| 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 | 39.1 | Very low | 51.8 | Low | 239 Ų | 239 | 127.6 Ų | 127.6 | 100% | 1.177 | 72% | 0.715 | S | S | * | * | 0 | 120.9 | 0 | -65.5 | 163.8 | -178.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 35.8 | Very low | 54.7 | Low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | -77.1 | 123.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | N4 | A2-N4 PolarHBondContact O-N 3.35Š| ||
| 3 | L | 41.5 | Very low | 57.3 | Low | 159 Ų | 159 | 124.8 Ų | 124.8 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -72.8 | 98.7 | 172 | -70.2 | 176.4 | 0 | 0 | 0 | 108.5 | V5 | L3-V5 HydrophobicContact CB-CG2 4.24Å; L3-V5 PolarHBondContact O-N 3.09Å | ||
| 4 | N | 40.2 | Very low | 59.8 | Low | 148 Ų | 148 | 117.1 Ų | 117.1 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | trans | -69.3 | 73.5 | 168 | -176.8 | 84.3 | 0 | 0 | 0 | 109.3 | A2 A6 | A2-N4 PolarHBondContact O-N 3.35Å; N4-A6 PolarHBondContact O-N 3.28Å | ||
| 5 | V | 44.3 | Very low | 61.9 | Low | 116 Ų | 116 | 112.1 Ų | 112.1 | 70% | 0.703 | 61% | 0.609 | S | S | * | * | trans | -70.3 | 83.4 | 164.2 | -176 | 0 | 0 | 0 | 0 | 106.2 | L3 | L3-V5 HydrophobicContact CB-CG2 4.24Å; L3-V5 PolarHBondContact O-N 3.09Å | ||
| 6 | A | 37.9 | Very low | 63.8 | Low | 56 Ų | 56 | 105.6 Ų | 105.6 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | trans | -52.2 | 130.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N4 V8 | N4-A6 PolarHBondContact O-N 3.28Å; A6-V8 PolarHBondContact O-N 3.32Å | ||
| 7 | P | 51.6 | Low | 65.5 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | trans | -59.7 | 111.5 | -176.7 | 23.1 | -32.9 | 0 | 0 | 0 | 108.1 | R9 | P7-R9 VanDerWaalsContact C-N 3.32Å; P7-R9 PolarHBondContact O-N 3.33Å | ||
| 8 | V | 57.4 | Low | 67 | Low | 124 Ų | 124 | 97.6 Ų | 97.6 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | trans | -64.9 | 96.9 | -176.6 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | A6 D10 | A6-V8 PolarHBondContact O-N 3.32Å; V8-D10 PolarHBondContact O-N 3.36Å; V8-D10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | R | 68.6 | Low | 68.5 | Low | 215 Ų | 215 | 92.7 Ų | 92.7 | 81% | 0.811 | 50% | 0.501 | S | S | * | . | trans | -63.2 | 116.6 | -179.7 | -61.4 | -175.8 | -175.8 | -175.3 | 1.6 | 106.9 | P7 T11 | P7-R9 VanDerWaalsContact C-N 3.32Å; P7-R9 PolarHBondContact O-N 3.33Å; R9-T11 VanDerWaalsContact C-N 3.25Å; R9-T11 PolarHBondContact O-N 2.93Å | ||
| 10 | D | 70.8 | Confident | 69.6 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | trans | -61.1 | 82.2 | 178.6 | -81.7 | -64.6 | 0 | 0 | 0 | 111.1 | V8 K12 W13 Q90 | V8-D10 PolarHBondContact O-N 3.36Å; V8-D10 VanDerWaalsContact O-N 3.1Å; D10-K12 PolarHBondContact O-N 2.94Å; D10-K12 VanDerWaalsContact O-N 3.12Å; D10-W13 PolarHBondContact O-NE1 2.58Å; D10-Q90 PolarHBondContact OD2-NE2 3.22Å | ||
