| 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 | 41.1 | Very low | 38 | Very low | 221 Ų | 221 | 161 Ų | 161 | 100% | 1.089 | 77% | 0.77 | S | S | * | * | 0 | -25.3 | 0 | -122.5 | 163.7 | -167.3 | 0 | 0 | 114.4 | |||||
| 2 | F | 27.4 | Very low | 42.4 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -91.1 | -10.5 | 172.2 | -94.9 | -92.3 | 0 | 0 | 0 | 115.5 | ||||
| 3 | L | 29.2 | Very low | 46.4 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -86.3 | -23.2 | -173.7 | -99.5 | 102.8 | 0 | 0 | 0 | 115.3 | F5 | L3-F5 VanDerWaalsContact C-N 3.35Š|
| 4 | T | 36 | Very low | 49.9 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -76.8 | -22.6 | -177.2 | -1.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 5 | F | 29.1 | Very low | 53 | Low | 184 Ų | 184 | 132.5 Ų | 132.5 | 81% | 0.807 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -80.8 | -16.5 | 179.3 | -114.2 | -94.2 | 0 | 0 | 0 | 114.3 | L3 F7 | L3-F5 VanDerWaalsContact C-N 3.35Å; F5-F7 VanDerWaalsContact C-N 3.34Å |
| 6 | Y | 26.8 | Very low | 55.6 | Low | 174 Ų | 174 | 130.8 Ų | 130.8 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -86.1 | -3.1 | -178.7 | -126.9 | -86.7 | 0 | 0 | 0 | 113.8 | Q8 K9 | Y6-Q8 VanDerWaalsContact C-N 3.35Å; Y6-K9 HydrophobicContact CD1-CD 4.44Å; Y6-K9 HydrophobicContact CD1-CG 4.47Å |
| 7 | F | 29.5 | Very low | 58 | Low | 189 Ų | 189 | 125.7 Ų | 125.7 | 83% | 0.829 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -85.5 | -2.2 | -179.9 | -114.6 | -82.4 | 0 | 0 | 0 | 114.5 | F5 K9 | F5-F7 VanDerWaalsContact C-N 3.34Å; F7-K9 PolarHBondContact O-N 2.97Å |
| 8 | Q | 31 | Very low | 60 | Low | 165 Ų | 165 | 121.5 Ų | 121.5 | 77% | 0.771 | 59% | 0.592 | S | S | * | * | trans | -75.5 | 32 | 161 | -137.6 | 173.8 | 2.4 | 0 | 0 | 111.5 | Y6 M10 | Y6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-M10 PolarHBondContact O-N 2.89Å | ||
| 9 | K | 39.3 | Very low | 61.9 | Low | 154 Ų | 154 | 118.9 Ų | 118.9 | 67% | 0.67 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -75.7 | 106.7 | 172.2 | -108.4 | -177.5 | 175.9 | 177.2 | 0 | 107.1 | Y6 F7 | Y6-K9 HydrophobicContact CD1-CD 4.44Å; Y6-K9 HydrophobicContact CD1-CG 4.47Å; F7-K9 PolarHBondContact O-N 2.97Å |
| 10 | M | 52.4 | Low | 63.6 | Low | 167 Ų | 167 | 114.9 Ų | 114.9 | 82% | 0.823 | 57% | 0.572 | S | S | * | * | trans | 21.6 | 103.2 | 168.1 | -60.4 | -160.2 | 174 | 0 | 0 | 114.4 | Q8 I12 | Q8-M10 PolarHBondContact O-N 2.89Å; M10-I12 CarbonylContact O-C 3.5Å; M10-I12 PolarHBondContact O-N 2.91Å | ||
| 11 | A | 75.8 | Confident | 65.2 | Low | 48 Ų | 48 | 109.5 Ų | 109.5 | 40% | 0.397 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -47.6 | -21.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | A72 R73 | A11-A72 HydrophobicContact CB-CB 3.7Å; A11-R73 HydrophobicContact CB-CG 3.91Å |
| 12 | I | 91.4 | Very high | 67.8 | Low | 26 Ų | 26 | 106.4 Ų | 106.4 | 13% | 0.133 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | 174 | -57.6 | 164 | 0 | 0 | 0 | 110.4 | M10 F68 S69 A72 F80 K82 | M10-I12 CarbonylContact O-C 3.5Å; M10-I12 PolarHBondContact O-N 2.91Å; I12-F68 HydrophobicContact CD1-CD1 3.49Å; I12-F68 VanDerWaalsContact CD1-CD1 3.49Å; I12-F68 HydrophobicContact CD1-CE1 3.95Å; I12-F68 HydrophobicContact CD1-CG 4.47Å; I12-F68 HydrophobicContact CG1-CD1 4.1Å; I12-F68 HydrophobicContact CG1-CE1 4.06Å; I12-F68 HydrophobicContact CG2-CE1 4.02Å; I12-S69 WeakPolarHBondContact CD1-OG 3.3Å; I12-A72 HydrophobicContact CD1-CB 4.12Å; I12-A72 HydrophobicContact CG1-CB 3.47Å; I12-A72 VanDerWaalsContact CG1-CB 3.47Å; I12-F80 WeakPolarHBondContact CA-O 3.34Å; I12-F80 HydrophobicContact CG1-CB 3.96Å; I12-K82 HydrophobicContact CD1-CD 4.45Å; I12-K82 HydrophobicContact CG2-CB 3.97Å; I12-K82 HydrophobicContact CG2-CD 3.73Å; I12-K82 HydrophobicContact CG2-CG 3.55Å |
| 13 | K | 94.3 | Very high | 71.1 | Confident | 90 Ų | 90 | 100 Ų | 100 | 39% | 0.391 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.6 | 174.3 | -173.1 | 173.9 | -176.3 | 173.7 | 0 | 111.6 | E24 F80 L81 K82 | K13-E24 HydrophobicContact CD-CG 4.35Å; K13-E24 WeakPolarHBondContact CD-OE2 3.34Å; K13-E24 VanDerWaalsContact CE-CD 3.46Å; K13-E24 WeakPolarHBondContact CE-OE1 3.49Å; K13-E24 WeakPolarHBondContact CE-OE2 3.4Å; K13-E24 IonicContact NZ-OE1 3.28Å; K13-E24 PolarHBondContact NZ-OE1 3.35Å; K13-E24 IonicContact NZ-OE2 3.84Å; K13-E24 PolarHBondContact NZ-OE2 3.22Å; K13-F80 PolarHBondContact N-O 2.74Å; K13-L81 HydrophobicContact CB-CD2 3.8Å; K13-L81 HydrophobicContact CD-CD2 4.45Å; K13-L81 HydrophobicContact CG-CD2 4.46Å; K13-L81 CarbonylContact O-C 3.54Å; K13-L81 VanDerWaalsContact O-CA 3.28Å; K13-L81 WeakPolarHBondContact O-CA 3.45Å; K13-K82 PolarHBondContact O-N 2.81Å |
| 14 | E | 94.8 | Very high | 74.2 | Confident | 96 Ų | 96 | 94.1 Ų | 94.1 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.2 | 173.9 | -174.5 | 158.1 | -146.1 | 0 | 0 | 111.7 | Q20 Y38 | E14-Q20 PolarHBondContact O-NE2 3.23Å; E14-Y38 PolarHBondContact OE1-OH 3.25Å |
| 15 | I | 96.6 | Very high | 77.1 | Confident | 5 Ų | 5 | 88.9 Ų | 88.9 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.7 | 178.5 | -58.6 | -58.7 | 0 | 0 | 0 | 109.1 | S17 Q20 F21 E24 L81 K82 V83 L88 | I15-S17 WeakPolarHBondContact CG2-O 3.44Å; I15-Q20 HydrophobicContact CD1-CG 4.16Å; I15-F21 HydrophobicContact CG1-CD2 4.32Å; I15-F21 HydrophobicContact CG2-CB 3.75Å; I15-F21 HydrophobicContact CG2-CD2 4.28Å; I15-F21 HydrophobicContact CG2-CG 4.47Å; I15-E24 HydrophobicContact CD1-CB 4.43Å; I15-E24 HydrophobicContact CD1-CG 3.68Å; I15-L81 HydrophobicContact CD1-CB 4.48Å; I15-L81 HydrophobicContact CD1-CD1 4.11Å; I15-L81 HydrophobicContact CD1-CD2 4.12Å; I15-L81 HydrophobicContact CD1-CG 4.47Å; I15-L81 HydrophobicContact CG1-CB 4.19Å; I15-L81 HydrophobicContact CG1-CD1 4.43Å; I15-K82 WeakPolarHBondContact CB-O 3.5Å; I15-K82 PolarHBondContact N-O 3.33Å; I15-V83 HydrophobicContact CB-CG2 3.88Å; I15-V83 HydrophobicContact CG1-CG2 3.96Å; I15-V83 HydrophobicContact CG2-CG2 4.26Å; I15-L88 HydrophobicContact CB-CD1 4.36Å; I15-L88 HydrophobicContact CG2-CD1 3.79Å; I15-L88 WeakPolarHBondContact O-CD1 3.17Å |
| 16 | T | 95.1 | Very high | 80.2 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 64% | 0.644 | 43% | 0.429 | S | S | * | . | trans | -116.7 | -7.6 | -175.1 | 64.7 | 0 | 0 | 0 | 0 | 113.4 | Q20 | T16-Q20 PolarHBondContact OG1-OE1 2.9Š| ||
| 17 | S | 96 | Very high | 83.4 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -157.1 | 159 | 177.5 | 67 | 0 | 0 | 0 | 0 | 112.2 | I15 A19 Q20 F21 | I15-S17 WeakPolarHBondContact CG2-O 3.44Å; S17-A19 VanDerWaalsContact C-N 3.28Å; S17-A19 PolarHBondContact O-N 3.16Å; S17-Q20 PolarHBondContact O-N 2.95Å; S17-Q20 WeakPolarHBondContact OG-CB 3.06Å; S17-Q20 PolarHBondContact OG-N 2.57Å; S17-Q20 VanDerWaalsContact OG-N 3.11Å; S17-F21 PolarHBondContact O-N 2.9Å |
| 18 | M | 94.4 | Very high | 86.4 | Confident | 50 Ų | 50 | 74 Ų | 74 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 172 | 177.8 | 66.1 | 76.3 | 0 | 0 | 112.3 | F21 R22 A90 V91 A94 | M18-F21 PolarHBondContact O-N 3.07Å; M18-R22 WeakPolarHBondContact O-CG 3.46Å; M18-R22 PolarHBondContact O-N 3.18Å; M18-R22 VanDerWaalsContact O-N 3.1Å; M18-R22 HydrophobicContact SD-CG 4.48Å; M18-A90 HydrophobicContact CE-CB 4.34Å; M18-A90 WeakPolarHBondContact CE-O 3.47Å; M18-V91 HydrophobicContact CB-CG2 4.19Å; M18-V91 HydrophobicContact CE-CB 4.25Å; M18-V91 HydrophobicContact CE-CG2 3.78Å; M18-V91 HydrophobicContact SD-CG2 4.06Å; M18-A94 HydrophobicContact CE-CB 4.08Å |
| 19 | A | 96.3 | Very high | 89.2 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | S17 R22 S23 | S17-A19 VanDerWaalsContact C-N 3.28Å; S17-A19 PolarHBondContact O-N 3.16Å; A19-R22 PolarHBondContact O-N 2.85Å; A19-S23 WeakPolarHBondContact O-CB 3.34Å; A19-S23 PolarHBondContact O-N 3.25Å |
| 20 | Q | 96.4 | Very high | 91.7 | Very high | 38 Ų | 38 | 65 Ų | 65 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 174.1 | -173.9 | -170.8 | -2.7 | 0 | 0 | 110.6 | E14 I15 T16 S17 R22 S23 E24 | E14-Q20 PolarHBondContact O-NE2 3.23Å; I15-Q20 HydrophobicContact CD1-CG 4.16Å; T16-Q20 PolarHBondContact OG1-OE1 2.9Å; S17-Q20 PolarHBondContact O-N 2.95Å; S17-Q20 WeakPolarHBondContact OG-CB 3.06Å; S17-Q20 PolarHBondContact OG-N 2.57Å; S17-Q20 VanDerWaalsContact OG-N 3.11Å; Q20-R22 VanDerWaalsContact C-N 3.34Å; Q20-R22 PolarHBondContact O-N 3.01Å; Q20-S23 WeakPolarHBondContact O-CB 3.13Å; Q20-S23 PolarHBondContact O-N 2.82Å; Q20-S23 VanDerWaalsContact O-N 3.11Å; Q20-E24 HydrophobicContact CG-CG 4.26Å; Q20-E24 WeakPolarHBondContact O-CG 3.15Å; Q20-E24 PolarHBondContact O-N 2.96Å |
| 21 | F | 96.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52 | -51.3 | 178.4 | -175.7 | -115.5 | 0 | 0 | 0 | 112.3 | I15 S17 M18 S23 E24 L25 V35 F37 V83 V91 E95 | I15-F21 HydrophobicContact CG1-CD2 4.32Å; I15-F21 HydrophobicContact CG2-CB 3.75Å; I15-F21 HydrophobicContact CG2-CD2 4.28Å; I15-F21 HydrophobicContact CG2-CG 4.47Å; S17-F21 PolarHBondContact O-N 2.9Å; M18-F21 PolarHBondContact O-N 3.07Å; F21-S23 PolarHBondContact O-N 3.12Å; F21-E24 PolarHBondContact O-N 3.5Å; F21-L25 HydrophobicContact CD1-CD1 4.15Å; F21-L25 HydrophobicContact CE1-CD1 3.63Å; F21-L25 HydrophobicContact CE2-CD1 4.31Å; F21-L25 HydrophobicContact CE2-CG 4.49Å; F21-L25 HydrophobicContact CZ-CD1 3.73Å; F21-L25 HydrophobicContact CZ-CG 4.37Å; F21-L25 WeakPolarHBondContact O-CG 3.27Å; F21-L25 PolarHBondContact O-N 2.82Å; F21-L25 VanDerWaalsContact O-N 3.15Å; F21-V35 HydrophobicContact CE2-CG1 4.02Å; F21-V35 HydrophobicContact CE2-CG2 4.03Å; F21-F37 HydrophobicContact CZ-CZ 4.33Å; F21-V83 HydrophobicContact CD2-CG2 4.2Å; F21-V83 HydrophobicContact CE2-CG2 4.28Å; F21-V91 HydrophobicContact CB-CG1 4.48Å; F21-V91 HydrophobicContact CD1-CG1 3.73Å; F21-V91 HydrophobicContact CD2-CG1 4.19Å; F21-V91 HydrophobicContact CE1-CG1 3.93Å; F21-V91 HydrophobicContact CE2-CG1 4.37Å; F21-V91 HydrophobicContact CG-CG1 3.87Å; F21-V91 HydrophobicContact CZ-CG1 4.25Å; F21-E95 HydrophobicContact CE1-CG 4.01Å; F21-E95 WeakPolarHBondContact CE1-OE1 3.26Å; F21-E95 HydrophobicContact CZ-CG 4.13Å |
| 22 | R | 95.7 | Very high | 94.5 | Very high | 155 Ų | 155 | 60.7 Ų | 60.7 | 59% | 0.585 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 178 | -68.7 | 177.4 | -179.3 | -178.9 | -0.7 | 112.3 | M18 A19 Q20 L25 Q26 | M18-R22 WeakPolarHBondContact O-CG 3.46Å; M18-R22 PolarHBondContact O-N 3.18Å; M18-R22 VanDerWaalsContact O-N 3.1Å; M18-R22 HydrophobicContact SD-CG 4.48Å; A19-R22 PolarHBondContact O-N 2.85Å; Q20-R22 VanDerWaalsContact C-N 3.34Å; Q20-R22 PolarHBondContact O-N 3.01Å; R22-L25 PolarHBondContact O-N 3.29Å; R22-Q26 VanDerWaalsContact O-CG 3.31Å; R22-Q26 WeakPolarHBondContact O-CG 3.24Å; R22-Q26 PolarHBondContact O-N 2.96Å |
| 23 | S | 96.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | A19 Q20 F21 Q26 S27 | A19-S23 WeakPolarHBondContact O-CB 3.34Å; A19-S23 PolarHBondContact O-N 3.25Å; Q20-S23 WeakPolarHBondContact O-CB 3.13Å; Q20-S23 PolarHBondContact O-N 2.82Å; Q20-S23 VanDerWaalsContact O-N 3.11Å; F21-S23 PolarHBondContact O-N 3.12Å; S23-Q26 PolarHBondContact O-N 2.86Å; S23-S27 VanDerWaalsContact O-CB 3.3Å; S23-S27 WeakPolarHBondContact O-CB 3.15Å; S23-S27 PolarHBondContact O-N 3.3Å; S23-S27 PolarHBondContact O-OG 2.77Å |
| 24 | E | 95.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 177.6 | -63.7 | -47.4 | 133.2 | 0 | 0 | 111.1 | K13 I15 Q20 F21 Q26 S27 A28 L81 | K13-E24 HydrophobicContact CD-CG 4.35Å; K13-E24 WeakPolarHBondContact CD-OE2 3.34Å; K13-E24 VanDerWaalsContact CE-CD 3.46Å; K13-E24 WeakPolarHBondContact CE-OE1 3.49Å; K13-E24 WeakPolarHBondContact CE-OE2 3.4Å; K13-E24 IonicContact NZ-OE1 3.28Å; K13-E24 PolarHBondContact NZ-OE1 3.35Å; K13-E24 IonicContact NZ-OE2 3.84Å; K13-E24 PolarHBondContact NZ-OE2 3.22Å; I15-E24 HydrophobicContact CD1-CB 4.43Å; I15-E24 HydrophobicContact CD1-CG 3.68Å; Q20-E24 HydrophobicContact CG-CG 4.26Å; Q20-E24 WeakPolarHBondContact O-CG 3.15Å; Q20-E24 PolarHBondContact O-N 2.96Å; F21-E24 PolarHBondContact O-N 3.5Å; E24-Q26 PolarHBondContact O-N 2.93Å; E24-S27 WeakPolarHBondContact CA-OG 3.42Å; E24-S27 PolarHBondContact O-N 2.89Å; E24-S27 PolarHBondContact O-OG 3.3Å; E24-A28 PolarHBondContact O-N 3.36Å; E24-L81 HydrophobicContact CB-CD1 3.81Å; E24-L81 HydrophobicContact CB-CD2 4.33Å; E24-L81 HydrophobicContact CG-CD1 4.41Å; E24-L81 HydrophobicContact CG-CD2 4.27Å |
| 25 | L | 96.1 | Very high | 95 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -33 | 177.6 | -70.6 | -178 | 0 | 0 | 0 | 113.3 | F21 R22 V33 Y106 S109 | F21-L25 HydrophobicContact CD1-CD1 4.15Å; F21-L25 HydrophobicContact CE1-CD1 3.63Å; F21-L25 HydrophobicContact CE2-CD1 4.31Å; F21-L25 HydrophobicContact CE2-CG 4.49Å; F21-L25 HydrophobicContact CZ-CD1 3.73Å; F21-L25 HydrophobicContact CZ-CG 4.37Å; F21-L25 WeakPolarHBondContact O-CG 3.27Å; F21-L25 PolarHBondContact O-N 2.82Å; F21-L25 VanDerWaalsContact O-N 3.15Å; R22-L25 PolarHBondContact O-N 3.29Å; L25-V33 HydrophobicContact CD2-CB 4.1Å; L25-V33 HydrophobicContact CD2-CG1 3.94Å; L25-V33 HydrophobicContact CD2-CG2 4.28Å; L25-Y106 HydrophobicContact CD1-CD1 4.1Å; L25-Y106 HydrophobicContact CD1-CE1 4.19Å; L25-Y106 HydrophobicContact CD2-CD1 4.01Å; L25-Y106 HydrophobicContact CD2-CD2 3.85Å; L25-Y106 HydrophobicContact CD2-CE2 4.44Å; L25-Y106 HydrophobicContact CD2-CG 3.63Å; L25-S109 VanDerWaalsContact C-OG 3.23Å; L25-S109 PolarHBondContact O-OG 3Å |
| 26 | Q | 95.1 | Very high | 95.1 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -77.2 | -44.1 | 176 | -72.6 | 172.6 | 5.8 | 0 | 0 | 111.2 | R22 S23 E24 A28 G29 S109 | R22-Q26 VanDerWaalsContact O-CG 3.31Å; R22-Q26 WeakPolarHBondContact O-CG 3.24Å; R22-Q26 PolarHBondContact O-N 2.96Å; S23-Q26 PolarHBondContact O-N 2.86Å; E24-Q26 PolarHBondContact O-N 2.93Å; Q26-A28 VanDerWaalsContact C-N 3.27Å; Q26-A28 PolarHBondContact O-N 3.37Å; Q26-G29 PolarHBondContact O-N 3.18Å; Q26-S109 WeakPolarHBondContact CA-OG 3.25Å; Q26-S109 PolarHBondContact N-OG 3.12Å |
| 27 | S | 93.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 60% | 0.601 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.3 | -26.5 | -177 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | S23 E24 G29 | S23-S27 VanDerWaalsContact O-CB 3.3Å; S23-S27 WeakPolarHBondContact O-CB 3.15Å; S23-S27 PolarHBondContact O-N 3.3Å; S23-S27 PolarHBondContact O-OG 2.77Å; E24-S27 WeakPolarHBondContact CA-OG 3.42Å; E24-S27 PolarHBondContact O-N 2.89Å; E24-S27 PolarHBondContact O-OG 3.3Å; S27-G29 PolarHBondContact O-N 3.43Å |
| 28 | A | 91.9 | Very high | 95 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E24 Q26 D30 K31 V33 V79 | E24-A28 PolarHBondContact O-N 3.36Å; Q26-A28 VanDerWaalsContact C-N 3.27Å; Q26-A28 PolarHBondContact O-N 3.37Å; A28-D30 PolarHBondContact O-N 3.01Å; A28-K31 WeakPolarHBondContact O-CB 3.2Å; A28-K31 WeakPolarHBondContact O-CG 3.41Å; A28-K31 PolarHBondContact O-N 3.38Å; A28-K31 VanDerWaalsContact O-N 3.09Å; A28-V33 HydrophobicContact CB-CG2 3.27Å; A28-V79 HydrophobicContact CB-CG2 4.17Å |
| 29 | G | 90 | Very high | 94.7 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -115.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q26 S27 R108 | Q26-G29 PolarHBondContact O-N 3.18Å; S27-G29 PolarHBondContact O-N 3.43Å; G29-R108 WeakPolarHBondContact O-CA 3.44Å; G29-R108 PolarHBondContact O-N 3.45Å |
| 30 | D | 90.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 43.6 Ų | 43.6 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.6 | -178.8 | -79.3 | 1.5 | 0 | 0 | 0 | 113.8 | A28 R108 | A28-D30 PolarHBondContact O-N 3.01Å; D30-R108 VanDerWaalsContact OD1-CG 3.24Å; D30-R108 WeakPolarHBondContact OD1-CG 3.35Å; D30-R108 IonicContact OD1-CZ 2.65Å; D30-R108 IonicContact OD1-NE 3.12Å; D30-R108 PolarHBondContact OD1-NE 3.2Å; D30-R108 IonicContact OD1-NH2 3.33Å; D30-R108 PolarHBondContact OD1-NH2 3.36Å; D30-R108 IonicContact OD2-CZ 3.92Å; D30-R108 IonicContact OD2-NE 3.92Å; D30-R108 IonicContact OD2-NH2 3.43Å; D30-R108 PolarHBondContact OD2-NH2 3.43Å |
| 31 | K | 92.2 | Very high | 92.8 | Very high | 116 Ų | 116 | 47 Ų | 47 | 50% | 0.504 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -67.6 | 147.5 | 176.7 | -62.3 | -177.4 | 176.4 | -170.2 | 0 | 111 | A28 V33 V79 | A28-K31 WeakPolarHBondContact O-CB 3.2Å; A28-K31 WeakPolarHBondContact O-CG 3.41Å; A28-K31 PolarHBondContact O-N 3.38Å; A28-K31 VanDerWaalsContact O-N 3.09Å; K31-V33 PolarHBondContact O-N 3.32Å; K31-V79 HydrophobicContact CB-CG2 4.47Å; K31-V79 HydrophobicContact CD-CG2 4.34Å |
| 32 | L | 94.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -64.5 | 131.3 | 167.6 | 174.2 | 62.5 | 0 | 0 | 0 | 109.4 | V34 A78 V79 F105 I107 I127 V131 | L32-V34 HydrophobicContact CD1-CG2 4.39Å; L32-V34 HydrophobicContact CD2-CG2 3.77Å; L32-V34 HydrophobicContact CG-CG2 3.83Å; L32-A78 HydrophobicContact CB-CB 4.05Å; L32-A78 HydrophobicContact CD2-CB 4.33Å; L32-A78 HydrophobicContact CG-CB 4.34Å; L32-A78 CarbonylContact O-C 3.54Å; L32-A78 WeakPolarHBondContact O-CA 3.5Å; L32-V79 PolarHBondContact O-N 2.85Å; L32-F105 HydrophobicContact CD1-CB 4.14Å; L32-F105 HydrophobicContact CD1-CD1 4.06Å; L32-F105 HydrophobicContact CD2-CD1 4.38Å; L32-I107 HydrophobicContact CD1-CG1 4.22Å; L32-I127 HydrophobicContact CD2-CG2 4.5Å; L32-V131 HydrophobicContact CD2-CG2 3.93Å | ||
| 33 | V | 96.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.5 | 166.8 | -170 | 0 | 0 | 0 | 0 | 109.1 | L25 A28 K31 V35 V79 L81 F105 Y106 | L25-V33 HydrophobicContact CD2-CB 4.1Å; L25-V33 HydrophobicContact CD2-CG1 3.94Å; L25-V33 HydrophobicContact CD2-CG2 4.28Å; A28-V33 HydrophobicContact CB-CG2 3.27Å; K31-V33 PolarHBondContact O-N 3.32Å; V33-V35 HydrophobicContact CG1-CG2 4.09Å; V33-V79 CarbonylContact C-O 3.6Å; V33-V79 VanDerWaalsContact CA-O 3.28Å; V33-V79 WeakPolarHBondContact CA-O 3.41Å; V33-V79 HydrophobicContact CG1-CB 4.28Å; V33-V79 HydrophobicContact CG1-CG1 4.27Å; V33-V79 HydrophobicContact CG2-CB 4.2Å; V33-L81 HydrophobicContact CG1-CD1 3.51Å; V33-L81 HydrophobicContact CG1-CG 3.81Å; V33-F105 CarbonylContact O-C 3.55Å; V33-F105 WeakPolarHBondContact O-CA 3.35Å; V33-Y106 PolarHBondContact N-O 2.83Å; V33-Y106 PolarHBondContact O-N 2.84Å |
| 34 | V | 97.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.9 | 175.6 | -164.8 | 0 | 0 | 0 | 0 | 108.6 | L32 F68 V79 F80 L81 A104 F105 L123 I127 | L32-V34 HydrophobicContact CD1-CG2 4.39Å; L32-V34 HydrophobicContact CD2-CG2 3.77Å; L32-V34 HydrophobicContact CG-CG2 3.83Å; V34-F68 HydrophobicContact CB-CE2 4.3Å; V34-F68 HydrophobicContact CG1-CE2 3.78Å; V34-F68 HydrophobicContact CG1-CZ 4.37Å; V34-V79 PolarHBondContact N-O 2.78Å; V34-F80 HydrophobicContact CB-CD1 4.14Å; V34-F80 HydrophobicContact CB-CE1 4.16Å; V34-F80 HydrophobicContact CG2-CE1 4.21Å; V34-F80 HydrophobicContact CG2-CZ 4.33Å; V34-F80 WeakPolarHBondContact O-CA 3.34Å; V34-L81 PolarHBondContact O-N 2.81Å; V34-A104 WeakPolarHBondContact CA-O 3.38Å; V34-F105 HydrophobicContact CG1-CD1 4.41Å; V34-F105 HydrophobicContact CG1-CE1 4.16Å; V34-F105 HydrophobicContact CG1-CZ 4.35Å; V34-F105 HydrophobicContact CG2-CD1 4.2Å; V34-F105 HydrophobicContact CG2-CE1 4.31Å; V34-L123 HydrophobicContact CG1-CD1 4.4Å; V34-I127 HydrophobicContact CG2-CG1 4.21Å |
| 35 | V | 98 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.7 | -175.3 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | F21 V33 F37 L81 V83 F103 A104 Y106 | F21-V35 HydrophobicContact CE2-CG1 4.02Å; F21-V35 HydrophobicContact CE2-CG2 4.03Å; V33-V35 HydrophobicContact CG1-CG2 4.09Å; V35-F37 HydrophobicContact CB-CE2 3.98Å; V35-F37 HydrophobicContact CB-CZ 4.43Å; V35-F37 HydrophobicContact CG1-CD2 4.14Å; V35-F37 HydrophobicContact CG1-CE1 4.32Å; V35-F37 HydrophobicContact CG1-CE2 3.64Å; V35-F37 HydrophobicContact CG1-CZ 3.73Å; V35-L81 WeakPolarHBondContact CA-O 3.49Å; V35-L81 HydrophobicContact CG1-CB 4.31Å; V35-L81 HydrophobicContact CG2-CB 4.16Å; V35-L81 HydrophobicContact CG2-CD1 4.14Å; V35-V83 HydrophobicContact CG1-CB 4.42Å; V35-V83 HydrophobicContact CG1-CG2 3.61Å; V35-F103 CarbonylContact O-C 3.53Å; V35-F103 VanDerWaalsContact O-CA 3.24Å; V35-F103 WeakPolarHBondContact O-CA 3.49Å; V35-A104 PolarHBondContact N-O 3.16Å; V35-A104 PolarHBondContact O-N 2.86Å; V35-Y106 HydrophobicContact CB-CE2 4.08Å; V35-Y106 HydrophobicContact CG2-CD2 3.78Å; V35-Y106 HydrophobicContact CG2-CE2 3.44Å; V35-Y106 VanDerWaalsContact CG2-CE2 3.44Å |
| 36 | D | 97.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 108.5 | 170.8 | 167.7 | 30.5 | 0 | 0 | 0 | 110.2 | F68 L81 K82 V83 F103 | D36-F68 HydrophobicContact CB-CD1 3.89Å; D36-F68 HydrophobicContact CB-CD2 4.27Å; D36-F68 HydrophobicContact CB-CE1 3.61Å; D36-F68 HydrophobicContact CB-CE2 3.99Å; D36-F68 HydrophobicContact CB-CG 4.22Å; D36-F68 HydrophobicContact CB-CZ 3.64Å; D36-L81 PolarHBondContact N-O 2.89Å; D36-K82 HydrophobicContact CB-CG 3.84Å; D36-K82 WeakPolarHBondContact O-CA 3.41Å; D36-K82 WeakPolarHBondContact OD2-CE 3.48Å; D36-K82 IonicContact OD2-NZ 3.53Å; D36-V83 PolarHBondContact O-N 2.8Å; D36-F103 HydrophobicContact CB-CD1 3.84Å; D36-F103 HydrophobicContact CB-CE1 3.66Å |
| 37 | F | 96.4 | Very high | 82 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 110.2 | 167.9 | -65.5 | -85.6 | 0 | 0 | 0 | 109.1 | F21 V35 V83 V85 V91 E95 V97 L100 P101 T102 A104 | F21-F37 HydrophobicContact CZ-CZ 4.33Å; V35-F37 HydrophobicContact CB-CE2 3.98Å; V35-F37 HydrophobicContact CB-CZ 4.43Å; V35-F37 HydrophobicContact CG1-CD2 4.14Å; V35-F37 HydrophobicContact CG1-CE1 4.32Å; V35-F37 HydrophobicContact CG1-CE2 3.64Å; V35-F37 HydrophobicContact CG1-CZ 3.73Å; F37-V83 WeakPolarHBondContact CA-O 3.31Å; F37-V83 HydrophobicContact CD1-CB 3.7Å; F37-V83 HydrophobicContact CD1-CG1 3.81Å; F37-V83 HydrophobicContact CD1-CG2 4.32Å; F37-V83 HydrophobicContact CE1-CB 3.81Å; F37-V83 HydrophobicContact CE1-CG1 3.82Å; F37-V83 HydrophobicContact CE1-CG2 3.96Å; F37-V83 HydrophobicContact CZ-CG2 4.48Å; F37-V85 HydrophobicContact CB-CG1 3.96Å; F37-V85 HydrophobicContact CD1-CG1 4.09Å; F37-V91 HydrophobicContact CE1-CG1 4.05Å; F37-E95 HydrophobicContact CE1-CB 4.31Å; F37-E95 HydrophobicContact CE1-CG 4.36Å; F37-E95 HydrophobicContact CE2-CB 4.47Å; F37-E95 HydrophobicContact CZ-CB 3.87Å; F37-E95 HydrophobicContact CZ-CG 3.82Å; F37-V97 HydrophobicContact CB-CG1 4.19Å; F37-V97 HydrophobicContact CB-CG2 4.11Å; F37-V97 HydrophobicContact CD1-CG2 3.75Å; F37-V97 HydrophobicContact CD2-CG2 3.9Å; F37-V97 HydrophobicContact CE1-CG2 4.12Å; F37-V97 HydrophobicContact CE2-CG2 4.26Å; F37-V97 HydrophobicContact CG-CG2 3.63Å; F37-V97 HydrophobicContact CZ-CG2 4.38Å; F37-L100 HydrophobicContact CB-CD2 4.43Å; F37-L100 VanDerWaalsContact O-CD2 3.29Å; F37-L100 WeakPolarHBondContact O-CD2 3.45Å; F37-P101 WeakPolarHBondContact O-CA 3.38Å; F37-T102 WeakPolarHBondContact CB-O 3.45Å; F37-T102 HydrophobicContact CD2-CG2 4.5Å; F37-T102 WeakPolarHBondContact CD2-O 3.3Å; F37-T102 PolarHBondContact N-O 2.95Å; F37-T102 PolarHBondContact O-N 2.81Å; F37-T102 VanDerWaalsContact O-N 3.09Å; F37-A104 HydrophobicContact CD2-CB 4.47Å; F37-A104 HydrophobicContact CE2-CB 3.86Å |
| 38 | Y | 93.5 | Very high | 80.3 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 166.7 | -174.5 | 80.3 | -76.2 | 0 | 0 | 0 | 111 | E14 E40 K82 V83 N84 V85 | E14-Y38 PolarHBondContact OE1-OH 3.25Å; Y38-E40 HydrophobicContact CE2-CG 4.35Å; Y38-K82 HydrophobicContact CD1-CB 4.2Å; Y38-K82 VanDerWaalsContact CD1-CE 3.42Å; Y38-K82 HydrophobicContact CD1-CG 4.39Å; Y38-K82 HydrophobicContact CE1-CB 3.84Å; Y38-K82 HydrophobicContact CE1-CD 4.47Å; Y38-K82 VanDerWaalsContact CE1-CE 3.43Å; Y38-K82 HydrophobicContact CE1-CG 4.39Å; Y38-V83 WeakPolarHBondContact CD1-O 3.32Å; Y38-V83 PolarHBondContact N-O 2.92Å; Y38-N84 HydrophobicContact CE1-CB 3.89Å; Y38-N84 HydrophobicContact CE2-CB 4.41Å; Y38-N84 CarbonylContact O-C 3.39Å; Y38-N84 WeakPolarHBondContact O-CA 3.43Å; Y38-V85 PolarHBondContact O-N 3Å |
| 39 | A | 88.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | trans | -136 | 148.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | W41 V43 C58 V85 L100 | A39-W41 VanDerWaalsContact C-N 3.27Å; A39-W41 WeakPolarHBondContact CB-O 3.39Å; A39-V43 HydrophobicContact CB-CG2 4.11Å; A39-C58 WeakPolarHBondContact O-CB 3.31Å; A39-V85 HydrophobicContact CB-CG2 3.98Å; A39-L100 HydrophobicContact CB-CD1 3.49Å; A39-L100 VanDerWaalsContact CB-CD1 3.49Å | ||
| 40 | E | 80 | Confident | 77.3 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.3 | -33.9 | 169.2 | -66.1 | -179.4 | 176.5 | 0 | 0 | 110.9 | Y38 R57 C58 | Y38-E40 HydrophobicContact CE2-CG 4.35Å; E40-R57 CarbonylContact O-C 3.53Å; E40-R57 WeakPolarHBondContact O-CA 3.26Å; E40-C58 PolarHBondContact O-N 2.94Å |
| 41 | W | 72.1 | Confident | 75.8 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -124.2 | 152 | -173.1 | -49 | 100.7 | 0 | 0 | 0 | 111.3 | A39 V43 V55 Y56 R57 | A39-W41 VanDerWaalsContact C-N 3.27Å; A39-W41 WeakPolarHBondContact CB-O 3.39Å; W41-V43 PolarHBondContact O-N 2.71Å; W41-V43 VanDerWaalsContact O-N 3.11Å; W41-V55 HydrophobicContact CD2-CG1 3.76Å; W41-V55 HydrophobicContact CE3-CG1 3.21Å; W41-V55 HydrophobicContact CH2-CG1 3.9Å; W41-V55 HydrophobicContact CZ2-CG1 4.39Å; W41-V55 HydrophobicContact CZ3-CG1 3.31Å; W41-Y56 CarbonylContact C-O 3.56Å; W41-Y56 WeakPolarHBondContact CA-O 3.46Å; W41-R57 HydrophobicContact CZ3-CB 4.45Å |
