobicContact CD2-CD1 4.2Å; Y290-L298 HydrophobicContact CD2-CD2 4.37Å; Y290-L298 HydrophobicContact CD2-CG 4.1Å; Y290-L298 HydrophobicContact CE2-CD2 4.06Å; Y290-L298 HydrophobicContact CE2-CG 4.3Å; Y290-D311 PolarHBondContact OH-OD2 2.97Å; Y290-D311 VanDerWaalsContact OH-OD2 3.05Å; Y290-A313 HydrophobicContact CE1-CB 3.98Å; Y290-A313 HydrophobicContact CE2-CB 4.1Å; Y290-A313 WeakPolarHBondContact OH-CB 3.34Å |
| 291 | D | 73.9 | Confident | 84.8 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -55.6 | -42.8 | 173.5 | -72.2 | -1.2 | 0 | 0 | 0 | 111.8 | G287 Q293 G294 F383 | G287-D291 WeakPolarHBondContact O-CB 3.28Å; G287-D291 VanDerWaalsContact O-CG 3.23Å; G287-D291 PolarHBondContact O-N 3.02Å; D291-Q293 PolarHBondContact O-N 3.36Å; D291-G294 PolarHBondContact O-N 2.84Å; D291-F383 HydrophobicContact CB-CE2 4.48Å; D291-F383 WeakPolarHBondContact OD1-CD2 3.2Å; D291-F383 WeakPolarHBondContact OD1-CE2 3.17Å |
| 292 | R | 72.4 | Confident | 84.4 | Confident | 199 Ų | 199 | 55.1 Ų | 55.1 | 75% | 0.751 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -67 | -21.3 | 177 | -71.4 | -176.3 | -76.8 | 167 | -6.8 | 112.7 | Q288 I289 Y290 | Q288-R292 PolarHBondContact O-NE 3.43Å; I289-R292 PolarHBondContact O-N 3.12Å; Y290-R292 VanDerWaalsContact C-N 3.26Å; Y290-R292 PolarHBondContact O-N 2.94Å |
| 293 | Q | 73 | Confident | 83.9 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 65% | 0.65 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -98.2 | -7.4 | 178.4 | -62.7 | 177.1 | 12.7 | 0 | 0 | 112.5 | I289 Y290 D291 A295 | I289-Q293 WeakPolarHBondContact O-CG 3.1Å; I289-Q293 PolarHBondContact O-N 3.03Å; Y290-Q293 CarbonylContact O-C 3.18Å; Y290-Q293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q293 WeakPolarHBondContact O-CB 3.47Å; Y290-Q293 PolarHBondContact O-N 3.06Å; D291-Q293 PolarHBondContact O-N 3.36Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 HydrophobicContact CB-CB 4.39Å |
| 294 | G | 70.5 | Confident | 83.5 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 44% | 0.443 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 32.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y290 D291 | Y290-G294 PolarHBondContact O-N 2.94Å; D291-G294 PolarHBondContact O-N 2.84Å |
| 295 | A | 74.3 | Confident | 83.2 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | trans | -114 | 138 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y290 Q293 Y297 F383 | Y290-A295 PolarHBondContact O-N 3Å; Y290-A295 VanDerWaalsContact O-N 3.13Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 HydrophobicContact CB-CB 4.39Å; A295-Y297 HydrophobicContact CB-CD2 4.08Å; A295-Y297 HydrophobicContact CB-CE2 3.55Å; A295-F383 WeakPolarHBondContact O-CE2 3.42Å | ||
| 296 | T | 80.5 | Confident | 82.8 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | trans | -126.9 | 95.1 | -172.3 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | Y365 M379 F383 F412 | T296-Y365 VanDerWaalsContact OG1-CE2 3.3Å; T296-Y365 WeakPolarHBondContact OG1-CE2 3.46Å; T296-M379 WeakPolarHBondContact O-CE 3.27Å; T296-F383 HydrophobicContact CG2-CD1 4.39Å; T296-F383 HydrophobicContact CG2-CD2 4Å; T296-F383 HydrophobicContact CG2-CE1 4.23Å; T296-F383 HydrophobicContact CG2-CE2 3.8Å; T296-F383 HydrophobicContact CG2-CG 4.28Å; T296-F383 HydrophobicContact CG2-CZ 3.92Å; T296-F412 HydrophobicContact CG2-CE2 3.42Å; T296-F412 VanDerWaalsContact CG2-CE2 3.42Å; T296-F412 HydrophobicContact CG2-CZ 3.43Å; T296-F412 VanDerWaalsContact CG2-CZ 3.43Å | ||
| 297 | Y | 89 | Confident | 82.7 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 26% | 0.255 | 28% | 0.284 | S | S | . | . | trans | -128.4 | -3.3 | -177.8 | -53.6 | -61.5 | 0 | 0 | 0 | 113.9 | Y273 A295 A312 A313 H320 | Y273-Y297 PolarHBondContact OH-O 2.76Å; A295-Y297 HydrophobicContact CB-CD2 4.08Å; A295-Y297 HydrophobicContact CB-CE2 3.55Å; Y297-A312 PolarHBondContact O-N 3.31Å; Y297-A313 HydrophobicContact CD2-CB 3.52Å; Y297-A313 HydrophobicContact CE2-CB 4.32Å; Y297-A313 HydrophobicContact CG-CB 4.03Å; Y297-H320 AromaticContact CD1-CE1 3.6Å; Y297-H320 AromaticContact CD1-ND1 3.65Å; Y297-H320 AromaticContact CE1-CE1 3.22Å; Y297-H320 WeakPolarHBondContact CE1-CE1 3.3Å; Y297-H320 AromaticContact CE1-ND1 3.69Å; Y297-H320 AromaticContact CE1-NE2 3.65Å; Y297-H320 AromaticContact CZ-CE1 3.59Å; Y297-H320 AromaticContact CZ-NE2 3.98Å | ||
| 298 | L | 90.6 | Very high | 83.1 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.2 | 177 | -62.1 | 178.9 | 0 | 0 | 0 | 109.5 | I278 A283 Y290 T309 V310 D311 M379 D380 | I278-L298 HydrophobicContact CD1-CD2 4.28Å; A283-L298 HydrophobicContact CB-CD1 4.35Å; A283-L298 HydrophobicContact CB-CD2 4.3Å; A283-L298 WeakPolarHBondContact O-CD1 3.23Å; Y290-L298 HydrophobicContact CD2-CD1 4.2Å; Y290-L298 HydrophobicContact CD2-CD2 4.37Å; Y290-L298 HydrophobicContact CD2-CG 4.1Å; Y290-L298 HydrophobicContact CE2-CD2 4.06Å; Y290-L298 HydrophobicContact CE2-CG 4.3Å; L298-T309 HydrophobicContact CB-CG2 3.87Å; L298-T309 HydrophobicContact CD2-CG2 4.05Å; L298-T309 HydrophobicContact CG-CG2 4.49Å; L298-V310 CarbonylContact C-O 3.59Å; L298-V310 WeakPolarHBondContact CA-O 3.3Å; L298-D311 HydrophobicContact CD2-CB 3.75Å; L298-M379 WeakPolarHBondContact O-CG 3.34Å; L298-D380 HydrophobicContact CB-CB 4.39Å |
| 299 | F | 90.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 112.3 | 177.6 | -168.1 | -65.8 | 0 | 0 | 0 | 108.7 | Y273 L301 T309 V310 V332 I347 F363 M367 T377 | Y273-F299 HydrophobicContact CD1-CB 3.92Å; Y273-F299 HydrophobicContact CD1-CD2 4.24Å; Y273-F299 HydrophobicContact CD1-CG 4.19Å; Y273-F299 HydrophobicContact CE1-CB 3.59Å; Y273-F299 HydrophobicContact CE1-CD2 4.37Å; Y273-F299 HydrophobicContact CE1-CG 4.28Å; Y273-F299 HydrophobicContact CG-CD2 4.32Å; F299-L301 HydrophobicContact CD1-CD2 4.47Å; F299-T309 CarbonylContact O-C 3.59Å; F299-T309 WeakPolarHBondContact O-CA 3.39Å; F299-T309 WeakPolarHBondContact O-CG2 3.3Å; F299-V310 HydrophobicContact CB-CB 4.36Å; F299-V310 PolarHBondContact N-O 2.99Å; F299-V310 PolarHBondContact O-N 2.92Å; F299-V332 HydrophobicContact CE2-CG2 4.48Å; F299-V332 HydrophobicContact CZ-CG1 3.98Å; F299-V332 HydrophobicContact CZ-CG2 4.33Å; F299-I347 HydrophobicContact CD1-CD1 4.42Å; F299-I347 HydrophobicContact CD1-CG1 4.13Å; F299-I347 HydrophobicContact CE1-CD1 3.84Å; F299-I347 HydrophobicContact CE1-CG1 3.92Å; F299-I347 HydrophobicContact CE1-CG2 3.96Å; F299-I347 HydrophobicContact CE2-CG2 4.17Å; F299-I347 HydrophobicContact CZ-CG2 3.8Å; F299-F363 HydrophobicContact CE2-CE2 4.3Å; F299-M367 HydrophobicContact CE2-SD 3.86Å; F299-M367 HydrophobicContact CZ-CE 4.3Å; F299-M367 HydrophobicContact CZ-SD 3.49Å; F299-M367 WeakPolarHBondContact CZ-SD 3.3Å; F299-T377 HydrophobicContact CE1-CG2 3.96Å |
| 300 | D | 90.2 | Very high | 84.1 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.2 | -174.3 | -61.2 | -32.2 | 0 | 0 | 0 | 110.8 | D302 T309 R378 D380 | D300-D302 PolarHBondContact O-N 3.03Å; D300-T309 VanDerWaalsContact OD1-CG2 3.23Å; D300-T309 WeakPolarHBondContact OD1-CG2 3.48Å; D300-T309 PolarHBondContact OD1-OG1 3.19Å; D300-R378 PolarHBondContact N-O 3.18Å; D300-D380 WeakPolarHBondContact OD2-CA 3.44Å; D300-D380 WeakPolarHBondContact OD2-CB 3.4Å |
| 301 | L | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -93.8 | 46.6 | 179.2 | -58 | -177.4 | 0 | 0 | 0 | 110.8 | F299 Y303 Y308 V310 L344 P345 I347 | F299-L301 HydrophobicContact CD1-CD2 4.47Å; L301-Y303 PolarHBondContact O-N 2.98Å; L301-Y308 VanDerWaalsContact CB-O 3.28Å; L301-Y308 WeakPolarHBondContact CB-O 3.15Å; L301-Y308 PolarHBondContact N-O 2.83Å; L301-V310 HydrophobicContact CD1-CG2 3.91Å; L301-V310 HydrophobicContact CD2-CG2 3.78Å; L301-V310 HydrophobicContact CG-CG2 4.02Å; L301-L344 HydrophobicContact CD1-CD2 4.22Å; L301-P345 HydrophobicContact CB-CG 4.45Å; L301-P345 HydrophobicContact CD2-CG 4.25Å; L301-I347 HydrophobicContact CD2-CD1 3.65Å; L301-I347 HydrophobicContact CD2-CG1 3.63Å | ||
| 302 | D | 83.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 25 | -172.1 | 71.9 | 3.3 | 0 | 0 | 0 | 114.6 | D300 V304 D306 T377 | D300-D302 PolarHBondContact O-N 3.03Å; D302-V304 VanDerWaalsContact C-N 3.28Å; D302-V304 PolarHBondContact O-N 3.19Å; D302-D306 HydrophobicContact CB-CB 4.28Å; D302-T377 WeakPolarHBondContact OD1-CA 3.5Å; D302-T377 PolarHBondContact OD1-N 2.78Å; D302-T377 VanDerWaalsContact OD1-N 3.13Å |
| 303 | Y | 82.1 | Confident | 86.7 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -38.4 | -178.2 | 175 | -112.3 | 0 | 0 | 0 | 112.9 | P218 L301 N334 F336 E342 | P218-Y303 HydrophobicContact CB-CE1 4.39Å; P218-Y303 HydrophobicContact CB-CE2 4.47Å; P218-Y303 VanDerWaalsContact CD-OH 3.27Å; P218-Y303 WeakPolarHBondContact CD-OH 3.31Å; P218-Y303 WeakPolarHBondContact CG-OH 3.5Å; L301-Y303 PolarHBondContact O-N 2.98Å; Y303-N334 HydrophobicContact CD2-CB 4.29Å; Y303-N334 WeakPolarHBondContact CD2-ND2 3.15Å; Y303-N334 HydrophobicContact CG-CB 4.32Å; Y303-F336 HydrophobicContact CD1-CE2 4.25Å; Y303-F336 AromaticContact CD1-CZ 3.87Å; Y303-F336 HydrophobicContact CD1-CZ 3.87Å; Y303-F336 AromaticContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CZ 4.01Å; Y303-E342 HydrophobicContact CD1-CB 4.26Å; Y303-E342 HydrophobicContact CE1-CB 4.32Å; Y303-E342 HydrophobicContact CE1-CG 4.47Å |
| 304 | V | 84.6 | Confident | 87.7 | Confident | 65 Ų | 65 | 34.4 Ų | 34.4 | 39% | 0.394 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -120.6 | -42.9 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | D302 E342 R343 | D302-V304 VanDerWaalsContact C-N 3.28Å; D302-V304 PolarHBondContact O-N 3.19Å; V304-E342 HydrophobicContact CB-CB 4.48Å; V304-E342 HydrophobicContact CG1-CB 3.68Å; V304-E342 WeakPolarHBondContact CG1-OE2 3.48Å; V304-E342 HydrophobicContact CG2-CB 3.93Å; V304-R343 HydrophobicContact CG2-CB 4.36Å; V304-R343 HydrophobicContact CG2-CG 3.67Å |
| 305 | E | 82.2 | Confident | 89 | Confident | 113 Ų | 113 | 35 Ų | 35 | 53% | 0.528 | 17% | 0.173 | S | C | . | . | trans | -148.6 | 141.6 | -177.7 | -63.9 | -179.6 | 173 | 0 | 0 | 109 | V307 | E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 HydrophobicContact CB-CG2 3.66Å; E305-V307 PolarHBondContact O-N 2.93Å | ||