| 11 | T | 82.8 | Confident | 70.8 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -65.4 | -13.7 | 176.3 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | R9 W13 L14 T15 | R9-T11 VanDerWaalsContact C-N 3.25Å; R9-T11 PolarHBondContact O-N 2.93Å; T11-W13 VanDerWaalsContact C-N 3.34Å; T11-W13 PolarHBondContact O-N 3.48Å; T11-L14 WeakPolarHBondContact O-CA 3.4Å; T11-L14 WeakPolarHBondContact O-CB 3.23Å; T11-L14 PolarHBondContact O-N 3.44Å; T11-T15 PolarHBondContact O-N 2.95Å |
| 12 | K | 87 | Confident | 73.3 | Confident | 166 Ų | 166 | 90 Ų | 90 | 72% | 0.722 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -55.2 | -42.3 | -179.4 | -163.9 | 174.1 | -175 | 177 | 0 | 112.9 | D10 L14 T15 | D10-K12 PolarHBondContact O-N 2.94Å; D10-K12 VanDerWaalsContact O-N 3.12Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L14 PolarHBondContact O-N 3.13Å; K12-T15 PolarHBondContact O-N 3.06Å; K12-T15 PolarHBondContact O-OG1 3.36Å |
| 13 | W | 88.3 | Confident | 75.9 | Confident | 53 Ų | 53 | 90.9 Ų | 90.9 | 20% | 0.201 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -75.2 | -17.5 | 177.7 | 73.5 | -96.8 | 0 | 0 | 0 | 113.6 | D10 T11 T15 F54 L57 L79 G83 N86 | D10-W13 PolarHBondContact O-NE1 2.58Å; T11-W13 VanDerWaalsContact C-N 3.34Å; T11-W13 PolarHBondContact O-N 3.48Å; W13-T15 VanDerWaalsContact C-N 3.28Å; W13-F54 AromaticContact CH2-CD2 3.81Å; W13-F54 HydrophobicContact CH2-CD2 3.81Å; W13-F54 AromaticContact CH2-CE2 3.87Å; W13-F54 HydrophobicContact CH2-CE2 3.87Å; W13-F54 AromaticContact CZ2-CD2 3.91Å; W13-F54 HydrophobicContact CZ2-CD2 3.91Å; W13-F54 AromaticContact CZ2-CE2 3.85Å; W13-F54 HydrophobicContact CZ2-CE2 3.85Å; W13-L57 HydrophobicContact CH2-CD1 4.39Å; W13-L57 HydrophobicContact CZ3-CD1 4.07Å; W13-L79 WeakPolarHBondContact O-CD2 3.19Å; W13-G83 VanDerWaalsContact CD2-CA 3.45Å; W13-N86 HydrophobicContact CB-CB 3.9Å; W13-N86 HydrophobicContact CG-CB 4.21Å |
| 14 | L | 91.6 | Very high | 78.2 | Confident | 17 Ų | 17 | 93.1 Ų | 93.1 | 9% | 0.089 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -82.7 | -1.2 | 172.5 | -70.8 | 166.9 | 0 | 0 | 0 | 113 | T11 K12 I51 A52 F54 L57 | T11-L14 WeakPolarHBondContact O-CA 3.4Å; T11-L14 WeakPolarHBondContact O-CB 3.23Å; T11-L14 PolarHBondContact O-N 3.44Å; K12-L14 VanDerWaalsContact C-N 3.29Å; K12-L14 PolarHBondContact O-N 3.13Å; L14-I51 HydrophobicContact CB-CG2 4.22Å; L14-A52 PolarHBondContact O-N 3.4Å; L14-F54 HydrophobicContact CD1-CB 4.2Å; L14-F54 HydrophobicContact CD1-CD2 4.32Å; L14-F54 HydrophobicContact CD2-CB 4.38Å; L14-F54 HydrophobicContact CD2-CD2 4.28Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å |
| 15 | T | 91.1 | Very high | 80.6 | Confident | 42 Ų | 42 | 89.6 Ų | 89.6 | 26% | 0.258 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.7 | 178.5 | 65 | 0 | 0 | 0 | 0 | 112.4 | T11 K12 W13 V50 I51 | T11-T15 PolarHBondContact O-N 2.95Å; K12-T15 PolarHBondContact O-N 3.06Å; K12-T15 PolarHBondContact O-OG1 3.36Å; W13-T15 VanDerWaalsContact C-N 3.28Å; T15-V50 CarbonylContact C-O 3.38Å; T15-V50 VanDerWaalsContact CA-O 3.29Å; T15-V50 WeakPolarHBondContact CA-O 3.46Å; T15-I51 HydrophobicContact CG2-CG1 4.24Å |