| 42 | F | 65.8 | Low | 74.1 | Confident | 72 Ų | 72 | 58 Ų | 58 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | trans | -61.1 | 114.3 | 170.3 | -81.7 | -87.7 | 0 | 0 | 0 | 110 | C47 V50 Y56 R57 | F42-C47 HydrophobicContact CD1-CB 3.46Å; F42-C47 VanDerWaalsContact CD1-CB 3.46Å; F42-C47 WeakPolarHBondContact CD1-SG 3.43Å; F42-C47 HydrophobicContact CE1-CB 4.01Å; F42-V50 HydrophobicContact CB-CG1 4.38Å; F42-V50 HydrophobicContact CB-CG2 4.37Å; F42-V50 HydrophobicContact CD1-CG2 3.91Å; F42-V50 HydrophobicContact CE1-CG2 4.48Å; F42-V50 HydrophobicContact CG-CG2 4.26Å; F42-Y56 HydrophobicContact CD2-CG 4.38Å; F42-Y56 WeakPolarHBondContact CD2-O 3.41Å; F42-Y56 PolarHBondContact N-O 2.85Å; F42-R57 WeakPolarHBondContact CD2-O 3.48Å; F42-R57 WeakPolarHBondContact CE2-O 3.49Å | ||
| 43 | V | 56.2 | Low | 72.2 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | trans | -92.9 | 125.7 | 172.7 | -167.3 | 0 | 0 | 0 | 0 | 107.9 | A39 W41 V45 Y46 C47 S86 | A39-V43 HydrophobicContact CB-CG2 4.11Å; W41-V43 PolarHBondContact O-N 2.71Å; W41-V43 VanDerWaalsContact O-N 3.11Å; V43-V45 PolarHBondContact O-N 2.92Å; V43-Y46 HydrophobicContact CB-CD2 3.87Å; V43-Y46 HydrophobicContact CB-CE2 4.46Å; V43-Y46 HydrophobicContact CG1-CD2 4.34Å; V43-Y46 HydrophobicContact CG2-CD2 4.34Å; V43-Y46 PolarHBondContact O-N 2.6Å; V43-C47 PolarHBondContact O-N 3.32Å; V43-S86 WeakPolarHBondContact CG2-OG 3.43Å | ||
| 44 | N | 54.8 | Low | 70.2 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -29.5 | -172.9 | -159.6 | -6 | 0 | 0 | 0 | 113.2 | ||
| 45 | V | 60 | Low | 68.2 | Low | 110 Ų | 110 | 77 Ų | 77 | 67% | 0.667 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -39.6 | 177 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | V43 | V43-V45 PolarHBondContact O-N 2.92Š|
| 46 | Y | 57.4 | Low | 66.7 | Low | 36 Ų | 36 | 81.5 Ų | 81.5 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -16.6 | -173.2 | -58.9 | -57.8 | 0 | 0 | 0 | 113.4 | V43 V85 A92 V97 L100 | V43-Y46 HydrophobicContact CB-CD2 3.87Å; V43-Y46 HydrophobicContact CB-CE2 4.46Å; V43-Y46 HydrophobicContact CG1-CD2 4.34Å; V43-Y46 HydrophobicContact CG2-CD2 4.34Å; V43-Y46 PolarHBondContact O-N 2.6Å; Y46-V85 HydrophobicContact CD2-CG2 3.83Å; Y46-V85 HydrophobicContact CE2-CB 3.95Å; Y46-V85 HydrophobicContact CE2-CG2 3.5Å; Y46-A92 WeakPolarHBondContact OH-CB 3.26Å; Y46-V97 WeakPolarHBondContact CE1-O 3.32Å; Y46-L100 HydrophobicContact CD2-CD1 4.16Å; Y46-L100 HydrophobicContact CG-CD1 4.44Å; Y46-L100 HydrophobicContact CG-CG 4.41Å |
| 47 | C | 55.2 | Low | 65.6 | Low | 25 Ų | 25 | 87.7 Ų | 87.7 | 17% | 0.169 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -132.1 | 81.8 | -178.1 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | F42 V43 G49 V50 | F42-C47 HydrophobicContact CD1-CB 3.46Å; F42-C47 VanDerWaalsContact CD1-CB 3.46Å; F42-C47 WeakPolarHBondContact CD1-SG 3.43Å; F42-C47 HydrophobicContact CE1-CB 4.01Å; V43-C47 PolarHBondContact O-N 3.32Å; C47-G49 PolarHBondContact O-N 3.03Å; C47-V50 HydrophobicContact CB-CG2 4Å |
| 48 | R | 57.8 | Low | 64.8 | Low | 244 Ų | 244 | 87.9 Ų | 87.9 | 92% | 0.921 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 126.5 | 174.5 | -66.9 | -174.1 | 178.6 | -177.9 | -0.5 | 109.7 | ||
| 49 | G | 60.2 | Low | 64.3 | Low | 76 Ų | 76 | 87.6 Ų | 87.6 | 78% | 0.784 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.8 | 4.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | C47 | C47-G49 PolarHBondContact O-N 3.03Š|
| 50 | V | 58.4 | Low | 64.3 | Low | 36 Ų | 36 | 89.9 Ų | 89.9 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | trans | -87.2 | 124.5 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | F42 C47 L52 Y56 | F42-V50 HydrophobicContact CB-CG1 4.38Å; F42-V50 HydrophobicContact CB-CG2 4.37Å; F42-V50 HydrophobicContact CD1-CG2 3.91Å; F42-V50 HydrophobicContact CE1-CG2 4.48Å; F42-V50 HydrophobicContact CG-CG2 4.26Å; C47-V50 HydrophobicContact CB-CG2 4Å; V50-L52 PolarHBondContact O-N 3.24Å; V50-Y56 HydrophobicContact CG1-CD2 3.39Å; V50-Y56 HydrophobicContact CG1-CE2 3.67Å | ||
| 51 | P | 59 | Low | 64.7 | Low | 83 Ų | 83 | 85.4 Ų | 85.4 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | trans | -60.1 | 130.4 | 177.5 | -20.9 | 30.5 | 0 | 0 | 0 | 112 | R53 S54 | P51-R53 PolarHBondContact O-N 2.95Å; P51-S54 PolarHBondContact O-N 3.13Å | ||
| 52 | L | 55.5 | Low | 65.3 | Low | 161 Ų | 161 | 82.2 Ų | 82.2 | 84% | 0.843 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -11.5 | -176.4 | -95.2 | 120.2 | 0 | 0 | 0 | 116.4 | V50 | V50-L52 PolarHBondContact O-N 3.24Š|
| 53 | R | 55.5 | Low | 66.2 | Low | 245 Ų | 245 | 82.3 Ų | 82.3 | 93% | 0.925 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 2 | -176.1 | -80.3 | -173.1 | 171.9 | 167.8 | -1.5 | 115.1 | P51 | P51-R53 PolarHBondContact O-N 2.95Š|
| 54 | S | 54.3 | Low | 67.8 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 34% | 0.336 | 42% | 0.416 | S | S | . | . | trans | -116.9 | 112.8 | -178.1 | -67.3 | 0 | 0 | 0 | 0 | 110.8 | P51 Y56 | P51-S54 PolarHBondContact O-N 3.13Å; S54-Y56 WeakPolarHBondContact CB-OH 3.3Å; S54-Y56 VanDerWaalsContact O-CD2 3.31Å; S54-Y56 WeakPolarHBondContact O-CD2 3.23Å; S54-Y56 PolarHBondContact O-N 2.84Å; S54-Y56 PolarHBondContact OG-OH 3.24Å | ||
| 55 | V | 56.7 | Low | 69.4 | Low | 116 Ų | 116 | 77.2 Ų | 77.2 | 70% | 0.703 | 40% | 0.402 | S | S | * | . | trans | -72.7 | 94.8 | 168.6 | 178 | 0 | 0 | 0 | 0 | 107 | W41 | W41-V55 HydrophobicContact CD2-CG1 3.76Å; W41-V55 HydrophobicContact CE3-CG1 3.21Å; W41-V55 HydrophobicContact CH2-CG1 3.9Å; W41-V55 HydrophobicContact CZ2-CG1 4.39Å; W41-V55 HydrophobicContact CZ3-CG1 3.31Å | ||
| 56 | Y | 66 | Low | 70.7 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | trans | -102.4 | 134.3 | 178.3 | -66.7 | -70.2 | 0 | 0 | 0 | 109.8 | W41 F42 V50 S54 | W41-Y56 CarbonylContact C-O 3.56Å; W41-Y56 WeakPolarHBondContact CA-O 3.46Å; F42-Y56 HydrophobicContact CD2-CG 4.38Å; F42-Y56 WeakPolarHBondContact CD2-O 3.41Å; F42-Y56 PolarHBondContact N-O 2.85Å; V50-Y56 HydrophobicContact CG1-CD2 3.39Å; V50-Y56 HydrophobicContact CG1-CE2 3.67Å; S54-Y56 WeakPolarHBondContact CB-OH 3.3Å; S54-Y56 VanDerWaalsContact O-CD2 3.31Å; S54-Y56 WeakPolarHBondContact O-CD2 3.23Å; S54-Y56 PolarHBondContact O-N 2.84Å; S54-Y56 PolarHBondContact OG-OH 3.24Å | ||
| 57 | R | 73.3 | Confident | 72.2 | Confident | 131 Ų | 131 | 72.4 Ų | 72.4 | 49% | 0.494 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -68.2 | 138.5 | 170 | -179.1 | 179.5 | -72.7 | -93 | -4.7 | 109.3 | E40 W41 F42 G59 | E40-R57 CarbonylContact O-C 3.53Å; E40-R57 WeakPolarHBondContact O-CA 3.26Å; W41-R57 HydrophobicContact CZ3-CB 4.45Å; F42-R57 WeakPolarHBondContact CD2-O 3.48Å; F42-R57 WeakPolarHBondContact CE2-O 3.49Å; R57-G59 VanDerWaalsContact C-N 3.35Å; R57-G59 PolarHBondContact O-N 2.86Å |
| 58 | C | 81.2 | Confident | 73.9 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 3% | 0.027 | 37% | 0.369 | C | S | . | . | trans | -66.6 | 92.7 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | A39 E40 C61 N62 | A39-C58 WeakPolarHBondContact O-CB 3.31Å; E40-C58 PolarHBondContact O-N 2.94Å; C58-C61 HydrophobicContact CB-CB 3.64Å; C58-C61 WeakPolarHBondContact CB-SG 3.36Å; C58-C61 PolarHBondContact O-N 3.3Å; C58-C61 WeakPolarHBondContact SG-CB 3.47Å; C58-C61 PolarHBondContact SG-N 3.21Å; C58-C61 CovalentContact SG-SG 2.06Å; C58-C61 PolarHBondContact SG-SG 2.87Å; C58-N62 WeakPolarHBondContact O-CB 3.42Å; C58-N62 PolarHBondContact O-N 2.87Å | ||
| 59 | G | 82.5 | Confident | 75.4 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.7 | -50.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R57 C61 N62 Q63 | R57-G59 VanDerWaalsContact C-N 3.35Å; R57-G59 PolarHBondContact O-N 2.86Å; G59-C61 VanDerWaalsContact C-N 3.33Å; G59-C61 PolarHBondContact O-N 2.82Å; G59-N62 WeakPolarHBondContact O-CB 3.5Å; G59-N62 PolarHBondContact O-N 3.33Å; G59-N62 VanDerWaalsContact O-N 3.16Å; G59-Q63 PolarHBondContact O-N 2.82Å |
| 60 | P | 87.5 | Confident | 76.6 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 176 | -28.8 | 37.7 | 0 | 0 | 0 | 113.9 | Q63 M64 A118 | P60-Q63 PolarHBondContact O-N 3.22Å; P60-M64 WeakPolarHBondContact O-CG 3.1Å; P60-M64 PolarHBondContact O-N 3.03Å; P60-M64 VanDerWaalsContact O-N 3.17Å; P60-A118 HydrophobicContact CB-CB 3.9Å |
| 61 | C | 89.4 | Confident | 78 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 176.4 | -49.4 | 0 | 0 | 0 | 0 | 111.2 | C58 G59 Q63 M64 A65 | C58-C61 HydrophobicContact CB-CB 3.64Å; C58-C61 WeakPolarHBondContact CB-SG 3.36Å; C58-C61 PolarHBondContact O-N 3.3Å; C58-C61 WeakPolarHBondContact SG-CB 3.47Å; C58-C61 PolarHBondContact SG-N 3.21Å; C58-C61 CovalentContact SG-SG 2.06Å; C58-C61 PolarHBondContact SG-SG 2.87Å; G59-C61 VanDerWaalsContact C-N 3.33Å; G59-C61 PolarHBondContact O-N 2.82Å; C61-Q63 VanDerWaalsContact C-N 3.31Å; C61-Q63 PolarHBondContact O-N 3.39Å; C61-M64 PolarHBondContact O-N 3.08Å; C61-A65 PolarHBondContact O-N 3.18Å |
| 62 | N | 85.1 | Confident | 79.5 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 178 | -170.1 | 50.7 | 0 | 0 | 0 | 111.6 | C58 G59 M64 P66 D299 | C58-N62 WeakPolarHBondContact O-CB 3.42Å; C58-N62 PolarHBondContact O-N 2.87Å; G59-N62 WeakPolarHBondContact O-CB 3.5Å; G59-N62 PolarHBondContact O-N 3.33Å; G59-N62 VanDerWaalsContact O-N 3.16Å; N62-M64 VanDerWaalsContact C-N 3.34Å; N62-P66 WeakPolarHBondContact O-CD 3.07Å; N62-D299 PolarHBondContact ND2-OD2 3.13Å |
| 63 | Q | 83.8 | Confident | 80.9 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -34 | 176.8 | -175.1 | 179.7 | 45.8 | 0 | 0 | 112.9 | G59 P60 C61 R120 | G59-Q63 PolarHBondContact O-N 2.82Å; P60-Q63 PolarHBondContact O-N 3.22Å; C61-Q63 VanDerWaalsContact C-N 3.31Å; C61-Q63 PolarHBondContact O-N 3.39Å; Q63-R120 PolarHBondContact O-NH2 2.75Å |
| 64 | M | 90.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -86.3 | -26.1 | -178.5 | -68.2 | -60.2 | -67.6 | 0 | 0 | 113.7 | P60 C61 N62 F67 F68 P101 F103 A118 R120 L123 | P60-M64 WeakPolarHBondContact O-CG 3.1Å; P60-M64 PolarHBondContact O-N 3.03Å; P60-M64 VanDerWaalsContact O-N 3.17Å; C61-M64 PolarHBondContact O-N 3.08Å; N62-M64 VanDerWaalsContact C-N 3.34Å; M64-F67 HydrophobicContact CE-CD1 3.86Å; M64-F67 HydrophobicContact CE-CE1 4.41Å; M64-F67 PolarHBondContact O-N 3.05Å; M64-F68 WeakPolarHBondContact O-CB 3.49Å; M64-F68 PolarHBondContact O-N 2.88Å; M64-P101 HydrophobicContact CB-CG 4.33Å; M64-P101 HydrophobicContact CG-CG 3.86Å; M64-F103 HydrophobicContact CB-CZ 3.79Å; M64-F103 HydrophobicContact CE-CE2 3.72Å; M64-F103 HydrophobicContact CE-CZ 3.72Å; M64-F103 HydrophobicContact CG-CE2 4.32Å; M64-F103 HydrophobicContact CG-CZ 4.07Å; M64-A118 HydrophobicContact CG-CB 3.69Å; M64-A118 HydrophobicContact SD-CB 4.01Å; M64-R120 HydrophobicContact CE-CG 3.93Å; M64-R120 HydrophobicContact SD-CG 3.49Å; M64-R120 WeakPolarHBondContact SD-CG 3.32Å; M64-L123 HydrophobicContact CE-CB 4.39Å; M64-L123 HydrophobicContact CE-CD2 3.44Å; M64-L123 VanDerWaalsContact CE-CD2 3.44Å |
| 65 | A | 89 | Confident | 83.7 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.7 | -47.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C61 S69 | C61-A65 PolarHBondContact O-N 3.18Å; A65-S69 PolarHBondContact O-N 2.84Å; A65-S69 VanDerWaalsContact O-N 3.08Å; A65-S69 PolarHBondContact O-OG 2.84Å |
| 66 | P | 86.8 | Confident | 85 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 175.6 | 21.4 | -31.2 | 0 | 0 | 0 | 111.4 | N62 F68 S69 R70 E196 | N62-P66 WeakPolarHBondContact O-CD 3.07Å; P66-F68 PolarHBondContact O-N 2.85Å; P66-S69 WeakPolarHBondContact O-CA 3.29Å; P66-S69 VanDerWaalsContact O-CB 3.31Å; P66-S69 WeakPolarHBondContact O-CB 3.43Å; P66-S69 PolarHBondContact O-N 2.88Å; P66-R70 WeakPolarHBondContact O-CG 3.34Å; P66-R70 PolarHBondContact O-N 2.94Å; P66-E196 WeakPolarHBondContact CB-OE1 3.37Å |
| 67 | F | 87.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 178.1 | -177.1 | -107.6 | 0 | 0 | 0 | 112.9 | M64 S69 R70 M71 R120 L123 E124 | M64-F67 HydrophobicContact CE-CD1 3.86Å; M64-F67 HydrophobicContact CE-CE1 4.41Å; M64-F67 PolarHBondContact O-N 3.05Å; F67-S69 VanDerWaalsContact C-N 3.27Å; F67-S69 PolarHBondContact O-N 2.78Å; F67-R70 WeakPolarHBondContact O-CB 3.29Å; F67-R70 PolarHBondContact O-N 2.76Å; F67-R70 VanDerWaalsContact O-N 3.12Å; F67-M71 HydrophobicContact CD1-CG 4.28Å; F67-M71 HydrophobicContact CD2-CE 4.43Å; F67-M71 HydrophobicContact CE1-CG 4Å; F67-M71 HydrophobicContact CE1-SD 4.33Å; F67-M71 HydrophobicContact CE2-CE 3.86Å; F67-M71 HydrophobicContact CE2-SD 4.41Å; F67-M71 HydrophobicContact CZ-CE 4.06Å; F67-M71 HydrophobicContact CZ-CG 4.21Å; F67-M71 HydrophobicContact CZ-SD 4Å; F67-M71 WeakPolarHBondContact O-CG 3.42Å; F67-M71 PolarHBondContact O-N 3.04Å; F67-R120 HydrophobicContact CD1-CB 4.1Å; F67-R120 HydrophobicContact CD1-CG 3.83Å; F67-R120 HydrophobicContact CD2-CG 4.37Å; F67-R120 HydrophobicContact CE1-CB 3.74Å; F67-R120 HydrophobicContact CE1-CG 4.01Å; F67-R120 HydrophobicContact CE2-CB 4.25Å; F67-R120 HydrophobicContact CG-CB 4.49Å; F67-R120 HydrophobicContact CG-CG 4Å; F67-R120 HydrophobicContact CZ-CB 3.79Å; F67-R120 HydrophobicContact CZ-CG 4.34Å; F67-L123 HydrophobicContact CD1-CD2 3.98Å; F67-L123 HydrophobicContact CE1-CB 4.38Å; F67-L123 HydrophobicContact CE1-CD2 3.97Å; F67-L123 HydrophobicContact CE1-CG 4.31Å; F67-E124 HydrophobicContact CE1-CB 4.46Å; F67-E124 HydrophobicContact CZ-CB 3.93Å |
| 68 | F | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -36.3 | 176.2 | -170.6 | -109.5 | 0 | 0 | 0 | 111.8 | I12 V34 D36 M64 P66 M71 A72 F80 K82 F103 L123 | I12-F68 HydrophobicContact CD1-CD1 3.49Å; I12-F68 VanDerWaalsContact CD1-CD1 3.49Å; I12-F68 HydrophobicContact CD1-CE1 3.95Å; I12-F68 HydrophobicContact CD1-CG 4.47Å; I12-F68 HydrophobicContact CG1-CD1 4.1Å; I12-F68 HydrophobicContact CG1-CE1 4.06Å; I12-F68 HydrophobicContact CG2-CE1 4.02Å; V34-F68 HydrophobicContact CB-CE2 4.3Å; V34-F68 HydrophobicContact CG1-CE2 3.78Å; V34-F68 HydrophobicContact CG1-CZ 4.37Å; D36-F68 HydrophobicContact CB-CD1 3.89Å; D36-F68 HydrophobicContact CB-CD2 4.27Å; D36-F68 HydrophobicContact CB-CE1 3.61Å; D36-F68 HydrophobicContact CB-CE2 3.99Å; D36-F68 HydrophobicContact CB-CG 4.22Å; D36-F68 HydrophobicContact CB-CZ 3.64Å; M64-F68 WeakPolarHBondContact O-CB 3.49Å; M64-F68 PolarHBondContact O-N 2.88Å; P66-F68 PolarHBondContact O-N 2.85Å; F68-M71 PolarHBondContact O-N 3.14Å; F68-A72 WeakPolarHBondContact O-CB 3.26Å; F68-A72 PolarHBondContact O-N 3.17Å; F68-F80 HydrophobicContact CD2-CD1 4.15Å; F68-F80 HydrophobicContact CD2-CE1 4.45Å; F68-F80 HydrophobicContact CE1-CB 4.19Å; F68-F80 HydrophobicContact CE1-CD1 4.06Å; F68-F80 AromaticContact CE2-CD1 3.57Å; F68-F80 HydrophobicContact CE2-CD1 3.57Å; F68-F80 HydrophobicContact CE2-CE1 4.06Å; F68-F80 HydrophobicContact CZ-CB 4.12Å; F68-F80 AromaticContact CZ-CD1 3.53Å; F68-F80 HydrophobicContact CZ-CD1 3.53Å; F68-F80 HydrophobicContact CZ-CE1 4.44Å; F68-F80 HydrophobicContact CZ-CG 4.3Å; F68-K82 HydrophobicContact CD1-CD 4.23Å; F68-K82 HydrophobicContact CD1-CG 4.24Å; F68-K82 HydrophobicContact CE1-CD 4.35Å; F68-K82 HydrophobicContact CE1-CG 3.89Å; F68-F103 HydrophobicContact CB-CE1 4.47Å; F68-F103 AromaticContact CD2-CD1 3.84Å; F68-F103 HydrophobicContact CD2-CD1 3.84Å; F68-F103 AromaticContact CD2-CE1 3.66Å; F68-F103 HydrophobicContact CD2-CE1 3.66Å; F68-F103 AromaticContact CE2-CD1 3.84Å; F68-F103 HydrophobicContact CE2-CD1 3.84Å; F68-F103 HydrophobicContact CE2-CE1 4.09Å; F68-F103 HydrophobicContact CG-CE1 4.17Å; F68-L123 HydrophobicContact CD2-CD2 4.29Å |
| 69 | S | 89.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 34.1 Ų | 34.1 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | I12 A65 P66 F67 A72 R73 | I12-S69 WeakPolarHBondContact CD1-OG 3.3Å; A65-S69 PolarHBondContact O-N 2.84Å; A65-S69 VanDerWaalsContact O-N 3.08Å; A65-S69 PolarHBondContact O-OG 2.84Å; P66-S69 WeakPolarHBondContact O-CA 3.29Å; P66-S69 VanDerWaalsContact O-CB 3.31Å; P66-S69 WeakPolarHBondContact O-CB 3.43Å; P66-S69 PolarHBondContact O-N 2.88Å; F67-S69 VanDerWaalsContact C-N 3.27Å; F67-S69 PolarHBondContact O-N 2.78Å; S69-A72 PolarHBondContact O-N 3.21Å; S69-R73 WeakPolarHBondContact O-CG 3.28Å; S69-R73 PolarHBondContact O-N 3.28Å; S69-R73 VanDerWaalsContact O-N 3.15Å |
| 70 | R | 85.6 | Confident | 88.1 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -48.2 | 173.2 | -63.7 | -164.4 | -61.3 | -97.6 | 13.5 | 111.4 | P66 F67 A72 R73 R74 Y152 E196 D293 | P66-R70 WeakPolarHBondContact O-CG 3.34Å; P66-R70 PolarHBondContact O-N 2.94Å; F67-R70 WeakPolarHBondContact O-CB 3.29Å; F67-R70 PolarHBondContact O-N 2.76Å; F67-R70 VanDerWaalsContact O-N 3.12Å; R70-A72 VanDerWaalsContact C-N 3.27Å; R70-A72 PolarHBondContact O-N 2.86Å; R70-R73 PolarHBondContact O-N 3.35Å; R70-R73 VanDerWaalsContact O-N 3.13Å; R70-R74 WeakPolarHBondContact O-CB 3.22Å; R70-R74 PolarHBondContact O-N 3.26Å; R70-Y152 HydrophobicContact CB-CE1 3.84Å; R70-Y152 HydrophobicContact CG-CD1 4.36Å; R70-Y152 HydrophobicContact CG-CE1 3.93Å; R70-E196 IonicContact CZ-OE2 2.62Å; R70-E196 IonicContact NE-OE2 3.76Å; R70-E196 IonicContact NH1-OE1 2.99Å; R70-E196 IonicContact NH1-OE2 2.96Å; R70-E196 PolarHBondContact NH1-OE2 3.03Å; R70-D293 IonicContact CZ-OD1 2.86Å; R70-D293 IonicContact CZ-OD2 3.35Å; R70-D293 IonicContact NH1-OD1 3.18Å; R70-D293 PolarHBondContact NH1-OD1 3.33Å; R70-D293 IonicContact NH1-OD2 2.93Å; R70-D293 IonicContact NH2-OD1 2.72Å; R70-D293 IonicContact NH2-OD2 3.73Å; R70-D293 PolarHBondContact NH2-OD2 2.99Å |
| 71 | M | 88.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.7 | -41.2 | 175.1 | -63.5 | -61.1 | 97.1 | 0 | 0 | 111.8 | F67 F68 R73 R74 F75 F80 E124 I127 | F67-M71 HydrophobicContact CD1-CG 4.28Å; F67-M71 HydrophobicContact CD2-CE 4.43Å; F67-M71 HydrophobicContact CE1-CG 4Å; F67-M71 HydrophobicContact CE1-SD 4.33Å; F67-M71 HydrophobicContact CE2-CE 3.86Å; F67-M71 HydrophobicContact CE2-SD 4.41Å; F67-M71 HydrophobicContact CZ-CE 4.06Å; F67-M71 HydrophobicContact CZ-CG 4.21Å; F67-M71 HydrophobicContact CZ-SD 4Å; F67-M71 WeakPolarHBondContact O-CG 3.42Å; F67-M71 PolarHBondContact O-N 3.04Å; F68-M71 PolarHBondContact O-N 3.14Å; M71-R73 VanDerWaalsContact C-N 3.31Å; M71-R73 PolarHBondContact O-N 3.28Å; M71-R74 PolarHBondContact O-N 2.73Å; M71-F75 HydrophobicContact CB-CD2 4.32Å; M71-F75 VanDerWaalsContact O-CD2 3.31Å; M71-F75 WeakPolarHBondContact O-CD2 3.5Å; M71-F75 PolarHBondContact O-N 3.39Å; M71-F75 HydrophobicContact SD-CD2 4.29Å; M71-F75 HydrophobicContact SD-CE2 3.72Å; M71-F80 HydrophobicContact CB-CE1 3.79Å; M71-F80 HydrophobicContact CB-CZ 4.11Å; M71-F80 WeakPolarHBondContact O-CZ 3.39Å; M71-E124 HydrophobicContact SD-CB 4.04Å; M71-E124 HydrophobicContact SD-CG 3.9Å; M71-I127 HydrophobicContact CB-CD1 3.92Å; M71-I127 HydrophobicContact CG-CD1 3.96Å; M71-I127 HydrophobicContact SD-CD1 4.42Å |
| 72 | A | 90.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -34.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A11 I12 F68 S69 R70 F80 | A11-A72 HydrophobicContact CB-CB 3.7Å; I12-A72 HydrophobicContact CD1-CB 4.12Å; I12-A72 HydrophobicContact CG1-CB 3.47Å; I12-A72 VanDerWaalsContact CG1-CB 3.47Å; F68-A72 WeakPolarHBondContact O-CB 3.26Å; F68-A72 PolarHBondContact O-N 3.17Å; S69-A72 PolarHBondContact O-N 3.21Å; R70-A72 VanDerWaalsContact C-N 3.27Å; R70-A72 PolarHBondContact O-N 2.86Å; A72-F80 HydrophobicContact CB-CB 3.69Å; A72-F80 HydrophobicContact CB-CD1 3.71Å; A72-F80 HydrophobicContact CB-CD2 3.76Å; A72-F80 HydrophobicContact CB-CE1 4.29Å; A72-F80 HydrophobicContact CB-CE2 4.31Å; A72-F80 HydrophobicContact CB-CG 3.44Å; A72-F80 VanDerWaalsContact CB-CG 3.44Å |
| 73 | R | 83.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 30.2 Ų | 30.2 | 33% | 0.328 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -75.7 | -36.4 | 174.9 | -71.5 | 174.6 | -178.7 | 169.1 | 3 | 112.2 | A11 S69 R70 M71 T76 Y152 Q195 | A11-R73 HydrophobicContact CB-CG 3.91Å; S69-R73 WeakPolarHBondContact O-CG 3.28Å; S69-R73 PolarHBondContact O-N 3.28Å; S69-R73 VanDerWaalsContact O-N 3.15Å; R70-R73 PolarHBondContact O-N 3.35Å; R70-R73 VanDerWaalsContact O-N 3.13Å; M71-R73 VanDerWaalsContact C-N 3.31Å; M71-R73 PolarHBondContact O-N 3.28Å; R73-T76 VanDerWaalsContact O-CG2 3.26Å; R73-T76 WeakPolarHBondContact O-CG2 3.43Å; R73-Y152 HydrophobicContact CB-CD1 4.38Å; R73-Y152 HydrophobicContact CB-CE1 4.17Å; R73-Y152 PolarHBondContact NH1-O 3.37Å; R73-Q195 VanDerWaalsContact CZ-OE1 3.28Å |
| 74 | R | 82.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 27 Ų | 27 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -73.6 | -41.6 | -179.9 | -177.3 | 172.9 | 164.6 | -159.8 | -10.3 | 112.8 | R70 M71 T76 E124 M151 | R70-R74 WeakPolarHBondContact O-CB 3.22Å; R70-R74 PolarHBondContact O-N 3.26Å; M71-R74 PolarHBondContact O-N 2.73Å; R74-T76 PolarHBondContact O-N 3.38Å; R74-E124 IonicContact CZ-OE1 3.74Å; R74-E124 IonicContact NH1-OE1 3.7Å; R74-E124 PolarHBondContact NH1-OE1 2.88Å; R74-E124 IonicContact NH2-OE1 2.88Å; R74-M151 HydrophobicContact CB-SD 4.42Å |
| 75 | F | 86 | Confident | 90 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | trans | -102.1 | 64 | -176.6 | -62.5 | -77.6 | 0 | 0 | 0 | 111.5 | M71 H77 A78 F80 I127 V128 V131 F134 | M71-F75 HydrophobicContact CB-CD2 4.32Å; M71-F75 VanDerWaalsContact O-CD2 3.31Å; M71-F75 WeakPolarHBondContact O-CD2 3.5Å; M71-F75 PolarHBondContact O-N 3.39Å; M71-F75 HydrophobicContact SD-CD2 4.29Å; M71-F75 HydrophobicContact SD-CE2 3.72Å; F75-H77 PolarHBondContact O-N 3.05Å; F75-H77 VanDerWaalsContact O-N 3.12Å; F75-A78 HydrophobicContact CB-CB 4.36Å; F75-A78 PolarHBondContact O-N 2.79Å; F75-F80 HydrophobicContact CB-CE2 3.91Å; F75-F80 HydrophobicContact CB-CZ 3.98Å; F75-F80 HydrophobicContact CD2-CZ 4.45Å; F75-I127 HydrophobicContact CB-CG2 4.27Å; F75-I127 HydrophobicContact CD1-CG2 4.01Å; F75-I127 HydrophobicContact CD2-CG2 3.47Å; F75-I127 VanDerWaalsContact CD2-CG2 3.47Å; F75-I127 HydrophobicContact CE1-CG2 4.21Å; F75-I127 HydrophobicContact CE2-CB 4.49Å; F75-I127 HydrophobicContact CE2-CG2 3.7Å; F75-I127 HydrophobicContact CG-CG2 3.64Å; F75-I127 HydrophobicContact CZ-CG2 4.07Å; F75-V128 HydrophobicContact CE1-CG2 4.05Å; F75-V128 HydrophobicContact CZ-CG2 3.62Å; F75-V131 HydrophobicContact CD1-CG2 4.07Å; F75-F134 AromaticContact CD1-CD2 3.83Å; F75-F134 HydrophobicContact CD1-CD2 3.83Å; F75-F134 AromaticContact CD1-CE2 3.75Å; F75-F134 HydrophobicContact CD1-CE2 3.75Å; F75-F134 AromaticContact CE1-CD2 3.88Å; F75-F134 HydrophobicContact CE1-CD2 3.88Å; F75-F134 AromaticContact CE1-CE2 3.69Å; F75-F134 HydrophobicContact CE1-CE2 3.69Å; F75-F134 HydrophobicContact CE1-CZ 4.27Å | ||
| 76 | T | 85.2 | Confident | 90 | Very high | 96 Ų | 96 | 28.7 Ų | 28.7 | 59% | 0.589 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.8 | -176.3 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | R73 R74 A78 | R73-T76 VanDerWaalsContact O-CG2 3.26Å; R73-T76 WeakPolarHBondContact O-CG2 3.43Å; R74-T76 PolarHBondContact O-N 3.38Å; T76-A78 VanDerWaalsContact C-N 3.31Å |
| 77 | H | 85.4 | Confident | 90.2 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 40% | 0.403 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -16.6 | 174.2 | -64.9 | -76.7 | 0 | 0 | 0 | 113.6 | F75 | F75-H77 PolarHBondContact O-N 3.05Å; F75-H77 VanDerWaalsContact O-N 3.12Å |
| 78 | A | 91.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -97.7 | 158 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L32 F75 T76 F80 V131 | L32-A78 HydrophobicContact CB-CB 4.05Å; L32-A78 HydrophobicContact CD2-CB 4.33Å; L32-A78 HydrophobicContact CG-CB 4.34Å; L32-A78 CarbonylContact O-C 3.54Å; L32-A78 WeakPolarHBondContact O-CA 3.5Å; F75-A78 HydrophobicContact CB-CB 4.36Å; F75-A78 PolarHBondContact O-N 2.79Å; T76-A78 VanDerWaalsContact C-N 3.31Å; A78-F80 HydrophobicContact CB-CD2 4.39Å; A78-F80 HydrophobicContact CB-CE2 3.74Å; A78-F80 HydrophobicContact CB-CZ 4.46Å; A78-V131 HydrophobicContact CB-CG2 4.43Å |
| 79 | V | 94 | Very high | 90.4 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.1 | 177.9 | 179 | 0 | 0 | 0 | 0 | 108.7 | A28 K31 L32 V33 V34 L81 | A28-V79 HydrophobicContact CB-CG2 4.17Å; K31-V79 HydrophobicContact CB-CG2 4.47Å; K31-V79 HydrophobicContact CD-CG2 4.34Å; L32-V79 PolarHBondContact O-N 2.85Å; V33-V79 CarbonylContact C-O 3.6Å; V33-V79 VanDerWaalsContact CA-O 3.28Å; V33-V79 WeakPolarHBondContact CA-O 3.41Å; V33-V79 HydrophobicContact CG1-CB 4.28Å; V33-V79 HydrophobicContact CG1-CG1 4.27Å; V33-V79 HydrophobicContact CG2-CB 4.2Å; V34-V79 PolarHBondContact N-O 2.78Å; V79-L81 HydrophobicContact CG1-CD2 3.86Å; V79-L81 HydrophobicContact CG1-CG 4.21Å |
| 80 | F | 96.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.4 | 179 | -70.3 | -107.6 | 0 | 0 | 0 | 110.6 | I12 K13 V34 F68 M71 A72 F75 A78 I127 | I12-F80 WeakPolarHBondContact CA-O 3.34Å; I12-F80 HydrophobicContact CG1-CB 3.96Å; K13-F80 PolarHBondContact N-O 2.74Å; V34-F80 HydrophobicContact CB-CD1 4.14Å; V34-F80 HydrophobicContact CB-CE1 4.16Å; V34-F80 HydrophobicContact CG2-CE1 4.21Å; V34-F80 HydrophobicContact CG2-CZ 4.33Å; V34-F80 WeakPolarHBondContact O-CA 3.34Å; F68-F80 HydrophobicContact CD2-CD1 4.15Å; F68-F80 HydrophobicContact CD2-CE1 4.45Å; F68-F80 HydrophobicContact CE1-CB 4.19Å; F68-F80 HydrophobicContact CE1-CD1 4.06Å; F68-F80 AromaticContact CE2-CD1 3.57Å; F68-F80 HydrophobicContact CE2-CD1 3.57Å; F68-F80 HydrophobicContact CE2-CE1 4.06Å; F68-F80 HydrophobicContact CZ-CB 4.12Å; F68-F80 AromaticContact CZ-CD1 3.53Å; F68-F80 HydrophobicContact CZ-CD1 3.53Å; F68-F80 HydrophobicContact CZ-CE1 4.44Å; F68-F80 HydrophobicContact CZ-CG 4.3Å; M71-F80 HydrophobicContact CB-CE1 3.79Å; M71-F80 HydrophobicContact CB-CZ 4.11Å; M71-F80 WeakPolarHBondContact O-CZ 3.39Å; A72-F80 HydrophobicContact CB-CB 3.69Å; A72-F80 HydrophobicContact CB-CD1 3.71Å; A72-F80 HydrophobicContact CB-CD2 3.76Å; A72-F80 HydrophobicContact CB-CE1 4.29Å; A72-F80 HydrophobicContact CB-CE2 4.31Å; A72-F80 HydrophobicContact CB-CG 3.44Å; A72-F80 VanDerWaalsContact CB-CG 3.44Å; F75-F80 HydrophobicContact CB-CE2 3.91Å; F75-F80 HydrophobicContact CB-CZ 3.98Å; F75-F80 HydrophobicContact CD2-CZ 4.45Å; A78-F80 HydrophobicContact CB-CD2 4.39Å; A78-F80 HydrophobicContact CB-CE2 3.74Å; A78-F80 HydrophobicContact CB-CZ 4.46Å; F80-I127 HydrophobicContact CE1-CD1 3.96Å; F80-I127 HydrophobicContact CZ-CD1 4.23Å; F80-I127 HydrophobicContact CZ-CG2 4.42Å |