| 306 | D | 83.7 | Confident | 90.1 | Very high | 97 Ų | 97 | 34.4 Ų | 34.4 | 52% | 0.519 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -79.2 | 78.4 | 173.7 | 179.8 | 14.4 | 0 | 0 | 0 | 110.4 | S280 D302 | S280-D306 WeakPolarHBondContact CB-OD1 3.43Å; S280-D306 PolarHBondContact OG-O 3.2Å; S280-D306 PolarHBondContact OG-OD1 2.81Å; D302-D306 HydrophobicContact CB-CB 4.28Å |
| 307 | V | 89.9 | Confident | 90.9 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 26% | 0.255 | 16% | 0.164 | S | C | . | . | trans | -112.2 | -32.8 | -179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | T279 S280 E305 | T279-V307 WeakPolarHBondContact CA-O 3.42Å; S280-V307 PolarHBondContact N-O 2.83Å; S280-V307 PolarHBondContact OG-O 2.87Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 HydrophobicContact CB-CG2 3.66Å; E305-V307 PolarHBondContact O-N 2.93Å | ||
| 308 | Y | 93.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 12% | 0.122 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.6 | -171.2 | -58.9 | -63.7 | 0 | 0 | 0 | 111.7 | I172 I277 I278 T279 S280 L301 R343 L344 | I172-Y308 HydrophobicContact CD1-CD1 3.7Å; I172-Y308 HydrophobicContact CD1-CE1 3.75Å; I172-Y308 HydrophobicContact CG1-CD1 4.27Å; I172-Y308 HydrophobicContact CG1-CE1 3.78Å; I172-Y308 HydrophobicContact CG2-CE1 4.05Å; I277-Y308 HydrophobicContact CG2-CD1 4.42Å; I277-Y308 HydrophobicContact CG2-CG 4.43Å; I278-Y308 CarbonylContact O-C 3.59Å; I278-Y308 VanDerWaalsContact O-CA 3.3Å; I278-Y308 WeakPolarHBondContact O-CA 3.38Å; T279-Y308 HydrophobicContact CG2-CE1 4.45Å; S280-Y308 PolarHBondContact OG-N 3.02Å; L301-Y308 VanDerWaalsContact CB-O 3.28Å; L301-Y308 WeakPolarHBondContact CB-O 3.15Å; L301-Y308 PolarHBondContact N-O 2.83Å; Y308-R343 HydrophobicContact CD2-CB 3.98Å; Y308-R343 WeakPolarHBondContact CD2-O 3.43Å; Y308-R343 HydrophobicContact CE2-CB 4Å; Y308-L344 HydrophobicContact CD1-CD2 4.31Å; Y308-L344 HydrophobicContact CD2-CD1 4.32Å; Y308-L344 HydrophobicContact CD2-CD2 3.33Å; Y308-L344 HydrophobicContact CD2-CG 3.64Å; Y308-L344 HydrophobicContact CE2-CD1 3.96Å; Y308-L344 HydrophobicContact CE2-CD2 3.82Å; Y308-L344 HydrophobicContact CE2-CG 3.75Å; Y308-L344 HydrophobicContact CG-CD2 3.6Å; Y308-L344 HydrophobicContact CG-CG 4.4Å |
| 309 | T | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.2 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 109 | I277 I278 A283 L298 F299 D300 | I277-T309 WeakPolarHBondContact CA-O 3.34Å; I278-T309 WeakPolarHBondContact CG1-O 3.39Å; I278-T309 PolarHBondContact N-O 2.87Å; I278-T309 PolarHBondContact O-N 3.13Å; A283-T309 HydrophobicContact CB-CG2 3.75Å; A283-T309 WeakPolarHBondContact CB-OG1 3.34Å; L298-T309 HydrophobicContact CB-CG2 3.87Å; L298-T309 HydrophobicContact CD2-CG2 4.05Å; L298-T309 HydrophobicContact CG-CG2 4.49Å; F299-T309 CarbonylContact O-C 3.59Å; F299-T309 WeakPolarHBondContact O-CA 3.39Å; F299-T309 WeakPolarHBondContact O-CG2 3.3Å; D300-T309 VanDerWaalsContact OD1-CG2 3.23Å; D300-T309 WeakPolarHBondContact OD1-CG2 3.48Å; D300-T309 PolarHBondContact OD1-OG1 3.19Å |
| 310 | V | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.1 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | Y166 Y273 G275 E276 L298 F299 L301 | Y166-V310 HydrophobicContact CD1-CG1 4.33Å; Y166-V310 HydrophobicContact CD1-CG2 4.35Å; Y166-V310 HydrophobicContact CE1-CB 4.46Å; Y166-V310 HydrophobicContact CE1-CG1 3.88Å; Y166-V310 HydrophobicContact CE1-CG2 3.66Å; Y273-V310 HydrophobicContact CD1-CB 4.36Å; Y273-V310 HydrophobicContact CD1-CG1 3.9Å; Y273-V310 HydrophobicContact CE1-CB 4.39Å; Y273-V310 HydrophobicContact CE1-CG1 3.96Å; G275-V310 VanDerWaalsContact N-CG1 3.31Å; E276-V310 CarbonylContact O-C 3.37Å; E276-V310 WeakPolarHBondContact O-CA 3.39Å; L298-V310 CarbonylContact C-O 3.59Å; L298-V310 WeakPolarHBondContact CA-O 3.3Å; F299-V310 HydrophobicContact CB-CB 4.36Å; F299-V310 PolarHBondContact N-O 2.99Å; F299-V310 PolarHBondContact O-N 2.92Å; L301-V310 HydrophobicContact CD1-CG2 3.91Å; L301-V310 HydrophobicContact CD2-CG2 3.78Å; L301-V310 HydrophobicContact CG-CG2 4.02Å |
| 311 | D | 95.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.8 | 173.9 | 179.9 | 3.6 | 0 | 0 | 0 | 110.8 | G275 E276 I278 R286 Y290 L298 A313 | G275-D311 WeakPolarHBondContact CA-O 3.14Å; E276-D311 PolarHBondContact N-O 2.78Å; E276-D311 PolarHBondContact O-N 3.14Å; I278-D311 HydrophobicContact CD1-CB 3.72Å; I278-D311 HydrophobicContact CG1-CB 4.28Å; R286-D311 WeakPolarHBondContact CD-OD2 3.5Å; R286-D311 IonicContact CZ-OD2 3.45Å; R286-D311 IonicContact NE-OD2 3.69Å; R286-D311 IonicContact NH1-OD2 3.23Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å; Y290-D311 PolarHBondContact OH-OD2 2.97Å; Y290-D311 VanDerWaalsContact OH-OD2 3.05Å; L298-D311 HydrophobicContact CD2-CB 3.75Å; D311-A313 WeakPolarHBondContact OD1-CB 3.43Å; D311-A313 PolarHBondContact OD1-N 2.88Å |
| 312 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -92.1 | 9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y273 Y297 Y314 Y315 H320 | Y273-A312 HydrophobicContact CE1-CB 3.83Å; Y273-A312 WeakPolarHBondContact OH-CB 3.44Å; Y297-A312 PolarHBondContact O-N 3.31Å; A312-Y314 PolarHBondContact O-N 3.39Å; A312-Y315 CarbonylContact C-O 3.54Å; A312-Y315 VanDerWaalsContact CA-O 3.28Å; A312-Y315 WeakPolarHBondContact CA-O 3.33Å; A312-H320 PolarHBondContact O-CE1 3.32Å; A312-H320 PolarHBondContact O-ND1 2.93Å | ||
| 313 | A | 93 | Very high | 93.2 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -65.1 | -43.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y290 Y297 D311 | Y290-A313 HydrophobicContact CE1-CB 3.98Å; Y290-A313 HydrophobicContact CE2-CB 4.1Å; Y290-A313 WeakPolarHBondContact OH-CB 3.34Å; Y297-A313 HydrophobicContact CD2-CB 3.52Å; Y297-A313 HydrophobicContact CE2-CB 4.32Å; Y297-A313 HydrophobicContact CG-CB 4.03Å; D311-A313 WeakPolarHBondContact OD1-CB 3.43Å; D311-A313 PolarHBondContact OD1-N 2.88Å |
| 314 | Y | 94 | Very high | 93.9 | Very high | 110 Ų | 110 | 28.5 Ų | 28.5 | 43% | 0.431 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -110.6 | -40.5 | -178.3 | -171.7 | -83.5 | 0 | 0 | 0 | 112.7 | A159 F160 V161 A312 | A159-Y314 HydrophobicContact CB-CD2 4.07Å; A159-Y314 HydrophobicContact CB-CE2 4.06Å; F160-Y314 CarbonylContact C-O 3.54Å; F160-Y314 WeakPolarHBondContact CA-O 3.32Å; V161-Y314 HydrophobicContact CB-CE1 4.35Å; V161-Y314 HydrophobicContact CG2-CD1 4.1Å; V161-Y314 HydrophobicContact CG2-CE1 3.5Å; V161-Y314 PolarHBondContact N-O 2.83Å; A312-Y314 PolarHBondContact O-N 3.39Å |
| 315 | Y | 97.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 25.8 Ų | 25.8 | 22% | 0.22 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.2 | 174.2 | -59.3 | -83.8 | 0 | 0 | 0 | 107.7 | V161 I163 R167 G275 A312 | V161-Y315 HydrophobicContact CB-CD1 3.79Å; V161-Y315 HydrophobicContact CB-CE1 3.98Å; V161-Y315 HydrophobicContact CG1-CD1 3.97Å; V161-Y315 HydrophobicContact CG1-CE1 4.07Å; V161-Y315 HydrophobicContact CG2-CD1 4.49Å; V161-Y315 HydrophobicContact CG2-CE1 4.23Å; V161-Y315 WeakPolarHBondContact O-CA 3.46Å; I163-Y315 HydrophobicContact CG2-CD1 4.16Å; R167-Y315 PolarHBondContact NH1-OH 3.48Å; G275-Y315 VanDerWaalsContact CA-O 3.26Å; G275-Y315 WeakPolarHBondContact CA-O 3.24Å; A312-Y315 CarbonylContact C-O 3.54Å; A312-Y315 VanDerWaalsContact CA-O 3.28Å; A312-Y315 WeakPolarHBondContact CA-O 3.33Å |
| 316 | G | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F160 V161 Y162 I163 V274 | F160-G316 WeakPolarHBondContact CZ-O 3.43Å; V161-G316 PolarHBondContact O-N 2.74Å; V161-G316 VanDerWaalsContact O-N 3.14Å; Y162-G316 CarbonylContact C-O 3.45Å; Y162-G316 VanDerWaalsContact CA-O 3.23Å; Y162-G316 WeakPolarHBondContact CA-O 3.37Å; I163-G316 PolarHBondContact N-O 3.19Å; V274-G316 VanDerWaalsContact O-CA 3.24Å; V274-G316 WeakPolarHBondContact O-CA 3.42Å |
| 317 | N | 97.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.043 | 11% | 0.105 | C | C | . | . | trans | -103.2 | -159.1 | 170.8 | 74 | 4.5 | 0 | 0 | 0 | 110.1 | Y162 I163 E272 V274 S319 H320 | Y162-N317 HydrophobicContact CE2-CB 4.12Å; I163-N317 VanDerWaalsContact O-CB 3.25Å; I163-N317 WeakPolarHBondContact O-CB 3.27Å; E272-N317 PolarHBondContact O-ND2 2.88Å; E272-N317 PolarHBondContact O-OD1 2.74Å; V274-N317 HydrophobicContact CB-CB 4.2Å; V274-N317 WeakPolarHBondContact CG2-ND2 3.49Å; N317-S319 PolarHBondContact O-N 3.39Å; N317-S319 WeakPolarHBondContact OD1-CB 3.49Å; N317-S319 PolarHBondContact OD1-N 3.48Å; N317-S319 PolarHBondContact OD1-OG 3.05Å; N317-H320 VanDerWaalsContact O-CB 3.3Å; N317-H320 WeakPolarHBondContact O-CB 3.45Å; N317-H320 PolarHBondContact O-N 2.9Å | ||
| 318 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -63.6 | -22.5 | 178.7 | -166.9 | 166.6 | 0 | 0 | 0 | 113.7 | I145 Y162 I241 L245 I247 V258 M271 H320 F321 | I145-I318 HydrophobicContact CD1-CB 4.41Å; I145-I318 HydrophobicContact CD1-CD1 4.34Å; I145-I318 HydrophobicContact CG1-CD1 4.08Å; I145-I318 HydrophobicContact CG2-CD1 3.87Å; Y162-I318 HydrophobicContact CE2-CB 4.37Å; I241-I318 HydrophobicContact CD1-CG2 3.58Å; L245-I318 HydrophobicContact CB-CD1 3.6Å; L245-I318 HydrophobicContact CD1-CD1 3.94Å; L245-I318 HydrophobicContact CD1-CG2 4.19Å; L245-I318 HydrophobicContact CG-CD1 4.43Å; I247-I318 HydrophobicContact CD1-CD1 4.49Å; I247-I318 HydrophobicContact CD1-CG1 4.21Å; I247-I318 HydrophobicContact CG1-CD1 3.99Å; I247-I318 HydrophobicContact CG1-CG1 3.91Å; V258-I318 HydrophobicContact CG1-CD1 3.91Å; V258-I318 HydrophobicContact CG1-CG1 4.08Å; V258-I318 HydrophobicContact CG2-CD1 4.5Å; V258-I318 HydrophobicContact CG2-CG1 3.86Å; V258-I318 WeakPolarHBondContact CG2-O 3.45Å; M271-I318 HydrophobicContact CE-CG2 4.31Å; M271-I318 HydrophobicContact SD-CG2 3.82Å; I318-H320 PolarHBondContact O-N 2.72Å; I318-F321 PolarHBondContact O-N 2.74Å; I318-F321 VanDerWaalsContact O-N 3.14Å |
| 319 | S | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -60.8 | -25 | 178.2 | 78.3 | 0 | 0 | 0 | 0 | 113.1 | E272 Y273 N317 F321 V322 | E272-S319 WeakPolarHBondContact O-CB 3.23Å; Y273-S319 WeakPolarHBondContact CA-OG 3.42Å; Y273-S319 WeakPolarHBondContact CD2-OG 3.35Å; N317-S319 PolarHBondContact O-N 3.39Å; N317-S319 WeakPolarHBondContact OD1-CB 3.49Å; N317-S319 PolarHBondContact OD1-N 3.48Å; N317-S319 PolarHBondContact OD1-OG 3.05Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-F321 VanDerWaalsContact O-N 3.09Å; S319-V322 WeakPolarHBondContact O-CB 3.48Å; S319-V322 PolarHBondContact O-N 3.34Å |