| 16 | L | 92.4 | Very high | 83 | Confident | 8 Ų | 8 | 88.6 Ų | 88.6 | 4% | 0.042 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 154.3 | 167.1 | -73.7 | 175.9 | 0 | 0 | 0 | 110.3 | A37 R49 V50 L69 P71 L75 L79 | L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.33Å; L16-R49 CarbonylContact O-C 3.58Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.18Å; L16-V50 HydrophobicContact CB-CG2 4.43Å; L16-V50 PolarHBondContact N-O 3.05Å; L16-V50 PolarHBondContact O-N 3.49Å; L16-L69 HydrophobicContact CD1-CD2 4.29Å; L16-P71 HydrophobicContact CD1-CB 3.91Å; L16-L75 HydrophobicContact CD1-CB 4.05Å; L16-L75 HydrophobicContact CD1-CD1 4.3Å; L16-L75 HydrophobicContact CD2-CD2 4.43Å; L16-L79 HydrophobicContact CD1-CD1 3.74Å; L16-L79 HydrophobicContact CD1-CG 4.39Å; L16-L79 HydrophobicContact CD2-CD1 4.13Å; L16-L79 HydrophobicContact CD2-CD2 3.92Å; L16-L79 HydrophobicContact CD2-CG 3.86Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 4.02Å; L16-L79 HydrophobicContact CG-CG 4.07Å |
| 17 | E | 92.8 | Very high | 85.5 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.2 | 173.4 | -160.9 | 163.5 | 138 | 0 | 0 | 110.5 | F36 A37 R49 | E17-F36 HydrophobicContact CB-CD1 4.17Å; E17-A37 PolarHBondContact O-N 3.3Å; E17-R49 IonicContact OE2-CZ 3.84Å; E17-R49 IonicContact OE2-NH1 3.17Å; E17-R49 PolarHBondContact OE2-NH1 3.37Å; E17-R49 IonicContact OE2-NH2 3.75Å; E17-R49 PolarHBondContact OE2-NH2 2.87Å |
| 18 | V | 93.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 87.9 Ų | 87.9 | 2% | 0.024 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 143.9 | -179.5 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | R20 Q23 P39 V45 G48 V50 | V18-R20 PolarHBondContact O-N 3.39Å; V18-Q23 HydrophobicContact CG1-CB 4.27Å; V18-P39 HydrophobicContact CG1-CG 4.13Å; V18-P39 HydrophobicContact CG2-CG 3.96Å; V18-V45 HydrophobicContact CG2-CG1 3.8Å; V18-V45 HydrophobicContact CG2-CG2 4.44Å; V18-G48 WeakPolarHBondContact CB-O 3.33Å; V18-G48 PolarHBondContact N-O 3.47Å; V18-V50 HydrophobicContact CG2-CG1 3.32Å |
| 19 | C | 93.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 88.7 Ų | 88.7 | 3% | 0.027 | 43% | 0.431 | C | S | . | . | trans | -63.5 | 111.5 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | Q21 F22 Q23 C27 C34 F36 A37 H38 | C19-Q21 PolarHBondContact O-N 3.39Å; C19-Q21 VanDerWaalsContact O-N 3.14Å; C19-F22 HydrophobicContact CB-CB 3.71Å; C19-F22 WeakPolarHBondContact O-CB 3.46Å; C19-F22 PolarHBondContact O-N 3.06Å; C19-Q23 PolarHBondContact O-N 2.8Å; C19-C27 VanDerWaalsContact SG-SG 3.63Å; C19-C34 VanDerWaalsContact SG-SG 3.66Å; C19-F36 VanDerWaalsContact CA-CB 3.47Å; C19-F36 HydrophobicContact CB-CB 3.7Å; C19-A37 PolarHBondContact N-O 3.15Å; C19-H38 WeakPolarHBondContact CB-CD2 3.39Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.22Å | ||