| 81 | L | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.1 | -178.8 | -54.6 | -179.2 | 0 | 0 | 0 | 110.7 | K13 I15 E24 V33 V34 V35 D36 V79 | K13-L81 HydrophobicContact CB-CD2 3.8Å; K13-L81 HydrophobicContact CD-CD2 4.45Å; K13-L81 HydrophobicContact CG-CD2 4.46Å; K13-L81 CarbonylContact O-C 3.54Å; K13-L81 VanDerWaalsContact O-CA 3.28Å; K13-L81 WeakPolarHBondContact O-CA 3.45Å; I15-L81 HydrophobicContact CD1-CB 4.48Å; I15-L81 HydrophobicContact CD1-CD1 4.11Å; I15-L81 HydrophobicContact CD1-CD2 4.12Å; I15-L81 HydrophobicContact CD1-CG 4.47Å; I15-L81 HydrophobicContact CG1-CB 4.19Å; I15-L81 HydrophobicContact CG1-CD1 4.43Å; E24-L81 HydrophobicContact CB-CD1 3.81Å; E24-L81 HydrophobicContact CB-CD2 4.33Å; E24-L81 HydrophobicContact CG-CD1 4.41Å; E24-L81 HydrophobicContact CG-CD2 4.27Å; V33-L81 HydrophobicContact CG1-CD1 3.51Å; V33-L81 HydrophobicContact CG1-CG 3.81Å; V34-L81 PolarHBondContact O-N 2.81Å; V35-L81 WeakPolarHBondContact CA-O 3.49Å; V35-L81 HydrophobicContact CG1-CB 4.31Å; V35-L81 HydrophobicContact CG2-CB 4.16Å; V35-L81 HydrophobicContact CG2-CD1 4.14Å; D36-L81 PolarHBondContact N-O 2.89Å; V79-L81 HydrophobicContact CG1-CD2 3.86Å; V79-L81 HydrophobicContact CG1-CG 4.21Å |
| 82 | K | 96.5 | Very high | 91.2 | Very high | 33 Ų | 33 | 37 Ų | 37 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.5 | 171.3 | -85.3 | -176.7 | 77 | 158.7 | 0 | 111.6 | I12 K13 I15 D36 Y38 F68 | I12-K82 HydrophobicContact CD1-CD 4.45Å; I12-K82 HydrophobicContact CG2-CB 3.97Å; I12-K82 HydrophobicContact CG2-CD 3.73Å; I12-K82 HydrophobicContact CG2-CG 3.55Å; K13-K82 PolarHBondContact O-N 2.81Å; I15-K82 WeakPolarHBondContact CB-O 3.5Å; I15-K82 PolarHBondContact N-O 3.33Å; D36-K82 HydrophobicContact CB-CG 3.84Å; D36-K82 WeakPolarHBondContact O-CA 3.41Å; D36-K82 WeakPolarHBondContact OD2-CE 3.48Å; D36-K82 IonicContact OD2-NZ 3.53Å; Y38-K82 HydrophobicContact CD1-CB 4.2Å; Y38-K82 VanDerWaalsContact CD1-CE 3.42Å; Y38-K82 HydrophobicContact CD1-CG 4.39Å; Y38-K82 HydrophobicContact CE1-CB 3.84Å; Y38-K82 HydrophobicContact CE1-CD 4.47Å; Y38-K82 VanDerWaalsContact CE1-CE 3.43Å; Y38-K82 HydrophobicContact CE1-CG 4.39Å; F68-K82 HydrophobicContact CD1-CD 4.23Å; F68-K82 HydrophobicContact CD1-CG 4.24Å; F68-K82 HydrophobicContact CE1-CD 4.35Å; F68-K82 HydrophobicContact CE1-CG 3.89Å |
| 83 | V | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.6 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | I15 F21 V35 D36 F37 Y38 V85 L88 V91 | I15-V83 HydrophobicContact CB-CG2 3.88Å; I15-V83 HydrophobicContact CG1-CG2 3.96Å; I15-V83 HydrophobicContact CG2-CG2 4.26Å; F21-V83 HydrophobicContact CD2-CG2 4.2Å; F21-V83 HydrophobicContact CE2-CG2 4.28Å; V35-V83 HydrophobicContact CG1-CB 4.42Å; V35-V83 HydrophobicContact CG1-CG2 3.61Å; D36-V83 PolarHBondContact O-N 2.8Å; F37-V83 WeakPolarHBondContact CA-O 3.31Å; F37-V83 HydrophobicContact CD1-CB 3.7Å; F37-V83 HydrophobicContact CD1-CG1 3.81Å; F37-V83 HydrophobicContact CD1-CG2 4.32Å; F37-V83 HydrophobicContact CE1-CB 3.81Å; F37-V83 HydrophobicContact CE1-CG1 3.82Å; F37-V83 HydrophobicContact CE1-CG2 3.96Å; F37-V83 HydrophobicContact CZ-CG2 4.48Å; Y38-V83 WeakPolarHBondContact CD1-O 3.32Å; Y38-V83 PolarHBondContact N-O 2.92Å; V83-V85 PolarHBondContact O-N 3.36Å; V83-L88 HydrophobicContact CG1-CB 4.11Å; V83-L88 HydrophobicContact CG1-CD1 4.18Å; V83-V91 HydrophobicContact CG1-CB 4.26Å; V83-V91 HydrophobicContact CG1-CG1 4.15Å |
| 84 | N | 93.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 109.9 | 170.3 | -173.3 | -31.1 | 0 | 0 | 0 | 109.1 | Y38 S86 N87 L88 | Y38-N84 HydrophobicContact CE1-CB 3.89Å; Y38-N84 HydrophobicContact CE2-CB 4.41Å; Y38-N84 CarbonylContact O-C 3.39Å; Y38-N84 WeakPolarHBondContact O-CA 3.43Å; N84-S86 PolarHBondContact O-N 2.81Å; N84-S86 VanDerWaalsContact OD1-CB 3.23Å; N84-S86 WeakPolarHBondContact OD1-CB 3.22Å; N84-S86 PolarHBondContact OD1-N 2.87Å; N84-S86 PolarHBondContact OD1-OG 2.84Å; N84-N87 HydrophobicContact CB-CB 4.24Å; N84-N87 PolarHBondContact O-N 3.06Å; N84-N87 VanDerWaalsContact O-N 3.09Å; N84-L88 PolarHBondContact O-N 2.87Å |
| 85 | V | 92.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.1 | -176.1 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | F37 Y38 A39 Y46 V83 P89 A92 L100 | F37-V85 HydrophobicContact CB-CG1 3.96Å; F37-V85 HydrophobicContact CD1-CG1 4.09Å; Y38-V85 PolarHBondContact O-N 3Å; A39-V85 HydrophobicContact CB-CG2 3.98Å; Y46-V85 HydrophobicContact CD2-CG2 3.83Å; Y46-V85 HydrophobicContact CE2-CB 3.95Å; Y46-V85 HydrophobicContact CE2-CG2 3.5Å; V83-V85 PolarHBondContact O-N 3.36Å; V85-P89 WeakPolarHBondContact O-CA 3.29Å; V85-A92 HydrophobicContact CB-CB 3.83Å; V85-A92 HydrophobicContact CG1-CB 3.7Å; V85-L100 HydrophobicContact CG1-CD2 3.92Å; V85-L100 HydrophobicContact CG2-CD1 3.78Å; V85-L100 HydrophobicContact CG2-CD2 3.98Å; V85-L100 HydrophobicContact CG2-CG 4.47Å |
| 86 | S | 88.6 | Confident | 92.6 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -35.7 | 174.9 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | V43 N84 | V43-S86 WeakPolarHBondContact CG2-OG 3.43Å; N84-S86 PolarHBondContact O-N 2.81Å; N84-S86 VanDerWaalsContact OD1-CB 3.23Å; N84-S86 WeakPolarHBondContact OD1-CB 3.22Å; N84-S86 PolarHBondContact OD1-N 2.87Å; N84-S86 PolarHBondContact OD1-OG 2.84Å |
| 87 | N | 91.2 | Very high | 93 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 61% | 0.61 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -29.5 | 179.5 | -63.7 | -10.6 | 0 | 0 | 0 | 111.8 | N84 P89 | N84-N87 HydrophobicContact CB-CB 4.24Å; N84-N87 PolarHBondContact O-N 3.06Å; N84-N87 VanDerWaalsContact O-N 3.09Å; N87-P89 VanDerWaalsContact C-CD 3.41Å; N87-P89 WeakPolarHBondContact O-CD 3.48Å |
| 88 | L | 92.7 | Very high | 93 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | trans | -127.6 | 60.1 | -175.7 | -65.9 | 176.3 | 0 | 0 | 0 | 112.5 | I15 V83 N84 A90 V91 A92 | I15-L88 HydrophobicContact CB-CD1 4.36Å; I15-L88 HydrophobicContact CG2-CD1 3.79Å; I15-L88 WeakPolarHBondContact O-CD1 3.17Å; V83-L88 HydrophobicContact CG1-CB 4.11Å; V83-L88 HydrophobicContact CG1-CD1 4.18Å; N84-L88 PolarHBondContact O-N 2.87Å; L88-A90 PolarHBondContact O-N 2.97Å; L88-V91 HydrophobicContact CB-CB 4.19Å; L88-V91 HydrophobicContact CB-CG2 3.98Å; L88-V91 HydrophobicContact CD1-CG2 4.33Å; L88-V91 PolarHBondContact O-N 3.13Å; L88-A92 PolarHBondContact O-N 3.28Å | ||
| 89 | P | 91.2 | Very high | 92.8 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.9 | -34.8 | -179.2 | 24.7 | -34.3 | 0 | 0 | 0 | 112.2 | V85 N87 V91 A92 E93 | V85-P89 WeakPolarHBondContact O-CA 3.29Å; N87-P89 VanDerWaalsContact C-CD 3.41Å; N87-P89 WeakPolarHBondContact O-CD 3.48Å; P89-V91 VanDerWaalsContact C-N 3.31Å; P89-V91 PolarHBondContact O-N 3Å; P89-A92 PolarHBondContact O-N 3.09Å; P89-E93 WeakPolarHBondContact O-CB 3.48Å; P89-E93 PolarHBondContact O-N 2.81Å |
| 90 | A | 93 | Very high | 92.7 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -33.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M18 L88 A94 | M18-A90 HydrophobicContact CE-CB 4.34Å; M18-A90 WeakPolarHBondContact CE-O 3.47Å; L88-A90 PolarHBondContact O-N 2.97Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.35Å; A90-A94 VanDerWaalsContact O-N 3.11Å |
| 91 | V | 94.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.6 | -44.8 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | M18 F21 F37 V83 L88 P89 E93 A94 E95 | M18-V91 HydrophobicContact CB-CG2 4.19Å; M18-V91 HydrophobicContact CE-CB 4.25Å; M18-V91 HydrophobicContact CE-CG2 3.78Å; M18-V91 HydrophobicContact SD-CG2 4.06Å; F21-V91 HydrophobicContact CB-CG1 4.48Å; F21-V91 HydrophobicContact CD1-CG1 3.73Å; F21-V91 HydrophobicContact CD2-CG1 4.19Å; F21-V91 HydrophobicContact CE1-CG1 3.93Å; F21-V91 HydrophobicContact CE2-CG1 4.37Å; F21-V91 HydrophobicContact CG-CG1 3.87Å; F21-V91 HydrophobicContact CZ-CG1 4.25Å; F37-V91 HydrophobicContact CE1-CG1 4.05Å; V83-V91 HydrophobicContact CG1-CB 4.26Å; V83-V91 HydrophobicContact CG1-CG1 4.15Å; L88-V91 HydrophobicContact CB-CB 4.19Å; L88-V91 HydrophobicContact CB-CG2 3.98Å; L88-V91 HydrophobicContact CD1-CG2 4.33Å; L88-V91 PolarHBondContact O-N 3.13Å; P89-V91 VanDerWaalsContact C-N 3.31Å; P89-V91 PolarHBondContact O-N 3Å; V91-E93 VanDerWaalsContact C-N 3.33Å; V91-E93 PolarHBondContact O-N 3.39Å; V91-A94 PolarHBondContact O-N 3.5Å; V91-E95 HydrophobicContact CG1-CG 4.39Å; V91-E95 WeakPolarHBondContact O-CB 3.37Å; V91-E95 VanDerWaalsContact O-CG 3.28Å; V91-E95 WeakPolarHBondContact O-CG 3.22Å; V91-E95 PolarHBondContact O-N 3.2Å |
| 92 | A | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y46 V85 L88 P89 E95 N96 V97 | Y46-A92 WeakPolarHBondContact OH-CB 3.26Å; V85-A92 HydrophobicContact CB-CB 3.83Å; V85-A92 HydrophobicContact CG1-CB 3.7Å; L88-A92 PolarHBondContact O-N 3.28Å; P89-A92 PolarHBondContact O-N 3.09Å; A92-E95 CarbonylContact O-C 3.58Å; A92-E95 PolarHBondContact O-N 2.83Å; A92-N96 PolarHBondContact O-N 2.79Å; A92-N96 VanDerWaalsContact O-N 3.16Å; A92-V97 HydrophobicContact CB-CB 4.2Å; A92-V97 HydrophobicContact CB-CG2 4.4Å; A92-V97 PolarHBondContact O-N 3.28Å |
| 93 | E | 92.8 | Very high | 92.5 | Very high | 150 Ų | 150 | 39.2 Ų | 39.2 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.3 | -49.1 | 176.3 | -175.8 | 175.5 | -164.5 | 0 | 0 | 111.6 | P89 V91 E95 N96 | P89-E93 WeakPolarHBondContact O-CB 3.48Å; P89-E93 PolarHBondContact O-N 2.81Å; V91-E93 VanDerWaalsContact C-N 3.33Å; V91-E93 PolarHBondContact O-N 3.39Å; E93-E95 PolarHBondContact O-N 2.88Å; E93-N96 PolarHBondContact O-N 2.75Å |
| 94 | A | 93.7 | Very high | 92.6 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58 | -33.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M18 A90 V91 N96 | M18-A94 HydrophobicContact CE-CB 4.08Å; A90-A94 VanDerWaalsContact O-CB 3.29Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.35Å; A90-A94 VanDerWaalsContact O-N 3.11Å; V91-A94 PolarHBondContact O-N 3.5Å; A94-N96 VanDerWaalsContact C-N 3.34Å |
| 95 | E | 94.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 39 Ų | 39 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.5 | 179.3 | -63.1 | -56.3 | 149 | 0 | 0 | 114.3 | F21 F37 V91 A92 E93 V97 Y106 K111 | F21-E95 HydrophobicContact CE1-CG 4.01Å; F21-E95 WeakPolarHBondContact CE1-OE1 3.26Å; F21-E95 HydrophobicContact CZ-CG 4.13Å; F37-E95 HydrophobicContact CE1-CB 4.31Å; F37-E95 HydrophobicContact CE1-CG 4.36Å; F37-E95 HydrophobicContact CE2-CB 4.47Å; F37-E95 HydrophobicContact CZ-CB 3.87Å; F37-E95 HydrophobicContact CZ-CG 3.82Å; V91-E95 HydrophobicContact CG1-CG 4.39Å; V91-E95 WeakPolarHBondContact O-CB 3.37Å; V91-E95 VanDerWaalsContact O-CG 3.28Å; V91-E95 WeakPolarHBondContact O-CG 3.22Å; V91-E95 PolarHBondContact O-N 3.2Å; A92-E95 CarbonylContact O-C 3.58Å; A92-E95 PolarHBondContact O-N 2.83Å; E93-E95 PolarHBondContact O-N 2.88Å; E95-V97 VanDerWaalsContact C-N 3.27Å; E95-V97 HydrophobicContact CB-CG2 4.22Å; E95-V97 PolarHBondContact O-N 2.91Å; E95-Y106 VanDerWaalsContact CD-OH 3.28Å; E95-Y106 PolarHBondContact OE2-OH 3.29Å; E95-K111 PolarHBondContact O-NZ 2.91Å; E95-K111 WeakPolarHBondContact OE2-CE 3.45Å; E95-K111 IonicContact OE2-NZ 2.74Å; E95-K111 PolarHBondContact OE2-NZ 3.42Å |
| 96 | N | 92.2 | Very high | 93 | Very high | 136 Ų | 136 | 39 Ų | 39 | 73% | 0.727 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 35.8 | -179.8 | -63.6 | -75.3 | 0 | 0 | 0 | 114.1 | A92 E93 A94 S98 | A92-N96 PolarHBondContact O-N 2.79Å; A92-N96 VanDerWaalsContact O-N 3.16Å; E93-N96 PolarHBondContact O-N 2.75Å; A94-N96 VanDerWaalsContact C-N 3.34Å; N96-S98 PolarHBondContact O-N 3.43Å |
| 97 | V | 92.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | trans | -69.5 | 121.7 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | F37 Y46 A92 E95 L100 | F37-V97 HydrophobicContact CB-CG1 4.19Å; F37-V97 HydrophobicContact CB-CG2 4.11Å; F37-V97 HydrophobicContact CD1-CG2 3.75Å; F37-V97 HydrophobicContact CD2-CG2 3.9Å; F37-V97 HydrophobicContact CE1-CG2 4.12Å; F37-V97 HydrophobicContact CE2-CG2 4.26Å; F37-V97 HydrophobicContact CG-CG2 3.63Å; F37-V97 HydrophobicContact CZ-CG2 4.38Å; Y46-V97 WeakPolarHBondContact CE1-O 3.32Å; A92-V97 HydrophobicContact CB-CB 4.2Å; A92-V97 HydrophobicContact CB-CG2 4.4Å; A92-V97 PolarHBondContact O-N 3.28Å; E95-V97 VanDerWaalsContact C-N 3.27Å; E95-V97 HydrophobicContact CB-CG2 4.22Å; E95-V97 PolarHBondContact O-N 2.91Å; V97-L100 HydrophobicContact CG1-CD2 4.03Å | ||
| 98 | S | 86.3 | Confident | 93.4 | Very high | 64 Ų | 64 | 39 Ų | 39 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | trans | -122.1 | 0.2 | -177.7 | 59 | 0 | 0 | 0 | 0 | 113.8 | N96 R116 | N96-S98 PolarHBondContact O-N 3.43Å; S98-R116 VanDerWaalsContact C-NH2 3.33Å; S98-R116 PolarHBondContact O-NH2 3.45Å; S98-R116 VanDerWaalsContact OG-CZ 3.27Å; S98-R116 PolarHBondContact OG-NH1 2.81Å; S98-R116 PolarHBondContact OG-NH2 3.31Å | ||
| 99 | G | 87.8 | Confident | 93.4 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -164.8 | 164.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T102 | G99-T102 PolarHBondContact O-OG1 3.1Š|
| 100 | L | 90.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -128.3 | 150.8 | -174.7 | -59.1 | 173.6 | 0 | 0 | 0 | 111.9 | F37 A39 Y46 V85 V97 | F37-L100 HydrophobicContact CB-CD2 4.43Å; F37-L100 VanDerWaalsContact O-CD2 3.29Å; F37-L100 WeakPolarHBondContact O-CD2 3.45Å; A39-L100 HydrophobicContact CB-CD1 3.49Å; A39-L100 VanDerWaalsContact CB-CD1 3.49Å; Y46-L100 HydrophobicContact CD2-CD1 4.16Å; Y46-L100 HydrophobicContact CG-CD1 4.44Å; Y46-L100 HydrophobicContact CG-CG 4.41Å; V85-L100 HydrophobicContact CG1-CD2 3.92Å; V85-L100 HydrophobicContact CG2-CD1 3.78Å; V85-L100 HydrophobicContact CG2-CD2 3.98Å; V85-L100 HydrophobicContact CG2-CG 4.47Å; V97-L100 HydrophobicContact CG1-CD2 4.03Å |
| 101 | P | 93.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | cis | -64.5 | 156.6 | -16.8 | 29.5 | -34.4 | 0 | 0 | 0 | 110.7 | F37 M64 F103 G117 A118 | F37-P101 WeakPolarHBondContact O-CA 3.38Å; M64-P101 HydrophobicContact CB-CG 4.33Å; M64-P101 HydrophobicContact CG-CG 3.86Å; P101-F103 HydrophobicContact CB-CE2 3.87Å; P101-F103 HydrophobicContact CB-CZ 3.88Å; P101-F103 HydrophobicContact CG-CE2 3.89Å; P101-F103 HydrophobicContact CG-CZ 4.14Å; P101-G117 WeakPolarHBondContact O-CA 3.18Å; P101-G117 PolarHBondContact O-N 2.95Å; P101-A118 HydrophobicContact CG-CB 4.45Å |
| 102 | T | 95.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.1 | 167.3 | -70.8 | 0 | 0 | 0 | 0 | 108.1 | F37 G99 V115 | F37-T102 WeakPolarHBondContact CB-O 3.45Å; F37-T102 HydrophobicContact CD2-CG2 4.5Å; F37-T102 WeakPolarHBondContact CD2-O 3.3Å; F37-T102 PolarHBondContact N-O 2.95Å; F37-T102 PolarHBondContact O-N 2.81Å; F37-T102 VanDerWaalsContact O-N 3.09Å; G99-T102 PolarHBondContact O-OG1 3.1Å; T102-V115 CarbonylContact C-O 3.59Å; T102-V115 WeakPolarHBondContact CA-O 3.17Å |
| 103 | F | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.8 | 174.8 | -55.3 | -85.6 | 0 | 0 | 0 | 108.5 | V35 D36 M64 F68 P101 F105 Y114 V115 L123 | V35-F103 CarbonylContact O-C 3.53Å; V35-F103 VanDerWaalsContact O-CA 3.24Å; V35-F103 WeakPolarHBondContact O-CA 3.49Å; D36-F103 HydrophobicContact CB-CD1 3.84Å; D36-F103 HydrophobicContact CB-CE1 3.66Å; M64-F103 HydrophobicContact CB-CZ 3.79Å; M64-F103 HydrophobicContact CE-CE2 3.72Å; M64-F103 HydrophobicContact CE-CZ 3.72Å; M64-F103 HydrophobicContact CG-CE2 4.32Å; M64-F103 HydrophobicContact CG-CZ 4.07Å; F68-F103 HydrophobicContact CB-CE1 4.47Å; F68-F103 AromaticContact CD2-CD1 3.84Å; F68-F103 HydrophobicContact CD2-CD1 3.84Å; F68-F103 AromaticContact CD2-CE1 3.66Å; F68-F103 HydrophobicContact CD2-CE1 3.66Å; F68-F103 AromaticContact CE2-CD1 3.84Å; F68-F103 HydrophobicContact CE2-CD1 3.84Å; F68-F103 HydrophobicContact CE2-CE1 4.09Å; F68-F103 HydrophobicContact CG-CE1 4.17Å; P101-F103 HydrophobicContact CB-CE2 3.87Å; P101-F103 HydrophobicContact CB-CZ 3.88Å; P101-F103 HydrophobicContact CG-CE2 3.89Å; P101-F103 HydrophobicContact CG-CZ 4.14Å; F103-F105 HydrophobicContact CB-CE2 4.27Å; F103-Y114 CarbonylContact O-C 3.52Å; F103-Y114 WeakPolarHBondContact O-CA 3.24Å; F103-Y114 WeakPolarHBondContact O-CB 3.11Å; F103-V115 HydrophobicContact CB-CB 4.29Å; F103-V115 HydrophobicContact CD2-CB 4.24Å; F103-V115 HydrophobicContact CD2-CG1 4.41Å; F103-V115 PolarHBondContact N-O 3.31Å; F103-V115 PolarHBondContact O-N 3.33Å; F103-L123 HydrophobicContact CB-CD1 3.77Å; F103-L123 HydrophobicContact CD1-CD1 3.93Å; F103-L123 HydrophobicContact CD1-CD2 3.89Å; F103-L123 HydrophobicContact CD2-CD1 4.18Å; F103-L123 HydrophobicContact CD2-CD2 4.12Å; F103-L123 HydrophobicContact CE1-CD2 3.8Å; F103-L123 HydrophobicContact CE2-CD2 4.04Å; F103-L123 HydrophobicContact CG-CD1 3.67Å; F103-L123 HydrophobicContact CG-CD2 4.06Å; F103-L123 HydrophobicContact CG-CG 4.45Å; F103-L123 HydrophobicContact CZ-CD2 3.9Å |
| 104 | A | 97.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V34 V35 F37 Y106 | V34-A104 WeakPolarHBondContact CA-O 3.38Å; V35-A104 PolarHBondContact N-O 3.16Å; V35-A104 PolarHBondContact O-N 2.86Å; F37-A104 HydrophobicContact CD2-CB 4.47Å; F37-A104 HydrophobicContact CE2-CB 3.86Å; A104-Y106 HydrophobicContact CB-CD2 4.49Å; A104-Y106 HydrophobicContact CB-CE2 3.51Å; A104-Y106 WeakPolarHBondContact CB-OH 3.47Å |
| 105 | F | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | -174.6 | -62.1 | -108 | 0 | 0 | 0 | 108.6 | L32 V33 V34 F103 K111 V112 D113 V115 L123 K126 I127 Y130 | L32-F105 HydrophobicContact CD1-CB 4.14Å; L32-F105 HydrophobicContact CD1-CD1 4.06Å; L32-F105 HydrophobicContact CD2-CD1 4.38Å; V33-F105 CarbonylContact O-C 3.55Å; V33-F105 WeakPolarHBondContact O-CA 3.35Å; V34-F105 HydrophobicContact CG1-CD1 4.41Å; V34-F105 HydrophobicContact CG1-CE1 4.16Å; V34-F105 HydrophobicContact CG1-CZ 4.35Å; V34-F105 HydrophobicContact CG2-CD1 4.2Å; V34-F105 HydrophobicContact CG2-CE1 4.31Å; F103-F105 HydrophobicContact CB-CE2 4.27Å; F105-K111 CarbonylContact O-C 3.47Å; F105-K111 WeakPolarHBondContact O-CA 3.46Å; F105-V112 HydrophobicContact CB-CG2 3.82Å; F105-V112 WeakPolarHBondContact O-CG2 3.42Å; F105-V112 PolarHBondContact O-N 3.2Å; F105-D113 HydrophobicContact CB-CB 4.09Å; F105-D113 HydrophobicContact CD2-CB 4.08Å; F105-D113 HydrophobicContact CG-CB 4.22Å; F105-D113 PolarHBondContact N-O 2.66Å; F105-V115 HydrophobicContact CE2-CG2 3.99Å; F105-V115 HydrophobicContact CZ-CG2 4.38Å; F105-L123 HydrophobicContact CE2-CD1 4.46Å; F105-L123 HydrophobicContact CZ-CD1 3.78Å; F105-K126 HydrophobicContact CE1-CB 3.75Å; F105-K126 HydrophobicContact CE2-CB 4.24Å; F105-K126 HydrophobicContact CE2-CD 4.26Å; F105-K126 HydrophobicContact CZ-CB 3.55Å; F105-K126 HydrophobicContact CZ-CD 4.36Å; F105-I127 HydrophobicContact CE1-CG1 3.7Å; F105-I127 HydrophobicContact CZ-CG1 4.26Å; F105-Y130 HydrophobicContact CD1-CD2 4.25Å |
| 106 | Y | 97.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.6 | -180 | -52.1 | -105.3 | 0 | 0 | 0 | 111.5 | L25 V33 V35 E95 A104 R110 K111 | L25-Y106 HydrophobicContact CD1-CD1 4.1Å; L25-Y106 HydrophobicContact CD1-CE1 4.19Å; L25-Y106 HydrophobicContact CD2-CD1 4.01Å; L25-Y106 HydrophobicContact CD2-CD2 3.85Å; L25-Y106 HydrophobicContact CD2-CE2 4.44Å; L25-Y106 HydrophobicContact CD2-CG 3.63Å; V33-Y106 PolarHBondContact N-O 2.83Å; V33-Y106 PolarHBondContact O-N 2.84Å; V35-Y106 HydrophobicContact CB-CE2 4.08Å; V35-Y106 HydrophobicContact CG2-CD2 3.78Å; V35-Y106 HydrophobicContact CG2-CE2 3.44Å; V35-Y106 VanDerWaalsContact CG2-CE2 3.44Å; E95-Y106 VanDerWaalsContact CD-OH 3.28Å; E95-Y106 PolarHBondContact OE2-OH 3.29Å; A104-Y106 HydrophobicContact CB-CD2 4.49Å; A104-Y106 HydrophobicContact CB-CE2 3.51Å; A104-Y106 WeakPolarHBondContact CB-OH 3.47Å; Y106-R110 CarbonylContact C-O 3.54Å; Y106-R110 WeakPolarHBondContact CA-O 3.49Å; Y106-K111 HydrophobicContact CD1-CB 3.97Å; Y106-K111 HydrophobicContact CE1-CB 3.79Å; Y106-K111 HydrophobicContact CE1-CG 4.27Å; Y106-K111 VanDerWaalsContact OH-CE 3.29Å; Y106-K111 WeakPolarHBondContact OH-CE 3.32Å |
| 107 | I | 94.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133 | 169.4 | -63.9 | 175.8 | 0 | 0 | 0 | 106.7 | L32 S109 R110 V112 Y130 | L32-I107 HydrophobicContact CD1-CG1 4.22Å; I107-S109 PolarHBondContact O-N 3.15Å; I107-R110 PolarHBondContact N-O 3.25Å; I107-R110 PolarHBondContact O-N 3.26Å; I107-V112 HydrophobicContact CB-CG1 4.08Å; I107-V112 HydrophobicContact CD1-CG1 4.48Å; I107-V112 HydrophobicContact CD1-CG2 4.26Å; I107-V112 HydrophobicContact CG1-CG1 4.36Å; I107-V112 HydrophobicContact CG1-CG2 4.18Å; I107-Y130 HydrophobicContact CD1-CD1 3.92Å |
| 108 | R | 93.5 | Very high | 94.2 | Very high | 150 Ų | 150 | 50 Ų | 50 | 57% | 0.566 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.5 | -176.8 | -62.7 | 171.9 | 178.7 | 168.6 | 0.1 | 112.6 | G29 D30 R110 | G29-R108 WeakPolarHBondContact O-CA 3.44Å; G29-R108 PolarHBondContact O-N 3.45Å; D30-R108 VanDerWaalsContact OD1-CG 3.24Å; D30-R108 WeakPolarHBondContact OD1-CG 3.35Å; D30-R108 IonicContact OD1-CZ 2.65Å; D30-R108 IonicContact OD1-NE 3.12Å; D30-R108 PolarHBondContact OD1-NE 3.2Å; D30-R108 IonicContact OD1-NH2 3.33Å; D30-R108 PolarHBondContact OD1-NH2 3.36Å; D30-R108 IonicContact OD2-CZ 3.92Å; D30-R108 IonicContact OD2-NE 3.92Å; D30-R108 IonicContact OD2-NH2 3.43Å; D30-R108 PolarHBondContact OD2-NH2 3.43Å; R108-R110 PolarHBondContact O-N 3.32Å |
| 109 | S | 93.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 49.8 Ų | 49.8 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 14.6 | -176 | -40.5 | 0 | 0 | 0 | 0 | 115.7 | L25 Q26 I107 | L25-S109 VanDerWaalsContact C-OG 3.23Å; L25-S109 PolarHBondContact O-OG 3Å; Q26-S109 WeakPolarHBondContact CA-OG 3.25Å; Q26-S109 PolarHBondContact N-OG 3.12Å; I107-S109 PolarHBondContact O-N 3.15Å |
| 110 | R | 95.1 | Very high | 94.5 | Very high | 197 Ų | 197 | 52.1 Ų | 52.1 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.3 | 175.7 | -65.9 | -175.4 | -179.9 | -164.3 | -0.4 | 109.9 | Y106 I107 R108 V112 | Y106-R110 CarbonylContact C-O 3.54Å; Y106-R110 WeakPolarHBondContact CA-O 3.49Å; I107-R110 PolarHBondContact N-O 3.25Å; I107-R110 PolarHBondContact O-N 3.26Å; R108-R110 PolarHBondContact O-N 3.32Å; R110-V112 PolarHBondContact O-N 3Å |
| 111 | K | 96 | Very high | 94.5 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 121.2 | 172.9 | -171.8 | 178 | -68.3 | 167.6 | 0 | 109.1 | E95 F105 Y106 | E95-K111 PolarHBondContact O-NZ 2.91Å; E95-K111 WeakPolarHBondContact OE2-CE 3.45Å; E95-K111 IonicContact OE2-NZ 2.74Å; E95-K111 PolarHBondContact OE2-NZ 3.42Å; F105-K111 CarbonylContact O-C 3.47Å; F105-K111 WeakPolarHBondContact O-CA 3.46Å; Y106-K111 HydrophobicContact CD1-CB 3.97Å; Y106-K111 HydrophobicContact CE1-CB 3.79Å; Y106-K111 HydrophobicContact CE1-CG 4.27Å; Y106-K111 VanDerWaalsContact OH-CE 3.29Å; Y106-K111 WeakPolarHBondContact OH-CE 3.32Å |
| 112 | V | 96 | Very high | 94.5 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 35% | 0.345 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -27.3 | -178.9 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | F105 I107 R110 Y130 | F105-V112 HydrophobicContact CB-CG2 3.82Å; F105-V112 WeakPolarHBondContact O-CG2 3.42Å; F105-V112 PolarHBondContact O-N 3.2Å; I107-V112 HydrophobicContact CB-CG1 4.08Å; I107-V112 HydrophobicContact CD1-CG1 4.48Å; I107-V112 HydrophobicContact CD1-CG2 4.26Å; I107-V112 HydrophobicContact CG1-CG1 4.36Å; I107-V112 HydrophobicContact CG1-CG2 4.18Å; R110-V112 PolarHBondContact O-N 3Å; V112-Y130 HydrophobicContact CB-CE1 3.96Å; V112-Y130 HydrophobicContact CG2-CD1 3.93Å; V112-Y130 HydrophobicContact CG2-CE1 3.7Å; V112-Y130 HydrophobicContact CG2-CG 4.48Å; V112-Y130 PolarHBondContact O-OH 2.8Å |
| 113 | D | 96.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 173.4 | 178.4 | -150.9 | -19.1 | 0 | 0 | 0 | 111.6 | F105 K126 Y130 | F105-D113 HydrophobicContact CB-CB 4.09Å; F105-D113 HydrophobicContact CD2-CB 4.08Å; F105-D113 HydrophobicContact CG-CB 4.22Å; F105-D113 PolarHBondContact N-O 2.66Å; D113-K126 IonicContact OD1-NZ 3.88Å; D113-K126 PolarHBondContact OD1-NZ 3.16Å; D113-K126 WeakPolarHBondContact OD2-CD 3.22Å; D113-K126 WeakPolarHBondContact OD2-CE 3.31Å; D113-K126 IonicContact OD2-NZ 3.31Å; D113-K126 PolarHBondContact OD2-NZ 2.72Å; D113-K126 VanDerWaalsContact OD2-NZ 3.12Å; D113-Y130 HydrophobicContact CB-CD2 4.5Å; D113-Y130 HydrophobicContact CB-CE2 3.55Å; D113-Y130 WeakPolarHBondContact OD2-CE2 3.46Å |
| 114 | Y | 96.6 | Very high | 94.1 | Very high | 142 Ų | 142 | 61.2 Ų | 61.2 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153 | 158 | 170 | 71.5 | -79.9 | 0 | 0 | 0 | 113 | F103 K126 | F103-Y114 CarbonylContact O-C 3.52Å; F103-Y114 WeakPolarHBondContact O-CA 3.24Å; F103-Y114 WeakPolarHBondContact O-CB 3.11Å; Y114-K126 PolarHBondContact O-NZ 2.94Å |