| 320 | H | 95.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 19.3 Ų | 19.3 | 10% | 0.102 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -51.8 | -30.4 | 174.8 | 172.1 | 97.5 | 0 | 0 | 0 | 112.5 | F160 Y297 A312 N317 I318 | F160-H320 AromaticContact CD2-CE1 3.99Å; F160-H320 AromaticContact CD2-ND1 3.95Å; F160-H320 HydrophobicContact CE2-CB 3.81Å; F160-H320 AromaticContact CE2-CG 3.63Å; F160-H320 AromaticContact CE2-ND1 3.85Å; F160-H320 HydrophobicContact CZ-CB 4.35Å; Y297-H320 AromaticContact CD1-CE1 3.6Å; Y297-H320 AromaticContact CD1-ND1 3.65Å; Y297-H320 AromaticContact CE1-CE1 3.22Å; Y297-H320 WeakPolarHBondContact CE1-CE1 3.3Å; Y297-H320 AromaticContact CE1-ND1 3.69Å; Y297-H320 AromaticContact CE1-NE2 3.65Å; Y297-H320 AromaticContact CZ-CE1 3.59Å; Y297-H320 AromaticContact CZ-NE2 3.98Å; A312-H320 PolarHBondContact O-CE1 3.32Å; A312-H320 PolarHBondContact O-ND1 2.93Å; N317-H320 VanDerWaalsContact O-CB 3.3Å; N317-H320 WeakPolarHBondContact O-CB 3.45Å; N317-H320 PolarHBondContact O-N 2.9Å; I318-H320 PolarHBondContact O-N 2.72Å |
| 321 | F | 96.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 4% | 0.044 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -98.6 | 4.8 | -176.9 | -54.4 | -80.7 | 0 | 0 | 0 | 113.3 | W131 P157 F160 I247 W256 G257 V258 I318 S319 N323 | W131-F321 AromaticContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE2 4.35Å; W131-F321 AromaticContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CZ2-CE1 4.26Å; W131-F321 HydrophobicContact CZ2-CE2 4.14Å; W131-F321 AromaticContact CZ2-CZ 3.58Å; W131-F321 HydrophobicContact CZ2-CZ 3.58Å; P157-F321 HydrophobicContact CG-CE1 4.24Å; P157-F321 HydrophobicContact CG-CZ 4.12Å; F160-F321 HydrophobicContact CD1-CE2 4.47Å; F160-F321 HydrophobicContact CD1-CZ 4.13Å; F160-F321 AromaticContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CZ 4.01Å; F160-F321 HydrophobicContact CE2-CE2 4.32Å; F160-F321 HydrophobicContact CE2-CZ 4.41Å; F160-F321 HydrophobicContact CG-CZ 4.38Å; F160-F321 AromaticContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CZ 4.16Å; I247-F321 HydrophobicContact CD1-CD2 3.64Å; I247-F321 HydrophobicContact CD1-CE2 3.72Å; I247-F321 HydrophobicContact CD1-CG 4.34Å; I247-F321 HydrophobicContact CD1-CZ 4.47Å; I247-F321 HydrophobicContact CG1-CD2 4.06Å; I247-F321 HydrophobicContact CG1-CG 4.41Å; I247-F321 HydrophobicContact CG2-CB 4.37Å; I247-F321 HydrophobicContact CG2-CD1 4.2Å; I247-F321 HydrophobicContact CG2-CD2 4.43Å; I247-F321 HydrophobicContact CG2-CG 4.07Å; W256-F321 HydrophobicContact CB-CB 4.47Å; W256-F321 HydrophobicContact CB-CD1 3.69Å; W256-F321 HydrophobicContact CB-CE1 4.47Å; W256-F321 HydrophobicContact CB-CG 4.49Å; W256-F321 HydrophobicContact CG-CD1 4.22Å; G257-F321 CarbonylContact C-O 3.54Å; G257-F321 WeakPolarHBondContact CA-O 3.37Å; V258-F321 HydrophobicContact CG2-CB 3.64Å; V258-F321 PolarHBondContact N-O 3.48Å; I318-F321 PolarHBondContact O-N 2.74Å; I318-F321 VanDerWaalsContact O-N 3.14Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-F321 VanDerWaalsContact O-N 3.09Å; F321-N323 PolarHBondContact O-N 3.13Å |
| 322 | V | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 120.9 | -177.7 | 179.1 | 0 | 0 | 0 | 0 | 109 | V258 M271 S319 L330 L361 F363 Y365 | V258-V322 HydrophobicContact CB-CG2 4.06Å; V258-V322 HydrophobicContact CG2-CG2 3.8Å; M271-V322 HydrophobicContact CE-CG2 4.19Å; M271-V322 HydrophobicContact SD-CG2 3.8Å; S319-V322 WeakPolarHBondContact O-CB 3.48Å; S319-V322 PolarHBondContact O-N 3.34Å; V322-L330 HydrophobicContact CG1-CD1 4.16Å; V322-L361 WeakPolarHBondContact CG1-O 3.31Å; V322-F363 HydrophobicContact CB-CD1 4.31Å; V322-F363 HydrophobicContact CB-CE1 4.29Å; V322-F363 HydrophobicContact CG1-CD1 3.62Å; V322-F363 HydrophobicContact CG1-CE1 4.09Å; V322-Y365 PolarHBondContact O-OH 3.36Å |
| 323 | N | 96.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 162.4 | -176.3 | -76 | -49.5 | 0 | 0 | 0 | 113.6 | W256 G257 F321 E360 T362 F363 | W256-N323 PolarHBondContact O-ND2 2.77Å; W256-N323 PolarHBondContact O-OD1 3.33Å; G257-N323 WeakPolarHBondContact CA-ND2 3.32Å; F321-N323 PolarHBondContact O-N 3.13Å; N323-E360 PolarHBondContact ND2-OE1 3.38Å; N323-T362 WeakPolarHBondContact O-CA 3.46Å; N323-T362 WeakPolarHBondContact O-CB 3.23Å; N323-F363 PolarHBondContact O-N 3.16Å |
| 324 | H | 94.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 2% | 0.023 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 141.9 | 168 | 177 | 55.9 | 0 | 0 | 0 | 112.8 | C326 F363 D364 Y365 C400 R408 L411 | H324-C326 PolarHBondContact NE2-SG 3.48Å; H324-F363 VanDerWaalsContact CA-O 3.3Å; H324-F363 WeakPolarHBondContact CA-O 3.46Å; H324-F363 PolarHBondContact ND1-O 3.36Å; H324-D364 IonicContact CE1-OD1 2.7Å; H324-D364 PolarHBondContact CE1-OD1 3.21Å; H324-D364 VanDerWaalsContact CE1-OD1 3.23Å; H324-D364 IonicContact ND1-OD1 3.42Å; H324-Y365 HydrophobicContact CB-CD1 3.66Å; H324-Y365 HydrophobicContact CB-CD2 3.84Å; H324-Y365 HydrophobicContact CB-CE1 3.68Å; H324-Y365 HydrophobicContact CB-CE2 3.88Å; H324-Y365 HydrophobicContact CB-CG 3.75Å; H324-Y365 VanDerWaalsContact N-CE1 3.27Å; H324-Y365 PolarHBondContact N-OH 3.31Å; H324-Y365 PolarHBondContact ND1-N 2.88Å; H324-Y365 VanDerWaalsContact ND1-N 3.18Å; H324-C400 PolarHBondContact CD2-SG 2.66Å; H324-R408 PolarHBondContact CE1-NH2 2.96Å; H324-R408 VanDerWaalsContact CE1-NH2 3.25Å; H324-L411 HydrophobicContact CB-CD2 3.91Å; H324-L411 VanDerWaalsContact CD2-CD2 3.48Å; H324-L411 WeakPolarHBondContact CD2-CD2 3.46Å |
| 325 | S | 95.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 6% | 0.056 | 9% | 0.086 | C | C | . | . | trans | -137.3 | 145 | 158.6 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | D327 T362 F363 | S325-D327 VanDerWaalsContact C-N 3.27Å; S325-D327 VanDerWaalsContact OG-C 3.28Å; S325-D327 PolarHBondContact OG-N 3.34Å; S325-D327 VanDerWaalsContact OG-N 3.09Å; S325-D327 PolarHBondContact OG-O 2.95Å; S325-T362 VanDerWaalsContact CB-OG1 3.28Å; S325-T362 WeakPolarHBondContact CB-OG1 3.45Å; S325-F363 PolarHBondContact N-O 3.38Å | ||
| 326 | C | 94.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 14.3 Ų | 14.3 | 12% | 0.122 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -76.9 | -14.3 | 170.5 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | H324 R408 | H324-C326 PolarHBondContact NE2-SG 3.48Å; C326-R408 HydrophobicContact CB-CG 4.46Å; C326-R408 PolarHBondContact SG-N 2.77Å |
| 327 | D | 94.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 14.3 Ų | 14.3 | 52% | 0.519 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -126.9 | 76.9 | 167.4 | -178.9 | 28 | 0 | 0 | 0 | 108 | S325 T404 | S325-D327 VanDerWaalsContact C-N 3.27Å; S325-D327 VanDerWaalsContact OG-C 3.28Å; S325-D327 PolarHBondContact OG-N 3.34Å; S325-D327 VanDerWaalsContact OG-N 3.09Å; S325-D327 PolarHBondContact OG-O 2.95Å; D327-T404 HydrophobicContact CB-CG2 3.8Å |
| 328 | P | 97.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 16.5 Ų | 16.5 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | trans | -76.7 | 157.2 | -172.3 | 32.5 | -37.9 | 0 | 0 | 0 | 113 | T352 T362 F363 D364 | P328-T352 PolarHBondContact O-OG1 3.32Å; P328-T362 WeakPolarHBondContact CB-O 3.32Å; P328-F363 VanDerWaalsContact CB-CA 3.48Å; P328-D364 HydrophobicContact CG-CB 4.06Å | ||
| 329 | N | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -104.2 | -1.9 | 172.7 | 59.7 | 11.2 | 0 | 0 | 0 | 113.7 | A351 T352 I355 E359 E360 L361 T362 | N329-A351 CarbonylContact O-C 3.56Å; N329-A351 WeakPolarHBondContact O-CA 3.29Å; N329-T352 WeakPolarHBondContact CA-OG1 3.21Å; N329-T352 PolarHBondContact O-N 3.46Å; N329-T352 PolarHBondContact O-OG1 3.14Å; N329-I355 HydrophobicContact CB-CD1 3.95Å; N329-I355 HydrophobicContact CB-CG1 4.06Å; N329-E359 PolarHBondContact ND2-OE1 3.12Å; N329-E360 PolarHBondContact ND2-O 3.02Å; N329-L361 WeakPolarHBondContact OD1-CA 3.45Å; N329-T362 PolarHBondContact N-O 2.84Å; N329-T362 PolarHBondContact OD1-N 3.42Å; N329-T362 PolarHBondContact OD1-O 3.36Å |
| 330 | L | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 144.7 | 172.1 | -59.5 | -179.2 | 0 | 0 | 0 | 111.5 | V270 V322 F349 F350 I355 L361 T362 F363 | V270-L330 HydrophobicContact CB-CD2 4.06Å; V270-L330 HydrophobicContact CG1-CD2 4.25Å; V270-L330 HydrophobicContact CG2-CD2 3.67Å; V322-L330 HydrophobicContact CG1-CD1 4.16Å; L330-F349 HydrophobicContact CB-CB 4.38Å; L330-F349 HydrophobicContact CD1-CB 4.14Å; L330-F349 HydrophobicContact CD1-CD2 4.04Å; L330-F349 HydrophobicContact CD1-CG 4.29Å; L330-F350 CarbonylContact C-O 3.12Å; L330-F350 WeakPolarHBondContact CA-O 3.17Å; L330-I355 HydrophobicContact CD2-CD1 4.15Å; L330-L361 HydrophobicContact CD1-CB 3.99Å; L330-T362 WeakPolarHBondContact CB-O 3.48Å; L330-T362 PolarHBondContact N-O 3.37Å; L330-F363 HydrophobicContact CB-CB 4.16Å |
| 331 | Q | 95.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 21 Ų | 21 | 24% | 0.238 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.1 | 173.3 | 177.3 | 62.9 | 59 | 0 | 0 | 109.5 | A215 Y333 F349 F350 T352 | A215-Q331 HydrophobicContact CB-CG 3.69Å; Q331-Y333 HydrophobicContact CB-CE2 4.15Å; Q331-Y333 HydrophobicContact CG-CD2 4.29Å; Q331-Y333 HydrophobicContact CG-CE2 3.68Å; Q331-F349 WeakPolarHBondContact O-CA 3.22Å; Q331-F350 PolarHBondContact N-O 3.17Å; Q331-F350 PolarHBondContact O-N 2.8Å; Q331-T352 HydrophobicContact CB-CG2 3.57Å |
| 332 | V | 95 | Very high | 95.6 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.036 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 142.1 | 178.5 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | F299 I347 A348 F349 M367 | F299-V332 HydrophobicContact CE2-CG2 4.48Å; F299-V332 HydrophobicContact CZ-CG1 3.98Å; F299-V332 HydrophobicContact CZ-CG2 4.33Å; V332-I347 HydrophobicContact CG1-CG2 3.51Å; V332-A348 CarbonylContact C-O 3.55Å; V332-A348 WeakPolarHBondContact CA-O 3.17Å; V332-F349 HydrophobicContact CB-CD1 4.39Å; V332-F349 HydrophobicContact CB-CE1 4.43Å; V332-F349 HydrophobicContact CG1-CE1 4.42Å; V332-F349 HydrophobicContact CG2-CD1 3.81Å; V332-F349 HydrophobicContact CG2-CE1 3.55Å; V332-M367 HydrophobicContact CB-CE 3.27Å; V332-M367 HydrophobicContact CB-SD 4.3Å; V332-M367 HydrophobicContact CG1-CE 3.87Å; V332-M367 HydrophobicContact CG2-CE 3.29Å; V332-M367 HydrophobicContact CG2-SD 3.74Å |