| 20 | R | 91.8 | Very high | 90 | Very high | 180 Ų | 180 | 80.8 Ų | 80.8 | 68% | 0.679 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.3 | 178.5 | -69.3 | -175.8 | 176.8 | -160.7 | -3.1 | 114 | V18 R24 | V18-R20 PolarHBondContact O-N 3.39Å; R20-R24 WeakPolarHBondContact O-CD 3.05Å; R20-R24 VanDerWaalsContact O-CG 3.3Å; R20-R24 WeakPolarHBondContact O-CG 3.29Å |
| 21 | Q | 93.6 | Very high | 90.8 | Very high | 100 Ų | 100 | 79.9 Ų | 79.9 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -42.2 | 172.1 | -67.2 | 175.3 | -24.9 | 0 | 0 | 111.1 | C19 Q23 R24 G25 T26 C27 | C19-Q21 PolarHBondContact O-N 3.39Å; C19-Q21 VanDerWaalsContact O-N 3.14Å; Q21-Q23 VanDerWaalsContact C-N 3.35Å; Q21-Q23 PolarHBondContact O-N 3.45Å; Q21-R24 CarbonylContact O-C 3.57Å; Q21-R24 WeakPolarHBondContact O-CA 3.26Å; Q21-R24 WeakPolarHBondContact O-CB 3.46Å; Q21-R24 PolarHBondContact O-N 3.25Å; Q21-G25 PolarHBondContact O-N 3.15Å; Q21-T26 PolarHBondContact O-N 3.2Å; Q21-T26 PolarHBondContact O-OG1 2.78Å; Q21-C27 HydrophobicContact CB-CB 3.65Å; Q21-C27 PolarHBondContact O-N 2.98Å |
| 22 | F | 92.4 | Very high | 91.1 | Very high | 89 Ų | 89 | 82.8 Ų | 82.8 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -63 | -42.5 | 176.9 | -178.9 | -100.7 | 0 | 0 | 0 | 111.3 | C19 R24 G25 C27 H38 | C19-F22 HydrophobicContact CB-CB 3.71Å; C19-F22 WeakPolarHBondContact O-CB 3.46Å; C19-F22 PolarHBondContact O-N 3.06Å; F22-R24 PolarHBondContact O-N 3.27Å; F22-G25 PolarHBondContact O-N 3.34Å; F22-C27 HydrophobicContact CB-CB 4.12Å; F22-H38 VanDerWaalsContact CB-CD2 3.43Å; F22-H38 WeakPolarHBondContact CB-CD2 3.43Å; F22-H38 HydrophobicContact CD1-CB 4.14Å; F22-H38 HydrophobicContact CD2-CB 4.02Å; F22-H38 AromaticContact CD2-CD2 3.71Å; F22-H38 AromaticContact CD2-CG 3.63Å; F22-H38 AromaticContact CD2-ND1 3.92Å; F22-H38 HydrophobicContact CE1-CB 4.01Å; F22-H38 HydrophobicContact CE2-CB 3.89Å; F22-H38 AromaticContact CE2-CG 3.98Å; F22-H38 HydrophobicContact CG-CB 4.14Å; F22-H38 AromaticContact CG-CD2 3.46Å; F22-H38 VanDerWaalsContact CG-CD2 3.46Å; F22-H38 WeakPolarHBondContact CG-CD2 3.5Å; F22-H38 AromaticContact CG-CG 3.79Å; F22-H38 AromaticContact CG-NE2 3.97Å; F22-H38 HydrophobicContact CZ-CB 3.89Å |
| 23 | Q | 90.1 | Very high | 91.2 | Very high | 120 Ų | 120 | 81.3 Ų | 81.3 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -62.9 | -10.8 | 172.8 | -159.8 | 175.7 | 24 | 0 | 0 | 113.7 | V18 C19 Q21 | V18-Q23 HydrophobicContact CG1-CB 4.27Å; C19-Q23 PolarHBondContact O-N 2.8Å; Q21-Q23 VanDerWaalsContact C-N 3.35Å; Q21-Q23 PolarHBondContact O-N 3.45Å |
| 24 | R | 90.9 | Very high | 91.4 | Very high | 207 Ų | 207 | 79.1 Ų | 79.1 | 78% | 0.781 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -111.2 | 2.1 | 174.1 | -69.3 | 174.3 | 178.2 | -96 | -1.9 | 113.3 | R20 Q21 F22 T26 | R20-R24 WeakPolarHBondContact O-CD 3.05Å; R20-R24 VanDerWaalsContact O-CG 3.3Å; R20-R24 WeakPolarHBondContact O-CG 3.29Å; Q21-R24 CarbonylContact O-C 3.57Å; Q21-R24 WeakPolarHBondContact O-CA 3.26Å; Q21-R24 WeakPolarHBondContact O-CB 3.46Å; Q21-R24 PolarHBondContact O-N 3.25Å; F22-R24 PolarHBondContact O-N 3.27Å; R24-T26 VanDerWaalsContact C-N 3.25Å; R24-T26 PolarHBondContact O-N 3.43Å |