| 115 | V | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.6 | 168.7 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | T102 F103 F105 N119 E122 K126 | T102-V115 CarbonylContact C-O 3.59Å; T102-V115 WeakPolarHBondContact CA-O 3.17Å; F103-V115 HydrophobicContact CB-CB 4.29Å; F103-V115 HydrophobicContact CD2-CB 4.24Å; F103-V115 HydrophobicContact CD2-CG1 4.41Å; F103-V115 PolarHBondContact N-O 3.31Å; F103-V115 PolarHBondContact O-N 3.33Å; F105-V115 HydrophobicContact CE2-CG2 3.99Å; F105-V115 HydrophobicContact CZ-CG2 4.38Å; V115-N119 HydrophobicContact CG1-CB 4.18Å; V115-E122 HydrophobicContact CG1-CB 4.41Å; V115-E122 HydrophobicContact CG1-CG 4.36Å; V115-E122 HydrophobicContact CG2-CB 4.49Å; V115-E122 HydrophobicContact CG2-CG 3.88Å; V115-K126 HydrophobicContact CG2-CD 3.54Å |
| 116 | R | 93.4 | Very high | 93.7 | Very high | 142 Ų | 142 | 70.6 Ų | 70.6 | 54% | 0.536 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.8 | 177.5 | -172.5 | -179.8 | -179.8 | -175.8 | 2.8 | 110.2 | S98 | S98-R116 VanDerWaalsContact C-NH2 3.33Å; S98-R116 PolarHBondContact O-NH2 3.45Å; S98-R116 VanDerWaalsContact OG-CZ 3.27Å; S98-R116 PolarHBondContact OG-NH1 2.81Å; S98-R116 PolarHBondContact OG-NH2 3.31Å |
| 117 | G | 90.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 86.5 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P101 N119 | P101-G117 WeakPolarHBondContact O-CA 3.18Å; P101-G117 PolarHBondContact O-N 2.95Å; G117-N119 VanDerWaalsContact C-N 3.34Å; G117-N119 PolarHBondContact O-N 2.65Å |
| 118 | A | 91.2 | Very high | 93.3 | Very high | 43 Ų | 43 | 72.9 Ų | 72.9 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -79.9 | 81.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P60 M64 P101 | P60-A118 HydrophobicContact CB-CB 3.9Å; M64-A118 HydrophobicContact CG-CB 3.69Å; M64-A118 HydrophobicContact SD-CB 4.01Å; P101-A118 HydrophobicContact CG-CB 4.45Å |
| 119 | N | 90.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 69.5 Ų | 69.5 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | trans | -121.9 | 101.2 | 175.2 | -170.5 | -12.3 | 0 | 0 | 0 | 110.1 | V115 G117 E122 L123 | V115-N119 HydrophobicContact CG1-CB 4.18Å; G117-N119 VanDerWaalsContact C-N 3.34Å; G117-N119 PolarHBondContact O-N 2.65Å; N119-E122 HydrophobicContact CB-CB 4.17Å; N119-E122 VanDerWaalsContact CG-CB 3.41Å; N119-E122 VanDerWaalsContact ND2-CB 3.27Å; N119-E122 WeakPolarHBondContact ND2-CB 3.09Å; N119-E122 PolarHBondContact ND2-OE2 2.74Å; N119-E122 PolarHBondContact OD1-N 2.77Å; N119-L123 VanDerWaalsContact O-CB 3.3Å; N119-L123 WeakPolarHBondContact O-CB 3.4Å; N119-L123 PolarHBondContact O-N 2.69Å | ||
| 120 | R | 90.9 | Very high | 93 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.5 | -49.3 | -176.7 | -67.4 | 177.7 | 176.9 | -172.2 | -15.7 | 112 | Q63 M64 F67 E122 L123 E124 D293 | Q63-R120 PolarHBondContact O-NH2 2.75Å; M64-R120 HydrophobicContact CE-CG 3.93Å; M64-R120 HydrophobicContact SD-CG 3.49Å; M64-R120 WeakPolarHBondContact SD-CG 3.32Å; F67-R120 HydrophobicContact CD1-CB 4.1Å; F67-R120 HydrophobicContact CD1-CG 3.83Å; F67-R120 HydrophobicContact CD2-CG 4.37Å; F67-R120 HydrophobicContact CE1-CB 3.74Å; F67-R120 HydrophobicContact CE1-CG 4.01Å; F67-R120 HydrophobicContact CE2-CB 4.25Å; F67-R120 HydrophobicContact CG-CB 4.49Å; F67-R120 HydrophobicContact CG-CG 4Å; F67-R120 HydrophobicContact CZ-CB 3.79Å; F67-R120 HydrophobicContact CZ-CG 4.34Å; R120-E122 VanDerWaalsContact C-N 3.3Å; R120-E122 PolarHBondContact O-N 2.87Å; R120-L123 PolarHBondContact O-N 2.85Å; R120-E124 PolarHBondContact O-N 3.13Å; R120-D293 IonicContact CZ-OD1 2.68Å; R120-D293 IonicContact CZ-OD2 3.83Å; R120-D293 VanDerWaalsContact CZ-OD2 3.26Å; R120-D293 IonicContact NH1-OD1 3.42Å; R120-D293 IonicContact NH1-OD2 3.59Å; R120-D293 PolarHBondContact NH1-OD2 3.2Å; R120-D293 IonicContact NH2-OD1 3.51Å; R120-D293 PolarHBondContact NH2-OD1 2.91Å; R120-D293 IonicContact NH2-OD2 3.51Å; R120-D293 PolarHBondContact NH2-OD2 3.16Å |
| 121 | D | 89.6 | Confident | 92.5 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | -176.4 | -54.9 | -16.3 | 0 | 0 | 0 | 111.8 | R125 | D121-R125 WeakPolarHBondContact O-CB 3.13Å; D121-R125 PolarHBondContact O-N 3.08Å; D121-R125 VanDerWaalsContact O-N 3.1Å |
| 122 | E | 93.1 | Very high | 91.2 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.6 | -41 | 176.1 | -171.1 | -175.8 | 173.7 | 0 | 0 | 112.1 | V115 N119 R120 K126 | V115-E122 HydrophobicContact CG1-CB 4.41Å; V115-E122 HydrophobicContact CG1-CG 4.36Å; V115-E122 HydrophobicContact CG2-CB 4.49Å; V115-E122 HydrophobicContact CG2-CG 3.88Å; N119-E122 HydrophobicContact CB-CB 4.17Å; N119-E122 VanDerWaalsContact CG-CB 3.41Å; N119-E122 VanDerWaalsContact ND2-CB 3.27Å; N119-E122 WeakPolarHBondContact ND2-CB 3.09Å; N119-E122 PolarHBondContact ND2-OE2 2.74Å; N119-E122 PolarHBondContact OD1-N 2.77Å; R120-E122 VanDerWaalsContact C-N 3.3Å; R120-E122 PolarHBondContact O-N 2.87Å; E122-K126 HydrophobicContact CG-CD 4.3Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.21Å; E122-K126 PolarHBondContact O-N 2.81Å; E122-K126 WeakPolarHBondContact OE1-CE 3.37Å; E122-K126 IonicContact OE1-NZ 2.75Å; E122-K126 PolarHBondContact OE1-NZ 3.03Å |
| 123 | L | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -53 | 176.2 | 174.3 | 59 | 0 | 0 | 0 | 110.8 | V34 M64 F67 F68 F103 F105 N119 R120 K126 I127 | V34-L123 HydrophobicContact CG1-CD1 4.4Å; M64-L123 HydrophobicContact CE-CB 4.39Å; M64-L123 HydrophobicContact CE-CD2 3.44Å; M64-L123 VanDerWaalsContact CE-CD2 3.44Å; F67-L123 HydrophobicContact CD1-CD2 3.98Å; F67-L123 HydrophobicContact CE1-CB 4.38Å; F67-L123 HydrophobicContact CE1-CD2 3.97Å; F67-L123 HydrophobicContact CE1-CG 4.31Å; F68-L123 HydrophobicContact CD2-CD2 4.29Å; F103-L123 HydrophobicContact CB-CD1 3.77Å; F103-L123 HydrophobicContact CD1-CD1 3.93Å; F103-L123 HydrophobicContact CD1-CD2 3.89Å; F103-L123 HydrophobicContact CD2-CD1 4.18Å; F103-L123 HydrophobicContact CD2-CD2 4.12Å; F103-L123 HydrophobicContact CE1-CD2 3.8Å; F103-L123 HydrophobicContact CE2-CD2 4.04Å; F103-L123 HydrophobicContact CG-CD1 3.67Å; F103-L123 HydrophobicContact CG-CD2 4.06Å; F103-L123 HydrophobicContact CG-CG 4.45Å; F103-L123 HydrophobicContact CZ-CD2 3.9Å; F105-L123 HydrophobicContact CE2-CD1 4.46Å; F105-L123 HydrophobicContact CZ-CD1 3.78Å; N119-L123 VanDerWaalsContact O-CB 3.3Å; N119-L123 WeakPolarHBondContact O-CB 3.4Å; N119-L123 PolarHBondContact O-N 2.69Å; R120-L123 PolarHBondContact O-N 2.85Å; L123-K126 PolarHBondContact O-N 3.34Å; L123-I127 HydrophobicContact CD1-CD1 3.85Å; L123-I127 HydrophobicContact CD1-CG1 4.22Å; L123-I127 HydrophobicContact CG-CD1 3.97Å; L123-I127 VanDerWaalsContact O-CG1 3.27Å; L123-I127 WeakPolarHBondContact O-CG1 3.22Å; L123-I127 PolarHBondContact O-N 2.86Å |
| 124 | E | 91.4 | Very high | 87.2 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | -179.8 | 178.8 | 172.3 | -172.2 | 0 | 0 | 112 | F67 M71 R74 R120 K126 I127 V128 | F67-E124 HydrophobicContact CE1-CB 4.46Å; F67-E124 HydrophobicContact CZ-CB 3.93Å; M71-E124 HydrophobicContact SD-CB 4.04Å; M71-E124 HydrophobicContact SD-CG 3.9Å; R74-E124 IonicContact CZ-OE1 3.74Å; R74-E124 IonicContact NH1-OE1 3.7Å; R74-E124 PolarHBondContact NH1-OE1 2.88Å; R74-E124 IonicContact NH2-OE1 2.88Å; R120-E124 PolarHBondContact O-N 3.13Å; E124-K126 VanDerWaalsContact C-N 3.26Å; E124-K126 PolarHBondContact O-N 3Å; E124-I127 PolarHBondContact O-N 2.94Å; E124-I127 VanDerWaalsContact O-N 3.09Å; E124-V128 HydrophobicContact CG-CG2 4.37Å; E124-V128 WeakPolarHBondContact O-CG2 2.97Å; E124-V128 PolarHBondContact O-N 2.58Å |
| 125 | R | 92.2 | Very high | 85 | Confident | 161 Ų | 161 | 67 Ų | 67 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.6 | -41.1 | 178.3 | -169.9 | -165.1 | -35.7 | 150.4 | 11.9 | 112.3 | D121 A129 | D121-R125 WeakPolarHBondContact O-CB 3.13Å; D121-R125 PolarHBondContact O-N 3.08Å; D121-R125 VanDerWaalsContact O-N 3.1Å; R125-A129 WeakPolarHBondContact O-CB 3.44Å; R125-A129 PolarHBondContact O-N 2.74Å |
| 126 | K | 94.4 | Very high | 82.7 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 16% | 0.161 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.8 | -39.7 | 176.5 | -75.2 | -177.5 | 179.5 | -164.4 | 0 | 112.1 | F105 D113 Y114 V115 E122 L123 E124 V128 A129 Y130 | F105-K126 HydrophobicContact CE1-CB 3.75Å; F105-K126 HydrophobicContact CE2-CB 4.24Å; F105-K126 HydrophobicContact CE2-CD 4.26Å; F105-K126 HydrophobicContact CZ-CB 3.55Å; F105-K126 HydrophobicContact CZ-CD 4.36Å; D113-K126 IonicContact OD1-NZ 3.88Å; D113-K126 PolarHBondContact OD1-NZ 3.16Å; D113-K126 WeakPolarHBondContact OD2-CD 3.22Å; D113-K126 WeakPolarHBondContact OD2-CE 3.31Å; D113-K126 IonicContact OD2-NZ 3.31Å; D113-K126 PolarHBondContact OD2-NZ 2.72Å; D113-K126 VanDerWaalsContact OD2-NZ 3.12Å; Y114-K126 PolarHBondContact O-NZ 2.94Å; V115-K126 HydrophobicContact CG2-CD 3.54Å; E122-K126 HydrophobicContact CG-CD 4.3Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.21Å; E122-K126 PolarHBondContact O-N 2.81Å; E122-K126 WeakPolarHBondContact OE1-CE 3.37Å; E122-K126 IonicContact OE1-NZ 2.75Å; E122-K126 PolarHBondContact OE1-NZ 3.03Å; L123-K126 PolarHBondContact O-N 3.34Å; E124-K126 VanDerWaalsContact C-N 3.26Å; E124-K126 PolarHBondContact O-N 3Å; K126-V128 PolarHBondContact O-N 2.82Å; K126-A129 PolarHBondContact O-N 2.76Å; K126-Y130 VanDerWaalsContact O-CD2 3.23Å; K126-Y130 WeakPolarHBondContact O-CD2 3.42Å; K126-Y130 PolarHBondContact O-N 3.22Å; K126-Y130 VanDerWaalsContact O-N 3.09Å |
| 127 | I | 93 | Very high | 80.3 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.4 | -53.8 | 173.7 | -67.6 | 168.4 | 0 | 0 | 0 | 109.2 | L32 V34 M71 F75 F80 F105 L123 E124 A129 Y130 V131 | L32-I127 HydrophobicContact CD2-CG2 4.5Å; V34-I127 HydrophobicContact CG2-CG1 4.21Å; M71-I127 HydrophobicContact CB-CD1 3.92Å; M71-I127 HydrophobicContact CG-CD1 3.96Å; M71-I127 HydrophobicContact SD-CD1 4.42Å; F75-I127 HydrophobicContact CB-CG2 4.27Å; F75-I127 HydrophobicContact CD1-CG2 4.01Å; F75-I127 HydrophobicContact CD2-CG2 3.47Å; F75-I127 VanDerWaalsContact CD2-CG2 3.47Å; F75-I127 HydrophobicContact CE1-CG2 4.21Å; F75-I127 HydrophobicContact CE2-CB 4.49Å; F75-I127 HydrophobicContact CE2-CG2 3.7Å; F75-I127 HydrophobicContact CG-CG2 3.64Å; F75-I127 HydrophobicContact CZ-CG2 4.07Å; F80-I127 HydrophobicContact CE1-CD1 3.96Å; F80-I127 HydrophobicContact CZ-CD1 4.23Å; F80-I127 HydrophobicContact CZ-CG2 4.42Å; F105-I127 HydrophobicContact CE1-CG1 3.7Å; F105-I127 HydrophobicContact CZ-CG1 4.26Å; L123-I127 HydrophobicContact CD1-CD1 3.85Å; L123-I127 HydrophobicContact CD1-CG1 4.22Å; L123-I127 HydrophobicContact CG-CD1 3.97Å; L123-I127 VanDerWaalsContact O-CG1 3.27Å; L123-I127 WeakPolarHBondContact O-CG1 3.22Å; L123-I127 PolarHBondContact O-N 2.86Å; E124-I127 PolarHBondContact O-N 2.94Å; E124-I127 VanDerWaalsContact O-N 3.09Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 2.76Å; I127-Y130 PolarHBondContact O-N 3.39Å; I127-Y130 VanDerWaalsContact O-N 3.13Å; I127-V131 HydrophobicContact CG2-CG2 4.13Å; I127-V131 VanDerWaalsContact O-CG2 3.26Å; I127-V131 WeakPolarHBondContact O-CG2 3.35Å; I127-V131 PolarHBondContact O-N 3.13Å; I127-V131 VanDerWaalsContact O-N 3.08Å |
| 128 | V | 89.4 | Confident | 78.4 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.2 | -44.9 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | F75 E124 K126 Y130 | F75-V128 HydrophobicContact CE1-CG2 4.05Å; F75-V128 HydrophobicContact CZ-CG2 3.62Å; E124-V128 HydrophobicContact CG-CG2 4.37Å; E124-V128 WeakPolarHBondContact O-CG2 2.97Å; E124-V128 PolarHBondContact O-N 2.58Å; K126-V128 PolarHBondContact O-N 2.82Å; V128-Y130 VanDerWaalsContact C-N 3.31Å; V128-Y130 PolarHBondContact O-N 3.44Å |
| 129 | A | 90.2 | Very high | 76.5 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.3 | -27.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | R125 K126 I127 | R125-A129 WeakPolarHBondContact O-CB 3.44Å; R125-A129 PolarHBondContact O-N 2.74Å; K126-A129 PolarHBondContact O-N 2.76Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 2.76Å |
| 130 | Y | 91.4 | Very high | 74.8 | Confident | 68 Ų | 68 | 80 Ų | 80 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -100.5 | -13.3 | -176 | -79.4 | -71.7 | 0 | 0 | 0 | 114.6 | F105 I107 V112 D113 K126 I127 V128 K132 | F105-Y130 HydrophobicContact CD1-CD2 4.25Å; I107-Y130 HydrophobicContact CD1-CD1 3.92Å; V112-Y130 HydrophobicContact CB-CE1 3.96Å; V112-Y130 HydrophobicContact CG2-CD1 3.93Å; V112-Y130 HydrophobicContact CG2-CE1 3.7Å; V112-Y130 HydrophobicContact CG2-CG 4.48Å; V112-Y130 PolarHBondContact O-OH 2.8Å; D113-Y130 HydrophobicContact CB-CD2 4.5Å; D113-Y130 HydrophobicContact CB-CE2 3.55Å; D113-Y130 WeakPolarHBondContact OD2-CE2 3.46Å; K126-Y130 VanDerWaalsContact O-CD2 3.23Å; K126-Y130 WeakPolarHBondContact O-CD2 3.42Å; K126-Y130 PolarHBondContact O-N 3.22Å; K126-Y130 VanDerWaalsContact O-N 3.09Å; I127-Y130 PolarHBondContact O-N 3.39Å; I127-Y130 VanDerWaalsContact O-N 3.13Å; V128-Y130 VanDerWaalsContact C-N 3.31Å; V128-Y130 PolarHBondContact O-N 3.44Å; Y130-K132 PolarHBondContact O-N 3.26Å |
| 131 | V | 85.4 | Confident | 73.6 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | trans | -73.7 | 106.7 | 171.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | L32 F75 A78 I127 D133 F134 | L32-V131 HydrophobicContact CD2-CG2 3.93Å; F75-V131 HydrophobicContact CD1-CG2 4.07Å; A78-V131 HydrophobicContact CB-CG2 4.43Å; I127-V131 HydrophobicContact CG2-CG2 4.13Å; I127-V131 VanDerWaalsContact O-CG2 3.26Å; I127-V131 WeakPolarHBondContact O-CG2 3.35Å; I127-V131 PolarHBondContact O-N 3.13Å; I127-V131 VanDerWaalsContact O-N 3.08Å; V131-D133 PolarHBondContact O-N 3.29Å; V131-F134 HydrophobicContact CB-CB 4.24Å; V131-F134 HydrophobicContact CG1-CB 3.83Å; V131-F134 HydrophobicContact CG1-CD2 4.4Å | ||
| 132 | K | 67 | Low | 73.2 | Confident | 138 Ų | 138 | 77.4 Ų | 77.4 | 60% | 0.6 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -23.3 | -172 | -70.4 | -176.5 | 176.5 | 178.8 | 0 | 115.1 | Y130 | Y130-K132 PolarHBondContact O-N 3.26Š|
| 133 | D | 55.6 | Low | 72.9 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | 35.1 | -175 | -54.1 | -44.1 | 0 | 0 | 0 | 110.5 | V131 D135 | V131-D133 PolarHBondContact O-N 3.29Å; D133-D135 PolarHBondContact O-N 3.22Å |
| 134 | F | 53.2 | Low | 72.3 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | trans | -75.1 | 87.2 | 166.8 | -160.4 | -95.7 | 0 | 0 | 0 | 106.5 | F75 V131 E136 | F75-F134 AromaticContact CD1-CD2 3.83Å; F75-F134 HydrophobicContact CD1-CD2 3.83Å; F75-F134 AromaticContact CD1-CE2 3.75Å; F75-F134 HydrophobicContact CD1-CE2 3.75Å; F75-F134 AromaticContact CE1-CD2 3.88Å; F75-F134 HydrophobicContact CE1-CD2 3.88Å; F75-F134 AromaticContact CE1-CE2 3.69Å; F75-F134 HydrophobicContact CE1-CE2 3.69Å; F75-F134 HydrophobicContact CE1-CZ 4.27Å; V131-F134 HydrophobicContact CB-CB 4.24Å; V131-F134 HydrophobicContact CG1-CB 3.83Å; V131-F134 HydrophobicContact CG1-CD2 4.4Å; F134-E136 PolarHBondContact O-N 2.79Å; F134-E136 VanDerWaalsContact O-N 3.11Å | ||
| 135 | D | 49.8 | Very low | 71.9 | Confident | 108 Ų | 108 | 82.3 Ų | 82.3 | 58% | 0.578 | 45% | 0.451 | S | S | * | . | trans | -52.3 | 120.4 | 156.9 | -93.8 | -28.6 | 0 | 0 | 0 | 105.2 | D133 D137 T138 | D133-D135 PolarHBondContact O-N 3.22Å; D135-D137 HydrophobicContact CB-CB 4.4Å; D135-D137 PolarHBondContact O-N 2.87Å; D135-T138 WeakPolarHBondContact CB-OG1 3.07Å; D135-T138 WeakPolarHBondContact O-CB 3.02Å; D135-T138 PolarHBondContact O-N 3.02Å | ||
| 136 | E | 48.7 | Very low | 71.8 | Confident | 159 Ų | 159 | 76.6 Ų | 76.6 | 74% | 0.743 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.7 | 170.8 | -71.2 | -177.3 | 154.8 | 0 | 0 | 110.9 | F134 S140 | F134-E136 PolarHBondContact O-N 2.79Å; F134-E136 VanDerWaalsContact O-N 3.11Å; E136-S140 VanDerWaalsContact O-CB 3.32Å; E136-S140 WeakPolarHBondContact O-CB 3.45Å; E136-S140 PolarHBondContact O-N 2.87Å; E136-S140 PolarHBondContact O-OG 2.82Å |
| 137 | D | 43.2 | Very low | 71.5 | Confident | 144 Ų | 144 | 76.6 Ų | 76.6 | 77% | 0.77 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.5 | 172.6 | -65.4 | -31 | 0 | 0 | 0 | 114.6 | D135 E139 | D135-D137 HydrophobicContact CB-CB 4.4Å; D135-D137 PolarHBondContact O-N 2.87Å; D137-E139 PolarHBondContact O-N 2.7Å |
| 138 | T | 50.5 | Low | 71.3 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 71.9 | 167.2 | -55.6 | 0 | 0 | 0 | 0 | 108.6 | D135 | D135-T138 WeakPolarHBondContact CB-OG1 3.07Å; D135-T138 WeakPolarHBondContact O-CB 3.02Å; D135-T138 PolarHBondContact O-N 3.02Å |
| 139 | E | 52.2 | Low | 71.3 | Confident | 106 Ų | 106 | 74.3 Ų | 74.3 | 50% | 0.495 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 61.6 | 177.1 | -62.7 | -173.3 | 156.7 | 0 | 0 | 114.6 | D137 C141 K175 | D137-E139 PolarHBondContact O-N 2.7Å; E139-C141 PolarHBondContact O-N 2.84Å; E139-K175 WeakPolarHBondContact OE1-CD 3.3Å; E139-K175 WeakPolarHBondContact OE1-CE 3.28Å; E139-K175 IonicContact OE1-NZ 3.8Å; E139-K175 PolarHBondContact OE1-NZ 3Å; E139-K175 IonicContact OE2-NZ 3.93Å |
| 140 | S | 53.6 | Low | 71.2 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -51.9 | 129.7 | 144.2 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | E136 I142 | E136-S140 VanDerWaalsContact O-CB 3.32Å; E136-S140 WeakPolarHBondContact O-CB 3.45Å; E136-S140 PolarHBondContact O-N 2.87Å; E136-S140 PolarHBondContact O-OG 2.82Å; S140-I142 PolarHBondContact O-N 2.73Å | ||
| 141 | C | 67.6 | Low | 70.8 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | trans | -53.4 | 131 | 172.7 | 179 | 0 | 0 | 0 | 0 | 108.2 | E139 V143 Q146 Y288 | E139-C141 PolarHBondContact O-N 2.84Å; C141-V143 PolarHBondContact O-N 3.08Å; C141-Q146 WeakPolarHBondContact CB-O 3.07Å; C141-Q146 PolarHBondContact SG-O 2.78Å; C141-Y288 WeakPolarHBondContact SG-CD1 3.11Å | ||
| 142 | I | 80.5 | Confident | 70.4 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -57.3 | -22.8 | -179.3 | -57.8 | 173.3 | 0 | 0 | 0 | 110.8 | S140 P144 V252 | S140-I142 PolarHBondContact O-N 2.73Å; I142-P144 WeakPolarHBondContact O-CD 3.34Å; I142-V252 HydrophobicContact CG2-CG2 4.24Å |
| 143 | V | 86.5 | Confident | 71.3 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -102.4 | 111.5 | -179.5 | -170 | 0 | 0 | 0 | 0 | 110.3 | C141 G145 Q146 V252 Y288 | C141-V143 PolarHBondContact O-N 3.08Å; V143-G145 PolarHBondContact O-N 2.68Å; V143-Q146 HydrophobicContact CB-CB 4.05Å; V143-Q146 HydrophobicContact CB-CG 4.07Å; V143-Q146 HydrophobicContact CG1-CB 4.09Å; V143-Q146 HydrophobicContact CG1-CG 3.53Å; V143-Q146 PolarHBondContact O-N 3.06Å; V143-Q146 VanDerWaalsContact O-N 3.11Å; V143-V252 HydrophobicContact CG2-CB 4.47Å; V143-V252 HydrophobicContact CG2-CG1 3.73Å; V143-V252 HydrophobicContact CG2-CG2 3.97Å; V143-Y288 HydrophobicContact CB-CG 4.36Å; V143-Y288 HydrophobicContact CG2-CD1 4.26Å; V143-Y288 HydrophobicContact CG2-CD2 3.62Å; V143-Y288 HydrophobicContact CG2-CE2 4.19Å; V143-Y288 HydrophobicContact CG2-CG 3.65Å |
| 144 | P | 82.9 | Confident | 72.7 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 77% | 0.773 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 130.9 | -180 | -27 | 35 | 0 | 0 | 0 | 112.8 | I142 Q146 | I142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-Q146 PolarHBondContact O-N 3.44Å |
| 145 | G | 83.3 | Confident | 74.2 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 75% | 0.753 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 4.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V143 | V143-G145 PolarHBondContact O-N 2.68Š|
| 146 | Q | 89.1 | Confident | 76.1 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 19% | 0.192 | 36% | 0.362 | C | S | . | . | trans | -111.4 | 161.7 | 172.2 | -52.9 | -54.8 | -48.6 | 0 | 0 | 110.6 | C141 V143 P144 H201 G289 | C141-Q146 WeakPolarHBondContact CB-O 3.07Å; C141-Q146 PolarHBondContact SG-O 2.78Å; V143-Q146 HydrophobicContact CB-CB 4.05Å; V143-Q146 HydrophobicContact CB-CG 4.07Å; V143-Q146 HydrophobicContact CG1-CB 4.09Å; V143-Q146 HydrophobicContact CG1-CG 3.53Å; V143-Q146 PolarHBondContact O-N 3.06Å; V143-Q146 VanDerWaalsContact O-N 3.11Å; P144-Q146 PolarHBondContact O-N 3.44Å; Q146-H201 HydrophobicContact CG-CB 3.91Å; Q146-G289 VanDerWaalsContact OE1-C 3.32Å; Q146-G289 VanDerWaalsContact OE1-CA 3.31Å | ||
| 147 | E | 87.5 | Confident | 78 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.8 | 169.9 | -61.9 | -179.5 | -147 | 0 | 0 | 109.5 | L149 Y152 Y288 G289 | E147-L149 PolarHBondContact O-N 2.92Å; E147-Y152 HydrophobicContact CB-CE2 4.3Å; E147-Y152 WeakPolarHBondContact OE2-CE2 3.15Å; E147-Y152 VanDerWaalsContact OE2-CZ 3.22Å; E147-Y152 PolarHBondContact OE2-OH 2.95Å; E147-Y288 WeakPolarHBondContact O-CA 3.44Å; E147-G289 PolarHBondContact N-O 2.68Å; E147-G289 PolarHBondContact O-N 2.91Å |
| 148 | D | 89.3 | Confident | 80.4 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 103.7 | 167.7 | -171.8 | -17.2 | 0 | 0 | 0 | 109.1 | M150 M151 Y288 | D148-M150 PolarHBondContact O-N 2.86Å; D148-M150 WeakPolarHBondContact OD1-CB 3.44Å; D148-M150 WeakPolarHBondContact OD1-CG 3.13Å; D148-M150 PolarHBondContact OD1-N 2.93Å; D148-M151 HydrophobicContact CB-CE 3.72Å; D148-M151 VanDerWaalsContact O-CE 3.25Å; D148-M151 WeakPolarHBondContact O-CE 3.33Å; D148-M151 WeakPolarHBondContact O-CG 3.48Å; D148-M151 PolarHBondContact O-N 3.12Å; D148-Y288 HydrophobicContact CB-CD1 4.05Å; D148-Y288 HydrophobicContact CB-CE1 3.97Å |
| 149 | L | 90.4 | Very high | 82.5 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -68.9 | -18.7 | -175.8 | -59 | 179.7 | 0 | 0 | 0 | 112.4 | E147 M151 Y152 V153 F194 A198 L200 I287 P291 | E147-L149 PolarHBondContact O-N 2.92Å; L149-M151 PolarHBondContact O-N 3.41Å; L149-Y152 HydrophobicContact CD2-CD2 4.27Å; L149-Y152 PolarHBondContact O-N 3.15Å; L149-V153 PolarHBondContact O-N 3.45Å; L149-F194 HydrophobicContact CB-CD1 4.43Å; L149-F194 HydrophobicContact CB-CE1 3.87Å; L149-F194 HydrophobicContact CD1-CE1 4.25Å; L149-F194 HydrophobicContact CD1-CZ 4.46Å; L149-A198 HydrophobicContact CD1-CB 3.63Å; L149-A198 HydrophobicContact CD2-CB 4.42Å; L149-L200 HydrophobicContact CD1-CD2 3.38Å; L149-I287 HydrophobicContact CB-CB 4.47Å; L149-I287 HydrophobicContact CB-CG2 4.42Å; L149-I287 WeakPolarHBondContact CB-O 3.39Å; L149-I287 HydrophobicContact CD1-CG2 4.1Å; L149-I287 PolarHBondContact N-O 2.91Å; L149-P291 HydrophobicContact CD2-CG 4.05Å |
| 150 | M | 88.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -62.2 | -28.6 | 177.9 | -59.6 | -59.4 | -73.4 | 0 | 0 | 111.6 | D148 Y152 V153 L173 I192 L285 I287 | D148-M150 PolarHBondContact O-N 2.86Å; D148-M150 WeakPolarHBondContact OD1-CB 3.44Å; D148-M150 WeakPolarHBondContact OD1-CG 3.13Å; D148-M150 PolarHBondContact OD1-N 2.93Å; M150-Y152 PolarHBondContact O-N 3.03Å; M150-Y152 VanDerWaalsContact O-N 3.15Å; M150-V153 PolarHBondContact O-N 3.36Å; M150-V153 HydrophobicContact SD-CG2 4.38Å; M150-L173 HydrophobicContact CE-CD2 3.11Å; M150-I192 HydrophobicContact CE-CD1 4.27Å; M150-I192 HydrophobicContact SD-CD1 4.34Å; M150-L285 HydrophobicContact CE-CB 4.35Å; M150-L285 HydrophobicContact CE-CD2 4.03Å; M150-L285 HydrophobicContact CE-CG 4.01Å; M150-L285 WeakPolarHBondContact CG-O 3.25Å; M150-I287 HydrophobicContact CG-CB 4.23Å; M150-I287 HydrophobicContact CG-CG1 4.3Å; M150-I287 HydrophobicContact SD-CB 3.97Å; M150-I287 HydrophobicContact SD-CD1 3.47Å; M150-I287 WeakPolarHBondContact SD-CD1 3.42Å; M150-I287 HydrophobicContact SD-CG1 3.57Å; M150-I287 VanDerWaalsContact SD-CG1 3.57Å |
| 151 | M | 81.7 | Confident | 86.6 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -65.4 | -16.7 | 175.5 | 85.6 | -179.4 | 63.3 | 0 | 0 | 113.5 | R74 D148 L149 | R74-M151 HydrophobicContact CB-SD 4.42Å; D148-M151 HydrophobicContact CB-CE 3.72Å; D148-M151 VanDerWaalsContact O-CE 3.25Å; D148-M151 WeakPolarHBondContact O-CE 3.33Å; D148-M151 WeakPolarHBondContact O-CG 3.48Å; D148-M151 PolarHBondContact O-N 3.12Å; L149-M151 PolarHBondContact O-N 3.41Å |
| 152 | Y | 78 | Confident | 88 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 7% | 0.071 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -106.2 | -5.4 | -179.8 | -51.5 | -54.4 | 0 | 0 | 0 | 113.6 | R70 R73 E147 L149 M150 P291 | R70-Y152 HydrophobicContact CB-CE1 3.84Å; R70-Y152 HydrophobicContact CG-CD1 4.36Å; R70-Y152 HydrophobicContact CG-CE1 3.93Å; R73-Y152 HydrophobicContact CB-CD1 4.38Å; R73-Y152 HydrophobicContact CB-CE1 4.17Å; R73-Y152 PolarHBondContact NH1-O 3.37Å; E147-Y152 HydrophobicContact CB-CE2 4.3Å; E147-Y152 WeakPolarHBondContact OE2-CE2 3.15Å; E147-Y152 VanDerWaalsContact OE2-CZ 3.22Å; E147-Y152 PolarHBondContact OE2-OH 2.95Å; L149-Y152 HydrophobicContact CD2-CD2 4.27Å; L149-Y152 PolarHBondContact O-N 3.15Å; M150-Y152 PolarHBondContact O-N 3.03Å; M150-Y152 VanDerWaalsContact O-N 3.15Å; Y152-P291 HydrophobicContact CE2-CG 4.29Å |
| 153 | V | 84.8 | Confident | 88.7 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | trans | -75.9 | 134.9 | 178.1 | 173 | 0 | 0 | 0 | 0 | 109.4 | L149 M150 C158 I192 F194 | L149-V153 PolarHBondContact O-N 3.45Å; M150-V153 PolarHBondContact O-N 3.36Å; M150-V153 HydrophobicContact SD-CG2 4.38Å; V153-C158 WeakPolarHBondContact CG1-SG 3.14Å; V153-I192 HydrophobicContact CG1-CG2 4.03Å; V153-I192 HydrophobicContact CG2-CG2 3.69Å; V153-F194 HydrophobicContact CG2-CD1 3.99Å; V153-F194 HydrophobicContact CG2-CE1 3.97Å | ||