| 333 | Y | 95.3 | Very high | 95.3 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140 | 170.2 | -72.7 | -99.8 | 0 | 0 | 0 | 110.1 | V211 L213 R214 A215 I219 Q331 A348 F350 | V211-Y333 HydrophobicContact CG1-CE2 4.26Å; V211-Y333 HydrophobicContact CG2-CD1 4.37Å; V211-Y333 HydrophobicContact CG2-CE1 3.88Å; L213-Y333 HydrophobicContact CB-CE1 4.5Å; L213-Y333 PolarHBondContact O-OH 3.25Å; L213-Y333 VanDerWaalsContact O-OH 3.12Å; R214-Y333 WeakPolarHBondContact O-CE1 3.41Å; A215-Y333 PolarHBondContact N-OH 3.18Å; I219-Y333 HydrophobicContact CD1-CD1 3.71Å; I219-Y333 HydrophobicContact CD1-CG 3.88Å; I219-Y333 HydrophobicContact CG1-CD1 4.15Å; Q331-Y333 HydrophobicContact CB-CE2 4.15Å; Q331-Y333 HydrophobicContact CG-CD2 4.29Å; Q331-Y333 HydrophobicContact CG-CE2 3.68Å; Y333-A348 PolarHBondContact N-O 3.49Å; Y333-A348 PolarHBondContact O-N 2.69Å; Y333-F350 HydrophobicContact CD2-CB 4.04Å; Y333-F350 AromaticContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CE2 4.36Å; Y333-F350 HydrophobicContact CD2-CG 4.07Å; Y333-F350 HydrophobicContact CE2-CB 3.95Å; Y333-F350 HydrophobicContact CE2-CD2 4.25Å; Y333-F350 HydrophobicContact CE2-CG 4.3Å; Y333-F350 HydrophobicContact CG-CD2 4.09Å; Y333-F350 HydrophobicContact CG-CE2 4.47Å |
| 334 | N | 95.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.8 | 168.6 | -68.4 | -51.2 | 0 | 0 | 0 | 109.7 | I219 Y303 P345 I347 T377 | I219-N334 PolarHBondContact N-O 2.81Å; Y303-N334 HydrophobicContact CD2-CB 4.29Å; Y303-N334 WeakPolarHBondContact CD2-ND2 3.15Å; Y303-N334 HydrophobicContact CG-CB 4.32Å; N334-P345 HydrophobicContact CB-CB 3.82Å; N334-P345 HydrophobicContact CB-CG 4.43Å; N334-P345 WeakPolarHBondContact OD1-CG 3.15Å; N334-I347 VanDerWaalsContact OD1-CD1 3.24Å; N334-I347 WeakPolarHBondContact OD1-CD1 3.5Å; N334-T377 WeakPolarHBondContact OD1-CG2 3.5Å |
| 335 | V | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.1 | -173 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | I219 E221 V237 I337 R346 A348 | I219-V335 HydrophobicContact CB-CG1 4.31Å; I219-V335 HydrophobicContact CB-CG2 4.19Å; I219-V335 HydrophobicContact CD1-CG2 4.39Å; I219-V335 HydrophobicContact CG2-CG1 4.22Å; I219-V335 CarbonylContact O-C 3.45Å; I219-V335 WeakPolarHBondContact O-CA 3.07Å; E221-V335 HydrophobicContact CG-CG1 4.04Å; V237-V335 HydrophobicContact CB-CG1 4.34Å; V237-V335 HydrophobicContact CG2-CG1 4.21Å; V237-V335 HydrophobicContact CG2-CG2 4.18Å; V335-I337 HydrophobicContact CG1-CD1 4.13Å; V335-I337 HydrophobicContact CG1-CG1 3.93Å; V335-R346 HydrophobicContact CB-CB 4.23Å; V335-R346 PolarHBondContact N-O 3.43Å; V335-R346 WeakPolarHBondContact O-CB 3.36Å; V335-R346 PolarHBondContact O-N 3.23Å; V335-A348 HydrophobicContact CG2-CB 3.51Å |
| 336 | F | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130 | 177.6 | -59 | -73.1 | 0 | 0 | 0 | 109.7 | P218 I219 Y220 E221 Y303 L340 E342 P345 | P218-F336 HydrophobicContact CB-CD2 4.05Å; P218-F336 HydrophobicContact CB-CE2 3.75Å; I219-F336 PolarHBondContact O-N 2.95Å; Y220-F336 HydrophobicContact CD1-CB 3.69Å; Y220-F336 HydrophobicContact CD1-CD2 4.35Å; Y220-F336 HydrophobicContact CD1-CG 4.38Å; Y220-F336 HydrophobicContact CD2-CD2 4.47Å; Y220-F336 HydrophobicContact CE1-CB 3.68Å; Y220-F336 AromaticContact CE1-CD2 3.85Å; Y220-F336 HydrophobicContact CE1-CD2 3.85Å; Y220-F336 AromaticContact CE1-CG 3.94Å; Y220-F336 HydrophobicContact CE1-CG 3.94Å; Y220-F336 AromaticContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CG-CB 4.4Å; Y220-F336 AromaticContact CZ-CD2 3.65Å; E221-F336 PolarHBondContact N-O 3.18Å; Y303-F336 HydrophobicContact CD1-CE2 4.25Å; Y303-F336 AromaticContact CD1-CZ 3.87Å; Y303-F336 HydrophobicContact CD1-CZ 3.87Å; Y303-F336 AromaticContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CZ 4.01Å; F336-L340 HydrophobicContact CB-CD2 3.9Å; F336-E342 HydrophobicContact CE1-CB 4.38Å; F336-E342 HydrophobicContact CE1-CG 4.39Å; F336-E342 HydrophobicContact CZ-CB 4.09Å; F336-E342 HydrophobicContact CZ-CG 4.07Å; F336-P345 HydrophobicContact CE1-CB 3.68Å; F336-P345 HydrophobicContact CZ-CB 3.7Å |
| 337 | I | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -134.1 | -94.9 | -175.6 | -44.4 | -167.9 | 0 | 0 | 0 | 108.6 | E221 N223 Q238 V335 | E221-I337 HydrophobicContact CB-CD1 4.21Å; E221-I337 HydrophobicContact CB-CG1 3.98Å; E221-I337 HydrophobicContact CB-CG2 4.36Å; E221-I337 HydrophobicContact CG-CD1 4.25Å; E221-I337 HydrophobicContact CG-CG1 4.3Å; N223-I337 HydrophobicContact CB-CG2 4.35Å; N223-I337 WeakPolarHBondContact CB-O 3.22Å; Q238-I337 HydrophobicContact CB-CD1 3.97Å; V335-I337 HydrophobicContact CG1-CD1 4.13Å; V335-I337 HydrophobicContact CG1-CG1 3.93Å |
| 338 | D | 95.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 24 Ų | 24 | 28% | 0.283 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -85.4 | -18.7 | 179.8 | -66.4 | -65.2 | 0 | 0 | 0 | 112.9 | Q176 V177 S224 | Q176-D338 CarbonylContact C-O 3.54Å; Q176-D338 VanDerWaalsContact CA-O 3.31Å; Q176-D338 WeakPolarHBondContact CA-O 3.45Å; V177-D338 PolarHBondContact N-O 3.32Å; S224-D338 WeakPolarHBondContact CB-OD1 3.21Å; S224-D338 PolarHBondContact N-OD1 3.46Å; S224-D338 PolarHBondContact OG-OD1 3.04Å |
| 339 | N | 93.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 22.7 Ų | 22.7 | 11% | 0.112 | 11% | 0.105 | C | C | . | . | trans | -112 | 127.5 | 169 | 175.6 | 48 | 0 | 0 | 0 | 108.6 | N175 D341 L344 | N175-N339 WeakPolarHBondContact O-CA 3.47Å; N175-N339 PolarHBondContact O-OD1 3.23Å; N339-D341 WeakPolarHBondContact OD1-CB 2.95Å; N339-D341 PolarHBondContact OD1-N 3.07Å; N339-L344 VanDerWaalsContact ND2-CB 3.32Å; N339-L344 WeakPolarHBondContact ND2-CB 3.38Å; N339-L344 PolarHBondContact ND2-O 3.28Å; N339-L344 VanDerWaalsContact ND2-O 3.14Å | ||
| 340 | L | 93.3 | Very high | 95.4 | Very high | 67 Ų | 67 | 22.6 Ų | 22.6 | 35% | 0.351 | 11% | 0.105 | S | C | . | . | trans | -109 | 7.5 | 177.2 | -56.7 | -171.4 | 0 | 0 | 0 | 112.5 | V177 Y220 F336 E342 | V177-L340 HydrophobicContact CB-CD1 4.37Å; V177-L340 HydrophobicContact CB-CG 4.15Å; V177-L340 HydrophobicContact CG2-CD1 3.5Å; V177-L340 VanDerWaalsContact CG2-CD1 3.5Å; V177-L340 HydrophobicContact CG2-CG 3.82Å; Y220-L340 HydrophobicContact CD1-CD2 4.1Å; Y220-L340 HydrophobicContact CE1-CD2 4.12Å; F336-L340 HydrophobicContact CB-CD2 3.9Å; L340-E342 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact O-N 3.15Å | ||
| 341 | D | 92.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 22.6 Ų | 22.6 | 17% | 0.166 | 11% | 0.105 | C | C | . | . | trans | -66.5 | 110.6 | 169 | -170.5 | -23.1 | 0 | 0 | 0 | 108.8 | N339 R343 L344 | N339-D341 WeakPolarHBondContact OD1-CB 2.95Å; N339-D341 PolarHBondContact OD1-N 3.07Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 VanDerWaalsContact O-N 3.1Å; D341-R343 WeakPolarHBondContact OD1-CB 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3Å; D341-R343 IonicContact OD1-CZ 3.11Å; D341-R343 PolarHBondContact OD1-N 3.5Å; D341-R343 VanDerWaalsContact OD1-N 3.14Å; D341-R343 IonicContact OD1-NE 2.66Å; D341-R343 PolarHBondContact OD1-NE 3.33Å; D341-R343 IonicContact OD1-NH2 3.7Å; D341-R343 IonicContact OD2-CZ 3.27Å; D341-R343 IonicContact OD2-NE 2.73Å; D341-R343 PolarHBondContact OD2-NE 3.45Å; D341-R343 IonicContact OD2-NH2 3.61Å; D341-R343 PolarHBondContact OD2-NH2 2.87Å; D341-L344 CarbonylContact O-C 3.58Å; D341-L344 PolarHBondContact O-N 3.07Å | ||
| 342 | E | 92.2 | Very high | 95.5 | Very high | 66 Ų | 66 | 22.3 Ų | 22.3 | 31% | 0.308 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.5 | -174.8 | -65.8 | -168.6 | 146.6 | 0 | 0 | 113.6 | Y220 Y303 V304 F336 L340 L344 | Y220-E342 PolarHBondContact OH-OE1 3.3Å; Y303-E342 HydrophobicContact CD1-CB 4.26Å; Y303-E342 HydrophobicContact CE1-CB 4.32Å; Y303-E342 HydrophobicContact CE1-CG 4.47Å; V304-E342 HydrophobicContact CB-CB 4.48Å; V304-E342 HydrophobicContact CG1-CB 3.68Å; V304-E342 WeakPolarHBondContact CG1-OE2 3.48Å; V304-E342 HydrophobicContact CG2-CB 3.93Å; F336-E342 HydrophobicContact CE1-CB 4.38Å; F336-E342 HydrophobicContact CE1-CG 4.39Å; F336-E342 HydrophobicContact CZ-CB 4.09Å; F336-E342 HydrophobicContact CZ-CG 4.07Å; L340-E342 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact O-N 3.15Å; E342-L344 VanDerWaalsContact C-N 3.27Å |
| 343 | R | 91.7 | Very high | 95.7 | Very high | 85 Ų | 85 | 26.7 Ų | 26.7 | 32% | 0.321 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -15.6 | 173.2 | -56.8 | 171.9 | -63.1 | 167.8 | 5.5 | 113 | V304 Y308 D341 P345 | V304-R343 HydrophobicContact CG2-CB 4.36Å; V304-R343 HydrophobicContact CG2-CG 3.67Å; Y308-R343 HydrophobicContact CD2-CB 3.98Å; Y308-R343 WeakPolarHBondContact CD2-O 3.43Å; Y308-R343 HydrophobicContact CE2-CB 4Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 VanDerWaalsContact O-N 3.1Å; D341-R343 WeakPolarHBondContact OD1-CB 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3Å; D341-R343 IonicContact OD1-CZ 3.11Å; D341-R343 PolarHBondContact OD1-N 3.5Å; D341-R343 VanDerWaalsContact OD1-N 3.14Å; D341-R343 IonicContact OD1-NE 2.66Å; D341-R343 PolarHBondContact OD1-NE 3.33Å; D341-R343 IonicContact OD1-NH2 3.7Å; D341-R343 IonicContact OD2-CZ 3.27Å; D341-R343 IonicContact OD2-NE 2.73Å; D341-R343 PolarHBondContact OD2-NE 3.45Å; D341-R343 IonicContact OD2-NH2 3.61Å; D341-R343 PolarHBondContact OD2-NH2 2.87Å; R343-P345 WeakPolarHBondContact O-CD 3.37Å |