| 25 | G | 89.8 | Confident | 91.3 | Very high | 73 Ų | 73 | 84.8 Ų | 84.8 | 75% | 0.753 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 12.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q21 F22 | Q21-G25 PolarHBondContact O-N 3.15Å; F22-G25 PolarHBondContact O-N 3.34Å |
| 26 | T | 93.6 | Very high | 91.4 | Very high | 96 Ų | 96 | 86.3 Ų | 86.3 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | trans | -113.5 | 13.6 | -172.6 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | Q21 R24 | Q21-T26 PolarHBondContact O-N 3.2Å; Q21-T26 PolarHBondContact O-OG1 2.78Å; R24-T26 VanDerWaalsContact C-N 3.25Å; R24-T26 PolarHBondContact O-N 3.43Å | ||
| 27 | C | 92.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 86 Ų | 86 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | trans | -88.5 | 124.6 | 172.9 | -155.6 | 0 | 0 | 0 | 0 | 110.7 | C19 Q21 F22 | C19-C27 VanDerWaalsContact SG-SG 3.63Å; Q21-C27 HydrophobicContact CB-CB 3.65Å; Q21-C27 PolarHBondContact O-N 2.98Å; F22-C27 HydrophobicContact CB-CB 4.12Å | ||
| 28 | S | 90.9 | Very high | 91.3 | Very high | 125 Ų | 125 | 84 Ų | 84 | 87% | 0.874 | 42% | 0.416 | S | S | * | . | trans | -97.3 | 4.2 | 176 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 29 | R | 91.9 | Very high | 91.1 | Very high | 142 Ų | 142 | 84.4 Ų | 84.4 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -91.3 | 148.2 | 178 | -64.7 | 177.1 | 177.7 | -107.3 | -8.9 | 110.6 | E33 C34 H38 | R29-E33 HydrophobicContact CB-CB 4.47Å; R29-E33 PolarHBondContact NH1-O 3.2Å; R29-C34 HydrophobicContact CB-CB 4.34Å; R29-H38 PolarHBondContact O-CE1 3.42Å |
| 30 | S | 89.3 | Confident | 90.6 | Very high | 49 Ų | 49 | 87.3 Ų | 87.3 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | trans | -68 | 171.6 | 165.8 | 79.8 | 0 | 0 | 0 | 0 | 111.1 | E32 E33 C34 | S30-E32 WeakPolarHBondContact CB-OE2 3.41Å; S30-E32 PolarHBondContact OG-N 2.7Å; S30-E32 PolarHBondContact OG-OE2 2.8Å; S30-E33 PolarHBondContact OG-N 3.37Å; S30-C34 VanDerWaalsContact O-CB 3.26Å; S30-C34 WeakPolarHBondContact O-CB 3.43Å; S30-C34 PolarHBondContact O-N 3.04Å; S30-C34 VanDerWaalsContact O-N 3.13Å | ||
| 31 | D | 87.5 | Confident | 90 | Very high | 41 Ų | 41 | 89.5 Ų | 89.5 | 22% | 0.219 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -33.3 | 176.2 | -175.9 | -111.9 | 0 | 0 | 0 | 111.6 | E33 C34 H38 P72 | D31-E33 PolarHBondContact O-N 3.44Å; D31-C34 PolarHBondContact O-N 3.07Å; D31-H38 HydrophobicContact CB-CB 4.3Å; D31-H38 WeakPolarHBondContact OD2-CB 3.28Å; D31-H38 IonicContact OD2-CG 2.76Å; D31-H38 PolarHBondContact OD2-N 3.42Å; D31-H38 VanDerWaalsContact OD2-N 3.11Å; D31-P72 WeakPolarHBondContact OD1-CD 3.47Å; D31-P72 VanDerWaalsContact OD1-CG 3.29Å; D31-P72 WeakPolarHBondContact OD1-CG 3.49Å |