| 154 | N | 84.8 | Confident | 89.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -95.8 | 115.7 | 170.4 | 176.2 | 15.6 | 0 | 0 | 0 | 108.2 | K156 D157 | N154-K156 PolarHBondContact O-N 2.96Å; N154-K156 PolarHBondContact OD1-N 3.33Å; N154-D157 HydrophobicContact CB-CB 4.44Å; N154-D157 WeakPolarHBondContact CB-OD2 3.28Å; N154-D157 PolarHBondContact ND2-OD2 2.56Å; N154-D157 PolarHBondContact O-N 3.42Å | ||
| 155 | P | 86.1 | Confident | 89.7 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -55.1 | -27.7 | -177.4 | -25.3 | 32.5 | 0 | 0 | 0 | 113.9 | D157 C158 L173 | P155-D157 VanDerWaalsContact C-N 3.26Å; P155-D157 PolarHBondContact O-N 2.84Å; P155-C158 PolarHBondContact O-N 3.11Å; P155-L173 HydrophobicContact CB-CD1 4Å; P155-L173 HydrophobicContact CG-CD1 3.71Å |
| 156 | K | 87.9 | Confident | 90.2 | Very high | 186 Ų | 186 | 56.3 Ų | 56.3 | 81% | 0.809 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -69.9 | -21 | 178.3 | -62.2 | -177.3 | 178.2 | -178.3 | 0 | 114.4 | N154 C158 | N154-K156 PolarHBondContact O-N 2.96Å; N154-K156 PolarHBondContact OD1-N 3.33Å; K156-C158 VanDerWaalsContact C-N 3.32Å |
| 157 | D | 90.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -94.2 | 3.4 | 177.9 | -67.3 | -55 | 0 | 0 | 0 | 111.5 | N154 P155 F191 K193 | N154-D157 HydrophobicContact CB-CB 4.44Å; N154-D157 WeakPolarHBondContact CB-OD2 3.28Å; N154-D157 PolarHBondContact ND2-OD2 2.56Å; N154-D157 PolarHBondContact O-N 3.42Å; P155-D157 VanDerWaalsContact C-N 3.26Å; P155-D157 PolarHBondContact O-N 2.84Å; D157-F191 WeakPolarHBondContact O-CE1 3.33Å; D157-K193 HydrophobicContact CB-CB 4.14Å; D157-K193 HydrophobicContact CB-CD 4.25Å; D157-K193 VanDerWaalsContact O-CB 3.31Å; D157-K193 WeakPolarHBondContact O-CB 3.44Å |
| 158 | C | 92.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | trans | -107.6 | 159.9 | 178 | -60 | 0 | 0 | 0 | 0 | 110.7 | V153 P155 K156 F169 F191 | V153-C158 WeakPolarHBondContact CG1-SG 3.14Å; P155-C158 PolarHBondContact O-N 3.11Å; K156-C158 VanDerWaalsContact C-N 3.32Å; C158-F169 HydrophobicContact CB-CD1 4.3Å; C158-F169 HydrophobicContact CB-CE1 3.7Å; C158-F191 VanDerWaalsContact CA-O 3.22Å; C158-F191 WeakPolarHBondContact CA-O 3.18Å; C158-F191 VanDerWaalsContact CB-O 3.22Å; C158-F191 WeakPolarHBondContact CB-O 3.47Å | ||
| 159 | E | 94.2 | Very high | 91 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 139.6 | 177.8 | -179.1 | 177.7 | -170.2 | 0 | 0 | 108.2 | L161 F191 C225 | E159-L161 HydrophobicContact CG-CD2 4.14Å; E159-F191 HydrophobicContact CB-CB 4.22Å; E159-F191 HydrophobicContact CB-CD1 4.44Å; E159-F191 PolarHBondContact N-O 2.93Å; E159-F191 PolarHBondContact O-N 2.84Å; E159-C225 PolarHBondContact OE2-SG 2.8Å; E159-C225 VanDerWaalsContact OE2-SG 3.33Å |
| 160 | C | 96.1 | Very high | 91 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.095 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.6 | 176 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | E163 F169 L189 | C160-E163 HydrophobicContact CB-CB 4.4Å; C160-E163 HydrophobicContact CB-CG 4.42Å; C160-E163 WeakPolarHBondContact CB-OE2 3.43Å; C160-F169 HydrophobicContact CB-CB 3.56Å; C160-F169 HydrophobicContact CB-CD2 4.49Å; C160-F169 HydrophobicContact CB-CG 4.06Å; C160-L189 CarbonylContact C-O 3.56Å; C160-L189 WeakPolarHBondContact CA-O 3.22Å |
| 161 | L | 96.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 143.6 | 177.3 | -53.3 | -179.1 | 0 | 0 | 0 | 110.4 | E159 E163 L189 F228 | E159-L161 HydrophobicContact CG-CD2 4.14Å; L161-E163 VanDerWaalsContact C-N 3.28Å; L161-L189 HydrophobicContact CB-CB 4.05Å; L161-L189 HydrophobicContact CD1-CB 4.31Å; L161-L189 HydrophobicContact CD1-CD2 4.2Å; L161-L189 HydrophobicContact CG-CB 4.36Å; L161-L189 HydrophobicContact CG-CD2 4.49Å; L161-L189 PolarHBondContact N-O 3.32Å; L161-L189 PolarHBondContact O-N 2.86Å; L161-F228 HydrophobicContact CB-CE2 3.89Å; L161-F228 HydrophobicContact CB-CZ 3.87Å; L161-F228 HydrophobicContact CD1-CE2 4.45Å |
| 162 | N | 96.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 56.7 Ų | 56.7 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 26.3 | -176.2 | -163.2 | 40.1 | 0 | 0 | 0 | 113.8 | S182 D183 C184 D185 Q187 L188 F228 | N162-S182 CarbonylContact O-C 3.52Å; N162-S182 WeakPolarHBondContact O-CA 3.39Å; N162-D183 PolarHBondContact O-N 3.31Å; N162-C184 WeakPolarHBondContact OD1-CB 3.45Å; N162-C184 PolarHBondContact OD1-N 3.24Å; N162-D185 PolarHBondContact ND2-O 3.27Å; N162-D185 PolarHBondContact ND2-OD1 3.11Å; N162-Q187 PolarHBondContact ND2-O 2.94Å; N162-L188 HydrophobicContact CB-CD2 4.5Å; N162-L188 WeakPolarHBondContact O-CD2 3.39Å; N162-F228 HydrophobicContact CB-CE2 4.26Å; N162-F228 HydrophobicContact CB-CZ 3.66Å |
| 163 | E | 96.1 | Very high | 91.9 | Very high | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -78 | 145.9 | 169.3 | 68.9 | -178.2 | 177.8 | 0 | 0 | 111.6 | C160 L161 P168 F169 L180 | C160-E163 HydrophobicContact CB-CB 4.4Å; C160-E163 HydrophobicContact CB-CG 4.42Å; C160-E163 WeakPolarHBondContact CB-OE2 3.43Å; L161-E163 VanDerWaalsContact C-N 3.28Å; E163-P168 WeakPolarHBondContact OE2-CA 3.43Å; E163-F169 VanDerWaalsContact OE2-CB 3.26Å; E163-F169 WeakPolarHBondContact OE2-CB 3.26Å; E163-F169 PolarHBondContact OE2-N 2.96Å; E163-L180 HydrophobicContact CB-CD1 3.7Å |
| 164 | K | 96.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 30% | 0.296 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -81.3 | 137.4 | 172.9 | -173.1 | 171.5 | -177.9 | 175.9 | 0 | 110.8 | D166 H167 E181 D183 | K164-D166 VanDerWaalsContact C-N 3.26Å; K164-D166 PolarHBondContact O-N 3.35Å; K164-D166 VanDerWaalsContact O-N 3.16Å; K164-H167 HydrophobicContact CB-CB 4.49Å; K164-H167 CarbonylContact O-C 3.12Å; K164-H167 WeakPolarHBondContact O-CA 3.4Å; K164-H167 PolarHBondContact O-N 3.11Å; K164-E181 HydrophobicContact CB-CB 4.46Å; K164-E181 PolarHBondContact N-O 3.3Å; K164-D183 HydrophobicContact CB-CB 4.17Å |
| 165 | D | 93.6 | Very high | 90.8 | Very high | 156 Ų | 156 | 62 Ų | 62 | 83% | 0.834 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -37.9 | -176.6 | -73.7 | -23.3 | 0 | 0 | 0 | 113.9 | H167 | D165-H167 VanDerWaalsContact C-N 3.33Š|
| 166 | D | 94.4 | Very high | 90.3 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 66% | 0.658 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -16.1 | 179.5 | -68.6 | -35.1 | 0 | 0 | 0 | 113.3 | K164 P168 H171 | K164-D166 VanDerWaalsContact C-N 3.26Å; K164-D166 PolarHBondContact O-N 3.35Å; K164-D166 VanDerWaalsContact O-N 3.16Å; D166-P168 VanDerWaalsContact C-CD 3.45Å; D166-H171 PolarHBondContact O-CE1 3.34Å |
| 167 | H | 94.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 18% | 0.181 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -133.8 | 60.7 | -175.9 | -67.7 | -61.9 | 0 | 0 | 0 | 111.5 | K164 D165 W179 L180 E181 | K164-H167 HydrophobicContact CB-CB 4.49Å; K164-H167 CarbonylContact O-C 3.12Å; K164-H167 WeakPolarHBondContact O-CA 3.4Å; K164-H167 PolarHBondContact O-N 3.11Å; D165-H167 VanDerWaalsContact C-N 3.33Å; H167-W179 WeakPolarHBondContact CB-O 3.3Å; H167-W179 AromaticContact CD2-NE1 3.83Å; H167-W179 AromaticContact CE1-CE2 3.4Å; H167-W179 VanDerWaalsContact CE1-CE2 3.4Å; H167-W179 AromaticContact CE1-CH2 3.83Å; H167-W179 AromaticContact CE1-CZ2 3.27Å; H167-W179 WeakPolarHBondContact CE1-CZ2 2.91Å; H167-W179 AromaticContact CE1-NE1 3.73Å; H167-W179 AromaticContact CG-NE1 3.7Å; H167-W179 AromaticContact ND1-CE2 3.6Å; H167-W179 AromaticContact ND1-CZ2 3.96Å; H167-W179 AromaticContact ND1-NE1 3.61Å; H167-W179 AromaticContact NE2-CE2 3.81Å; H167-W179 AromaticContact NE2-CZ2 3.56Å; H167-W179 AromaticContact NE2-NE1 3.87Å; H167-L180 WeakPolarHBondContact O-CA 3.1Å; H167-L180 WeakPolarHBondContact O-CD1 3.16Å; H167-E181 HydrophobicContact CB-CB 3.65Å; H167-E181 IonicContact CD2-OE2 3.33Å; H167-E181 PolarHBondContact CD2-OE2 3.28Å; H167-E181 VanDerWaalsContact CD2-OE2 3.29Å; H167-E181 IonicContact CG-OE2 2.66Å; H167-E181 IonicContact NE2-OE2 3.84Å; H167-E181 PolarHBondContact O-N 3.21Å; H167-E181 VanDerWaalsContact O-N 3.13Å |
| 168 | P | 94.5 | Very high | 90.1 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | trans | -73.2 | 164.4 | -177.4 | 31 | -39.3 | 0 | 0 | 0 | 113 | E163 D166 S170 H171 | E163-P168 WeakPolarHBondContact OE2-CA 3.43Å; D166-P168 VanDerWaalsContact C-CD 3.45Å; P168-S170 PolarHBondContact O-N 3.43Å; P168-H171 VanDerWaalsContact CD-CE1 3.49Å; P168-H171 WeakPolarHBondContact CD-CE1 3.47Å; P168-H171 WeakPolarHBondContact O-CB 3.39Å; P168-H171 PolarHBondContact O-N 2.99Å | ||
| 169 | F | 93.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -51 | -33 | 177.3 | 170.9 | -109.2 | 0 | 0 | 0 | 113.4 | C158 C160 E163 H171 C172 L173 L180 I190 I192 L285 | C158-F169 HydrophobicContact CB-CD1 4.3Å; C158-F169 HydrophobicContact CB-CE1 3.7Å; C160-F169 HydrophobicContact CB-CB 3.56Å; C160-F169 HydrophobicContact CB-CD2 4.49Å; C160-F169 HydrophobicContact CB-CG 4.06Å; E163-F169 VanDerWaalsContact OE2-CB 3.26Å; E163-F169 WeakPolarHBondContact OE2-CB 3.26Å; E163-F169 PolarHBondContact OE2-N 2.96Å; F169-H171 PolarHBondContact O-N 3.49Å; F169-C172 PolarHBondContact O-N 3.11Å; F169-C172 PolarHBondContact O-SG 3.41Å; F169-L173 HydrophobicContact CD1-CD1 4.26Å; F169-L173 HydrophobicContact CD1-CG 4.44Å; F169-L173 HydrophobicContact CE1-CD1 3.89Å; F169-L173 HydrophobicContact CE1-CD2 3.75Å; F169-L173 HydrophobicContact CE1-CG 4.05Å; F169-L173 HydrophobicContact CE2-CD2 4.15Å; F169-L173 HydrophobicContact CZ-CD1 4.5Å; F169-L173 HydrophobicContact CZ-CD2 3.51Å; F169-L173 HydrophobicContact CZ-CG 4.22Å; F169-L180 HydrophobicContact CB-CD1 4.47Å; F169-L180 HydrophobicContact CD2-CD2 4.27Å; F169-I190 HydrophobicContact CD2-CG2 3.76Å; F169-I190 HydrophobicContact CE2-CG2 3.28Å; F169-I190 HydrophobicContact CZ-CG2 3.88Å; F169-I192 HydrophobicContact CE2-CD1 4.44Å; F169-I192 HydrophobicContact CZ-CD1 4.01Å; F169-I192 HydrophobicContact CZ-CG1 3.89Å; F169-L285 HydrophobicContact CE2-CD2 3.86Å; F169-L285 HydrophobicContact CZ-CD2 4.47Å |
| 170 | S | 91 | Very high | 90.3 | Very high | 60 Ų | 60 | 57 Ų | 57 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -58.1 | -22.8 | 177.7 | 54.8 | 0 | 0 | 0 | 0 | 114 | P168 | P168-S170 PolarHBondContact O-N 3.43Š|
| 171 | H | 92.2 | Very high | 90.4 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 25% | 0.25 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -68.7 | -42.5 | 178.5 | -70.2 | 171.2 | 0 | 0 | 0 | 112.5 | D166 P168 F169 L173 S174 A178 W179 | D166-H171 PolarHBondContact O-CE1 3.34Å; P168-H171 VanDerWaalsContact CD-CE1 3.49Å; P168-H171 WeakPolarHBondContact CD-CE1 3.47Å; P168-H171 WeakPolarHBondContact O-CB 3.39Å; P168-H171 PolarHBondContact O-N 2.99Å; F169-H171 PolarHBondContact O-N 3.49Å; H171-L173 PolarHBondContact O-N 2.85Å; H171-S174 PolarHBondContact O-N 3.4Å; H171-S174 PolarHBondContact O-OG 3.33Å; H171-A178 HydrophobicContact CB-CB 3.66Å; H171-W179 WeakPolarHBondContact CB-O 3.19Å; H171-W179 PolarHBondContact ND1-O 2.84Å |
| 172 | C | 89.1 | Confident | 90.4 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.7 | -179.3 | 71 | 0 | 0 | 0 | 0 | 114.1 | F169 L180 I282 M283 L285 | F169-C172 PolarHBondContact O-N 3.11Å; F169-C172 PolarHBondContact O-SG 3.41Å; C172-L180 HydrophobicContact CB-CB 4.16Å; C172-I282 HydrophobicContact CB-CG2 4.16Å; C172-M283 WeakPolarHBondContact CA-O 3.49Å; C172-L285 HydrophobicContact CB-CB 4.48Å; C172-L285 PolarHBondContact O-N 2.99Å |
| 173 | L | 85.3 | Confident | 90.4 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23.2 | 169.8 | -59.4 | -177.5 | 0 | 0 | 0 | 112.9 | M150 P155 F169 H171 | M150-L173 HydrophobicContact CE-CD2 3.11Å; P155-L173 HydrophobicContact CB-CD1 4Å; P155-L173 HydrophobicContact CG-CD1 3.71Å; F169-L173 HydrophobicContact CD1-CD1 4.26Å; F169-L173 HydrophobicContact CD1-CG 4.44Å; F169-L173 HydrophobicContact CE1-CD1 3.89Å; F169-L173 HydrophobicContact CE1-CD2 3.75Å; F169-L173 HydrophobicContact CE1-CG 4.05Å; F169-L173 HydrophobicContact CE2-CD2 4.15Å; F169-L173 HydrophobicContact CZ-CD1 4.5Å; F169-L173 HydrophobicContact CZ-CD2 3.51Å; F169-L173 HydrophobicContact CZ-CG 4.22Å; H171-L173 PolarHBondContact O-N 2.85Å |
| 174 | S | 74.9 | Confident | 90.2 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -102.5 | 142.8 | -179.6 | 70.7 | 0 | 0 | 0 | 0 | 109.4 | H171 S176 | H171-S174 PolarHBondContact O-N 3.4Å; H171-S174 PolarHBondContact O-OG 3.33Å; S174-S176 PolarHBondContact O-N 2.8Å; S174-S176 PolarHBondContact OG-OG 2.94Å |
| 175 | K | 70.7 | Confident | 90.2 | Very high | 100 Ų | 100 | 59.3 Ų | 59.3 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -78.4 | 44.5 | 171.8 | -56.4 | -161.4 | -166.6 | 154.1 | 0 | 112.2 | E139 | E139-K175 WeakPolarHBondContact OE1-CD 3.3Å; E139-K175 WeakPolarHBondContact OE1-CE 3.28Å; E139-K175 IonicContact OE1-NZ 3.8Å; E139-K175 PolarHBondContact OE1-NZ 3Å; E139-K175 IonicContact OE2-NZ 3.93Å |
| 176 | S | 75.1 | Confident | 90.3 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -95 | 174 | 175.1 | 71.7 | 0 | 0 | 0 | 0 | 110.6 | S174 A178 | S174-S176 PolarHBondContact O-N 2.8Å; S174-S176 PolarHBondContact OG-OG 2.94Å; S176-A178 PolarHBondContact O-N 2.96Å; S176-A178 WeakPolarHBondContact OG-CB 3.39Å; S176-A178 PolarHBondContact OG-N 3.12Å |
| 177 | E | 83.7 | Confident | 90.4 | Very high | 171 Ų | 171 | 50.6 Ų | 50.6 | 80% | 0.799 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -74.3 | -0.8 | 173.4 | -64.5 | -173 | 162.9 | 0 | 0 | 113.2 | W179 | E177-W179 VanDerWaalsContact O-CE3 3.32Š|
| 178 | A | 91.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | trans | -73.4 | 154.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | H171 S176 | H171-A178 HydrophobicContact CB-CB 3.66Å; S176-A178 PolarHBondContact O-N 2.96Å; S176-A178 WeakPolarHBondContact OG-CB 3.39Å; S176-A178 PolarHBondContact OG-N 3.12Å | ||
| 179 | W | 94.8 | Very high | 90.7 | Very high | 53 Ų | 53 | 47.5 Ų | 47.5 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | trans | -134.2 | 158.7 | 178.9 | 61.9 | 93.9 | 0 | 0 | 0 | 111.4 | H167 H171 E177 E181 K208 I282 M283 | H167-W179 WeakPolarHBondContact CB-O 3.3Å; H167-W179 AromaticContact CD2-NE1 3.83Å; H167-W179 AromaticContact CE1-CE2 3.4Å; H167-W179 VanDerWaalsContact CE1-CE2 3.4Å; H167-W179 AromaticContact CE1-CH2 3.83Å; H167-W179 AromaticContact CE1-CZ2 3.27Å; H167-W179 WeakPolarHBondContact CE1-CZ2 2.91Å; H167-W179 AromaticContact CE1-NE1 3.73Å; H167-W179 AromaticContact CG-NE1 3.7Å; H167-W179 AromaticContact ND1-CE2 3.6Å; H167-W179 AromaticContact ND1-CZ2 3.96Å; H167-W179 AromaticContact ND1-NE1 3.61Å; H167-W179 AromaticContact NE2-CE2 3.81Å; H167-W179 AromaticContact NE2-CZ2 3.56Å; H167-W179 AromaticContact NE2-NE1 3.87Å; H171-W179 WeakPolarHBondContact CB-O 3.19Å; H171-W179 PolarHBondContact ND1-O 2.84Å; E177-W179 VanDerWaalsContact O-CE3 3.32Å; W179-E181 PolarHBondContact NE1-OE2 3.42Å; W179-K208 HydrophobicContact CB-CD 4.04Å; W179-K208 HydrophobicContact CD2-CD 3.37Å; W179-K208 HydrophobicContact CE3-CD 3.34Å; W179-K208 HydrophobicContact CG-CD 3.68Å; W179-K208 VanDerWaalsContact CH2-NZ 3.32Å; W179-K208 HydrophobicContact CZ3-CD 3.98Å; W179-I282 CarbonylContact C-O 3.42Å; W179-I282 WeakPolarHBondContact CA-O 3.19Å; W179-I282 WeakPolarHBondContact CB-O 3.36Å; W179-M283 HydrophobicContact CB-CG 4.36Å | ||
| 180 | L | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135.1 | 161.9 | 164.9 | 64.1 | 0 | 0 | 0 | 108.6 | E163 H167 F169 C172 L188 I190 R281 I282 | E163-L180 HydrophobicContact CB-CD1 3.7Å; H167-L180 WeakPolarHBondContact O-CA 3.1Å; H167-L180 WeakPolarHBondContact O-CD1 3.16Å; F169-L180 HydrophobicContact CB-CD1 4.47Å; F169-L180 HydrophobicContact CD2-CD2 4.27Å; C172-L180 HydrophobicContact CB-CB 4.16Å; L180-L188 HydrophobicContact CD1-CD2 4.46Å; L180-L188 HydrophobicContact CD2-CD1 4.05Å; L180-L188 HydrophobicContact CG-CD1 4.12Å; L180-I190 HydrophobicContact CD2-CD1 3.85Å; L180-I190 HydrophobicContact CD2-CG1 4.35Å; L180-R281 CarbonylContact O-C 3.6Å; L180-R281 VanDerWaalsContact O-CA 3.29Å; L180-R281 WeakPolarHBondContact O-CA 3.33Å; L180-I282 HydrophobicContact CB-CB 4.39Å; L180-I282 HydrophobicContact CD2-CD1 4.37Å; L180-I282 PolarHBondContact N-O 3.44Å; L180-I282 PolarHBondContact O-N 2.87Å |
| 181 | E | 97.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.5 | 175.9 | -171.4 | 162.2 | -173.6 | 0 | 0 | 110.3 | K164 H167 W179 T280 R281 | K164-E181 HydrophobicContact CB-CB 4.46Å; K164-E181 PolarHBondContact N-O 3.3Å; H167-E181 HydrophobicContact CB-CB 3.65Å; H167-E181 IonicContact CD2-OE2 3.33Å; H167-E181 PolarHBondContact CD2-OE2 3.28Å; H167-E181 VanDerWaalsContact CD2-OE2 3.29Å; H167-E181 IonicContact CG-OE2 2.66Å; H167-E181 IonicContact NE2-OE2 3.84Å; H167-E181 PolarHBondContact O-N 3.21Å; H167-E181 VanDerWaalsContact O-N 3.13Å; W179-E181 PolarHBondContact NE1-OE2 3.42Å; E181-T280 WeakPolarHBondContact CA-O 3.15Å; E181-R281 HydrophobicContact CB-CG 4.32Å; E181-R281 VanDerWaalsContact CD-NE 3.3Å; E181-R281 HydrophobicContact CG-CG 3.9Å; E181-R281 IonicContact OE1-CZ 3.71Å; E181-R281 IonicContact OE1-NE 3.69Å; E181-R281 PolarHBondContact OE1-NE 3.05Å; E181-R281 IonicContact OE1-NH2 2.74Å; E181-R281 PolarHBondContact OE1-NH2 3.46Å; E181-R281 IonicContact OE2-NE 2.69Å |
| 182 | S | 97.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 148.9 | 172.5 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | N162 D185 T279 T280 | N162-S182 CarbonylContact O-C 3.52Å; N162-S182 WeakPolarHBondContact O-CA 3.39Å; S182-D185 WeakPolarHBondContact CB-O 3.47Å; S182-D185 PolarHBondContact OG-O 2.78Å; S182-T279 WeakPolarHBondContact O-CG2 3.09Å; S182-T279 VanDerWaalsContact OG-CA 3.26Å; S182-T279 WeakPolarHBondContact OG-CA 3.49Å; S182-T280 PolarHBondContact N-O 3.05Å; S182-T280 PolarHBondContact OG-N 3.33Å |
| 183 | D | 95.8 | Very high | 91.5 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 53% | 0.529 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -96.4 | -58.7 | -171.8 | -168.5 | 40.1 | 0 | 0 | 0 | 113.5 | N162 K164 | N162-D183 PolarHBondContact O-N 3.31Å; K164-D183 HydrophobicContact CB-CB 4.17Å |
| 184 | C | 92.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 46.4 Ų | 46.4 | 74% | 0.736 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -90.1 | -34.5 | -170.8 | -171.1 | 0 | 0 | 0 | 0 | 114 | N162 | N162-C184 WeakPolarHBondContact OD1-CB 3.45Å; N162-C184 PolarHBondContact OD1-N 3.24Å |
| 185 | D | 94.7 | Very high | 92 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -155.1 | -176.9 | -177.4 | 64 | 26.8 | 0 | 0 | 0 | 109.5 | N162 S182 Q187 E278 | N162-D185 PolarHBondContact ND2-O 3.27Å; N162-D185 PolarHBondContact ND2-OD1 3.11Å; S182-D185 WeakPolarHBondContact CB-O 3.47Å; S182-D185 PolarHBondContact OG-O 2.78Å; D185-Q187 PolarHBondContact O-N 3.26Å; D185-Q187 VanDerWaalsContact OD1-CB 3.3Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.31Å; D185-Q187 PolarHBondContact OD1-N 3.01Å; D185-E278 CarbonylContact C-O 3.6Å; D185-E278 WeakPolarHBondContact CA-O 3.41Å |
| 186 | E | 96.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -73.5 | -7.3 | -176.8 | 70.5 | -82.6 | -165 | 0 | 0 | 114.7 | N272 N273 E278 T280 | E186-N272 HydrophobicContact CG-CB 4.2Å; E186-N273 WeakPolarHBondContact CB-ND2 3.35Å; E186-E278 PolarHBondContact N-O 3.26Å; E186-E278 VanDerWaalsContact N-O 3.07Å; E186-T280 WeakPolarHBondContact O-CB 3.29Å; E186-T280 PolarHBondContact O-OG1 3.03Å |
| 187 | Q | 97.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 45 Ų | 45 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | trans | -83.7 | 140.4 | -172.5 | -61.9 | -175.6 | 13.4 | 0 | 0 | 111.5 | N162 D185 F228 F269 V270 | N162-Q187 PolarHBondContact ND2-O 2.94Å; D185-Q187 PolarHBondContact O-N 3.26Å; D185-Q187 VanDerWaalsContact OD1-CB 3.3Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.31Å; D185-Q187 PolarHBondContact OD1-N 3.01Å; Q187-F228 HydrophobicContact CB-CD1 4.05Å; Q187-F228 HydrophobicContact CB-CE1 3.75Å; Q187-F269 HydrophobicContact CB-CE2 4.1Å; Q187-F269 HydrophobicContact CG-CE2 4.3Å; Q187-V270 VanDerWaalsContact CA-O 3.3Å; Q187-V270 WeakPolarHBondContact CA-O 3.43Å | ||
| 188 | L | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.6 | 173.2 | -74.3 | 167.5 | 0 | 0 | 0 | 109.7 | N162 L180 F269 V270 T280 I282 | N162-L188 HydrophobicContact CB-CD2 4.5Å; N162-L188 WeakPolarHBondContact O-CD2 3.39Å; L180-L188 HydrophobicContact CD1-CD2 4.46Å; L180-L188 HydrophobicContact CD2-CD1 4.05Å; L180-L188 HydrophobicContact CG-CD1 4.12Å; L188-F269 CarbonylContact O-C 3.04Å; L188-F269 WeakPolarHBondContact O-CA 3.39Å; L188-V270 HydrophobicContact CB-CB 4.15Å; L188-V270 HydrophobicContact CB-CG2 4.26Å; L188-V270 PolarHBondContact N-O 3.09Å; L188-V270 VanDerWaalsContact N-O 3.16Å; L188-V270 PolarHBondContact O-N 3.18Å; L188-T280 HydrophobicContact CD1-CG2 4.27Å; L188-I282 HydrophobicContact CD1-CD1 4.2Å |
| 189 | L | 97.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 107.5 | 173.9 | -160.7 | 147.3 | 0 | 0 | 0 | 109.7 | C160 L161 L226 F228 A231 F268 | C160-L189 CarbonylContact C-O 3.56Å; C160-L189 WeakPolarHBondContact CA-O 3.22Å; L161-L189 HydrophobicContact CB-CB 4.05Å; L161-L189 HydrophobicContact CD1-CB 4.31Å; L161-L189 HydrophobicContact CD1-CD2 4.2Å; L161-L189 HydrophobicContact CG-CB 4.36Å; L161-L189 HydrophobicContact CG-CD2 4.49Å; L161-L189 PolarHBondContact N-O 3.32Å; L161-L189 PolarHBondContact O-N 2.86Å; L189-L226 HydrophobicContact CD1-CB 3.64Å; L189-L226 WeakPolarHBondContact CD1-O 3.31Å; L189-L226 HydrophobicContact CD2-CB 4.14Å; L189-L226 WeakPolarHBondContact CD2-O 3.49Å; L189-L226 HydrophobicContact CG-CB 4.4Å; L189-F228 HydrophobicContact CB-CE1 4.09Å; L189-F228 HydrophobicContact CB-CZ 4.23Å; L189-A231 HydrophobicContact CD1-CB 3.91Å; L189-F268 WeakPolarHBondContact CA-O 3.4Å |
| 190 | I | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.3 | -173.5 | -57.8 | 168 | 0 | 0 | 0 | 108.4 | F169 L180 I192 Q267 F268 I282 L285 | F169-I190 HydrophobicContact CD2-CG2 3.76Å; F169-I190 HydrophobicContact CE2-CG2 3.28Å; F169-I190 HydrophobicContact CZ-CG2 3.88Å; L180-I190 HydrophobicContact CD2-CD1 3.85Å; L180-I190 HydrophobicContact CD2-CG1 4.35Å; I190-I192 HydrophobicContact CG2-CD1 4.08Å; I190-I192 HydrophobicContact CG2-CG1 4.04Å; I190-Q267 CarbonylContact O-C 3.56Å; I190-Q267 WeakPolarHBondContact O-CA 3.49Å; I190-F268 HydrophobicContact CB-CB 4.31Å; I190-F268 PolarHBondContact N-O 2.96Å; I190-F268 PolarHBondContact O-N 3.26Å; I190-I282 HydrophobicContact CD1-CD1 4.25Å; I190-L285 HydrophobicContact CG2-CD2 4.34Å |
| 191 | F | 96.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 13% | 0.127 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.9 | 172.6 | 173.3 | -89.8 | 0 | 0 | 0 | 110.7 | D157 C158 E159 K193 Q267 | D157-F191 WeakPolarHBondContact O-CE1 3.33Å; C158-F191 VanDerWaalsContact CA-O 3.22Å; C158-F191 WeakPolarHBondContact CA-O 3.18Å; C158-F191 VanDerWaalsContact CB-O 3.22Å; C158-F191 WeakPolarHBondContact CB-O 3.47Å; E159-F191 HydrophobicContact CB-CB 4.22Å; E159-F191 HydrophobicContact CB-CD1 4.44Å; E159-F191 PolarHBondContact N-O 2.93Å; E159-F191 PolarHBondContact O-N 2.84Å; F191-K193 HydrophobicContact CE1-CB 3.85Å; F191-K193 HydrophobicContact CZ-CB 4.14Å; F191-Q267 HydrophobicContact CB-CG 4.1Å; F191-Q267 HydrophobicContact CD2-CG 3.48Å; F191-Q267 VanDerWaalsContact CD2-CG 3.48Å; F191-Q267 HydrophobicContact CE2-CG 4.38Å; F191-Q267 HydrophobicContact CG-CG 4.24Å |
| 192 | I | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.3 | 177.9 | -64.5 | 168 | 0 | 0 | 0 | 109.2 | M150 V153 F169 I190 F194 S265 L266 L285 I287 | M150-I192 HydrophobicContact CE-CD1 4.27Å; M150-I192 HydrophobicContact SD-CD1 4.34Å; V153-I192 HydrophobicContact CG1-CG2 4.03Å; V153-I192 HydrophobicContact CG2-CG2 3.69Å; F169-I192 HydrophobicContact CE2-CD1 4.44Å; F169-I192 HydrophobicContact CZ-CD1 4.01Å; F169-I192 HydrophobicContact CZ-CG1 3.89Å; I190-I192 HydrophobicContact CG2-CD1 4.08Å; I190-I192 HydrophobicContact CG2-CG1 4.04Å; I192-F194 HydrophobicContact CG2-CD1 4.49Å; I192-F194 HydrophobicContact CG2-CE1 4.09Å; I192-F194 HydrophobicContact CG2-CZ 4.16Å; I192-S265 CarbonylContact O-C 3.6Å; I192-S265 VanDerWaalsContact O-CA 3.29Å; I192-S265 WeakPolarHBondContact O-CA 3.43Å; I192-L266 PolarHBondContact N-O 3.18Å; I192-L266 PolarHBondContact O-N 2.87Å; I192-L285 HydrophobicContact CD1-CD2 3.72Å; I192-I287 HydrophobicContact CD1-CD1 3.64Å |
| 193 | K | 92.9 | Very high | 93.7 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 45% | 0.448 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.6 | 173.5 | -172.7 | 176.4 | 178.2 | -173.7 | 0 | 110.4 | D157 F191 | D157-K193 HydrophobicContact CB-CB 4.14Å; D157-K193 HydrophobicContact CB-CD 4.25Å; D157-K193 VanDerWaalsContact O-CB 3.31Å; D157-K193 WeakPolarHBondContact O-CB 3.44Å; F191-K193 HydrophobicContact CE1-CB 3.85Å; F191-K193 HydrophobicContact CZ-CB 4.14Å |