| 344 | L | 93.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.047 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -126.9 | 57.7 | -175.6 | -69 | 169.2 | 0 | 0 | 0 | 111.1 | I172 L174 I277 L301 Y308 N339 D341 E342 | I172-L344 HydrophobicContact CG2-CD1 4.1Å; I172-L344 HydrophobicContact CG2-CD2 4.43Å; L174-L344 HydrophobicContact CD2-CB 4.09Å; L174-L344 HydrophobicContact CD2-CD1 3.74Å; L174-L344 HydrophobicContact CD2-CG 4.4Å; I277-L344 HydrophobicContact CD1-CD2 4.15Å; I277-L344 HydrophobicContact CG2-CD2 3.69Å; L301-L344 HydrophobicContact CD1-CD2 4.22Å; Y308-L344 HydrophobicContact CD1-CD2 4.31Å; Y308-L344 HydrophobicContact CD2-CD1 4.32Å; Y308-L344 HydrophobicContact CD2-CD2 3.33Å; Y308-L344 HydrophobicContact CD2-CG 3.64Å; Y308-L344 HydrophobicContact CE2-CD1 3.96Å; Y308-L344 HydrophobicContact CE2-CD2 3.82Å; Y308-L344 HydrophobicContact CE2-CG 3.75Å; Y308-L344 HydrophobicContact CG-CD2 3.6Å; Y308-L344 HydrophobicContact CG-CG 4.4Å; N339-L344 VanDerWaalsContact ND2-CB 3.32Å; N339-L344 WeakPolarHBondContact ND2-CB 3.38Å; N339-L344 PolarHBondContact ND2-O 3.28Å; N339-L344 VanDerWaalsContact ND2-O 3.14Å; D341-L344 CarbonylContact O-C 3.58Å; D341-L344 PolarHBondContact O-N 3.07Å; E342-L344 VanDerWaalsContact C-N 3.27Å |
| 345 | P | 94.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -68.1 | 154 | 175.1 | 30.7 | -33.6 | 0 | 0 | 0 | 111.1 | L301 N334 F336 R343 I347 | L301-P345 HydrophobicContact CB-CG 4.45Å; L301-P345 HydrophobicContact CD2-CG 4.25Å; N334-P345 HydrophobicContact CB-CB 3.82Å; N334-P345 HydrophobicContact CB-CG 4.43Å; N334-P345 WeakPolarHBondContact OD1-CG 3.15Å; F336-P345 HydrophobicContact CE1-CB 3.68Å; F336-P345 HydrophobicContact CZ-CB 3.7Å; R343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-I347 HydrophobicContact CG-CD1 4.23Å | ||
| 346 | R | 96.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 135 | 160.1 | -65.5 | 169.7 | 66.5 | 154 | 2.3 | 109 | Y166 E272 V335 | Y166-R346 HydrophobicContact CE2-CB 4.4Å; Y166-R346 HydrophobicContact CE2-CG 4.02Å; E272-R346 IonicContact OE1-CZ 3.61Å; E272-R346 IonicContact OE1-NE 3.37Å; E272-R346 PolarHBondContact OE1-NE 2.81Å; E272-R346 IonicContact OE1-NH2 2.77Å; E272-R346 PolarHBondContact OE1-NH2 2.67Å; E272-R346 IonicContact OE2-CZ 2.93Å; E272-R346 IonicContact OE2-NH2 3.32Å; E272-R346 PolarHBondContact OE2-NH2 2.82Å; V335-R346 HydrophobicContact CB-CB 4.23Å; V335-R346 PolarHBondContact N-O 3.43Å; V335-R346 WeakPolarHBondContact O-CB 3.36Å; V335-R346 PolarHBondContact O-N 3.23Å |
| 347 | I | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.2 | 179.8 | -58.6 | -52.5 | 0 | 0 | 0 | 109.2 | Y166 E272 Y273 F299 L301 V332 N334 P345 F349 T377 | Y166-I347 PolarHBondContact OH-N 3.33Å; E272-I347 CarbonylContact C-O 3.56Å; E272-I347 WeakPolarHBondContact CA-O 3.38Å; E272-I347 WeakPolarHBondContact CB-O 3.47Å; Y273-I347 PolarHBondContact N-O 2.97Å; F299-I347 HydrophobicContact CD1-CD1 4.42Å; F299-I347 HydrophobicContact CD1-CG1 4.13Å; F299-I347 HydrophobicContact CE1-CD1 3.84Å; F299-I347 HydrophobicContact CE1-CG1 3.92Å; F299-I347 HydrophobicContact CE1-CG2 3.96Å; F299-I347 HydrophobicContact CE2-CG2 4.17Å; F299-I347 HydrophobicContact CZ-CG2 3.8Å; L301-I347 HydrophobicContact CD2-CD1 3.65Å; L301-I347 HydrophobicContact CD2-CG1 3.63Å; V332-I347 HydrophobicContact CG1-CG2 3.51Å; N334-I347 VanDerWaalsContact OD1-CD1 3.24Å; N334-I347 WeakPolarHBondContact OD1-CD1 3.5Å; P345-I347 HydrophobicContact CG-CD1 4.23Å; I347-F349 HydrophobicContact CG2-CE1 4.22Å; I347-T377 HydrophobicContact CD1-CG2 3.96Å |
| 348 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V237 F269 E272 V332 Y333 V335 F350 | V237-A348 HydrophobicContact CG1-CB 4.17Å; V237-A348 HydrophobicContact CG2-CB 3.95Å; F269-A348 HydrophobicContact CD2-CB 4.19Å; F269-A348 HydrophobicContact CE2-CB 3.95Å; E272-A348 HydrophobicContact CG-CB 4.45Å; V332-A348 CarbonylContact C-O 3.55Å; V332-A348 WeakPolarHBondContact CA-O 3.17Å; Y333-A348 PolarHBondContact N-O 3.49Å; Y333-A348 PolarHBondContact O-N 2.69Å; V335-A348 HydrophobicContact CG2-CB 3.51Å; A348-F350 HydrophobicContact CB-CD2 4.32Å; A348-F350 HydrophobicContact CB-CE2 3.82Å |
| 349 | F | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.3 | 174 | -62.1 | -27.7 | 0 | 0 | 0 | 111.4 | V270 M271 Y273 L330 Q331 V332 I347 F363 | V270-F349 PolarHBondContact N-O 2.71Å; M271-F349 HydrophobicContact CG-CB 4.32Å; M271-F349 HydrophobicContact CG-CD2 3.63Å; M271-F349 HydrophobicContact CG-CE2 4.46Å; M271-F349 HydrophobicContact CG-CG 4.41Å; M271-F349 PolarHBondContact O-N 3.44Å; M271-F349 HydrophobicContact SD-CD2 4.19Å; Y273-F349 HydrophobicContact CD2-CE2 4.17Å; Y273-F349 AromaticContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CG-CZ 4.29Å; L330-F349 HydrophobicContact CB-CB 4.38Å; L330-F349 HydrophobicContact CD1-CB 4.14Å; L330-F349 HydrophobicContact CD1-CD2 4.04Å; L330-F349 HydrophobicContact CD1-CG 4.29Å; Q331-F349 WeakPolarHBondContact O-CA 3.22Å; V332-F349 HydrophobicContact CB-CD1 4.39Å; V332-F349 HydrophobicContact CB-CE1 4.43Å; V332-F349 HydrophobicContact CG1-CE1 4.42Å; V332-F349 HydrophobicContact CG2-CD1 3.81Å; V332-F349 HydrophobicContact CG2-CE1 3.55Å; I347-F349 HydrophobicContact CG2-CE1 4.22Å; F349-F363 HydrophobicContact CE2-CD1 4.4Å; F349-F363 HydrophobicContact CZ-CD1 4.13Å; F349-F363 HydrophobicContact CZ-CD2 4.5Å; F349-F363 HydrophobicContact CZ-CE1 4.16Å; F349-F363 HydrophobicContact CZ-CG 4.3Å; F349-F363 HydrophobicContact CZ-CZ 4.37Å |
| 350 | F | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.1 | 173.8 | -74.7 | -101.9 | 0 | 0 | 0 | 110.5 | Y205 V211 I219 V237 N267 S268 F269 L330 Q331 Y333 A348 | Y205-F350 AromaticContact CE1-CE1 3.92Å; Y205-F350 HydrophobicContact CE1-CE1 3.92Å; Y205-F350 AromaticContact CE1-CZ 3.8Å; Y205-F350 HydrophobicContact CE1-CZ 3.8Å; V211-F350 HydrophobicContact CB-CD1 3.79Å; V211-F350 HydrophobicContact CB-CE1 3.89Å; V211-F350 HydrophobicContact CB-CG 4.41Å; V211-F350 HydrophobicContact CG1-CB 4.07Å; V211-F350 HydrophobicContact CG1-CD1 3.58Å; V211-F350 HydrophobicContact CG1-CE1 4.21Å; V211-F350 HydrophobicContact CG1-CG 3.92Å; I219-F350 HydrophobicContact CD1-CE2 3.99Å; I219-F350 HydrophobicContact CD1-CZ 4.14Å; V237-F350 HydrophobicContact CG2-CE2 4.12Å; V237-F350 HydrophobicContact CG2-CZ 3.91Å; N267-F350 WeakPolarHBondContact O-CD1 3.42Å; S268-F350 VanDerWaalsContact C-CD1 3.48Å; S268-F350 WeakPolarHBondContact O-CA 3.26Å; F269-F350 VanDerWaalsContact CA-CD1 3.5Å; F269-F350 HydrophobicContact CB-CD1 4.02Å; F269-F350 HydrophobicContact CB-CE1 3.55Å; F269-F350 HydrophobicContact CB-CE2 4.45Å; F269-F350 HydrophobicContact CB-CZ 3.79Å; F269-F350 HydrophobicContact CD2-CE2 4.08Å; F269-F350 HydrophobicContact CD2-CZ 4.12Å; F269-F350 HydrophobicContact CG-CZ 4.38Å; L330-F350 CarbonylContact C-O 3.12Å; L330-F350 WeakPolarHBondContact CA-O 3.17Å; Q331-F350 PolarHBondContact N-O 3.17Å; Q331-F350 PolarHBondContact O-N 2.8Å; Y333-F350 HydrophobicContact CD2-CB 4.04Å; Y333-F350 AromaticContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CE2 4.36Å; Y333-F350 HydrophobicContact CD2-CG 4.07Å; Y333-F350 HydrophobicContact CE2-CB 3.95Å; Y333-F350 HydrophobicContact CE2-CD2 4.25Å; Y333-F350 HydrophobicContact CE2-CG 4.3Å; Y333-F350 HydrophobicContact CG-CD2 4.09Å; Y333-F350 HydrophobicContact CG-CE2 4.47Å; A348-F350 HydrophobicContact CB-CD2 4.32Å; A348-F350 HydrophobicContact CB-CE2 3.82Å |
| 351 | A | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 130.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I264 N267 S268 V270 N329 R353 I355 | I264-A351 HydrophobicContact CG2-CB 3.91Å; N267-A351 WeakPolarHBondContact CA-O 3.44Å; N267-A351 PolarHBondContact N-O 3.19Å; S268-A351 PolarHBondContact O-N 2.78Å; V270-A351 HydrophobicContact CG2-CB 4.25Å; N329-A351 CarbonylContact O-C 3.56Å; N329-A351 WeakPolarHBondContact O-CA 3.29Å; A351-R353 WeakPolarHBondContact CB-O 3.15Å; A351-I355 HydrophobicContact CB-CD1 3.85Å; A351-I355 HydrophobicContact CB-CG1 4.27Å |
| 352 | T | 97 | Very high | 97.1 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -79.8 | -24.8 | 178.8 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | K266 P328 N329 Q331 | K266-T352 WeakPolarHBondContact CD-O 3.34Å; K266-T352 WeakPolarHBondContact CE-O 3.24Å; K266-T352 WeakPolarHBondContact CG-O 3.5Å; P328-T352 PolarHBondContact O-OG1 3.32Å; N329-T352 WeakPolarHBondContact CA-OG1 3.21Å; N329-T352 PolarHBondContact O-N 3.46Å; N329-T352 PolarHBondContact O-OG1 3.14Å; Q331-T352 HydrophobicContact CB-CG2 3.57Å |
| 353 | R | 98 | Very high | 97.3 | Very high | 98 Ų | 98 | 35.9 Ų | 35.9 | 37% | 0.37 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -143.7 | 177.9 | 176.6 | 59.9 | 170.4 | 174 | 73.6 | 0 | 110.1 | K266 A351 I355 E359 | K266-R353 WeakPolarHBondContact CA-O 3.34Å; A351-R353 WeakPolarHBondContact CB-O 3.15Å; R353-I355 PolarHBondContact O-N 2.94Å; R353-E359 IonicContact CZ-OE1 2.74Å; R353-E359 IonicContact NH1-OE1 3.67Å; R353-E359 PolarHBondContact NH1-OE1 2.91Å; R353-E359 IonicContact NH1-OE2 3.91Å; R353-E359 PolarHBondContact NH1-OE2 3.32Å; R353-E359 IonicContact NH2-OE1 3.86Å; R353-E359 PolarHBondContact NH2-OE1 3.23Å |
| 354 | T | 98.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 32.6 Ų | 32.6 | 38% | 0.38 | 17% | 0.169 | S | C | . | . | trans | -68.4 | 131 | 169.3 | -64 | 0 | 0 | 0 | 0 | 109 | K263 I264 K266 | K263-T354 HydrophobicContact CD-CG2 4.3Å; K263-T354 HydrophobicContact CG-CG2 4.04Å; I264-T354 CarbonylContact O-C 3.52Å; I264-T354 WeakPolarHBondContact O-CA 3.01Å; K266-T354 PolarHBondContact N-OG1 3.27Å | ||
| 355 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -108.4 | 132.7 | 179.9 | -53.3 | 176.8 | 0 | 0 | 0 | 108 | T260 K263 I264 N329 L330 A351 R353 E359 L361 | T260-I355 HydrophobicContact CG2-CG2 3.78Å; K263-I355 WeakPolarHBondContact CA-O 3.09Å; I264-I355 HydrophobicContact CB-CB 4.16Å; I264-I355 PolarHBondContact N-O 3.1Å; I264-I355 PolarHBondContact O-N 3.15Å; N329-I355 HydrophobicContact CB-CD1 3.95Å; N329-I355 HydrophobicContact CB-CG1 4.06Å; L330-I355 HydrophobicContact CD2-CD1 4.15Å; A351-I355 HydrophobicContact CB-CD1 3.85Å; A351-I355 HydrophobicContact CB-CG1 4.27Å; R353-I355 PolarHBondContact O-N 2.94Å; I355-E359 HydrophobicContact CG2-CB 3.77Å; I355-E359 HydrophobicContact CG2-CG 4.12Å; I355-L361 HydrophobicContact CD1-CD2 3.7Å; I355-L361 HydrophobicContact CG2-CD2 3.99Å |
| 356 | R | 98.6 | Very high | 96.2 | Very high | 196 Ų | 196 | 33.5 Ų | 33.5 | 74% | 0.74 | 17% | 0.173 | S | C | * | . | trans | -84.3 | 154.7 | -177.6 | -61.9 | 178.2 | -178.1 | 171.1 | 1.3 | 110.9 | T260 G358 E359 | T260-R356 WeakPolarHBondContact CG2-O 3.04Å; R356-G358 PolarHBondContact O-N 2.89Å; R356-E359 HydrophobicContact CB-CB 4.5Å; R356-E359 PolarHBondContact N-OE2 2.81Å; R356-E359 WeakPolarHBondContact O-CB 3.46Å; R356-E359 PolarHBondContact O-N 2.78Å; R356-E359 VanDerWaalsContact O-N 3.1Å | ||