| 32 | E | 88.4 | Confident | 89.2 | Confident | 133 Ų | 133 | 88.4 Ų | 88.4 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -37.1 | 176.9 | -50.1 | 89.5 | 161.2 | 0 | 0 | 113 | S30 | S30-E32 WeakPolarHBondContact CB-OE2 3.41Å; S30-E32 PolarHBondContact OG-N 2.7Å; S30-E32 PolarHBondContact OG-OE2 2.8Å |
| 33 | E | 89.6 | Confident | 88.7 | Confident | 136 Ų | 136 | 84.8 Ų | 84.8 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -10 | 179.9 | -66.5 | -169.9 | 175.8 | 0 | 0 | 114.2 | R29 S30 D31 | R29-E33 HydrophobicContact CB-CB 4.47Å; R29-E33 PolarHBondContact NH1-O 3.2Å; S30-E33 PolarHBondContact OG-N 3.37Å; D31-E33 PolarHBondContact O-N 3.44Å |
| 34 | C | 91.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 85.4 Ų | 85.4 | 4% | 0.041 | 44% | 0.444 | C | S | . | . | trans | -82.7 | 132.8 | -178.3 | -161.7 | 0 | 0 | 0 | 0 | 111.4 | C19 R29 S30 D31 F36 H38 | C19-C34 VanDerWaalsContact SG-SG 3.66Å; R29-C34 HydrophobicContact CB-CB 4.34Å; S30-C34 VanDerWaalsContact O-CB 3.26Å; S30-C34 WeakPolarHBondContact O-CB 3.43Å; S30-C34 PolarHBondContact O-N 3.04Å; S30-C34 VanDerWaalsContact O-N 3.13Å; D31-C34 PolarHBondContact O-N 3.07Å; C34-F36 WeakPolarHBondContact CB-O 3.39Å; C34-F36 PolarHBondContact O-N 2.99Å; C34-F36 VanDerWaalsContact O-N 3.15Å; C34-F36 PolarHBondContact SG-O 3.11Å; C34-H38 PolarHBondContact SG-NE2 2.99Å | ||
| 35 | K | 89.9 | Confident | 88 | Confident | 136 Ų | 136 | 78.6 Ų | 78.6 | 59% | 0.591 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -68 | -9.1 | 173.8 | -180 | 174.3 | 177.9 | -55.9 | 0 | 112.9 | ||
| 36 | F | 92.2 | Very high | 87.7 | Confident | 75 Ų | 75 | 81.6 Ų | 81.6 | 33% | 0.329 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -138 | 150.7 | -172.7 | -60.6 | -83.6 | 0 | 0 | 0 | 110.1 | E17 C19 C34 | E17-F36 HydrophobicContact CB-CD1 4.17Å; C19-F36 VanDerWaalsContact CA-CB 3.47Å; C19-F36 HydrophobicContact CB-CB 3.7Å; C34-F36 WeakPolarHBondContact CB-O 3.39Å; C34-F36 PolarHBondContact O-N 2.99Å; C34-F36 VanDerWaalsContact O-N 3.15Å; C34-F36 PolarHBondContact SG-O 3.11Å |
| 37 | A | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 140.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L16 E17 C19 P39 V50 L69 | L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.33Å; E17-A37 PolarHBondContact O-N 3.3Å; C19-A37 PolarHBondContact N-O 3.15Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å; A37-V50 HydrophobicContact CB-CG2 4.46Å; A37-L69 HydrophobicContact CB-CD2 3.5Å; A37-L69 VanDerWaalsContact CB-CD2 3.5Å |