| 194 | F | 90 | Very high | 93.7 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.9 | 174.2 | -58.8 | -71.5 | 0 | 0 | 0 | 110.4 | L149 V153 I192 E196 L200 V263 H264 L266 I287 | L149-F194 HydrophobicContact CB-CD1 4.43Å; L149-F194 HydrophobicContact CB-CE1 3.87Å; L149-F194 HydrophobicContact CD1-CE1 4.25Å; L149-F194 HydrophobicContact CD1-CZ 4.46Å; V153-F194 HydrophobicContact CG2-CD1 3.99Å; V153-F194 HydrophobicContact CG2-CE1 3.97Å; I192-F194 HydrophobicContact CG2-CD1 4.49Å; I192-F194 HydrophobicContact CG2-CE1 4.09Å; I192-F194 HydrophobicContact CG2-CZ 4.16Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 WeakPolarHBondContact CB-O 3.34Å; F194-L200 HydrophobicContact CE2-CD2 4.18Å; F194-L200 HydrophobicContact CZ-CD2 4.08Å; F194-V263 HydrophobicContact CD2-CG1 4.14Å; F194-V263 HydrophobicContact CE2-CG1 3.9Å; F194-H264 PolarHBondContact N-O 3.35Å; F194-L266 HydrophobicContact CE2-CB 4Å; F194-L266 HydrophobicContact CZ-CB 4.49Å; F194-L266 HydrophobicContact CZ-CD2 4.46Å; F194-I287 HydrophobicContact CE1-CD1 4.46Å; F194-I287 HydrophobicContact CZ-CD1 4.02Å; F194-I287 HydrophobicContact CZ-CG2 4.17Å |
| 195 | Q | 81.7 | Confident | 93.8 | Very high | 96 Ų | 96 | 31.9 Ų | 31.9 | 45% | 0.449 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -33.8 | 176 | -65.7 | -171.5 | -27.5 | 0 | 0 | 112 | R73 | R73-Q195 VanDerWaalsContact CZ-OE1 3.28Å |
| 196 | E | 82.4 | Confident | 93.8 | Very high | 56 Ų | 56 | 32.2 Ų | 32.2 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148 | 174.1 | -66.3 | 173.3 | -174.8 | 0 | 0 | 107.7 | P66 R70 F194 | P66-E196 WeakPolarHBondContact CB-OE1 3.37Å; R70-E196 IonicContact CZ-OE2 2.62Å; R70-E196 IonicContact NE-OE2 3.76Å; R70-E196 IonicContact NH1-OE1 2.99Å; R70-E196 IonicContact NH1-OE2 2.96Å; R70-E196 PolarHBondContact NH1-OE2 3.03Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 WeakPolarHBondContact CB-O 3.34Å |
| 197 | M | 89.1 | Confident | 93.7 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 13% | 0.128 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 145.6 | 171.7 | 179.9 | -167.1 | -79.2 | 0 | 0 | 108.8 | S262 V263 H264 P291 V292 I294 | M197-S262 VanDerWaalsContact SD-CA 3.57Å; M197-S262 WeakPolarHBondContact SD-CB 3.43Å; M197-V263 CarbonylContact C-O 3.54Å; M197-V263 WeakPolarHBondContact CA-O 3.12Å; M197-H264 WeakPolarHBondContact CE-CE1 3.43Å; M197-H264 WeakPolarHBondContact CE-NE2 3.29Å; M197-P291 CarbonylContact O-C 3.52Å; M197-V292 HydrophobicContact CB-CB 4.04Å; M197-V292 HydrophobicContact CG-CB 3.97Å; M197-V292 HydrophobicContact CG-CG2 4.16Å; M197-V292 WeakPolarHBondContact O-CA 3.16Å; M197-V292 PolarHBondContact O-N 3.01Å; M197-V292 HydrophobicContact SD-CB 3.91Å; M197-V292 HydrophobicContact SD-CG1 3.8Å; M197-V292 HydrophobicContact SD-CG2 4.18Å; M197-I294 HydrophobicContact CB-CD1 3.86Å; M197-I294 HydrophobicContact CB-CG1 4.19Å; M197-I294 HydrophobicContact CE-CD1 3.75Å; M197-I294 HydrophobicContact CE-CG1 4.31Å; M197-I294 HydrophobicContact SD-CD1 4.22Å; M197-I294 HydrophobicContact SD-CG1 4.25Å |
| 198 | A | 92.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L149 L200 V263 T290 | L149-A198 HydrophobicContact CD1-CB 3.63Å; L149-A198 HydrophobicContact CD2-CB 4.42Å; A198-L200 HydrophobicContact CB-CD2 4.15Å; A198-V263 PolarHBondContact N-O 3.2Å; A198-V263 PolarHBondContact O-N 2.81Å; A198-T290 CarbonylContact C-O 3.6Å; A198-T290 WeakPolarHBondContact CA-O 3.28Å |
| 199 | K | 94.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.8 | 160.8 | -61.6 | -176.5 | 178.8 | -158.3 | 0 | 108 | Y260 Q261 G289 T290 V292 | K199-Y260 CarbonylContact C-O 3.5Å; K199-Y260 WeakPolarHBondContact CA-O 3.44Å; K199-Q261 WeakPolarHBondContact CG-O 3.08Å; K199-G289 CarbonylContact O-C 3.51Å; K199-G289 WeakPolarHBondContact O-CA 3.46Å; K199-T290 PolarHBondContact N-O 3.02Å; K199-T290 PolarHBondContact O-N 2.81Å; K199-V292 HydrophobicContact CD-CG2 4.27Å; K199-V292 HydrophobicContact CG-CG2 3.51Å |
| 200 | L | 96 | Very high | 93.1 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135.6 | 177.2 | -50.6 | -173.4 | 0 | 0 | 0 | 110 | L149 F194 A198 V255 Y260 V263 L266 I287 | L149-L200 HydrophobicContact CD1-CD2 3.38Å; F194-L200 HydrophobicContact CE2-CD2 4.18Å; F194-L200 HydrophobicContact CZ-CD2 4.08Å; A198-L200 HydrophobicContact CB-CD2 4.15Å; L200-V255 HydrophobicContact CB-CG2 4.26Å; L200-Y260 HydrophobicContact CB-CD1 4.26Å; L200-Y260 HydrophobicContact CB-CG 4.16Å; L200-Y260 HydrophobicContact CD1-CD1 3.86Å; L200-Y260 HydrophobicContact CD1-CE1 4.48Å; L200-Y260 HydrophobicContact CG-CD1 4.33Å; L200-Y260 PolarHBondContact N-O 3.36Å; L200-V263 HydrophobicContact CD1-CB 4.38Å; L200-V263 HydrophobicContact CD1-CG1 4.14Å; L200-V263 HydrophobicContact CD1-CG2 4.08Å; L200-V263 HydrophobicContact CG-CB 4.2Å; L200-V263 HydrophobicContact CG-CG1 4.47Å; L200-V263 HydrophobicContact CG-CG2 3.87Å; L200-L266 HydrophobicContact CD1-CD1 3.84Å; L200-L266 HydrophobicContact CD1-CD2 3.86Å; L200-L266 HydrophobicContact CD1-CG 4.39Å; L200-I287 HydrophobicContact CD1-CG2 4.46Å; L200-I287 HydrophobicContact CD2-CG2 3.78Å |
| 201 | H | 95.4 | Very high | 93 | Very high | 64 Ų | 64 | 38 Ų | 38 | 30% | 0.296 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -46.3 | 177.4 | 178 | -79.1 | 0 | 0 | 0 | 110.8 | Q146 V255 Y288 | Q146-H201 HydrophobicContact CG-CB 3.91Å; H201-V255 WeakPolarHBondContact O-CG2 3.33Å; H201-V255 PolarHBondContact O-N 3.29Å; H201-V255 VanDerWaalsContact O-N 3.08Å; H201-Y288 PolarHBondContact N-O 3.23Å |
| 202 | S | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 167.7 | -177.3 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | V252 I253 Y288 | S202-V252 VanDerWaalsContact OG-CG1 3.28Å; S202-V252 WeakPolarHBondContact OG-CG1 3.31Å; S202-I253 CarbonylContact C-O 3.56Å; S202-I253 WeakPolarHBondContact CA-O 3.45Å; S202-I253 WeakPolarHBondContact CB-O 3.31Å; S202-Y288 PolarHBondContact N-O 3.36Å; S202-Y288 VanDerWaalsContact N-O 3.16Å; S202-Y288 PolarHBondContact O-N 3.32Å |
| 203 | F | 96.2 | Very high | 93 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 167.5 | 171.1 | 71.5 | -83.5 | 0 | 0 | 0 | 110 | M205 F240 I253 V255 F268 G286 | F203-M205 HydrophobicContact CD2-CG 4.08Å; F203-M205 HydrophobicContact CD2-SD 4.29Å; F203-M205 HydrophobicContact CE2-CG 4.25Å; F203-M205 HydrophobicContact CE2-SD 4.05Å; F203-F240 HydrophobicContact CE1-CD1 4.15Å; F203-F240 AromaticContact CE1-CD2 3.67Å; F203-F240 HydrophobicContact CE1-CD2 3.67Å; F203-F240 HydrophobicContact CE1-CE1 4.04Å; F203-F240 AromaticContact CE1-CE2 3.55Å; F203-F240 HydrophobicContact CE1-CE2 3.55Å; F203-F240 AromaticContact CE1-CG 3.96Å; F203-F240 HydrophobicContact CE1-CG 3.96Å; F203-F240 AromaticContact CE1-CZ 3.73Å; F203-F240 HydrophobicContact CE1-CZ 3.73Å; F203-F240 HydrophobicContact CZ-CB 4.2Å; F203-F240 HydrophobicContact CZ-CD1 4.28Å; F203-F240 AromaticContact CZ-CD2 3.68Å; F203-F240 HydrophobicContact CZ-CD2 3.68Å; F203-F240 HydrophobicContact CZ-CE2 4.08Å; F203-F240 AromaticContact CZ-CG 3.79Å; F203-F240 HydrophobicContact CZ-CG 3.79Å; F203-I253 HydrophobicContact CD1-CB 4.31Å; F203-I253 HydrophobicContact CD1-CG2 4.45Å; F203-I253 HydrophobicContact CD2-CD1 4.29Å; F203-I253 HydrophobicContact CE1-CB 3.86Å; F203-I253 HydrophobicContact CE1-CG2 3.63Å; F203-I253 HydrophobicContact CE2-CB 4.31Å; F203-I253 HydrophobicContact CE2-CD1 3.68Å; F203-I253 HydrophobicContact CZ-CB 3.87Å; F203-I253 HydrophobicContact CZ-CD1 3.92Å; F203-I253 HydrophobicContact CZ-CG1 4.45Å; F203-I253 HydrophobicContact CZ-CG2 3.75Å; F203-I253 PolarHBondContact N-O 3.21Å; F203-I253 PolarHBondContact O-N 3.11Å; F203-V255 HydrophobicContact CD1-CG1 3.7Å; F203-V255 HydrophobicContact CE1-CG1 4.06Å; F203-F268 HydrophobicContact CB-CZ 4.09Å; F203-F268 HydrophobicContact CD1-CE1 4.42Å; F203-F268 HydrophobicContact CD2-CE1 4Å; F203-F268 HydrophobicContact CD2-CZ 4.17Å; F203-F268 HydrophobicContact CE2-CE1 4.26Å; F203-F268 HydrophobicContact CG-CE1 4.09Å; F203-F268 HydrophobicContact CG-CZ 4.05Å; F203-G286 CarbonylContact C-O 3.59Å; F203-G286 WeakPolarHBondContact CA-O 3.48Å; F203-G286 WeakPolarHBondContact CB-O 3.27Å |
| 204 | R | 94.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 34.8 Ų | 34.8 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 135.3 | 177.4 | 173.7 | -175.1 | -166.3 | -159.5 | 4.4 | 108.1 | D249 G250 E284 L285 G286 Y288 | R204-D249 PolarHBondContact NH2-O 2.86Å; R204-G250 VanDerWaalsContact CD-O 3.31Å; R204-G250 WeakPolarHBondContact CD-O 3.47Å; R204-G250 WeakPolarHBondContact CG-O 3.09Å; R204-G250 PolarHBondContact NE-O 2.87Å; R204-E284 IonicContact CZ-OE1 3.06Å; R204-E284 IonicContact CZ-OE2 2.74Å; R204-E284 IonicContact NH1-OE1 3.26Å; R204-E284 PolarHBondContact NH1-OE1 3.39Å; R204-E284 IonicContact NH1-OE2 3.63Å; R204-E284 PolarHBondContact NH1-OE2 3.28Å; R204-E284 IonicContact NH2-OE2 3.5Å; R204-L285 WeakPolarHBondContact O-CA 3.47Å; R204-G286 PolarHBondContact N-O 3.21Å; R204-G286 PolarHBondContact O-N 3.03Å; R204-Y288 HydrophobicContact CB-CE2 3.82Å |
| 205 | M | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 96.8 | 174.3 | -78.7 | 178.9 | 168.7 | 0 | 0 | 109 | F203 P213 V216 L242 F268 E284 L285 | F203-M205 HydrophobicContact CD2-CG 4.08Å; F203-M205 HydrophobicContact CD2-SD 4.29Å; F203-M205 HydrophobicContact CE2-CG 4.25Å; F203-M205 HydrophobicContact CE2-SD 4.05Å; M205-P213 HydrophobicContact CB-CG 3.87Å; M205-P213 HydrophobicContact SD-CG 4.33Å; M205-V216 HydrophobicContact CE-CG1 4.22Å; M205-V216 HydrophobicContact SD-CG1 4.03Å; M205-V216 HydrophobicContact SD-CG2 4.03Å; M205-L242 HydrophobicContact CB-CD1 4.29Å; M205-F268 HydrophobicContact CE-CB 3.7Å; M205-F268 HydrophobicContact CE-CD1 3.3Å; M205-F268 HydrophobicContact CE-CD2 3.58Å; M205-F268 HydrophobicContact CE-CE1 3.67Å; M205-F268 HydrophobicContact CE-CE2 3.9Å; M205-F268 HydrophobicContact CE-CG 3.25Å; M205-F268 HydrophobicContact CE-CZ 3.95Å; M205-F268 HydrophobicContact SD-CD1 4.48Å; M205-E284 WeakPolarHBondContact CA-O 3.16Å; M205-L285 HydrophobicContact CE-CD1 3.49Å; M205-L285 VanDerWaalsContact CE-CD1 3.49Å; M205-L285 HydrophobicContact CG-CD1 3.53Å; M205-L285 HydrophobicContact SD-CD1 4.4Å |
| 206 | K | 95 | Very high | 94.4 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 27% | 0.27 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.1 | 178 | -169.9 | 175 | 177.4 | 172.2 | 0 | 109.8 | A247 E248 I282 M283 E284 | K206-A247 CarbonylContact C-O 3.5Å; K206-A247 WeakPolarHBondContact CA-O 3.37Å; K206-E248 WeakPolarHBondContact CE-O 3.37Å; K206-E248 WeakPolarHBondContact CG-O 3.47Å; K206-I282 CarbonylContact O-C 3.54Å; K206-I282 WeakPolarHBondContact O-CA 3.34Å; K206-M283 PolarHBondContact O-N 2.86Å; K206-E284 HydrophobicContact CB-CB 3.95Å; K206-E284 PolarHBondContact N-O 2.99Å; K206-E284 PolarHBondContact O-N 3.06Å |
| 207 | G | 94.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A247 R281 | G207-A247 PolarHBondContact N-O 3.3Å; G207-R281 VanDerWaalsContact CA-O 3.26Å; G207-R281 WeakPolarHBondContact CA-O 3.23Å |
| 208 | K | 93.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 15% | 0.148 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -124.2 | 143.1 | 173 | -159.1 | 175 | 166.7 | -98.8 | 0 | 110.9 | W179 G210 M211 R281 M283 | W179-K208 HydrophobicContact CB-CD 4.04Å; W179-K208 HydrophobicContact CD2-CD 3.37Å; W179-K208 HydrophobicContact CE3-CD 3.34Å; W179-K208 HydrophobicContact CG-CD 3.68Å; W179-K208 VanDerWaalsContact CH2-NZ 3.32Å; W179-K208 HydrophobicContact CZ3-CD 3.98Å; K208-G210 PolarHBondContact O-N 2.99Å; K208-G210 VanDerWaalsContact O-N 3.08Å; K208-M211 PolarHBondContact O-N 3.16Å; K208-R281 HydrophobicContact CB-CB 3.79Å; K208-R281 PolarHBondContact N-O 3.34Å; K208-M283 HydrophobicContact CB-CG 3.56Å; K208-M283 HydrophobicContact CB-SD 4.07Å; K208-M283 HydrophobicContact CD-CG 3.99Å; K208-M283 HydrophobicContact CD-SD 4.25Å; K208-M283 HydrophobicContact CG-CG 3.75Å; K208-M283 HydrophobicContact CG-SD 3.75Å |
| 209 | D | 92.3 | Very high | 95.8 | Very high | 105 Ų | 105 | 29.5 Ų | 29.5 | 56% | 0.561 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 29.5 | 169.5 | -51.6 | -36.7 | 0 | 0 | 0 | 114.3 | M211 R281 | D209-M211 PolarHBondContact O-N 2.94Å; D209-R281 IonicContact OD2-NH1 3.29Å; D209-R281 PolarHBondContact OD2-NH1 2.83Å |
| 210 | G | 91.9 | Very high | 96 | Very high | 41 Ų | 41 | 26.8 Ų | 26.8 | 42% | 0.423 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -3.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K208 G212 Q274 | K208-G210 PolarHBondContact O-N 2.99Å; K208-G210 VanDerWaalsContact O-N 3.08Å; G210-G212 PolarHBondContact O-N 2.91Å; G210-Q274 WeakPolarHBondContact O-CB 3.41Å |
| 211 | M | 95.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 15% | 0.153 | 16% | 0.156 | C | C | . | . | trans | -91.2 | 27.3 | 178.8 | -54.7 | 174.6 | 86.3 | 0 | 0 | 111.9 | K208 D209 S277 T279 T280 R281 | K208-M211 PolarHBondContact O-N 3.16Å; D209-M211 PolarHBondContact O-N 2.94Å; M211-S277 WeakPolarHBondContact CE-OG 3.24Å; M211-T279 WeakPolarHBondContact CE-O 3.36Å; M211-T279 WeakPolarHBondContact CE-OG1 3.13Å; M211-T280 WeakPolarHBondContact O-CA 3Å; M211-R281 HydrophobicContact CB-CB 4.34Å; M211-R281 HydrophobicContact CB-CG 4.34Å; M211-R281 PolarHBondContact O-N 2.98Å; M211-R281 VanDerWaalsContact SD-CZ 3.54Å | ||
| 212 | G | 95.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | trans | -72.1 | 165.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G210 N273 Q274 | G210-G212 PolarHBondContact O-N 2.91Å; G212-N273 CarbonylContact O-C 3.54Å; G212-N273 WeakPolarHBondContact O-CA 3.3Å; G212-N273 WeakPolarHBondContact O-CB 3.29Å; G212-Q274 WeakPolarHBondContact O-CG 3.28Å; G212-Q274 PolarHBondContact O-N 2.91Å | ||
| 213 | P | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 145.3 | 179.4 | 25.7 | -31.3 | 0 | 0 | 0 | 112 | M205 V216 L242 V270 Q274 T280 I282 | M205-P213 HydrophobicContact CB-CG 3.87Å; M205-P213 HydrophobicContact SD-CG 4.33Å; P213-V216 HydrophobicContact CB-CG2 3.8Å; P213-L242 HydrophobicContact CB-CD1 4.45Å; P213-L242 HydrophobicContact CG-CD1 4.07Å; P213-V270 HydrophobicContact CB-CG1 3.73Å; P213-V270 HydrophobicContact CB-CG2 4.32Å; P213-Q274 PolarHBondContact O-NE2 3.46Å; P213-T280 HydrophobicContact CB-CG2 4.48Å; P213-I282 HydrophobicContact CG-CD1 4.46Å; P213-I282 HydrophobicContact CG-CG1 4.35Å |
| 214 | K | 97.7 | Very high | 95.2 | Very high | 63 Ų | 63 | 39.6 Ų | 39.6 | 27% | 0.274 | 21% | 0.212 | S | C | . | . | trans | -116.2 | -67.8 | 176.6 | 179.6 | -179.2 | -173.2 | 172 | 0 | 111.5 | T241 L242 N272 N273 Q274 D276 | K214-T241 CarbonylContact O-C 3.54Å; K214-T241 WeakPolarHBondContact O-CA 3.44Å; K214-L242 PolarHBondContact O-N 3.46Å; K214-N272 WeakPolarHBondContact CB-OD1 3.44Å; K214-N272 PolarHBondContact N-O 2.96Å; K214-N273 WeakPolarHBondContact CB-O 3.28Å; K214-N273 WeakPolarHBondContact CD-O 3.36Å; K214-Q274 HydrophobicContact CB-CG 4.44Å; K214-D276 IonicContact NZ-OD1 2.58Å | ||
| 215 | L | 97.8 | Very high | 95 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.8 | 175 | -178.5 | 62.7 | 0 | 0 | 0 | 110.3 | V271 N272 | L215-V271 HydrophobicContact CB-CB 4.14Å; L215-V271 HydrophobicContact CD2-CB 4.02Å; L215-V271 HydrophobicContact CD2-CG1 4.15Å; L215-V271 HydrophobicContact CD2-CG2 4.08Å; L215-V271 HydrophobicContact CG-CB 4.09Å; L215-V271 HydrophobicContact CG-CG2 4Å; L215-V271 PolarHBondContact O-N 2.78Å; L215-N272 VanDerWaalsContact CB-OD1 3.23Å; L215-N272 WeakPolarHBondContact CB-OD1 3.36Å; L215-N272 PolarHBondContact N-OD1 3.37Å |
| 216 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.5 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | M205 P213 S239 F240 L242 F268 F269 V270 | M205-V216 HydrophobicContact CE-CG1 4.22Å; M205-V216 HydrophobicContact SD-CG1 4.03Å; M205-V216 HydrophobicContact SD-CG2 4.03Å; P213-V216 HydrophobicContact CB-CG2 3.8Å; V216-S239 WeakPolarHBondContact O-CA 3.4Å; V216-F240 PolarHBondContact N-O 3.09Å; V216-F240 PolarHBondContact O-N 2.95Å; V216-L242 HydrophobicContact CG2-CD1 4.28Å; V216-L242 HydrophobicContact CG2-CG 4.49Å; V216-F268 HydrophobicContact CG1-CB 4.36Å; V216-F268 HydrophobicContact CG1-CD1 3.71Å; V216-F268 HydrophobicContact CG1-CG 4.5Å; V216-F269 WeakPolarHBondContact CA-O 3.4Å; V216-V270 HydrophobicContact CG2-CG2 4.39Å |
| 217 | K | 98.2 | Very high | 95 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 15% | 0.148 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137.7 | 172.8 | -68.3 | -172.6 | -171.2 | 176.3 | 0 | 110.1 | F219 P236 F268 F269 V271 | K217-F219 HydrophobicContact CB-CE2 3.77Å; K217-F219 HydrophobicContact CB-CZ 4.22Å; K217-F219 HydrophobicContact CD-CZ 4.39Å; K217-P236 HydrophobicContact CB-CB 3.94Å; K217-P236 HydrophobicContact CB-CG 4.35Å; K217-P236 HydrophobicContact CD-CB 4.39Å; K217-P236 HydrophobicContact CD-CG 4.13Å; K217-P236 HydrophobicContact CG-CB 4.29Å; K217-P236 HydrophobicContact CG-CG 4.16Å; K217-F268 WeakPolarHBondContact O-CA 3.38Å; K217-F269 HydrophobicContact CB-CB 4.27Å; K217-F269 HydrophobicContact CB-CD1 4.38Å; K217-F269 HydrophobicContact CD-CD1 4.12Å; K217-F269 PolarHBondContact N-O 2.92Å; K217-F269 PolarHBondContact O-N 3.11Å; K217-V271 HydrophobicContact CD-CG2 4.34Å; K217-V271 HydrophobicContact CG-CG2 4.16Å |
| 218 | V | 98.1 | Very high | 95 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.8 | -177.1 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | P236 T237 E238 F240 Y260 L266 Q267 F268 | V218-P236 CarbonylContact O-C 3.57Å; V218-P236 WeakPolarHBondContact O-CB 3.36Å; V218-T237 WeakPolarHBondContact O-CA 3.5Å; V218-T237 WeakPolarHBondContact O-CB 3.48Å; V218-T237 PolarHBondContact O-N 2.86Å; V218-E238 PolarHBondContact N-O 3.15Å; V218-E238 PolarHBondContact O-N 3.19Å; V218-F240 HydrophobicContact CB-CE2 4.38Å; V218-F240 HydrophobicContact CG2-CD2 3.77Å; V218-F240 HydrophobicContact CG2-CE2 3.63Å; V218-Y260 HydrophobicContact CG1-CE1 4.03Å; V218-L266 HydrophobicContact CG1-CD1 3.38Å; V218-L266 HydrophobicContact CG1-CG 4.43Å; V218-Q267 WeakPolarHBondContact CA-O 3.38Å; V218-F268 HydrophobicContact CG1-CE1 4.33Å; V218-F268 HydrophobicContact CG2-CD1 3.66Å; V218-F268 HydrophobicContact CG2-CE1 3.6Å |
| 219 | F | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.1 | 176.3 | -52.2 | -101.4 | 0 | 0 | 0 | 109.9 | K217 L222 L226 L234 P236 L266 Q267 F269 | K217-F219 HydrophobicContact CB-CE2 3.77Å; K217-F219 HydrophobicContact CB-CZ 4.22Å; K217-F219 HydrophobicContact CD-CZ 4.39Å; F219-L222 HydrophobicContact CB-CD1 3.72Å; F219-L222 HydrophobicContact CB-CG 4.22Å; F219-L222 HydrophobicContact CD1-CD1 4.16Å; F219-L222 HydrophobicContact CG-CD1 4.15Å; F219-L226 HydrophobicContact CB-CD1 4.11Å; F219-L226 HydrophobicContact CD1-CD1 3.99Å; F219-L226 HydrophobicContact CD2-CD1 3.44Å; F219-L226 VanDerWaalsContact CD2-CD1 3.44Å; F219-L226 HydrophobicContact CE1-CD1 4.24Å; F219-L226 HydrophobicContact CE2-CD1 3.73Å; F219-L226 HydrophobicContact CG-CD1 3.59Å; F219-L226 HydrophobicContact CZ-CD1 4.12Å; F219-L234 HydrophobicContact CE1-CB 3.92Å; F219-P236 HydrophobicContact CD1-CB 4.34Å; F219-P236 VanDerWaalsContact CE1-CA 3.45Å; F219-P236 HydrophobicContact CE1-CB 3.91Å; F219-P236 HydrophobicContact CE2-CB 4.28Å; F219-P236 HydrophobicContact CZ-CB 3.87Å; F219-L266 CarbonylContact O-C 3.53Å; F219-L266 WeakPolarHBondContact O-CA 3.32Å; F219-Q267 HydrophobicContact CB-CB 4.27Å; F219-Q267 PolarHBondContact N-O 2.97Å; F219-Q267 PolarHBondContact O-N 3.39Å; F219-F269 HydrophobicContact CE2-CB 4.1Å |
| 220 | I | 97.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.3 | 175.9 | 59.5 | 174.2 | 0 | 0 | 0 | 111.9 | L222 T237 K259 Y260 V263 S265 L266 | I220-L222 PolarHBondContact O-N 3.25Å; I220-T237 HydrophobicContact CD1-CG2 4.12Å; I220-T237 HydrophobicContact CG1-CG2 4.07Å; I220-T237 PolarHBondContact N-OG1 3.1Å; I220-K259 VanDerWaalsContact CD1-O 3.28Å; I220-K259 WeakPolarHBondContact CD1-O 3.39Å; I220-Y260 HydrophobicContact CD1-CD1 4.11Å; I220-Y260 HydrophobicContact CD1-CE1 4.43Å; I220-Y260 HydrophobicContact CG2-CD1 3.71Å; I220-Y260 HydrophobicContact CG2-CE1 3.58Å; I220-V263 HydrophobicContact CB-CG1 4.21Å; I220-V263 HydrophobicContact CD1-CG2 4.17Å; I220-V263 HydrophobicContact CG2-CG1 3.83Å; I220-V263 HydrophobicContact CG2-CG2 4.1Å; I220-S265 VanDerWaalsContact CA-O 3.32Å; I220-S265 WeakPolarHBondContact CA-O 3.43Å; I220-L266 HydrophobicContact CG2-CD1 3.49Å; I220-L266 VanDerWaalsContact CG2-CD1 3.49Å |
| 221 | N | 95 | Very high | 95.4 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 51.9 | 33.6 | 167.1 | -56.9 | -29.2 | 0 | 0 | 0 | 115.1 | S262 H264 S265 | N221-S262 PolarHBondContact ND2-O 3.09Å; N221-H264 PolarHBondContact OD1-N 2.9Å; N221-S265 WeakPolarHBondContact CA-OG 3.35Å; N221-S265 PolarHBondContact N-O 3.3Å; N221-S265 PolarHBondContact N-OG 2.92Å; N221-S265 PolarHBondContact OD1-N 2.97Å |
| 222 | L | 95 | Very high | 95.3 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | trans | -71 | 145 | 174 | -64.7 | -179.4 | 0 | 0 | 0 | 110.5 | F219 I220 H224 L226 | F219-L222 HydrophobicContact CB-CD1 3.72Å; F219-L222 HydrophobicContact CB-CG 4.22Å; F219-L222 HydrophobicContact CD1-CD1 4.16Å; F219-L222 HydrophobicContact CG-CD1 4.15Å; I220-L222 PolarHBondContact O-N 3.25Å; L222-H224 PolarHBondContact O-N 3.22Å; L222-L226 HydrophobicContact CD1-CD1 3.61Å; L222-L226 HydrophobicContact CD1-CD2 3.62Å; L222-L226 HydrophobicContact CD1-CG 3.51Å | ||
| 223 | P | 89.8 | Confident | 95.3 | Very high | 105 Ų | 105 | 53.8 Ų | 53.8 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67.3 | -22 | -177.8 | 26.6 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 224 | H | 89.1 | Confident | 95.2 | Very high | 127 Ų | 127 | 57 Ų | 57 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -138.9 | 150.7 | -178.6 | -54.2 | -56.8 | 0 | 0 | 0 | 109.2 | L222 | L222-H224 PolarHBondContact O-N 3.22Š|
| 225 | C | 90.3 | Very high | 95.1 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 31% | 0.311 | 31% | 0.313 | S | S | . | . | trans | -53.6 | 143.4 | 166.5 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | E159 R230 | E159-C225 PolarHBondContact OE2-SG 2.8Å; E159-C225 VanDerWaalsContact OE2-SG 3.33Å; C225-R230 PolarHBondContact O-NH1 3.21Å | ||
| 226 | L | 93.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | trans | -78.9 | 148.4 | 174.3 | -71.5 | 170.8 | 0 | 0 | 0 | 109.7 | L189 F219 L222 R230 A231 L234 Q267 | L189-L226 HydrophobicContact CD1-CB 3.64Å; L189-L226 WeakPolarHBondContact CD1-O 3.31Å; L189-L226 HydrophobicContact CD2-CB 4.14Å; L189-L226 WeakPolarHBondContact CD2-O 3.49Å; L189-L226 HydrophobicContact CG-CB 4.4Å; F219-L226 HydrophobicContact CB-CD1 4.11Å; F219-L226 HydrophobicContact CD1-CD1 3.99Å; F219-L226 HydrophobicContact CD2-CD1 3.44Å; F219-L226 VanDerWaalsContact CD2-CD1 3.44Å; F219-L226 HydrophobicContact CE1-CD1 4.24Å; F219-L226 HydrophobicContact CE2-CD1 3.73Å; F219-L226 HydrophobicContact CG-CD1 3.59Å; F219-L226 HydrophobicContact CZ-CD1 4.12Å; L222-L226 HydrophobicContact CD1-CD1 3.61Å; L222-L226 HydrophobicContact CD1-CD2 3.62Å; L222-L226 HydrophobicContact CD1-CG 3.51Å; L226-R230 HydrophobicContact CD2-CB 3.91Å; L226-A231 HydrophobicContact CB-CB 4.42Å; L226-A231 HydrophobicContact CD1-CB 4.31Å; L226-L234 HydrophobicContact CD2-CD1 3.46Å; L226-L234 VanDerWaalsContact CD2-CD1 3.46Å; L226-Q267 VanDerWaalsContact CB-OE1 3.26Å; L226-Q267 HydrophobicContact CD1-CB 4.38Å | ||
| 227 | D | 95 | Very high | 95.1 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | trans | -104.2 | 168.9 | 159.2 | 53.6 | 51.5 | 0 | 0 | 0 | 108.4 | D229 R230 A231 | D227-D229 VanDerWaalsContact C-N 3.32Å; D227-D229 PolarHBondContact O-N 2.92Å; D227-D229 PolarHBondContact OD1-N 3.28Å; D227-R230 PolarHBondContact O-N 2.62Å; D227-R230 WeakPolarHBondContact OD1-CB 3.39Å; D227-R230 WeakPolarHBondContact OD1-CG 3.42Å; D227-R230 PolarHBondContact OD1-N 2.96Å; D227-R230 VanDerWaalsContact OD2-CD 3.25Å; D227-R230 WeakPolarHBondContact OD2-CD 3.21Å; D227-A231 VanDerWaalsContact O-CB 3.31Å; D227-A231 WeakPolarHBondContact O-CB 3.35Å; D227-A231 PolarHBondContact O-N 3.24Å | ||
| 228 | F | 95.4 | Very high | 95 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | -177.9 | -65.5 | -76.1 | 0 | 0 | 0 | 112.7 | L161 N162 Q187 L189 R230 A231 L232 F269 | L161-F228 HydrophobicContact CB-CE2 3.89Å; L161-F228 HydrophobicContact CB-CZ 3.87Å; L161-F228 HydrophobicContact CD1-CE2 4.45Å; N162-F228 HydrophobicContact CB-CE2 4.26Å; N162-F228 HydrophobicContact CB-CZ 3.66Å; Q187-F228 HydrophobicContact CB-CD1 4.05Å; Q187-F228 HydrophobicContact CB-CE1 3.75Å; L189-F228 HydrophobicContact CB-CE1 4.09Å; L189-F228 HydrophobicContact CB-CZ 4.23Å; F228-R230 PolarHBondContact O-N 2.99Å; F228-A231 PolarHBondContact O-N 3.07Å; F228-L232 WeakPolarHBondContact O-CG 3.22Å; F228-L232 PolarHBondContact O-N 3.17Å; F228-F269 HydrophobicContact CD1-CD2 4.39Å; F228-F269 AromaticContact CD1-CE2 3.75Å; F228-F269 HydrophobicContact CD1-CE2 3.75Å; F228-F269 HydrophobicContact CE1-CE2 4.19Å |
| 229 | D | 95 | Very high | 95 | Very high | 105 Ų | 105 | 65.5 Ų | 65.5 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 178.5 | -87.3 | -41.5 | 0 | 0 | 0 | 112.6 | D227 K233 | D227-D229 VanDerWaalsContact C-N 3.32Å; D227-D229 PolarHBondContact O-N 2.92Å; D227-D229 PolarHBondContact OD1-N 3.28Å; D229-K233 WeakPolarHBondContact O-CD 3.47Å; D229-K233 WeakPolarHBondContact O-CG 3.44Å; D229-K233 PolarHBondContact O-N 3.05Å |
| 230 | R | 95.5 | Very high | 95 | Very high | 81 Ų | 81 | 66.3 Ų | 66.3 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 177.8 | -70.2 | 175.1 | 69 | -148.3 | -5.1 | 110.9 | C225 L226 D227 F228 L232 K233 L234 | C225-R230 PolarHBondContact O-NH1 3.21Å; L226-R230 HydrophobicContact CD2-CB 3.91Å; D227-R230 PolarHBondContact O-N 2.62Å; D227-R230 WeakPolarHBondContact OD1-CB 3.39Å; D227-R230 WeakPolarHBondContact OD1-CG 3.42Å; D227-R230 PolarHBondContact OD1-N 2.96Å; D227-R230 VanDerWaalsContact OD2-CD 3.25Å; D227-R230 WeakPolarHBondContact OD2-CD 3.21Å; F228-R230 PolarHBondContact O-N 2.99Å; R230-L232 PolarHBondContact O-N 2.94Å; R230-K233 PolarHBondContact O-N 2.87Å; R230-L234 HydrophobicContact CB-CD1 4.03Å; R230-L234 VanDerWaalsContact O-CB 3.29Å; R230-L234 WeakPolarHBondContact O-CB 3.12Å; R230-L234 VanDerWaalsContact O-CG 3.28Å; R230-L234 WeakPolarHBondContact O-CG 3.36Å; R230-L234 PolarHBondContact O-N 2.92Å |