| 357 | A | 98.5 | Very high | 95 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 54% | 0.537 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 133.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E359 | A357-E359 VanDerWaalsContact C-N 3.33Š|
| 358 | G | 98.3 | Very high | 93 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 44% | 0.443 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -6.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T260 R356 | T260-G358 WeakPolarHBondContact O-CA 3.26Å; T260-G358 PolarHBondContact O-N 2.78Å; R356-G358 PolarHBondContact O-N 2.89Å |
| 359 | E | 98.6 | Very high | 90.8 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 136.1 | -179.9 | -164 | -174.9 | 138.7 | 0 | 0 | 111.5 | R259 T260 N329 R353 I355 R356 A357 | R259-E359 VanDerWaalsContact CA-O 3.26Å; R259-E359 WeakPolarHBondContact CA-O 3.49Å; R259-E359 WeakPolarHBondContact CB-O 3.49Å; T260-E359 PolarHBondContact N-O 2.93Å; N329-E359 PolarHBondContact ND2-OE1 3.12Å; R353-E359 IonicContact CZ-OE1 2.74Å; R353-E359 IonicContact NH1-OE1 3.67Å; R353-E359 PolarHBondContact NH1-OE1 2.91Å; R353-E359 IonicContact NH1-OE2 3.91Å; R353-E359 PolarHBondContact NH1-OE2 3.32Å; R353-E359 IonicContact NH2-OE1 3.86Å; R353-E359 PolarHBondContact NH2-OE1 3.23Å; I355-E359 HydrophobicContact CG2-CB 3.77Å; I355-E359 HydrophobicContact CG2-CG 4.12Å; R356-E359 HydrophobicContact CB-CB 4.5Å; R356-E359 PolarHBondContact N-OE2 2.81Å; R356-E359 WeakPolarHBondContact O-CB 3.46Å; R356-E359 PolarHBondContact O-N 2.78Å; R356-E359 VanDerWaalsContact O-N 3.1Å; A357-E359 VanDerWaalsContact C-N 3.33Å |
| 360 | E | 98.7 | Very high | 88.2 | Confident | 36 Ų | 36 | 45 Ų | 45 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134.8 | 175 | -174.4 | 176.1 | -171.2 | 0 | 0 | 110.5 | F248 R254 V258 N323 N329 T362 | F248-E360 HydrophobicContact CE1-CB 4.21Å; F248-E360 HydrophobicContact CE1-CG 3.9Å; F248-E360 HydrophobicContact CZ-CB 4.05Å; F248-E360 HydrophobicContact CZ-CG 3.86Å; R254-E360 IonicContact CZ-OE1 2.7Å; R254-E360 IonicContact CZ-OE2 2.72Å; R254-E360 VanDerWaalsContact NH1-CD 3.29Å; R254-E360 IonicContact NH1-OE1 3.45Å; R254-E360 PolarHBondContact NH1-OE1 3.22Å; R254-E360 IonicContact NH1-OE2 3.28Å; R254-E360 PolarHBondContact NH1-OE2 2.7Å; R254-E360 IonicContact NH2-OE1 2.69Å; R254-E360 IonicContact NH2-OE2 2.74Å; R254-E360 PolarHBondContact NH2-OE2 2.9Å; V258-E360 CarbonylContact O-C 3.46Å; V258-E360 WeakPolarHBondContact O-CA 3.28Å; V258-E360 WeakPolarHBondContact O-CG 3.44Å; N323-E360 PolarHBondContact ND2-OE1 3.38Å; N329-E360 PolarHBondContact ND2-O 3.02Å; E360-T362 HydrophobicContact CG-CG2 3.91Å |
| 361 | L | 98.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.2 | 173.2 | -59.2 | -177.1 | 0 | 0 | 0 | 108.4 | L245 V258 T260 I264 V270 M271 V322 N329 L330 I355 | L245-L361 HydrophobicContact CD2-CD1 3.87Å; V258-L361 HydrophobicContact CG1-CD1 3.99Å; V258-L361 PolarHBondContact O-N 2.91Å; T260-L361 HydrophobicContact CG2-CD2 4.37Å; I264-L361 HydrophobicContact CD1-CD2 4.29Å; V270-L361 HydrophobicContact CG1-CD1 3.87Å; M271-L361 HydrophobicContact CE-CD1 3.54Å; V322-L361 WeakPolarHBondContact CG1-O 3.31Å; N329-L361 WeakPolarHBondContact OD1-CA 3.45Å; L330-L361 HydrophobicContact CD1-CB 3.99Å; I355-L361 HydrophobicContact CD1-CD2 3.7Å; I355-L361 HydrophobicContact CG2-CD2 3.99Å |
| 362 | T | 98.3 | Very high | 82.8 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.9 | -176.6 | 58.8 | 0 | 0 | 0 | 0 | 111 | N323 S325 P328 N329 L330 E360 | N323-T362 WeakPolarHBondContact O-CA 3.46Å; N323-T362 WeakPolarHBondContact O-CB 3.23Å; S325-T362 VanDerWaalsContact CB-OG1 3.28Å; S325-T362 WeakPolarHBondContact CB-OG1 3.45Å; P328-T362 WeakPolarHBondContact CB-O 3.32Å; N329-T362 PolarHBondContact N-O 2.84Å; N329-T362 PolarHBondContact OD1-N 3.42Å; N329-T362 PolarHBondContact OD1-O 3.36Å; L330-T362 WeakPolarHBondContact CB-O 3.48Å; L330-T362 PolarHBondContact N-O 3.37Å; E360-T362 HydrophobicContact CG-CG2 3.91Å |
| 363 | F | 95.9 | Very high | 80.3 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 164.8 | 171.3 | 74.4 | -76.6 | 0 | 0 | 0 | 110.7 | F299 V322 N323 H324 S325 P328 L330 F349 Y365 M379 | F299-F363 HydrophobicContact CE2-CE2 4.3Å; V322-F363 HydrophobicContact CB-CD1 4.31Å; V322-F363 HydrophobicContact CB-CE1 4.29Å; V322-F363 HydrophobicContact CG1-CD1 3.62Å; V322-F363 HydrophobicContact CG1-CE1 4.09Å; N323-F363 PolarHBondContact O-N 3.16Å; H324-F363 VanDerWaalsContact CA-O 3.3Å; H324-F363 WeakPolarHBondContact CA-O 3.46Å; H324-F363 PolarHBondContact ND1-O 3.36Å; S325-F363 PolarHBondContact N-O 3.38Å; P328-F363 VanDerWaalsContact CB-CA 3.48Å; L330-F363 HydrophobicContact CB-CB 4.16Å; F349-F363 HydrophobicContact CE2-CD1 4.4Å; F349-F363 HydrophobicContact CZ-CD1 4.13Å; F349-F363 HydrophobicContact CZ-CD2 4.5Å; F349-F363 HydrophobicContact CZ-CE1 4.16Å; F349-F363 HydrophobicContact CZ-CG 4.3Å; F349-F363 HydrophobicContact CZ-CZ 4.37Å; F363-Y365 HydrophobicContact CD1-CD1 4.23Å; F363-Y365 AromaticContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD2-CD1 4.04Å; F363-Y365 AromaticContact CE1-CD1 3.74Å; F363-Y365 HydrophobicContact CE1-CD1 3.74Å; F363-Y365 AromaticContact CE1-CE1 3.31Å; F363-Y365 HydrophobicContact CE1-CE1 3.31Å; F363-Y365 AromaticContact CE2-CD1 3.5Å; F363-Y365 HydrophobicContact CE2-CD1 3.5Å; F363-Y365 AromaticContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CG 4.45Å; F363-Y365 HydrophobicContact CG-CD1 4.38Å; F363-Y365 AromaticContact CZ-CD1 3.33Å; F363-Y365 HydrophobicContact CZ-CD1 3.33Å; F363-Y365 AromaticContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CG 4.42Å; F363-M379 HydrophobicContact CE2-SD 4.41Å; F363-M379 HydrophobicContact CZ-CE 4.26Å; F363-M379 HydrophobicContact CZ-SD 4.13Å |
| 364 | D | 92.6 | Very high | 77.4 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -83.1 | 119.6 | 172.9 | -173.5 | -3.7 | 0 | 0 | 0 | 109.5 | H324 P328 N366 M367 Q368 R408 | H324-D364 IonicContact CE1-OD1 2.7Å; H324-D364 PolarHBondContact CE1-OD1 3.21Å; H324-D364 VanDerWaalsContact CE1-OD1 3.23Å; H324-D364 IonicContact ND1-OD1 3.42Å; P328-D364 HydrophobicContact CG-CB 4.06Å; D364-N366 VanDerWaalsContact C-N 3.31Å; D364-N366 PolarHBondContact O-N 2.96Å; D364-N366 PolarHBondContact OD1-N 3.04Å; D364-M367 WeakPolarHBondContact O-CG 3.49Å; D364-M367 PolarHBondContact O-N 3.37Å; D364-M367 VanDerWaalsContact O-N 3.14Å; D364-Q368 PolarHBondContact OD2-N 2.71Å; D364-R408 IonicContact OD1-CZ 2.66Å; D364-R408 IonicContact OD1-NH1 3.57Å; D364-R408 IonicContact OD1-NH2 3.15Å; D364-R408 PolarHBondContact OD1-NH2 2.64Å; D364-R408 IonicContact OD2-CZ 3.2Å; D364-R408 IonicContact OD2-NH1 3.27Å; D364-R408 PolarHBondContact OD2-NH1 2.88Å; D364-R408 IonicContact OD2-NH2 3.38Å; D364-R408 PolarHBondContact OD2-NH2 3.29Å | ||
| 365 | Y | 88.5 | Confident | 74.7 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.6 | 179.3 | -73.4 | 9.6 | 0 | 0 | 0 | 111.1 | T296 V322 H324 F363 M367 M379 F412 | T296-Y365 VanDerWaalsContact OG1-CE2 3.3Å; T296-Y365 WeakPolarHBondContact OG1-CE2 3.46Å; V322-Y365 PolarHBondContact O-OH 3.36Å; H324-Y365 HydrophobicContact CB-CD1 3.66Å; H324-Y365 HydrophobicContact CB-CD2 3.84Å; H324-Y365 HydrophobicContact CB-CE1 3.68Å; H324-Y365 HydrophobicContact CB-CE2 3.88Å; H324-Y365 HydrophobicContact CB-CG 3.75Å; H324-Y365 VanDerWaalsContact N-CE1 3.27Å; H324-Y365 PolarHBondContact N-OH 3.31Å; H324-Y365 PolarHBondContact ND1-N 2.88Å; H324-Y365 VanDerWaalsContact ND1-N 3.18Å; F363-Y365 HydrophobicContact CD1-CD1 4.23Å; F363-Y365 AromaticContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD2-CD1 4.04Å; F363-Y365 AromaticContact CE1-CD1 3.74Å; F363-Y365 HydrophobicContact CE1-CD1 3.74Å; F363-Y365 AromaticContact CE1-CE1 3.31Å; F363-Y365 HydrophobicContact CE1-CE1 3.31Å; F363-Y365 AromaticContact CE2-CD1 3.5Å; F363-Y365 HydrophobicContact CE2-CD1 3.5Å; F363-Y365 AromaticContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CG 4.45Å; F363-Y365 HydrophobicContact CG-CD1 4.38Å; F363-Y365 AromaticContact CZ-CD1 3.33Å; F363-Y365 HydrophobicContact CZ-CD1 3.33Å; F363-Y365 AromaticContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CG 4.42Å; Y365-M367 PolarHBondContact O-N 3.4Å; Y365-M379 HydrophobicContact CD1-SD 3.87Å; Y365-M379 HydrophobicContact CD2-SD 3.61Å; Y365-M379 HydrophobicContact CE1-SD 4.25Å; Y365-M379 HydrophobicContact CE2-SD 4.01Å; Y365-M379 HydrophobicContact CG-SD 3.52Å; Y365-M379 VanDerWaalsContact CG-SD 3.52Å; Y365-M379 WeakPolarHBondContact O-CB 3.5Å; Y365-M379 PolarHBondContact O-N 2.84Å; Y365-F412 HydrophobicContact CD2-CE1 4.34Å; Y365-F412 AromaticContact CD2-CZ 3.84Å; Y365-F412 HydrophobicContact CD2-CZ 3.84Å |
| 366 | N | 77.3 | Confident | 72.1 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9 | 175.4 | -76.8 | -25.6 | 0 | 0 | 0 | 113 | D364 Q368 L411 F412 | D364-N366 VanDerWaalsContact C-N 3.31Å; D364-N366 PolarHBondContact O-N 2.96Å; D364-N366 PolarHBondContact OD1-N 3.04Å; N366-Q368 VanDerWaalsContact C-N 3.27Å; N366-Q368 HydrophobicContact CB-CG 4.38Å; N366-Q368 PolarHBondContact O-N 3.32Å; N366-L411 PolarHBondContact ND2-O 3.26Å; N366-F412 VanDerWaalsContact ND2-CA 3.34Å; N366-F412 WeakPolarHBondContact ND2-CA 3.35Å; N366-F412 PolarHBondContact ND2-OXT 3.17Å; N366-F412 WeakPolarHBondContact OD1-CD1 3.18Å |
| 367 | M | 69.9 | Low | 69.9 | Low | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | trans | 42.8 | 54.1 | -179.7 | -60.7 | -173.5 | 55.7 | 0 | 0 | 111.9 | F299 V332 D364 Y365 V369 S376 T377 R378 | F299-M367 HydrophobicContact CE2-SD 3.86Å; F299-M367 HydrophobicContact CZ-CE 4.3Å; F299-M367 HydrophobicContact CZ-SD 3.49Å; F299-M367 WeakPolarHBondContact CZ-SD 3.3Å; V332-M367 HydrophobicContact CB-CE 3.27Å; V332-M367 HydrophobicContact CB-SD 4.3Å; V332-M367 HydrophobicContact CG1-CE 3.87Å; V332-M367 HydrophobicContact CG2-CE 3.29Å; V332-M367 HydrophobicContact CG2-SD 3.74Å; D364-M367 WeakPolarHBondContact O-CG 3.49Å; D364-M367 PolarHBondContact O-N 3.37Å; D364-M367 VanDerWaalsContact O-N 3.14Å; Y365-M367 PolarHBondContact O-N 3.4Å; M367-V369 VanDerWaalsContact C-N 3.26Å; M367-V369 PolarHBondContact O-N 3.27Å; M367-S376 WeakPolarHBondContact CE-OG 3.44Å; M367-T377 WeakPolarHBondContact CB-O 3.42Å; M367-T377 WeakPolarHBondContact CE-O 3.47Å; M367-T377 WeakPolarHBondContact CE-OG1 3.43Å; M367-R378 HydrophobicContact CB-CG 4.41Å | ||