| 38 | H | 91.8 | Very high | 87.1 | Confident | 21 Ų | 21 | 84 Ų | 84 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | trans | -104.2 | 87 | 167 | -64.6 | 168 | 0 | 0 | 0 | 110.8 | C19 F22 R29 D31 C34 | C19-H38 WeakPolarHBondContact CB-CD2 3.39Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.22Å; F22-H38 VanDerWaalsContact CB-CD2 3.43Å; F22-H38 WeakPolarHBondContact CB-CD2 3.43Å; F22-H38 HydrophobicContact CD1-CB 4.14Å; F22-H38 HydrophobicContact CD2-CB 4.02Å; F22-H38 AromaticContact CD2-CD2 3.71Å; F22-H38 AromaticContact CD2-CG 3.63Å; F22-H38 AromaticContact CD2-ND1 3.92Å; F22-H38 HydrophobicContact CE1-CB 4.01Å; F22-H38 HydrophobicContact CE2-CB 3.89Å; F22-H38 AromaticContact CE2-CG 3.98Å; F22-H38 HydrophobicContact CG-CB 4.14Å; F22-H38 AromaticContact CG-CD2 3.46Å; F22-H38 VanDerWaalsContact CG-CD2 3.46Å; F22-H38 WeakPolarHBondContact CG-CD2 3.5Å; F22-H38 AromaticContact CG-CG 3.79Å; F22-H38 AromaticContact CG-NE2 3.97Å; F22-H38 HydrophobicContact CZ-CB 3.89Å; R29-H38 PolarHBondContact O-CE1 3.42Å; D31-H38 HydrophobicContact CB-CB 4.3Å; D31-H38 WeakPolarHBondContact OD2-CB 3.28Å; D31-H38 IonicContact OD2-CG 2.76Å; D31-H38 PolarHBondContact OD2-N 3.42Å; D31-H38 VanDerWaalsContact OD2-N 3.11Å; C34-H38 PolarHBondContact SG-NE2 2.99Å | ||
| 39 | P | 89.3 | Confident | 87.1 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | trans | -67 | 136 | -178.6 | 25.5 | -33.2 | 0 | 0 | 0 | 112.7 | V18 A37 C43 V45 V50 | V18-P39 HydrophobicContact CG1-CG 4.13Å; V18-P39 HydrophobicContact CG2-CG 3.96Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-C43 HydrophobicContact CB-CB 4Å; P39-V45 HydrophobicContact CB-CG2 4.07Å; P39-V45 HydrophobicContact CG-CG2 3.74Å; P39-V50 HydrophobicContact CB-CG1 4.01Å; P39-V50 HydrophobicContact CG-CG1 4.05Å | ||
| 40 | P | 84.9 | Confident | 87.1 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | trans | -66.8 | 158.6 | 167.2 | 30.6 | -35.4 | 0 | 0 | 0 | 110.4 | S42 C43 | P40-S42 PolarHBondContact O-N 3.02Å; P40-C43 HydrophobicContact CG-CB 4.29Å; P40-C43 PolarHBondContact O-N 3.25Å | ||
| 41 | K | 78.3 | Confident | 87.2 | Confident | 226 Ų | 226 | 76.7 Ų | 76.7 | 98% | 0.983 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -13.8 | -175.6 | -60.7 | 179.5 | -177.7 | 176.9 | 0 | 114.9 | ||
| 42 | S | 76.4 | Confident | 87.4 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 54% | 0.538 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -17.2 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | P40 | P40-S42 PolarHBondContact O-N 3.02Š|
| 43 | C | 82.8 | Confident | 87.6 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 9% | 0.088 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81 | 135.4 | -179.1 | -82.4 | 0 | 0 | 0 | 0 | 111.6 | P39 P40 V45 | P39-C43 HydrophobicContact CB-CB 4Å; P40-C43 HydrophobicContact CG-CB 4.29Å; P40-C43 PolarHBondContact O-N 3.25Å; C43-V45 PolarHBondContact O-N 3.4Å |
| 44 | Q | 79.6 | Confident | 87.6 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | trans | -72.8 | 117.1 | 174.9 | -67.8 | -176.9 | -43.2 | 0 | 0 | 110 | ||||