| 231 | A | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -29.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L189 L226 D227 F228 F269 | L189-A231 HydrophobicContact CD1-CB 3.91Å; L226-A231 HydrophobicContact CB-CB 4.42Å; L226-A231 HydrophobicContact CD1-CB 4.31Å; D227-A231 VanDerWaalsContact O-CB 3.31Å; D227-A231 WeakPolarHBondContact O-CB 3.35Å; D227-A231 PolarHBondContact O-N 3.24Å; F228-A231 PolarHBondContact O-N 3.07Å; A231-F269 HydrophobicContact CB-CB 4.12Å; A231-F269 HydrophobicContact CB-CD1 3.46Å; A231-F269 VanDerWaalsContact CB-CD1 3.46Å; A231-F269 HydrophobicContact CB-CD2 4.15Å; A231-F269 HydrophobicContact CB-CE1 3.82Å; A231-F269 HydrophobicContact CB-CE2 4.47Å; A231-F269 HydrophobicContact CB-CG 3.65Å; A231-F269 HydrophobicContact CB-CZ 4.32Å |
| 232 | L | 94.4 | Very high | 95 | Very high | 86 Ų | 86 | 67 Ų | 67 | 45% | 0.45 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | 172.9 | -72.6 | 168.3 | 0 | 0 | 0 | 112.9 | F228 R230 F269 | F228-L232 WeakPolarHBondContact O-CG 3.22Å; F228-L232 PolarHBondContact O-N 3.17Å; R230-L232 PolarHBondContact O-N 2.94Å; L232-F269 HydrophobicContact CD2-CE1 3.85Å; L232-F269 HydrophobicContact CD2-CZ 3.95Å; L232-F269 HydrophobicContact CG-CE1 4.1Å; L232-F269 HydrophobicContact CG-CZ 4.12Å |
| 233 | K | 94.8 | Very high | 95 | Very high | 168 Ų | 168 | 67.2 Ų | 67.2 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -88.5 | -33.1 | -172.3 | -68.4 | 167.6 | -172.1 | 155.1 | 0 | 114.3 | D229 R230 | D229-K233 WeakPolarHBondContact O-CD 3.47Å; D229-K233 WeakPolarHBondContact O-CG 3.44Å; D229-K233 PolarHBondContact O-N 3.05Å; R230-K233 PolarHBondContact O-N 2.87Å |
| 234 | L | 95.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76 | 143.7 | -177 | -70.8 | 169.5 | 0 | 0 | 0 | 111.1 | F219 L226 R230 P236 | F219-L234 HydrophobicContact CE1-CB 3.92Å; L226-L234 HydrophobicContact CD2-CD1 3.46Å; L226-L234 VanDerWaalsContact CD2-CD1 3.46Å; R230-L234 HydrophobicContact CB-CD1 4.03Å; R230-L234 VanDerWaalsContact O-CB 3.29Å; R230-L234 WeakPolarHBondContact O-CB 3.12Å; R230-L234 VanDerWaalsContact O-CG 3.28Å; R230-L234 WeakPolarHBondContact O-CG 3.36Å; R230-L234 PolarHBondContact O-N 2.92Å; L234-P236 WeakPolarHBondContact O-CD 3.23Å |
| 235 | E | 96.1 | Very high | 95.4 | Very high | 179 Ų | 179 | 68.6 Ų | 68.6 | 84% | 0.836 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 123.6 | 171.1 | -171.3 | 178.9 | 178.5 | 0 | 0 | 109.3 | ||
| 236 | P | 97.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 20% | 0.195 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 155.4 | 177.4 | 31.9 | -35.6 | 0 | 0 | 0 | 111.2 | K217 V218 F219 L234 E238 | K217-P236 HydrophobicContact CB-CB 3.94Å; K217-P236 HydrophobicContact CB-CG 4.35Å; K217-P236 HydrophobicContact CD-CB 4.39Å; K217-P236 HydrophobicContact CD-CG 4.13Å; K217-P236 HydrophobicContact CG-CB 4.29Å; K217-P236 HydrophobicContact CG-CG 4.16Å; V218-P236 CarbonylContact O-C 3.57Å; V218-P236 WeakPolarHBondContact O-CB 3.36Å; F219-P236 HydrophobicContact CD1-CB 4.34Å; F219-P236 VanDerWaalsContact CE1-CA 3.45Å; F219-P236 HydrophobicContact CE1-CB 3.91Å; F219-P236 HydrophobicContact CE2-CB 4.28Å; F219-P236 HydrophobicContact CZ-CB 3.87Å; L234-P236 WeakPolarHBondContact O-CD 3.23Å; P236-E238 WeakPolarHBondContact CB-O 3.38Å; P236-E238 PolarHBondContact O-N 2.88Å |
| 237 | T | 97.2 | Very high | 95.6 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -58.8 | -40 | 168.8 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | V218 I220 K259 Y260 | V218-T237 WeakPolarHBondContact O-CA 3.5Å; V218-T237 WeakPolarHBondContact O-CB 3.48Å; V218-T237 PolarHBondContact O-N 2.86Å; I220-T237 HydrophobicContact CD1-CG2 4.12Å; I220-T237 HydrophobicContact CG1-CG2 4.07Å; I220-T237 PolarHBondContact N-OG1 3.1Å; T237-K259 HydrophobicContact CG2-CB 4.08Å; T237-K259 HydrophobicContact CG2-CD 4.1Å; T237-K259 WeakPolarHBondContact O-CD 3.38Å; T237-K259 PolarHBondContact O-NZ 2.68Å; T237-Y260 HydrophobicContact CG2-CE1 4.05Å; T237-Y260 HydrophobicContact CG2-CE2 4.29Å |
| 238 | E | 97.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 151.1 | 172.4 | -159.2 | 166.3 | 163.6 | 0 | 0 | 110.8 | V218 P236 F240 H256 Y260 | V218-E238 PolarHBondContact N-O 3.15Å; V218-E238 PolarHBondContact O-N 3.19Å; P236-E238 WeakPolarHBondContact CB-O 3.38Å; P236-E238 PolarHBondContact O-N 2.88Å; E238-F240 HydrophobicContact CB-CE2 3.74Å; E238-F240 HydrophobicContact CB-CZ 3.95Å; E238-F240 HydrophobicContact CG-CD2 4.44Å; E238-F240 HydrophobicContact CG-CE1 4.06Å; E238-F240 HydrophobicContact CG-CE2 3.68Å; E238-F240 HydrophobicContact CG-CZ 3.47Å; E238-F240 VanDerWaalsContact CG-CZ 3.47Å; E238-F240 WeakPolarHBondContact OE1-CE1 3.42Å; E238-F240 WeakPolarHBondContact OE1-CZ 3.27Å; E238-H256 IonicContact OE1-CE1 3.76Å; E238-H256 PolarHBondContact OE1-CE1 2.86Å; E238-H256 IonicContact OE1-CG 3.8Å; E238-H256 IonicContact OE1-ND1 3.86Å; E238-H256 PolarHBondContact OE1-ND1 2.82Å; E238-H256 IonicContact OE2-CG 3.99Å; E238-H256 PolarHBondContact OE2-N 3.46Å; E238-H256 VanDerWaalsContact OE2-N 3.1Å; E238-H256 IonicContact OE2-ND1 2.68Å; E238-H256 PolarHBondContact OE2-ND1 3.32Å; E238-Y260 WeakPolarHBondContact CB-OH 3.19Å; E238-Y260 WeakPolarHBondContact OE2-CE2 3.44Å |
| 239 | S | 97.5 | Very high | 95.3 | Very high | 58 Ų | 58 | 73.2 Ų | 73.2 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.2 | 176.1 | -168.4 | 0 | 0 | 0 | 0 | 108.7 | V216 | V216-S239 WeakPolarHBondContact O-CA 3.4Å |
| 240 | F | 97.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135 | -178 | -59.3 | -87.4 | 0 | 0 | 0 | 109.6 | F203 V216 V218 E238 L242 I253 V255 | F203-F240 HydrophobicContact CE1-CD1 4.15Å; F203-F240 AromaticContact CE1-CD2 3.67Å; F203-F240 HydrophobicContact CE1-CD2 3.67Å; F203-F240 HydrophobicContact CE1-CE1 4.04Å; F203-F240 AromaticContact CE1-CE2 3.55Å; F203-F240 HydrophobicContact CE1-CE2 3.55Å; F203-F240 AromaticContact CE1-CG 3.96Å; F203-F240 HydrophobicContact CE1-CG 3.96Å; F203-F240 AromaticContact CE1-CZ 3.73Å; F203-F240 HydrophobicContact CE1-CZ 3.73Å; F203-F240 HydrophobicContact CZ-CB 4.2Å; F203-F240 HydrophobicContact CZ-CD1 4.28Å; F203-F240 AromaticContact CZ-CD2 3.68Å; F203-F240 HydrophobicContact CZ-CD2 3.68Å; F203-F240 HydrophobicContact CZ-CE2 4.08Å; F203-F240 AromaticContact CZ-CG 3.79Å; F203-F240 HydrophobicContact CZ-CG 3.79Å; V216-F240 PolarHBondContact N-O 3.09Å; V216-F240 PolarHBondContact O-N 2.95Å; V218-F240 HydrophobicContact CB-CE2 4.38Å; V218-F240 HydrophobicContact CG2-CD2 3.77Å; V218-F240 HydrophobicContact CG2-CE2 3.63Å; E238-F240 HydrophobicContact CB-CE2 3.74Å; E238-F240 HydrophobicContact CB-CZ 3.95Å; E238-F240 HydrophobicContact CG-CD2 4.44Å; E238-F240 HydrophobicContact CG-CE1 4.06Å; E238-F240 HydrophobicContact CG-CE2 3.68Å; E238-F240 HydrophobicContact CG-CZ 3.47Å; E238-F240 VanDerWaalsContact CG-CZ 3.47Å; E238-F240 WeakPolarHBondContact OE1-CE1 3.42Å; E238-F240 WeakPolarHBondContact OE1-CZ 3.27Å; F240-L242 HydrophobicContact CB-CD2 4.03Å; F240-I253 HydrophobicContact CD1-CG2 3.49Å; F240-I253 VanDerWaalsContact CD1-CG2 3.49Å; F240-I253 HydrophobicContact CE1-CG2 3.73Å; F240-I253 HydrophobicContact CG-CG2 4.22Å; F240-V255 HydrophobicContact CE2-CG1 4.42Å; F240-V255 HydrophobicContact CZ-CB 4.24Å; F240-V255 HydrophobicContact CZ-CG1 3.84Å |
| 241 | T | 97.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 68.7 Ų | 68.7 | 63% | 0.632 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 106.3 | 168.5 | -56.2 | 0 | 0 | 0 | 0 | 107.2 | K214 | K214-T241 CarbonylContact O-C 3.54Å; K214-T241 WeakPolarHBondContact O-CA 3.44Å |
| 242 | L | 96.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | trans | -78.2 | 137.2 | -178.7 | -49 | -169.6 | 0 | 0 | 0 | 109.5 | M205 P213 K214 V216 F240 Q246 I253 Q274 | M205-L242 HydrophobicContact CB-CD1 4.29Å; P213-L242 HydrophobicContact CB-CD1 4.45Å; P213-L242 HydrophobicContact CG-CD1 4.07Å; K214-L242 PolarHBondContact O-N 3.46Å; V216-L242 HydrophobicContact CG2-CD1 4.28Å; V216-L242 HydrophobicContact CG2-CG 4.49Å; F240-L242 HydrophobicContact CB-CD2 4.03Å; L242-Q246 HydrophobicContact CB-CB 4.39Å; L242-I253 HydrophobicContact CD1-CD1 4.09Å; L242-I253 HydrophobicContact CD2-CD1 3.34Å; L242-I253 HydrophobicContact CD2-CG1 3.94Å; L242-I253 HydrophobicContact CG-CD1 4.33Å; L242-Q274 PolarHBondContact O-NE2 3.13Å | ||
| 243 | S | 95.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | trans | -72.9 | 163.2 | 167.4 | 75.2 | 0 | 0 | 0 | 0 | 111 | Q245 Q246 A247 Q274 | S243-Q245 VanDerWaalsContact C-N 3.29Å; S243-Q245 PolarHBondContact O-N 3.08Å; S243-Q246 PolarHBondContact O-N 3.27Å; S243-Q246 WeakPolarHBondContact OG-CB 3.37Å; S243-Q246 VanDerWaalsContact OG-CG 3.24Å; S243-Q246 WeakPolarHBondContact OG-CG 3.49Å; S243-Q246 PolarHBondContact OG-N 3.18Å; S243-Q246 VanDerWaalsContact OG-N 3.09Å; S243-A247 PolarHBondContact O-N 2.72Å; S243-Q274 PolarHBondContact O-NE2 3.09Å | ||
| 244 | E | 94.4 | Very high | 95 | Very high | 132 Ų | 132 | 64.4 Ų | 64.4 | 62% | 0.617 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.6 | -45.5 | 174.7 | -173.1 | 174.8 | -172 | 0 | 0 | 111.4 | Q246 A247 E248 | E244-Q246 PolarHBondContact O-N 3.47Å; E244-A247 PolarHBondContact O-N 2.88Å; E244-E248 VanDerWaalsContact O-CB 3.3Å; E244-E248 WeakPolarHBondContact O-CB 3.41Å; E244-E248 PolarHBondContact O-N 2.77Å |
| 245 | Q | 92.6 | Very high | 95 | Very high | 129 Ų | 129 | 62 Ų | 62 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 176.1 | -69.6 | 175.3 | -13.8 | 0 | 0 | 112.3 | S243 A247 E248 D249 | S243-Q245 VanDerWaalsContact C-N 3.29Å; S243-Q245 PolarHBondContact O-N 3.08Å; Q245-A247 VanDerWaalsContact C-N 3.28Å; Q245-A247 PolarHBondContact O-N 3.06Å; Q245-E248 PolarHBondContact O-N 3.2Å; Q245-D249 WeakPolarHBondContact O-CB 3.26Å; Q245-D249 PolarHBondContact O-N 3.38Å |
| 246 | Q | 93.8 | Very high | 95 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -60.4 | -39.9 | 177.6 | -75.9 | 176.5 | -35.9 | 0 | 0 | 111.9 | L242 S243 E244 G250 E251 | L242-Q246 HydrophobicContact CB-CB 4.39Å; S243-Q246 PolarHBondContact O-N 3.27Å; S243-Q246 WeakPolarHBondContact OG-CB 3.37Å; S243-Q246 VanDerWaalsContact OG-CG 3.24Å; S243-Q246 WeakPolarHBondContact OG-CG 3.49Å; S243-Q246 PolarHBondContact OG-N 3.18Å; S243-Q246 VanDerWaalsContact OG-N 3.09Å; E244-Q246 PolarHBondContact O-N 3.47Å; Q246-G250 CarbonylContact O-C 3.4Å; Q246-G250 WeakPolarHBondContact O-CA 3.24Å; Q246-G250 PolarHBondContact O-N 3.23Å; Q246-G250 VanDerWaalsContact O-N 3.13Å; Q246-E251 HydrophobicContact CB-CB 4.33Å; Q246-E251 HydrophobicContact CG-CB 4Å; Q246-E251 HydrophobicContact CG-CG 4.32Å; Q246-E251 VanDerWaalsContact CG-OE2 3.22Å; Q246-E251 WeakPolarHBondContact CG-OE2 3.39Å; Q246-E251 PolarHBondContact O-N 3.42Å |
| 247 | A | 94.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -75.3 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K206 G207 S243 E244 Q245 Q274 | K206-A247 CarbonylContact C-O 3.5Å; K206-A247 WeakPolarHBondContact CA-O 3.37Å; G207-A247 PolarHBondContact N-O 3.3Å; S243-A247 PolarHBondContact O-N 2.72Å; E244-A247 PolarHBondContact O-N 2.88Å; Q245-A247 VanDerWaalsContact C-N 3.28Å; Q245-A247 PolarHBondContact O-N 3.06Å; A247-Q274 HydrophobicContact CB-CG 3.86Å |
| 248 | E | 93.3 | Very high | 94.5 | Very high | 121 Ų | 121 | 63.9 Ų | 63.9 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -72.5 | -49.4 | -177.3 | -174.2 | 173.5 | -163.2 | 0 | 0 | 112.4 | K206 E244 Q245 G250 | K206-E248 WeakPolarHBondContact CE-O 3.37Å; K206-E248 WeakPolarHBondContact CG-O 3.47Å; E244-E248 VanDerWaalsContact O-CB 3.3Å; E244-E248 WeakPolarHBondContact O-CB 3.41Å; E244-E248 PolarHBondContact O-N 2.77Å; Q245-E248 PolarHBondContact O-N 3.2Å; E248-G250 VanDerWaalsContact C-N 3.31Å |
| 249 | D | 90.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 68 Ų | 68 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -80.5 | -20 | -179.8 | -68.7 | -30.1 | 0 | 0 | 0 | 111.8 | R204 Q245 E251 | R204-D249 PolarHBondContact NH2-O 2.86Å; Q245-D249 WeakPolarHBondContact O-CB 3.26Å; Q245-D249 PolarHBondContact O-N 3.38Å; D249-E251 HydrophobicContact CB-CG 4.47Å |
| 250 | G | 89.3 | Confident | 94.3 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | 65.9 | 61.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R204 Q246 E248 | R204-G250 VanDerWaalsContact CD-O 3.31Å; R204-G250 WeakPolarHBondContact CD-O 3.47Å; R204-G250 WeakPolarHBondContact CG-O 3.09Å; R204-G250 PolarHBondContact NE-O 2.87Å; Q246-G250 CarbonylContact O-C 3.4Å; Q246-G250 WeakPolarHBondContact O-CA 3.24Å; Q246-G250 PolarHBondContact O-N 3.23Å; Q246-G250 VanDerWaalsContact O-N 3.13Å; E248-G250 VanDerWaalsContact C-N 3.31Å |
| 251 | E | 92.2 | Very high | 94.1 | Very high | 86 Ų | 86 | 67.9 Ų | 67.9 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 153.1 | 172.6 | -67.3 | -171.4 | 168.4 | 0 | 0 | 111 | Q246 D249 I253 | Q246-E251 HydrophobicContact CB-CB 4.33Å; Q246-E251 HydrophobicContact CG-CB 4Å; Q246-E251 HydrophobicContact CG-CG 4.32Å; Q246-E251 VanDerWaalsContact CG-OE2 3.22Å; Q246-E251 WeakPolarHBondContact CG-OE2 3.39Å; Q246-E251 PolarHBondContact O-N 3.42Å; D249-E251 HydrophobicContact CB-CG 4.47Å; E251-I253 PolarHBondContact O-N 2.06Å |
| 252 | V | 93.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 65.9 Ų | 65.9 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 120.5 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | I142 V143 S202 Y288 | I142-V252 HydrophobicContact CG2-CG2 4.24Å; V143-V252 HydrophobicContact CG2-CB 4.47Å; V143-V252 HydrophobicContact CG2-CG1 3.73Å; V143-V252 HydrophobicContact CG2-CG2 3.97Å; S202-V252 VanDerWaalsContact OG-CG1 3.28Å; S202-V252 WeakPolarHBondContact OG-CG1 3.31Å; V252-Y288 HydrophobicContact CG1-CD2 4.42Å; V252-Y288 HydrophobicContact CG2-CE2 4.21Å |
| 253 | I | 95.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.4 | 178 | -59.3 | 128.8 | 0 | 0 | 0 | 109 | S202 F203 F240 L242 E251 | S202-I253 CarbonylContact C-O 3.56Å; S202-I253 WeakPolarHBondContact CA-O 3.45Å; S202-I253 WeakPolarHBondContact CB-O 3.31Å; F203-I253 HydrophobicContact CD1-CB 4.31Å; F203-I253 HydrophobicContact CD1-CG2 4.45Å; F203-I253 HydrophobicContact CD2-CD1 4.29Å; F203-I253 HydrophobicContact CE1-CB 3.86Å; F203-I253 HydrophobicContact CE1-CG2 3.63Å; F203-I253 HydrophobicContact CE2-CB 4.31Å; F203-I253 HydrophobicContact CE2-CD1 3.68Å; F203-I253 HydrophobicContact CZ-CB 3.87Å; F203-I253 HydrophobicContact CZ-CD1 3.92Å; F203-I253 HydrophobicContact CZ-CG1 4.45Å; F203-I253 HydrophobicContact CZ-CG2 3.75Å; F203-I253 PolarHBondContact N-O 3.21Å; F203-I253 PolarHBondContact O-N 3.11Å; F240-I253 HydrophobicContact CD1-CG2 3.49Å; F240-I253 VanDerWaalsContact CD1-CG2 3.49Å; F240-I253 HydrophobicContact CE1-CG2 3.73Å; F240-I253 HydrophobicContact CG-CG2 4.22Å; L242-I253 HydrophobicContact CD1-CD1 4.09Å; L242-I253 HydrophobicContact CD2-CD1 3.34Å; L242-I253 HydrophobicContact CD2-CG1 3.94Å; L242-I253 HydrophobicContact CG-CD1 4.33Å; E251-I253 PolarHBondContact O-N 2.06Å |
| 254 | N | 96.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.2 | 177.7 | -67.9 | -29.7 | 0 | 0 | 0 | 110.7 | ||
| 255 | V | 96.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 161.2 | 170.5 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | L200 H201 F203 F240 C257 Y260 | L200-V255 HydrophobicContact CB-CG2 4.26Å; H201-V255 WeakPolarHBondContact O-CG2 3.33Å; H201-V255 PolarHBondContact O-N 3.29Å; H201-V255 VanDerWaalsContact O-N 3.08Å; F203-V255 HydrophobicContact CD1-CG1 3.7Å; F203-V255 HydrophobicContact CE1-CG1 4.06Å; F240-V255 HydrophobicContact CE2-CG1 4.42Å; F240-V255 HydrophobicContact CZ-CB 4.24Å; F240-V255 HydrophobicContact CZ-CG1 3.84Å; V255-C257 VanDerWaalsContact C-N 3.32Å; V255-C257 PolarHBondContact O-N 3.19Å; V255-Y260 HydrophobicContact CB-CD2 3.78Å; V255-Y260 HydrophobicContact CB-CE2 3.61Å; V255-Y260 HydrophobicContact CG1-CE2 4.35Å; V255-Y260 HydrophobicContact CG2-CD2 3.43Å; V255-Y260 VanDerWaalsContact CG2-CD2 3.43Å; V255-Y260 HydrophobicContact CG2-CE2 3.83Å; V255-Y260 HydrophobicContact CG2-CG 3.93Å |
| 256 | H | 96 | Very high | 93.9 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | trans | -71.8 | 88.3 | 169.7 | -69.4 | 82.3 | 0 | 0 | 0 | 110.1 | E238 V258 K259 Y260 | E238-H256 IonicContact OE1-CE1 3.76Å; E238-H256 PolarHBondContact OE1-CE1 2.86Å; E238-H256 IonicContact OE1-CG 3.8Å; E238-H256 IonicContact OE1-ND1 3.86Å; E238-H256 PolarHBondContact OE1-ND1 2.82Å; E238-H256 IonicContact OE2-CG 3.99Å; E238-H256 PolarHBondContact OE2-N 3.46Å; E238-H256 VanDerWaalsContact OE2-N 3.1Å; E238-H256 IonicContact OE2-ND1 2.68Å; E238-H256 PolarHBondContact OE2-ND1 3.32Å; H256-V258 HydrophobicContact CB-CG2 4.34Å; H256-V258 PolarHBondContact O-N 3.34Å; H256-K259 HydrophobicContact CB-CD 4.3Å; H256-K259 HydrophobicContact CB-CG 4.38Å; H256-K259 WeakPolarHBondContact O-CB 3.09Å; H256-K259 PolarHBondContact O-N 2.84Å; H256-Y260 WeakPolarHBondContact O-CD2 3.21Å | ||
| 257 | C | 90.3 | Very high | 94.1 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -24.6 | -171.5 | 67.1 | 0 | 0 | 0 | 0 | 115 | V255 K259 Y260 Q261 | V255-C257 VanDerWaalsContact C-N 3.32Å; V255-C257 PolarHBondContact O-N 3.19Å; C257-K259 PolarHBondContact O-N 3.42Å; C257-Y260 CarbonylContact O-C 3.56Å; C257-Y260 PolarHBondContact O-N 3.21Å; C257-Y260 VanDerWaalsContact O-N 3.13Å; C257-Q261 PolarHBondContact O-NE2 2.82Å |
| 258 | V | 93.6 | Very high | 94.2 | Very high | 117 Ų | 117 | 53.4 Ų | 53.4 | 71% | 0.709 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.8 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | H256 | H256-V258 HydrophobicContact CB-CG2 4.34Å; H256-V258 PolarHBondContact O-N 3.34Å |
| 259 | K | 95 | Very high | 94.4 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 45% | 0.452 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -22.1 | 176.7 | -63.4 | -178.1 | 176.3 | 179.4 | 0 | 112.5 | I220 T237 H256 C257 | I220-K259 VanDerWaalsContact CD1-O 3.28Å; I220-K259 WeakPolarHBondContact CD1-O 3.39Å; T237-K259 HydrophobicContact CG2-CB 4.08Å; T237-K259 HydrophobicContact CG2-CD 4.1Å; T237-K259 WeakPolarHBondContact O-CD 3.38Å; T237-K259 PolarHBondContact O-NZ 2.68Å; H256-K259 HydrophobicContact CB-CD 4.3Å; H256-K259 HydrophobicContact CB-CG 4.38Å; H256-K259 WeakPolarHBondContact O-CB 3.09Å; H256-K259 PolarHBondContact O-N 2.84Å; C257-K259 PolarHBondContact O-N 3.42Å |
| 260 | Y | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -115.5 | 40.4 | -169.1 | -58.5 | -91.6 | 0 | 0 | 0 | 112.7 | K199 L200 V218 I220 T237 E238 V255 H256 C257 V263 L266 | K199-Y260 CarbonylContact C-O 3.5Å; K199-Y260 WeakPolarHBondContact CA-O 3.44Å; L200-Y260 HydrophobicContact CB-CD1 4.26Å; L200-Y260 HydrophobicContact CB-CG 4.16Å; L200-Y260 HydrophobicContact CD1-CD1 3.86Å; L200-Y260 HydrophobicContact CD1-CE1 4.48Å; L200-Y260 HydrophobicContact CG-CD1 4.33Å; L200-Y260 PolarHBondContact N-O 3.36Å; V218-Y260 HydrophobicContact CG1-CE1 4.03Å; I220-Y260 HydrophobicContact CD1-CD1 4.11Å; I220-Y260 HydrophobicContact CD1-CE1 4.43Å; I220-Y260 HydrophobicContact CG2-CD1 3.71Å; I220-Y260 HydrophobicContact CG2-CE1 3.58Å; T237-Y260 HydrophobicContact CG2-CE1 4.05Å; T237-Y260 HydrophobicContact CG2-CE2 4.29Å; E238-Y260 WeakPolarHBondContact CB-OH 3.19Å; E238-Y260 WeakPolarHBondContact OE2-CE2 3.44Å; V255-Y260 HydrophobicContact CB-CD2 3.78Å; V255-Y260 HydrophobicContact CB-CE2 3.61Å; V255-Y260 HydrophobicContact CG1-CE2 4.35Å; V255-Y260 HydrophobicContact CG2-CD2 3.43Å; V255-Y260 VanDerWaalsContact CG2-CD2 3.43Å; V255-Y260 HydrophobicContact CG2-CE2 3.83Å; V255-Y260 HydrophobicContact CG2-CG 3.93Å; H256-Y260 WeakPolarHBondContact O-CD2 3.21Å; C257-Y260 CarbonylContact O-C 3.56Å; C257-Y260 PolarHBondContact O-N 3.21Å; C257-Y260 VanDerWaalsContact O-N 3.13Å; Y260-V263 HydrophobicContact CD1-CG2 4.01Å; Y260-V263 HydrophobicContact CG-CG2 4.49Å; Y260-L266 HydrophobicContact CE1-CD1 4.46Å | ||
| 261 | Q | 92.8 | Very high | 95.2 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -79.8 | -15.8 | -180 | -70.2 | -63.7 | -55.4 | 0 | 0 | 114.3 | K199 C257 | K199-Q261 WeakPolarHBondContact CG-O 3.08Å; C257-Q261 PolarHBondContact O-NE2 2.82Å |
| 262 | S | 92.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 43% | 0.427 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -152.7 | 71.8 | -171.4 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | M197 N221 | M197-S262 VanDerWaalsContact SD-CA 3.57Å; M197-S262 WeakPolarHBondContact SD-CB 3.43Å; N221-S262 PolarHBondContact ND2-O 3.09Å |
| 263 | V | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.9 | -175.9 | -173 | 0 | 0 | 0 | 0 | 110.3 | F194 M197 A198 L200 I220 Y260 S265 L266 | F194-V263 HydrophobicContact CD2-CG1 4.14Å; F194-V263 HydrophobicContact CE2-CG1 3.9Å; M197-V263 CarbonylContact C-O 3.54Å; M197-V263 WeakPolarHBondContact CA-O 3.12Å; A198-V263 PolarHBondContact N-O 3.2Å; A198-V263 PolarHBondContact O-N 2.81Å; L200-V263 HydrophobicContact CD1-CB 4.38Å; L200-V263 HydrophobicContact CD1-CG1 4.14Å; L200-V263 HydrophobicContact CD1-CG2 4.08Å; L200-V263 HydrophobicContact CG-CB 4.2Å; L200-V263 HydrophobicContact CG-CG1 4.47Å; L200-V263 HydrophobicContact CG-CG2 3.87Å; I220-V263 HydrophobicContact CB-CG1 4.21Å; I220-V263 HydrophobicContact CD1-CG2 4.17Å; I220-V263 HydrophobicContact CG2-CG1 3.83Å; I220-V263 HydrophobicContact CG2-CG2 4.1Å; Y260-V263 HydrophobicContact CD1-CG2 4.01Å; Y260-V263 HydrophobicContact CG-CG2 4.49Å; V263-S265 WeakPolarHBondContact CG1-O 3.43Å; V263-L266 HydrophobicContact CG1-CB 4.37Å |
| 264 | H | 92.6 | Very high | 95.6 | Very high | 88 Ų | 88 | 40.3 Ų | 40.3 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -36.5 | 172.1 | -67.4 | -68.3 | 0 | 0 | 0 | 112 | F194 M197 N221 | F194-H264 PolarHBondContact N-O 3.35Å; M197-H264 WeakPolarHBondContact CE-CE1 3.43Å; M197-H264 WeakPolarHBondContact CE-NE2 3.29Å; N221-H264 PolarHBondContact OD1-N 2.9Å |
| 265 | S | 95.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.5 | 176.6 | 62.8 | 0 | 0 | 0 | 0 | 110 | I192 I220 N221 V263 | I192-S265 CarbonylContact O-C 3.6Å; I192-S265 VanDerWaalsContact O-CA 3.29Å; I192-S265 WeakPolarHBondContact O-CA 3.43Å; I220-S265 VanDerWaalsContact CA-O 3.32Å; I220-S265 WeakPolarHBondContact CA-O 3.43Å; N221-S265 WeakPolarHBondContact CA-OG 3.35Å; N221-S265 PolarHBondContact N-O 3.3Å; N221-S265 PolarHBondContact N-OG 2.92Å; N221-S265 PolarHBondContact OD1-N 2.97Å; V263-S265 WeakPolarHBondContact CG1-O 3.43Å |
| 266 | L | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.5 | 179.5 | -177 | 70.3 | 0 | 0 | 0 | 108.7 | I192 F194 L200 V218 F219 I220 Y260 V263 F268 I287 | I192-L266 PolarHBondContact N-O 3.18Å; I192-L266 PolarHBondContact O-N 2.87Å; F194-L266 HydrophobicContact CE2-CB 4Å; F194-L266 HydrophobicContact CZ-CB 4.49Å; F194-L266 HydrophobicContact CZ-CD2 4.46Å; L200-L266 HydrophobicContact CD1-CD1 3.84Å; L200-L266 HydrophobicContact CD1-CD2 3.86Å; L200-L266 HydrophobicContact CD1-CG 4.39Å; V218-L266 HydrophobicContact CG1-CD1 3.38Å; V218-L266 HydrophobicContact CG1-CG 4.43Å; F219-L266 CarbonylContact O-C 3.53Å; F219-L266 WeakPolarHBondContact O-CA 3.32Å; I220-L266 HydrophobicContact CG2-CD1 3.49Å; I220-L266 VanDerWaalsContact CG2-CD1 3.49Å; Y260-L266 HydrophobicContact CE1-CD1 4.46Å; V263-L266 HydrophobicContact CG1-CB 4.37Å; L266-F268 HydrophobicContact CD2-CD2 4.21Å; L266-F268 HydrophobicContact CD2-CE2 3.38Å; L266-F268 HydrophobicContact CD2-CZ 3.59Å; L266-F268 HydrophobicContact CG-CD2 4.44Å; L266-F268 HydrophobicContact CG-CE2 4.04Å; L266-F268 HydrophobicContact CG-CZ 4.32Å; L266-I287 HydrophobicContact CD2-CD1 3.6Å; L266-I287 HydrophobicContact CD2-CG1 4.43Å |
| 267 | Q | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.1 | 174.2 | -66.8 | -178.2 | 69.7 | 0 | 0 | 109.7 | I190 F191 V218 F219 L226 | I190-Q267 CarbonylContact O-C 3.56Å; I190-Q267 WeakPolarHBondContact O-CA 3.49Å; F191-Q267 HydrophobicContact CB-CG 4.1Å; F191-Q267 HydrophobicContact CD2-CG 3.48Å; F191-Q267 VanDerWaalsContact CD2-CG 3.48Å; F191-Q267 HydrophobicContact CE2-CG 4.38Å; F191-Q267 HydrophobicContact CG-CG 4.24Å; V218-Q267 WeakPolarHBondContact CA-O 3.38Å; F219-Q267 HydrophobicContact CB-CB 4.27Å; F219-Q267 PolarHBondContact N-O 2.97Å; F219-Q267 PolarHBondContact O-N 3.39Å; L226-Q267 VanDerWaalsContact CB-OE1 3.26Å; L226-Q267 HydrophobicContact CD1-CB 4.38Å |