| 368 | Q | 55 | Low | 67.8 | Low | 133 Ų | 133 | 56.9 Ų | 56.9 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | trans | -67.1 | 91.3 | 175.4 | -70 | -170.1 | -3.8 | 0 | 0 | 108.8 | D364 N366 | D364-Q368 PolarHBondContact OD2-N 2.71Å; N366-Q368 VanDerWaalsContact C-N 3.27Å; N366-Q368 HydrophobicContact CB-CG 4.38Å; N366-Q368 PolarHBondContact O-N 3.32Å | ||
| 369 | V | 49.8 | Very low | 66 | Low | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | trans | -75.8 | 136 | 165.2 | -172.5 | 0 | 0 | 0 | 0 | 107.1 | M367 D373 | M367-V369 VanDerWaalsContact C-N 3.26Å; M367-V369 PolarHBondContact O-N 3.27Å; V369-D373 HydrophobicContact CG1-CB 3.56Å; V369-D373 WeakPolarHBondContact CG1-O 3.35Å | ||
| 370 | D | 43.8 | Very low | 63.7 | Low | 121 Ų | 121 | 54.2 Ų | 54.2 | 65% | 0.647 | 28% | 0.28 | S | S | * | . | trans | -45.9 | 137.8 | 177 | -112.6 | -38.6 | 0 | 0 | 0 | 110.1 | V372 D373 | D370-V372 PolarHBondContact O-N 2.7Å; D370-D373 PolarHBondContact O-N 2.73Å | ||
| 371 | P | 38.4 | Very low | 61.4 | Low | 115 Ų | 115 | 54.6 Ų | 54.6 | 75% | 0.747 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -9.2 | -173.6 | -25.2 | 32.8 | 0 | 0 | 0 | 115.8 | ||
| 372 | V | 45.7 | Very low | 58.9 | Low | 127 Ų | 127 | 58.1 Ų | 58.1 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.7 | 178.3 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | D370 | D370-V372 PolarHBondContact O-N 2.7Š|
| 373 | D | 44.4 | Very low | 56.3 | Low | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -123.4 | 38.2 | -174.9 | -71.9 | -34.6 | 0 | 0 | 0 | 112 | R214 V369 D370 E375 | R214-D373 WeakPolarHBondContact CD-OD1 3.28Å; R214-D373 IonicContact CZ-OD1 3.73Å; R214-D373 IonicContact NE-OD1 2.89Å; R214-D373 PolarHBondContact NE-OD1 3.5Å; R214-D373 IonicContact NH1-OD1 3.49Å; R214-D373 PolarHBondContact NH1-OD1 3.33Å; V369-D373 HydrophobicContact CG1-CB 3.56Å; V369-D373 WeakPolarHBondContact CG1-O 3.35Å; D370-D373 PolarHBondContact O-N 2.73Å; D373-E375 PolarHBondContact O-N 2.65Å |
| 374 | M | 36.4 | Very low | 53.5 | Low | 156 Ų | 156 | 60.6 Ų | 60.6 | 77% | 0.768 | 33% | 0.326 | S | S | * | . | trans | -66.4 | 94.4 | -175.5 | -169.3 | 171.7 | 69.6 | 0 | 0 | 112.5 | ||||
| 375 | E | 42.1 | Very low | 50.8 | Low | 140 Ų | 140 | 65.3 Ų | 65.3 | 65% | 0.654 | 35% | 0.35 | S | S | * | . | trans | -179.9 | 99.7 | 153.8 | -101 | 166.4 | -150.5 | 0 | 0 | 107.6 | G216 D373 | G216-E375 WeakPolarHBondContact CA-O 3.41Å; D373-E375 PolarHBondContact O-N 2.65Å | ||
| 376 | S | 43.9 | Very low | 48.3 | Very low | 17 Ų | 17 | 67.2 Ų | 67.2 | 12% | 0.119 | 37% | 0.37 | C | S | . | . | trans | -160.1 | 131 | -175.7 | 166 | 0 | 0 | 0 | 0 | 112.2 | M367 | M367-S376 WeakPolarHBondContact CE-OG 3.44Š| ||
| 377 | T | 51.9 | Low | 46.1 | Very low | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.012 | 41% | 0.405 | C | S | . | . | trans | -23.3 | 132.3 | 153 | 39.2 | 0 | 0 | 0 | 0 | 112.5 | F299 D302 N334 I347 M367 | F299-T377 HydrophobicContact CE1-CG2 3.96Å; D302-T377 WeakPolarHBondContact OD1-CA 3.5Å; D302-T377 PolarHBondContact OD1-N 2.78Å; D302-T377 VanDerWaalsContact OD1-N 3.13Å; N334-T377 WeakPolarHBondContact OD1-CG2 3.5Å; I347-T377 HydrophobicContact CD1-CG2 3.96Å; M367-T377 WeakPolarHBondContact CB-O 3.42Å; M367-T377 WeakPolarHBondContact CE-O 3.47Å; M367-T377 WeakPolarHBondContact CE-OG1 3.43Å | ||
| 378 | R | 55.7 | Low | 44.5 | Very low | 119 Ų | 119 | 77.1 Ų | 77.1 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | trans | -127.4 | 150.3 | 169.9 | -61 | -169.7 | 179.9 | 124.2 | 4 | 109.6 | D300 M367 | D300-R378 PolarHBondContact N-O 3.18Å; M367-R378 HydrophobicContact CB-CG 4.41Å | ||
| 379 | M | 59.5 | Low | 43.4 | Very low | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.02 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -66.9 | 138.6 | 159.7 | -149.9 | 169.8 | -150.2 | 0 | 0 | 106.8 | Y273 T296 L298 F363 Y365 S381 | Y273-M379 HydrophobicContact CE2-CE 4.5Å; T296-M379 WeakPolarHBondContact O-CE 3.27Å; L298-M379 WeakPolarHBondContact O-CG 3.34Å; F363-M379 HydrophobicContact CE2-SD 4.41Å; F363-M379 HydrophobicContact CZ-CE 4.26Å; F363-M379 HydrophobicContact CZ-SD 4.13Å; Y365-M379 HydrophobicContact CD1-SD 3.87Å; Y365-M379 HydrophobicContact CD2-SD 3.61Å; Y365-M379 HydrophobicContact CE1-SD 4.25Å; Y365-M379 HydrophobicContact CE2-SD 4.01Å; Y365-M379 HydrophobicContact CG-SD 3.52Å; Y365-M379 VanDerWaalsContact CG-SD 3.52Å; Y365-M379 WeakPolarHBondContact O-CB 3.5Å; Y365-M379 PolarHBondContact O-N 2.84Å; M379-S381 PolarHBondContact O-N 3.25Å |
| 380 | D | 51.7 | Low | 43 | Very low | 23 Ų | 23 | 79.1 Ų | 79.1 | 12% | 0.123 | 48% | 0.48 | C | S | . | . | trans | -49.6 | 105 | -171.7 | -174.9 | 2.4 | 0 | 0 | 0 | 111.1 | L298 D300 N382 F383 | L298-D380 HydrophobicContact CB-CB 4.39Å; D300-D380 WeakPolarHBondContact OD2-CA 3.44Å; D300-D380 WeakPolarHBondContact OD2-CB 3.4Å; D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.01Å; D380-F383 WeakPolarHBondContact O-CB 2.94Å; D380-F383 PolarHBondContact O-N 3.13Å | ||
| 381 | S | 50.7 | Low | 42.7 | Very low | 45 Ų | 45 | 77.4 Ų | 77.4 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.1 | 179.7 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | M379 F383 | M379-S381 PolarHBondContact O-N 3.25Å; S381-F383 CarbonylContact O-C 3.58Å; S381-F383 PolarHBondContact O-N 2.8Å |
| 382 | N | 46.4 | Very low | 42.4 | Very low | 74 Ų | 74 | 77.5 Ų | 77.5 | 40% | 0.396 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -2.7 | 165.6 | -63.2 | -32.6 | 0 | 0 | 0 | 112.7 | D380 G384 L385 | D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.01Å; N382-G384 PolarHBondContact O-N 3.4Å; N382-L385 PolarHBondContact O-N 3.28Å; N382-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact OD1-CB 3.32Å |
| 383 | F | 42.8 | Very low | 42.2 | Very low | 29 Ų | 29 | 81.2 Ų | 81.2 | 13% | 0.127 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 64.9 | 150.9 | -150.7 | -82.3 | 0 | 0 | 0 | 110.7 | D291 A295 T296 D380 S381 I398 F412 | D291-F383 HydrophobicContact CB-CE2 4.48Å; D291-F383 WeakPolarHBondContact OD1-CD2 3.2Å; D291-F383 WeakPolarHBondContact OD1-CE2 3.17Å; A295-F383 WeakPolarHBondContact O-CE2 3.42Å; T296-F383 HydrophobicContact CG2-CD1 4.39Å; T296-F383 HydrophobicContact CG2-CD2 4Å; T296-F383 HydrophobicContact CG2-CE1 4.23Å; T296-F383 HydrophobicContact CG2-CE2 3.8Å; T296-F383 HydrophobicContact CG2-CG 4.28Å; T296-F383 HydrophobicContact CG2-CZ 3.92Å; D380-F383 WeakPolarHBondContact O-CB 2.94Å; D380-F383 PolarHBondContact O-N 3.13Å; S381-F383 CarbonylContact O-C 3.58Å; S381-F383 PolarHBondContact O-N 2.8Å; F383-I398 HydrophobicContact CE1-CD1 3.37Å; F383-I398 HydrophobicContact CE1-CG1 3.97Å; F383-I398 HydrophobicContact CZ-CD1 3.63Å; F383-F412 HydrophobicContact CB-CD1 4.18Å; F383-F412 HydrophobicContact CB-CD2 3.92Å; F383-F412 HydrophobicContact CB-CE1 4.22Å; F383-F412 HydrophobicContact CB-CE2 3.97Å; F383-F412 HydrophobicContact CB-CG 4.02Å; F383-F412 HydrophobicContact CB-CZ 4.12Å; F383-F412 AromaticContact CD1-CD2 3.29Å; F383-F412 HydrophobicContact CD1-CD2 3.29Å; F383-F412 AromaticContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CG 4.17Å; F383-F412 HydrophobicContact CD1-CZ 4.26Å; F383-F412 HydrophobicContact CE1-CD2 4.12Å; F383-F412 AromaticContact CE1-CE2 3.97Å; F383-F412 HydrophobicContact CE1-CE2 3.97Å; F383-F412 AromaticContact CG-CD2 3.86Å; F383-F412 HydrophobicContact CG-CD2 3.86Å; F383-F412 AromaticContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CG 4.46Å; F383-F412 HydrophobicContact CG-CZ 4.14Å; F383-F412 WeakPolarHBondContact O-CB 3.4Å |
| 384 | G | 37.2 | Very low | 42.3 | Very low | 36 Ų | 36 | 89.1 Ų | 89.1 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 138.4 | -3.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | N382 R395 | N382-G384 PolarHBondContact O-N 3.4Å; G384-R395 WeakPolarHBondContact O-CD 3.49Å; G384-R395 PolarHBondContact O-NE 3.19Å; G384-R395 PolarHBondContact O-NH1 3.16Å |
| 385 | L | 35.7 | Very low | 43.1 | Very low | 115 Ų | 115 | 88.6 Ų | 88.6 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | trans | -122.8 | 87.6 | -176.6 | -102.5 | 110.3 | 0 | 0 | 0 | 114.1 | N382 | N382-L385 PolarHBondContact O-N 3.28Å; N382-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 386 | A | 36.3 | Very low | 44.1 | Very low | 58 Ų | 58 | 88 Ų | 88 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | trans | -107.3 | 95.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R395 | A386-R395 VanDerWaalsContact N-NH2 3.13Å; A386-R395 PolarHBondContact O-NH2 3.14Å | ||
| 387 | G | 30.3 | Very low | 45.6 | Very low | 78 Ų | 78 | 95.6 Ų | 95.6 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | trans | -104.8 | 28.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 388 | L | 37.7 | Very low | 47 | Very low | 149 Ų | 149 | 97.7 Ų | 97.7 | 78% | 0.78 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -103 | 139.3 | 175.2 | -76.4 | 164.5 | 0 | 0 | 0 | 111.4 | G390 | L388-G390 PolarHBondContact O-N 2.8Š|
| 389 | P | 31.5 | Very low | 48.7 | Very low | 131 Ų | 131 | 98.2 Ų | 98.2 | 85% | 0.851 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 113.4 | -178.3 | 20.6 | -14.8 | 0 | 0 | 0 | 110.6 | ||
| 390 | G | 41.2 | Very low | 50.2 | Low | 79 Ų | 79 | 98.4 Ų | 98.4 | 81% | 0.814 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.4 | -1.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | L388 | L388-G390 PolarHBondContact O-N 2.8Š|
| 391 | S | 36.4 | Very low | 52.2 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | trans | -96.1 | 120.9 | -176.3 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | K393 | S391-K393 PolarHBondContact O-N 3.24Š| ||
| 392 | P | 32.7 | Very low | 54.3 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 76% | 0.76 | 56% | 0.563 | S | S | * | * | trans | -90.2 | 102.4 | 175.3 | 32.2 | -26.7 | 0 | 0 | 0 | 110.3 | ||||