| 268 | F | 97.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.6 | 168.2 | -67.7 | -77.4 | 0 | 0 | 0 | 109 | L189 I190 F203 M205 V216 K217 V218 L266 L285 I287 | L189-F268 WeakPolarHBondContact CA-O 3.4Å; I190-F268 HydrophobicContact CB-CB 4.31Å; I190-F268 PolarHBondContact N-O 2.96Å; I190-F268 PolarHBondContact O-N 3.26Å; F203-F268 HydrophobicContact CB-CZ 4.09Å; F203-F268 HydrophobicContact CD1-CE1 4.42Å; F203-F268 HydrophobicContact CD2-CE1 4Å; F203-F268 HydrophobicContact CD2-CZ 4.17Å; F203-F268 HydrophobicContact CE2-CE1 4.26Å; F203-F268 HydrophobicContact CG-CE1 4.09Å; F203-F268 HydrophobicContact CG-CZ 4.05Å; M205-F268 HydrophobicContact CE-CB 3.7Å; M205-F268 HydrophobicContact CE-CD1 3.3Å; M205-F268 HydrophobicContact CE-CD2 3.58Å; M205-F268 HydrophobicContact CE-CE1 3.67Å; M205-F268 HydrophobicContact CE-CE2 3.9Å; M205-F268 HydrophobicContact CE-CG 3.25Å; M205-F268 HydrophobicContact CE-CZ 3.95Å; M205-F268 HydrophobicContact SD-CD1 4.48Å; V216-F268 HydrophobicContact CG1-CB 4.36Å; V216-F268 HydrophobicContact CG1-CD1 3.71Å; V216-F268 HydrophobicContact CG1-CG 4.5Å; K217-F268 WeakPolarHBondContact O-CA 3.38Å; V218-F268 HydrophobicContact CG1-CE1 4.33Å; V218-F268 HydrophobicContact CG2-CD1 3.66Å; V218-F268 HydrophobicContact CG2-CE1 3.6Å; L266-F268 HydrophobicContact CD2-CD2 4.21Å; L266-F268 HydrophobicContact CD2-CE2 3.38Å; L266-F268 HydrophobicContact CD2-CZ 3.59Å; L266-F268 HydrophobicContact CG-CD2 4.44Å; L266-F268 HydrophobicContact CG-CE2 4.04Å; L266-F268 HydrophobicContact CG-CZ 4.32Å; F268-L285 HydrophobicContact CE2-CD1 4.13Å; F268-I287 HydrophobicContact CE2-CD1 4.03Å; F268-I287 HydrophobicContact CE2-CG1 4.36Å |
| 269 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 107.1 | 167 | 173.4 | -138 | 0 | 0 | 0 | 108.1 | Q187 L188 V216 K217 F219 F228 A231 L232 V271 | Q187-F269 HydrophobicContact CB-CE2 4.1Å; Q187-F269 HydrophobicContact CG-CE2 4.3Å; L188-F269 CarbonylContact O-C 3.04Å; L188-F269 WeakPolarHBondContact O-CA 3.39Å; V216-F269 WeakPolarHBondContact CA-O 3.4Å; K217-F269 HydrophobicContact CB-CB 4.27Å; K217-F269 HydrophobicContact CB-CD1 4.38Å; K217-F269 HydrophobicContact CD-CD1 4.12Å; K217-F269 PolarHBondContact N-O 2.92Å; K217-F269 PolarHBondContact O-N 3.11Å; F219-F269 HydrophobicContact CE2-CB 4.1Å; F228-F269 HydrophobicContact CD1-CD2 4.39Å; F228-F269 AromaticContact CD1-CE2 3.75Å; F228-F269 HydrophobicContact CD1-CE2 3.75Å; F228-F269 HydrophobicContact CE1-CE2 4.19Å; A231-F269 HydrophobicContact CB-CB 4.12Å; A231-F269 HydrophobicContact CB-CD1 3.46Å; A231-F269 VanDerWaalsContact CB-CD1 3.46Å; A231-F269 HydrophobicContact CB-CD2 4.15Å; A231-F269 HydrophobicContact CB-CE1 3.82Å; A231-F269 HydrophobicContact CB-CE2 4.47Å; A231-F269 HydrophobicContact CB-CG 3.65Å; A231-F269 HydrophobicContact CB-CZ 4.32Å; L232-F269 HydrophobicContact CD2-CE1 3.85Å; L232-F269 HydrophobicContact CD2-CZ 3.95Å; L232-F269 HydrophobicContact CG-CE1 4.1Å; L232-F269 HydrophobicContact CG-CZ 4.12Å; F269-V271 HydrophobicContact CD1-CG2 3.84Å; F269-V271 HydrophobicContact CE1-CG2 3.71Å; F269-V271 HydrophobicContact CG-CG2 4.45Å; F269-V271 HydrophobicContact CZ-CG2 4.2Å |
| 270 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116 | 171.8 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | Q187 L188 P213 V216 T280 I282 | Q187-V270 VanDerWaalsContact CA-O 3.3Å; Q187-V270 WeakPolarHBondContact CA-O 3.43Å; L188-V270 HydrophobicContact CB-CB 4.15Å; L188-V270 HydrophobicContact CB-CG2 4.26Å; L188-V270 PolarHBondContact N-O 3.09Å; L188-V270 VanDerWaalsContact N-O 3.16Å; L188-V270 PolarHBondContact O-N 3.18Å; P213-V270 HydrophobicContact CB-CG1 3.73Å; P213-V270 HydrophobicContact CB-CG2 4.32Å; V216-V270 HydrophobicContact CG2-CG2 4.39Å; V270-T280 HydrophobicContact CG1-CG2 4.12Å; V270-I282 HydrophobicContact CG2-CD1 4.31Å |
| 271 | V | 97.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | trans | -87.2 | -38.1 | -175.2 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | L215 K217 F269 | L215-V271 HydrophobicContact CB-CB 4.14Å; L215-V271 HydrophobicContact CD2-CB 4.02Å; L215-V271 HydrophobicContact CD2-CG1 4.15Å; L215-V271 HydrophobicContact CD2-CG2 4.08Å; L215-V271 HydrophobicContact CG-CB 4.09Å; L215-V271 HydrophobicContact CG-CG2 4Å; L215-V271 PolarHBondContact O-N 2.78Å; K217-V271 HydrophobicContact CD-CG2 4.34Å; K217-V271 HydrophobicContact CG-CG2 4.16Å; F269-V271 HydrophobicContact CD1-CG2 3.84Å; F269-V271 HydrophobicContact CE1-CG2 3.71Å; F269-V271 HydrophobicContact CG-CG2 4.45Å; F269-V271 HydrophobicContact CZ-CG2 4.2Å | ||
| 272 | N | 96.9 | Very high | 95.7 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.219 | 19% | 0.186 | C | C | . | . | trans | -158 | 174.2 | 178.2 | 62 | 12.7 | 0 | 0 | 0 | 112.4 | E186 K214 L215 | E186-N272 HydrophobicContact CG-CB 4.2Å; K214-N272 WeakPolarHBondContact CB-OD1 3.44Å; K214-N272 PolarHBondContact N-O 2.96Å; L215-N272 VanDerWaalsContact CB-OD1 3.23Å; L215-N272 WeakPolarHBondContact CB-OD1 3.36Å; L215-N272 PolarHBondContact N-OD1 3.37Å | ||
| 273 | N | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -111.8 | 171.8 | 179.2 | 59.9 | 67.3 | 0 | 0 | 0 | 113.6 | E186 G212 K214 A275 D276 S277 T279 T280 | E186-N273 WeakPolarHBondContact CB-ND2 3.35Å; G212-N273 CarbonylContact O-C 3.54Å; G212-N273 WeakPolarHBondContact O-CA 3.3Å; G212-N273 WeakPolarHBondContact O-CB 3.29Å; K214-N273 WeakPolarHBondContact CB-O 3.28Å; K214-N273 WeakPolarHBondContact CD-O 3.36Å; N273-A275 PolarHBondContact OD1-N 2.9Å; N273-D276 WeakPolarHBondContact OD1-CA 3.49Å; N273-D276 PolarHBondContact OD1-N 3.09Å; N273-S277 PolarHBondContact ND2-O 2.89Å; N273-S277 PolarHBondContact ND2-OG 3.1Å; N273-S277 PolarHBondContact OD1-N 3.49Å; N273-S277 PolarHBondContact OD1-OG 2.81Å; N273-T279 PolarHBondContact ND2-O 2.65Å; N273-T280 HydrophobicContact CB-CG2 4.39Å; N273-T280 WeakPolarHBondContact CB-OG1 3.45Å |
| 274 | Q | 96.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -39.6 | -177.1 | -64.3 | -63.2 | -21.2 | 0 | 0 | 112.7 | G210 G212 P213 K214 L242 S243 A247 D276 | G210-Q274 WeakPolarHBondContact O-CB 3.41Å; G212-Q274 WeakPolarHBondContact O-CG 3.28Å; G212-Q274 PolarHBondContact O-N 2.91Å; P213-Q274 PolarHBondContact O-NE2 3.46Å; K214-Q274 HydrophobicContact CB-CG 4.44Å; L242-Q274 PolarHBondContact O-NE2 3.13Å; S243-Q274 PolarHBondContact O-NE2 3.09Å; A247-Q274 HydrophobicContact CB-CG 3.86Å; Q274-D276 VanDerWaalsContact C-N 3.34Å; Q274-D276 PolarHBondContact O-N 3.29Å |
| 275 | A | 93 | Very high | 95.8 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 49% | 0.488 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 1.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N273 S277 | N273-A275 PolarHBondContact OD1-N 2.9Å; A275-S277 PolarHBondContact O-N 2.98Å; A275-S277 VanDerWaalsContact O-N 3.12Å |
| 276 | D | 92.5 | Very high | 95.7 | Very high | 118 Ų | 118 | 29.9 Ų | 29.9 | 63% | 0.631 | 16% | 0.159 | S | C | * | . | trans | 46.7 | 37.5 | -168.9 | -60.9 | -47.5 | 0 | 0 | 0 | 112 | K214 N273 Q274 | K214-D276 IonicContact NZ-OD1 2.58Å; N273-D276 WeakPolarHBondContact OD1-CA 3.49Å; N273-D276 PolarHBondContact OD1-N 3.09Å; Q274-D276 VanDerWaalsContact C-N 3.34Å; Q274-D276 PolarHBondContact O-N 3.29Å | ||
| 277 | S | 92.7 | Very high | 95.6 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | trans | -89 | 165.9 | -177.7 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | M211 N273 A275 T279 | M211-S277 WeakPolarHBondContact CE-OG 3.24Å; N273-S277 PolarHBondContact ND2-O 2.89Å; N273-S277 PolarHBondContact ND2-OG 3.1Å; N273-S277 PolarHBondContact OD1-N 3.49Å; N273-S277 PolarHBondContact OD1-OG 2.81Å; A275-S277 PolarHBondContact O-N 2.98Å; A275-S277 VanDerWaalsContact O-N 3.12Å; S277-T279 PolarHBondContact O-N 3Å; S277-T279 PolarHBondContact OG-O 3.31Å; S277-T279 VanDerWaalsContact OG-O 3.12Å | ||
| 278 | E | 94.1 | Very high | 95.5 | Very high | 168 Ų | 168 | 29.8 Ų | 29.8 | 79% | 0.785 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -66.1 | -21 | -175.6 | -62.9 | -179.1 | 173.1 | 0 | 0 | 114.4 | D185 E186 | D185-E278 CarbonylContact C-O 3.6Å; D185-E278 WeakPolarHBondContact CA-O 3.41Å; E186-E278 PolarHBondContact N-O 3.26Å; E186-E278 VanDerWaalsContact N-O 3.07Å |
| 279 | T | 96.2 | Very high | 95.3 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 14% | 0.141 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -135.5 | 148.4 | -176.7 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | S182 M211 N273 S277 | S182-T279 WeakPolarHBondContact O-CG2 3.09Å; S182-T279 VanDerWaalsContact OG-CA 3.26Å; S182-T279 WeakPolarHBondContact OG-CA 3.49Å; M211-T279 WeakPolarHBondContact CE-O 3.36Å; M211-T279 WeakPolarHBondContact CE-OG1 3.13Å; N273-T279 PolarHBondContact ND2-O 2.65Å; S277-T279 PolarHBondContact O-N 3Å; S277-T279 PolarHBondContact OG-O 3.31Å; S277-T279 VanDerWaalsContact OG-O 3.12Å |
| 280 | T | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -100.2 | 137 | 171.2 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | E181 S182 E186 L188 M211 P213 V270 N273 I282 | E181-T280 WeakPolarHBondContact CA-O 3.15Å; S182-T280 PolarHBondContact N-O 3.05Å; S182-T280 PolarHBondContact OG-N 3.33Å; E186-T280 WeakPolarHBondContact O-CB 3.29Å; E186-T280 PolarHBondContact O-OG1 3.03Å; L188-T280 HydrophobicContact CD1-CG2 4.27Å; M211-T280 WeakPolarHBondContact O-CA 3Å; P213-T280 HydrophobicContact CB-CG2 4.48Å; V270-T280 HydrophobicContact CG1-CG2 4.12Å; N273-T280 HydrophobicContact CB-CG2 4.39Å; N273-T280 WeakPolarHBondContact CB-OG1 3.45Å; T280-I282 HydrophobicContact CG2-CG1 4.25Å | ||
| 281 | R | 96.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 33 Ų | 33 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.1 | 176.2 | -64.2 | 178.6 | 179.4 | 159.3 | 8 | 111.6 | L180 E181 G207 K208 D209 M211 | L180-R281 CarbonylContact O-C 3.6Å; L180-R281 VanDerWaalsContact O-CA 3.29Å; L180-R281 WeakPolarHBondContact O-CA 3.33Å; E181-R281 HydrophobicContact CB-CG 4.32Å; E181-R281 VanDerWaalsContact CD-NE 3.3Å; E181-R281 HydrophobicContact CG-CG 3.9Å; E181-R281 IonicContact OE1-CZ 3.71Å; E181-R281 IonicContact OE1-NE 3.69Å; E181-R281 PolarHBondContact OE1-NE 3.05Å; E181-R281 IonicContact OE1-NH2 2.74Å; E181-R281 PolarHBondContact OE1-NH2 3.46Å; E181-R281 IonicContact OE2-NE 2.69Å; G207-R281 VanDerWaalsContact CA-O 3.26Å; G207-R281 WeakPolarHBondContact CA-O 3.23Å; K208-R281 HydrophobicContact CB-CB 3.79Å; K208-R281 PolarHBondContact N-O 3.34Å; D209-R281 IonicContact OD2-NH1 3.29Å; D209-R281 PolarHBondContact OD2-NH1 2.83Å; M211-R281 HydrophobicContact CB-CB 4.34Å; M211-R281 HydrophobicContact CB-CG 4.34Å; M211-R281 PolarHBondContact O-N 2.98Å; M211-R281 VanDerWaalsContact SD-CZ 3.54Å |
| 282 | I | 96.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 113.6 | 179.6 | -58.6 | 173.8 | 0 | 0 | 0 | 109 | C172 W179 L180 L188 I190 K206 P213 V270 T280 | C172-I282 HydrophobicContact CB-CG2 4.16Å; W179-I282 CarbonylContact C-O 3.42Å; W179-I282 WeakPolarHBondContact CA-O 3.19Å; W179-I282 WeakPolarHBondContact CB-O 3.36Å; L180-I282 HydrophobicContact CB-CB 4.39Å; L180-I282 HydrophobicContact CD2-CD1 4.37Å; L180-I282 PolarHBondContact N-O 3.44Å; L180-I282 PolarHBondContact O-N 2.87Å; L188-I282 HydrophobicContact CD1-CD1 4.2Å; I190-I282 HydrophobicContact CD1-CD1 4.25Å; K206-I282 CarbonylContact O-C 3.54Å; K206-I282 WeakPolarHBondContact O-CA 3.34Å; P213-I282 HydrophobicContact CG-CD1 4.46Å; P213-I282 HydrophobicContact CG-CG1 4.35Å; V270-I282 HydrophobicContact CG2-CD1 4.31Å; T280-I282 HydrophobicContact CG2-CG1 4.25Å |
| 283 | M | 94 | Very high | 92.3 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -43.8 | 175 | -64.6 | -170.5 | 68.3 | 0 | 0 | 112.2 | C172 W179 K206 K208 | C172-M283 WeakPolarHBondContact CA-O 3.49Å; W179-M283 HydrophobicContact CB-CG 4.36Å; K206-M283 PolarHBondContact O-N 2.86Å; K208-M283 HydrophobicContact CB-CG 3.56Å; K208-M283 HydrophobicContact CB-SD 4.07Å; K208-M283 HydrophobicContact CD-CG 3.99Å; K208-M283 HydrophobicContact CD-SD 4.25Å; K208-M283 HydrophobicContact CG-CG 3.75Å; K208-M283 HydrophobicContact CG-SD 3.75Å |
| 284 | E | 92.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128.4 | -172.7 | -167.3 | -174.4 | 148.5 | 0 | 0 | 110.3 | R204 M205 K206 | R204-E284 IonicContact CZ-OE1 3.06Å; R204-E284 IonicContact CZ-OE2 2.74Å; R204-E284 IonicContact NH1-OE1 3.26Å; R204-E284 PolarHBondContact NH1-OE1 3.39Å; R204-E284 IonicContact NH1-OE2 3.63Å; R204-E284 PolarHBondContact NH1-OE2 3.28Å; R204-E284 IonicContact NH2-OE2 3.5Å; M205-E284 WeakPolarHBondContact CA-O 3.16Å; K206-E284 HydrophobicContact CB-CB 3.95Å; K206-E284 PolarHBondContact N-O 2.99Å; K206-E284 PolarHBondContact O-N 3.06Å |
| 285 | L | 94.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.4 | 168.3 | 177 | 62.7 | 0 | 0 | 0 | 108.8 | M150 F169 C172 I190 I192 R204 M205 F268 | M150-L285 HydrophobicContact CE-CB 4.35Å; M150-L285 HydrophobicContact CE-CD2 4.03Å; M150-L285 HydrophobicContact CE-CG 4.01Å; M150-L285 WeakPolarHBondContact CG-O 3.25Å; F169-L285 HydrophobicContact CE2-CD2 3.86Å; F169-L285 HydrophobicContact CZ-CD2 4.47Å; C172-L285 HydrophobicContact CB-CB 4.48Å; C172-L285 PolarHBondContact O-N 2.99Å; I190-L285 HydrophobicContact CG2-CD2 4.34Å; I192-L285 HydrophobicContact CD1-CD2 3.72Å; R204-L285 WeakPolarHBondContact O-CA 3.47Å; M205-L285 HydrophobicContact CE-CD1 3.49Å; M205-L285 VanDerWaalsContact CE-CD1 3.49Å; M205-L285 HydrophobicContact CG-CD1 3.53Å; M205-L285 HydrophobicContact SD-CD1 4.4Å; F268-L285 HydrophobicContact CE2-CD1 4.13Å |
| 286 | G | 93.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | F203 R204 | F203-G286 CarbonylContact C-O 3.59Å; F203-G286 WeakPolarHBondContact CA-O 3.48Å; F203-G286 WeakPolarHBondContact CB-O 3.27Å; R204-G286 PolarHBondContact N-O 3.21Å; R204-G286 PolarHBondContact O-N 3.03Å |
| 287 | I | 95 | Very high | 83.8 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.8 | 171.9 | -57 | 174 | 0 | 0 | 0 | 107.5 | L149 M150 I192 F194 L200 L266 F268 | L149-I287 HydrophobicContact CB-CB 4.47Å; L149-I287 HydrophobicContact CB-CG2 4.42Å; L149-I287 WeakPolarHBondContact CB-O 3.39Å; L149-I287 HydrophobicContact CD1-CG2 4.1Å; L149-I287 PolarHBondContact N-O 2.91Å; M150-I287 HydrophobicContact CG-CB 4.23Å; M150-I287 HydrophobicContact CG-CG1 4.3Å; M150-I287 HydrophobicContact SD-CB 3.97Å; M150-I287 HydrophobicContact SD-CD1 3.47Å; M150-I287 WeakPolarHBondContact SD-CD1 3.42Å; M150-I287 HydrophobicContact SD-CG1 3.57Å; M150-I287 VanDerWaalsContact SD-CG1 3.57Å; I192-I287 HydrophobicContact CD1-CD1 3.64Å; F194-I287 HydrophobicContact CE1-CD1 4.46Å; F194-I287 HydrophobicContact CZ-CD1 4.02Å; F194-I287 HydrophobicContact CZ-CG2 4.17Å; L200-I287 HydrophobicContact CD1-CG2 4.46Å; L200-I287 HydrophobicContact CD2-CG2 3.78Å; L266-I287 HydrophobicContact CD2-CD1 3.6Å; L266-I287 HydrophobicContact CD2-CG1 4.43Å; F268-I287 HydrophobicContact CE2-CD1 4.03Å; F268-I287 HydrophobicContact CE2-CG1 4.36Å |
| 288 | Y | 94.5 | Very high | 82 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.9 | -173.8 | -48.5 | -70.8 | 0 | 0 | 0 | 110.9 | C141 V143 E147 D148 H201 S202 R204 V252 | C141-Y288 WeakPolarHBondContact SG-CD1 3.11Å; V143-Y288 HydrophobicContact CB-CG 4.36Å; V143-Y288 HydrophobicContact CG2-CD1 4.26Å; V143-Y288 HydrophobicContact CG2-CD2 3.62Å; V143-Y288 HydrophobicContact CG2-CE2 4.19Å; V143-Y288 HydrophobicContact CG2-CG 3.65Å; E147-Y288 WeakPolarHBondContact O-CA 3.44Å; D148-Y288 HydrophobicContact CB-CD1 4.05Å; D148-Y288 HydrophobicContact CB-CE1 3.97Å; H201-Y288 PolarHBondContact N-O 3.23Å; S202-Y288 PolarHBondContact N-O 3.36Å; S202-Y288 VanDerWaalsContact N-O 3.16Å; S202-Y288 PolarHBondContact O-N 3.32Å; R204-Y288 HydrophobicContact CB-CE2 3.82Å; V252-Y288 HydrophobicContact CG1-CD2 4.42Å; V252-Y288 HydrophobicContact CG2-CE2 4.21Å |
| 289 | G | 93.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -162.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q146 E147 K199 | Q146-G289 VanDerWaalsContact OE1-C 3.32Å; Q146-G289 VanDerWaalsContact OE1-CA 3.31Å; E147-G289 PolarHBondContact N-O 2.68Å; E147-G289 PolarHBondContact O-N 2.91Å; K199-G289 CarbonylContact O-C 3.51Å; K199-G289 WeakPolarHBondContact O-CA 3.46Å |
| 290 | T | 90.5 | Very high | 77.1 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.7 | 176.8 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | A198 K199 V292 | A198-T290 CarbonylContact C-O 3.6Å; A198-T290 WeakPolarHBondContact CA-O 3.28Å; K199-T290 PolarHBondContact N-O 3.02Å; K199-T290 PolarHBondContact O-N 2.81Å; T290-V292 PolarHBondContact O-N 3.2Å |
| 291 | P | 87.3 | Confident | 74.5 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 134.7 | 170.3 | -24.2 | 34.7 | 0 | 0 | 0 | 111.2 | L149 Y152 M197 | L149-P291 HydrophobicContact CD2-CG 4.05Å; Y152-P291 HydrophobicContact CE2-CG 4.29Å; M197-P291 CarbonylContact O-C 3.52Å |
| 292 | V | 83.8 | Confident | 71.7 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | trans | -92 | 110 | 172.9 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | M197 K199 T290 I294 | M197-V292 HydrophobicContact CB-CB 4.04Å; M197-V292 HydrophobicContact CG-CB 3.97Å; M197-V292 HydrophobicContact CG-CG2 4.16Å; M197-V292 WeakPolarHBondContact O-CA 3.16Å; M197-V292 PolarHBondContact O-N 3.01Å; M197-V292 HydrophobicContact SD-CB 3.91Å; M197-V292 HydrophobicContact SD-CG1 3.8Å; M197-V292 HydrophobicContact SD-CG2 4.18Å; K199-V292 HydrophobicContact CD-CG2 4.27Å; K199-V292 HydrophobicContact CG-CG2 3.51Å; T290-V292 PolarHBondContact O-N 3.2Å; V292-I294 HydrophobicContact CG1-CG1 4.41Å; V292-I294 PolarHBondContact O-N 2.89Å | ||
| 293 | D | 66.9 | Low | 68.8 | Low | 47 Ų | 47 | 78.6 Ų | 78.6 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | trans | -73.1 | 98.1 | 168.9 | -69.6 | -76.8 | 0 | 0 | 0 | 109.7 | R70 R120 M295 | R70-D293 IonicContact CZ-OD1 2.86Å; R70-D293 IonicContact CZ-OD2 3.35Å; R70-D293 IonicContact NH1-OD1 3.18Å; R70-D293 PolarHBondContact NH1-OD1 3.33Å; R70-D293 IonicContact NH1-OD2 2.93Å; R70-D293 IonicContact NH2-OD1 2.72Å; R70-D293 IonicContact NH2-OD2 3.73Å; R70-D293 PolarHBondContact NH2-OD2 2.99Å; R120-D293 IonicContact CZ-OD1 2.68Å; R120-D293 IonicContact CZ-OD2 3.83Å; R120-D293 VanDerWaalsContact CZ-OD2 3.26Å; R120-D293 IonicContact NH1-OD1 3.42Å; R120-D293 IonicContact NH1-OD2 3.59Å; R120-D293 PolarHBondContact NH1-OD2 3.2Å; R120-D293 IonicContact NH2-OD1 3.51Å; R120-D293 PolarHBondContact NH2-OD1 2.91Å; R120-D293 IonicContact NH2-OD2 3.51Å; R120-D293 PolarHBondContact NH2-OD2 3.16Å; D293-M295 PolarHBondContact O-N 3.43Å | ||
| 294 | I | 56.7 | Low | 66 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | trans | -70.9 | 105.6 | 172.1 | -52.3 | 173.7 | 0 | 0 | 0 | 107.1 | M197 V292 R296 | M197-I294 HydrophobicContact CB-CD1 3.86Å; M197-I294 HydrophobicContact CB-CG1 4.19Å; M197-I294 HydrophobicContact CE-CD1 3.75Å; M197-I294 HydrophobicContact CE-CG1 4.31Å; M197-I294 HydrophobicContact SD-CD1 4.22Å; M197-I294 HydrophobicContact SD-CG1 4.25Å; V292-I294 HydrophobicContact CG1-CG1 4.41Å; V292-I294 PolarHBondContact O-N 2.89Å; I294-R296 PolarHBondContact O-N 2.74Å | ||
| 295 | M | 49.8 | Very low | 63.2 | Low | 105 Ų | 105 | 88.5 Ų | 88.5 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | trans | -60.8 | 109.9 | 159.2 | -62.9 | -168.8 | 81.4 | 0 | 0 | 106.8 | D293 M297 F300 | D293-M295 PolarHBondContact O-N 3.43Å; M295-M297 PolarHBondContact O-N 3.33Å; M295-F300 HydrophobicContact CB-CE2 4.13Å; M295-F300 HydrophobicContact CE-CE2 3.79Å; M295-F300 HydrophobicContact CE-CZ 4.19Å; M295-F300 HydrophobicContact SD-CE2 3.76Å; M295-F300 HydrophobicContact SD-CZ 4.14Å | ||
| 296 | R | 49 | Very low | 60.2 | Low | 168 Ų | 168 | 94.7 Ų | 94.7 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | trans | -58.7 | 127 | 172.1 | -82.5 | -172.3 | 161.3 | 121.5 | -2.2 | 107.5 | I294 D298 D299 | I294-R296 PolarHBondContact O-N 2.74Å; R296-D298 PolarHBondContact O-N 2.74Å; R296-D299 WeakPolarHBondContact O-CB 3.46Å; R296-D299 PolarHBondContact O-N 3.02Å | ||
| 297 | M | 43.6 | Very low | 57.3 | Low | 166 Ų | 166 | 105.1 Ų | 105.1 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -57.3 | -22.1 | 178.8 | -77.3 | 176.3 | 63.2 | 0 | 0 | 112.8 | M295 D299 F300 | M295-M297 PolarHBondContact O-N 3.33Å; M297-D299 PolarHBondContact O-N 3.38Å; M297-F300 PolarHBondContact O-N 3.12Å |
| 298 | D | 55 | Low | 54.6 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.4 | 172 | -65.2 | -35.7 | 0 | 0 | 0 | 113.5 | R296 F300 | R296-D298 PolarHBondContact O-N 2.74Å; D298-F300 VanDerWaalsContact C-N 3.31Å |
| 299 | D | 46.8 | Very low | 51.7 | Low | 65 Ų | 65 | 119.3 Ų | 119.3 | 35% | 0.348 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -80 | -11.9 | 175.9 | -68.2 | -31 | 0 | 0 | 0 | 112.2 | N62 R296 M297 K301 | N62-D299 PolarHBondContact ND2-OD2 3.13Å; R296-D299 WeakPolarHBondContact O-CB 3.46Å; R296-D299 PolarHBondContact O-N 3.02Å; M297-D299 PolarHBondContact O-N 3.38Å; D299-K301 PolarHBondContact O-N 2.81Å |
| 300 | F | 41.5 | Very low | 49.1 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 63% | 0.632 | 61% | 0.606 | S | S | * | * | trans | -92.4 | 79 | 172.8 | -88.8 | -88.5 | 0 | 0 | 0 | 111.4 | M295 M297 D298 | M295-F300 HydrophobicContact CB-CE2 4.13Å; M295-F300 HydrophobicContact CE-CE2 3.79Å; M295-F300 HydrophobicContact CE-CZ 4.19Å; M295-F300 HydrophobicContact SD-CE2 3.76Å; M295-F300 HydrophobicContact SD-CZ 4.14Å; M297-F300 PolarHBondContact O-N 3.12Å; D298-F300 VanDerWaalsContact C-N 3.31Å | ||
| 301 | K | 42 | Very low | 46.7 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | trans | -95 | 116.4 | 159.7 | -72.2 | -171.8 | -179.3 | 179.1 | 0 | 109.8 | D299 V303 | D299-K301 PolarHBondContact O-N 2.81Å; K301-V303 PolarHBondContact O-N 2.9Å | ||
| 302 | R | 38.2 | Very low | 44.2 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 66% | 0.658 | S | S | * | * | trans | -44.4 | 125.6 | 174.4 | -74.6 | 179.3 | 175.4 | 176.6 | -1.7 | 110.1 | I304 | R302-I304 VanDerWaalsContact C-N 3.25Å; R302-I304 PolarHBondContact O-N 3.3Å | ||
| 303 | V | 35.9 | Very low | 42.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -61.7 | 92.5 | 163.7 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | K301 L305 | K301-V303 PolarHBondContact O-N 2.9Å; V303-L305 PolarHBondContact O-N 3.36Å; V303-L305 VanDerWaalsContact O-N 3.13Å | ||
| 304 | I | 35.3 | Very low | 41 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | -72.1 | 105 | 165.7 | -67.3 | 174.1 | 0 | 0 | 0 | 105.1 | R302 L306 | R302-I304 VanDerWaalsContact C-N 3.25Å; R302-I304 PolarHBondContact O-N 3.3Å; I304-L306 HydrophobicContact CG2-CD1 4.12Å; I304-L306 PolarHBondContact O-N 3.35Å | ||
| 305 | L | 33.4 | Very low | 40.7 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -53.3 | 89 | 164 | -105.4 | 131.9 | 0 | 0 | 0 | 108.6 | V303 R307 | V303-L305 PolarHBondContact O-N 3.36Å; V303-L305 VanDerWaalsContact O-N 3.13Å; L305-R307 PolarHBondContact O-N 2.93Å | ||
| 306 | L | 31.4 | Very low | 40.5 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | -73.9 | 85.6 | 166 | -131.5 | 84.5 | 0 | 0 | 0 | 106.9 | I304 I308 | I304-L306 HydrophobicContact CG2-CD1 4.12Å; I304-L306 PolarHBondContact O-N 3.35Å; L306-I308 HydrophobicContact CB-CG1 4.47Å; L306-I308 HydrophobicContact CD2-CD1 3.87Å; L306-I308 HydrophobicContact CD2-CG1 3.79Å; L306-I308 HydrophobicContact CG-CG1 4.27Å; L306-I308 PolarHBondContact O-N 2.89Å | ||
| 307 | R | 32.9 | Very low | 40.1 | Very low | 219 Ų | 219 | 153 Ų | 153 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -62.6 | 84.1 | 157.7 | -85.4 | -179.8 | 156.5 | 172.8 | -5.7 | 107.4 | L305 F309 | L305-R307 PolarHBondContact O-N 2.93Å; R307-F309 PolarHBondContact O-N 3.11Å; R307-F309 VanDerWaalsContact O-N 3.14Å | ||
| 308 | I | 38.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 59% | 0.585 | 76% | 0.762 | S | S | * | * | trans | -74.7 | 100.3 | 163.7 | -63.1 | 177.3 | 0 | 0 | 0 | 106.3 | L306 F310 | L306-I308 HydrophobicContact CB-CG1 4.47Å; L306-I308 HydrophobicContact CD2-CD1 3.87Å; L306-I308 HydrophobicContact CD2-CG1 3.79Å; L306-I308 HydrophobicContact CG-CG1 4.27Å; L306-I308 PolarHBondContact O-N 2.89Å; I308-F310 HydrophobicContact CG2-CD2 3.64Å; I308-F310 HydrophobicContact CG2-CE2 3.94Å; I308-F310 PolarHBondContact O-N 3.14Å; I308-F310 VanDerWaalsContact O-N 3.11Å | ||
| 309 | F | 33.7 | Very low | 39.1 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -51.2 | 104.8 | 151.7 | -95.1 | -104.5 | 0 | 0 | 0 | 108.2 | R307 | R307-F309 PolarHBondContact O-N 3.11Å; R307-F309 VanDerWaalsContact O-N 3.14Å | ||
| 310 | F | 38.3 | Very low | 38.7 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -90.7 | 95.8 | 150.9 | -105.5 | -83.3 | 0 | 0 | 0 | 106.9 | I308 | I308-F310 HydrophobicContact CG2-CD2 3.64Å; I308-F310 HydrophobicContact CG2-CE2 3.94Å; I308-F310 PolarHBondContact O-N 3.14Å; I308-F310 VanDerWaalsContact O-N 3.11Å | ||
| 311 | A | 41.2 | Very low | 38.5 | Very low | 72 Ų | 72 | 159.3 Ų | 159.3 | 60% | 0.595 | 80% | 0.798 | S | S | * | * | trans | -57.1 | 137.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | S313 | A311-S313 PolarHBondContact O-N 3.32Š| ||
| 312 | L | 35.2 | Very low | 38.2 | Very low | 179 Ų | 179 | 158.2 Ų | 158.2 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -42.8 | 121.3 | 161.3 | -72 | 139.6 | 0 | 0 | 0 | 111.1 | ||||
| 313 | S | 41.3 | Very low | 38.2 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -148.8 | 93.1 | 153.4 | 36.6 | 0 | 0 | 0 | 0 | 106.2 | A311 | A311-S313 PolarHBondContact O-N 3.32Š| ||
| 314 | T | 41 | Very low | 38.4 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | 61.7 | 94.5 | 111.6 | 53 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 315 | F | 50.6 | Low | 38.7 | Very low | 211 Ų | 211 | 156.1 Ų | 156.1 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -112.1 | 113.8 | 135.7 | -100.1 | -91.1 | 0 | 0 | 0 | 106.9 | ||||
| 316 | V | 46.4 | Very low | 39.2 | Very low | 198 Ų | 198 | 156.9 Ų | 156.9 | 100% | 1.2 | 81% | 0.806 | S | S | * | * | trans | -54.6 | 0 | 145 | 174.9 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 316 of 316 residues in 250.4 ms
(Link to these results)