| 393 | K | 42.2 | Very low | 56.6 | Low | 205 Ų | 205 | 100.8 Ų | 100.8 | 89% | 0.891 | 58% | 0.582 | S | S | * | * | trans | 179.2 | 127.5 | 150 | -97.4 | 156.1 | -165.3 | -172.4 | 0 | 111.2 | S391 R395 | S391-K393 PolarHBondContact O-N 3.24Å; K393-R395 PolarHBondContact O-N 2.66Å | ||
| 394 | K | 46.1 | Very low | 59 | Low | 210 Ų | 210 | 101 Ų | 101 | 91% | 0.913 | 59% | 0.585 | S | S | * | * | trans | -59 | 125.6 | 173 | -79.8 | 177 | 172.8 | 178 | 0 | 109.9 | ||||
| 395 | R | 54 | Low | 61.7 | Low | 144 Ų | 144 | 109.2 Ų | 109.2 | 54% | 0.543 | 61% | 0.614 | S | S | . | * | trans | -58 | 138.3 | 179.1 | -57.7 | -179.3 | -171 | 160 | 4.8 | 111.4 | G384 A386 K393 | G384-R395 WeakPolarHBondContact O-CD 3.49Å; G384-R395 PolarHBondContact O-NE 3.19Å; G384-R395 PolarHBondContact O-NH1 3.16Å; A386-R395 VanDerWaalsContact N-NH2 3.13Å; A386-R395 PolarHBondContact O-NH2 3.14Å; K393-R395 PolarHBondContact O-N 2.66Å | ||
| 396 | V | 62.5 | Low | 64.4 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | trans | -92 | 104.8 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | I398 | V396-I398 PolarHBondContact O-N 2.99Š| ||
| 397 | R | 74.9 | Confident | 67.1 | Low | 177 Ų | 177 | 105.7 Ų | 105.7 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 123.7 | 170.3 | -66.7 | -174.7 | 173.6 | 177 | -3.7 | 109.1 | Y410 | R397-Y410 HydrophobicContact CB-CD1 3.44Å; R397-Y410 VanDerWaalsContact CB-CD1 3.44Å; R397-Y410 HydrophobicContact CB-CE1 3.58Å; R397-Y410 HydrophobicContact CB-CG 4.19Å; R397-Y410 HydrophobicContact CG-CD1 4.33Å; R397-Y410 HydrophobicContact CG-CE1 4.42Å |
| 398 | I | 82.2 | Confident | 70.1 | Confident | 46 Ų | 46 | 105.3 Ų | 105.3 | 24% | 0.236 | 57% | 0.57 | C | S | . | * | P | Polyproline II helix | trans | -81.4 | 123.5 | 176.2 | -56.6 | -177.2 | 0 | 0 | 0 | 109 | F383 V396 Y410 L411 | F383-I398 HydrophobicContact CE1-CD1 3.37Å; F383-I398 HydrophobicContact CE1-CG1 3.97Å; F383-I398 HydrophobicContact CZ-CD1 3.63Å; V396-I398 PolarHBondContact O-N 2.99Å; I398-Y410 WeakPolarHBondContact O-CA 3.34Å; I398-L411 HydrophobicContact CB-CD1 3.91Å; I398-L411 HydrophobicContact CB-CG 4.22Å; I398-L411 HydrophobicContact CG2-CD1 3.47Å; I398-L411 VanDerWaalsContact CG2-CD1 3.47Å; I398-L411 HydrophobicContact CG2-CG 3.98Å; I398-L411 PolarHBondContact O-N 2.66Å; I398-L411 VanDerWaalsContact O-N 3.07Å |
| 399 | E | 89.8 | Confident | 72.6 | Confident | 129 Ų | 129 | 105 Ų | 105 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | B | Isolated β-bridge | trans | -65.1 | 130.1 | 178.1 | -176 | -179.4 | -154.5 | 0 | 0 | 111 | K409 | E399-K409 WeakPolarHBondContact CA-O 3.48Å |
| 400 | C | 92.9 | Very high | 75.2 | Confident | 9 Ų | 9 | 103.2 Ų | 103.2 | 6% | 0.061 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 124.5 | 173.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | H324 C402 C407 K409 L411 | H324-C400 PolarHBondContact CD2-SG 2.66Å; C400-C402 PolarHBondContact SG-SG 2.89Å; C400-C407 VanDerWaalsContact SG-SG 3.63Å; C400-K409 PolarHBondContact N-O 3.37Å; C400-L411 HydrophobicContact CB-CD2 3.98Å |
| 401 | K | 93.9 | Very high | 77.2 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | trans | -113.8 | 30.2 | 179.2 | -59.9 | -173.2 | 178.7 | -178.5 | 0 | 113.2 | D252 R254 G403 | D252-K401 VanDerWaalsContact O-CD 3.3Å; D252-K401 WeakPolarHBondContact O-CD 3.28Å; D252-K401 PolarHBondContact O-NZ 3.5Å; R254-K401 HydrophobicContact CG-CB 3.93Å; R254-K401 PolarHBondContact NE-O 3.23Å; K401-G403 PolarHBondContact O-N 3.33Å | ||
| 402 | C | 94.4 | Very high | 79.1 | Confident | 20 Ų | 20 | 100.1 Ų | 100.1 | 14% | 0.135 | 49% | 0.494 | C | S | . | . | trans | -67.7 | -15.7 | -177.8 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | C400 T404 | C400-C402 PolarHBondContact SG-SG 2.89Å; C402-T404 VanDerWaalsContact C-N 3.25Å; C402-T404 HydrophobicContact CB-CG2 4.4Å; C402-T404 PolarHBondContact O-N 3.32Å; C402-T404 PolarHBondContact SG-OG1 3.04Å; C402-T404 VanDerWaalsContact SG-OG1 3.35Å | ||
| 403 | G | 93.5 | Very high | 81.4 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 79% | 0.794 | 48% | 0.48 | S | S | * | . | trans | 75.8 | 3.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K401 | K401-G403 PolarHBondContact O-N 3.33Š| ||
| 404 | T | 93.8 | Very high | 83.5 | Confident | 32 Ų | 32 | 93.7 Ų | 93.7 | 20% | 0.196 | 46% | 0.459 | C | S | . | . | trans | -77.6 | 148.2 | 178.8 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | D327 C402 S406 C407 | D327-T404 HydrophobicContact CB-CG2 3.8Å; C402-T404 VanDerWaalsContact C-N 3.25Å; C402-T404 HydrophobicContact CB-CG2 4.4Å; C402-T404 PolarHBondContact O-N 3.32Å; C402-T404 PolarHBondContact SG-OG1 3.04Å; C402-T404 VanDerWaalsContact SG-OG1 3.35Å; T404-S406 PolarHBondContact O-N 2.94Å; T404-C407 WeakPolarHBondContact O-CB 3.41Å; T404-C407 PolarHBondContact O-N 2.98Å; T404-C407 VanDerWaalsContact O-N 3.16Å; T404-C407 PolarHBondContact OG1-N 3.42Å | ||
| 405 | E | 93.6 | Very high | 85.6 | Confident | 210 Ų | 210 | 87.3 Ų | 87.3 | 98% | 0.981 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.6 | 177.5 | -64.9 | -176.8 | 175 | 0 | 0 | 112.1 | C407 | E405-C407 VanDerWaalsContact C-N 3.28Å; E405-C407 PolarHBondContact O-N 3.49Å |
| 406 | S | 92.1 | Very high | 87.5 | Confident | 78 Ų | 78 | 83.9 Ų | 83.9 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 14.9 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 114 | T404 R408 | T404-S406 PolarHBondContact O-N 2.94Å; S406-R408 PolarHBondContact O-N 3.11Å |
| 407 | C | 93.7 | Very high | 89 | Confident | 21 Ų | 21 | 81.2 Ų | 81.2 | 14% | 0.142 | 41% | 0.405 | C | S | . | . | trans | -58.2 | 128 | -176.1 | 174.2 | 0 | 0 | 0 | 0 | 112.9 | C400 T404 E405 K409 | C400-C407 VanDerWaalsContact SG-SG 3.63Å; T404-C407 WeakPolarHBondContact O-CB 3.41Å; T404-C407 PolarHBondContact O-N 2.98Å; T404-C407 VanDerWaalsContact O-N 3.16Å; T404-C407 PolarHBondContact OG1-N 3.42Å; E405-C407 VanDerWaalsContact C-N 3.28Å; E405-C407 PolarHBondContact O-N 3.49Å; C407-K409 PolarHBondContact O-N 3.27Å; C407-K409 VanDerWaalsContact O-N 3.13Å; C407-K409 PolarHBondContact SG-N 3.37Å | ||
| 408 | R | 92.6 | Very high | 90 | Very high | 70 Ų | 70 | 74.8 Ų | 74.8 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | trans | -74 | 5.5 | 179.1 | -59.2 | -172.9 | -59 | -109.7 | 1.1 | 114.6 | H324 C326 D364 S406 Y410 | H324-R408 PolarHBondContact CE1-NH2 2.96Å; H324-R408 VanDerWaalsContact CE1-NH2 3.25Å; C326-R408 HydrophobicContact CB-CG 4.46Å; C326-R408 PolarHBondContact SG-N 2.77Å; D364-R408 IonicContact OD1-CZ 2.66Å; D364-R408 IonicContact OD1-NH1 3.57Å; D364-R408 IonicContact OD1-NH2 3.15Å; D364-R408 PolarHBondContact OD1-NH2 2.64Å; D364-R408 IonicContact OD2-CZ 3.2Å; D364-R408 IonicContact OD2-NH1 3.27Å; D364-R408 PolarHBondContact OD2-NH1 2.88Å; D364-R408 IonicContact OD2-NH2 3.38Å; D364-R408 PolarHBondContact OD2-NH2 3.29Å; S406-R408 PolarHBondContact O-N 3.11Å; R408-Y410 PolarHBondContact O-N 3.48Å | ||
| 409 | K | 90.1 | Very high | 90.5 | Very high | 141 Ų | 141 | 76.9 Ų | 76.9 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 68.1 | -25.6 | -179.9 | -51.3 | -60.3 | -179.8 | -175.2 | 0 | 116.5 | E399 C400 C407 | E399-K409 WeakPolarHBondContact CA-O 3.48Å; C400-K409 PolarHBondContact N-O 3.37Å; C407-K409 PolarHBondContact O-N 3.27Å; C407-K409 VanDerWaalsContact O-N 3.13Å; C407-K409 PolarHBondContact SG-N 3.37Å |
| 410 | Y | 87.7 | Confident | 90.6 | Very high | 94 Ų | 94 | 72.8 Ų | 72.8 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -127.9 | 151.4 | 178.4 | -58.5 | -72.9 | 0 | 0 | 0 | 110.9 | R397 I398 R408 | R397-Y410 HydrophobicContact CB-CD1 3.44Å; R397-Y410 VanDerWaalsContact CB-CD1 3.44Å; R397-Y410 HydrophobicContact CB-CE1 3.58Å; R397-Y410 HydrophobicContact CB-CG 4.19Å; R397-Y410 HydrophobicContact CG-CD1 4.33Å; R397-Y410 HydrophobicContact CG-CE1 4.42Å; I398-Y410 WeakPolarHBondContact O-CA 3.34Å; R408-Y410 PolarHBondContact O-N 3.48Å |
| 411 | L | 83.3 | Confident | 90.4 | Very high | 26 Ų | 26 | 78.2 Ų | 78.2 | 14% | 0.136 | 41% | 0.409 | C | S | . | . | trans | -64.8 | -43.8 | 177.9 | -63.3 | -175.4 | 0 | 0 | 0 | 111.3 | H324 N366 I398 C400 | H324-L411 HydrophobicContact CB-CD2 3.91Å; H324-L411 VanDerWaalsContact CD2-CD2 3.48Å; H324-L411 WeakPolarHBondContact CD2-CD2 3.46Å; N366-L411 PolarHBondContact ND2-O 3.26Å; I398-L411 HydrophobicContact CB-CD1 3.91Å; I398-L411 HydrophobicContact CB-CG 4.22Å; I398-L411 HydrophobicContact CG2-CD1 3.47Å; I398-L411 VanDerWaalsContact CG2-CD1 3.47Å; I398-L411 HydrophobicContact CG2-CG 3.98Å; I398-L411 PolarHBondContact O-N 2.66Å; I398-L411 VanDerWaalsContact O-N 3.07Å; C400-L411 HydrophobicContact CB-CD2 3.98Å | ||
| 412 | F | 75.8 | Confident | 90.1 | Very high | 74 Ų | 74 | 76.6 Ų | 76.6 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | trans | -113 | 0 | -179.1 | -55.9 | -81.5 | 0 | 0 | 0 | 111.6 | T296 Y365 N366 F383 | T296-F412 HydrophobicContact CG2-CE2 3.42Å; T296-F412 VanDerWaalsContact CG2-CE2 3.42Å; T296-F412 HydrophobicContact CG2-CZ 3.43Å; T296-F412 VanDerWaalsContact CG2-CZ 3.43Å; Y365-F412 HydrophobicContact CD2-CE1 4.34Å; Y365-F412 AromaticContact CD2-CZ 3.84Å; Y365-F412 HydrophobicContact CD2-CZ 3.84Å; N366-F412 VanDerWaalsContact ND2-CA 3.34Å; N366-F412 WeakPolarHBondContact ND2-CA 3.35Å; N366-F412 PolarHBondContact ND2-OXT 3.17Å; N366-F412 WeakPolarHBondContact OD1-CD1 3.18Å; F383-F412 HydrophobicContact CB-CD1 4.18Å; F383-F412 HydrophobicContact CB-CD2 3.92Å; F383-F412 HydrophobicContact CB-CE1 4.22Å; F383-F412 HydrophobicContact CB-CE2 3.97Å; F383-F412 HydrophobicContact CB-CG 4.02Å; F383-F412 HydrophobicContact CB-CZ 4.12Å; F383-F412 AromaticContact CD1-CD2 3.29Å; F383-F412 HydrophobicContact CD1-CD2 3.29Å; F383-F412 AromaticContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CG 4.17Å; F383-F412 HydrophobicContact CD1-CZ 4.26Å; F383-F412 HydrophobicContact CE1-CD2 4.12Å; F383-F412 AromaticContact CE1-CE2 3.97Å; F383-F412 HydrophobicContact CE1-CE2 3.97Å; F383-F412 AromaticContact CG-CD2 3.86Å; F383-F412 HydrophobicContact CG-CD2 3.86Å; F383-F412 AromaticContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CG 4.46Å; F383-F412 HydrophobicContact CG-CZ 4.14Å; F383-F412 WeakPolarHBondContact O-CB 3.4Å |
Retrieved 412 of 412 residues in 960.1 ms
(Link to these results)