| 45 | V | 86.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 69.9 Ų | 69.9 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.2 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V18 P39 C43 R49 V50 | V18-V45 HydrophobicContact CG2-CG1 3.8Å; V18-V45 HydrophobicContact CG2-CG2 4.44Å; P39-V45 HydrophobicContact CB-CG2 4.07Å; P39-V45 HydrophobicContact CG-CG2 3.74Å; C43-V45 PolarHBondContact O-N 3.4Å; V45-R49 CarbonylContact C-O 3.57Å; V45-R49 WeakPolarHBondContact CA-O 3.34Å; V45-V50 HydrophobicContact CB-CG1 4.45Å; V45-V50 HydrophobicContact CG1-CG1 4.39Å; V45-V50 HydrophobicContact CG2-CG1 3.92Å |
| 46 | E | 82.4 | Confident | 87.6 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 123 | -177.7 | -174.8 | 176.9 | 179.4 | 0 | 0 | 109.6 | G48 R49 | E46-G48 PolarHBondContact O-N 3.28Å; E46-G48 VanDerWaalsContact O-N 3.09Å; E46-R49 PolarHBondContact N-O 3.02Å; E46-R49 WeakPolarHBondContact O-CA 3.4Å; E46-R49 PolarHBondContact O-N 2.97Å |
| 47 | N | 86.1 | Confident | 87.5 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 81% | 0.807 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 33.2 | -178.9 | -68.2 | -70.4 | 0 | 0 | 0 | 114.6 | R49 | N47-R49 VanDerWaalsContact C-N 3.28Å; N47-R49 PolarHBondContact O-N 2.96Å |
| 48 | G | 87.4 | Confident | 87.4 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 13.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V18 E46 | V18-G48 WeakPolarHBondContact CB-O 3.33Å; V18-G48 PolarHBondContact N-O 3.47Å; E46-G48 PolarHBondContact O-N 3.28Å; E46-G48 VanDerWaalsContact O-N 3.09Å |
| 49 | R | 90.9 | Very high | 87.2 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 159.4 | 174.1 | -58.3 | -172.3 | -175.2 | -66.2 | -18.6 | 111 | L16 E17 V45 E46 N47 | L16-R49 CarbonylContact O-C 3.58Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.18Å; E17-R49 IonicContact OE2-CZ 3.84Å; E17-R49 IonicContact OE2-NH1 3.17Å; E17-R49 PolarHBondContact OE2-NH1 3.37Å; E17-R49 IonicContact OE2-NH2 3.75Å; E17-R49 PolarHBondContact OE2-NH2 2.87Å; V45-R49 CarbonylContact C-O 3.57Å; V45-R49 WeakPolarHBondContact CA-O 3.34Å; E46-R49 PolarHBondContact N-O 3.02Å; E46-R49 WeakPolarHBondContact O-CA 3.4Å; E46-R49 PolarHBondContact O-N 2.97Å; N47-R49 VanDerWaalsContact C-N 3.28Å; N47-R49 PolarHBondContact O-N 2.96Å |
| 50 | V | 91.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.6 | 175.3 | -36.2 | 0 | 0 | 0 | 0 | 109.5 | T15 L16 V18 A37 P39 V45 L69 | T15-V50 CarbonylContact C-O 3.38Å; T15-V50 VanDerWaalsContact CA-O 3.29Å; T15-V50 WeakPolarHBondContact CA-O 3.46Å; L16-V50 HydrophobicContact CB-CG2 4.43Å; L16-V50 PolarHBondContact N-O 3.05Å; L16-V50 PolarHBondContact O-N 3.49Å; V18-V50 HydrophobicContact CG2-CG1 3.32Å; A37-V50 HydrophobicContact CB-CG2 4.46Å; P39-V50 HydrophobicContact CB-CG1 4.01Å; P39-V50 HydrophobicContact CG-CG1 4.05Å; V45-V50 HydrophobicContact CB-CG1 4.45Å; V45-V50 HydrophobicContact CG1-CG1 4.39Å; V45-V50 HydrophobicContact CG2-CG1 3.92Å; V50-L69 HydrophobicContact CG2-CB 3.87Å; V50-L69 HydrophobicContact CG2-CD2 3.72Å; V50-L69 HydrophobicContact CG2-CG 4.46Å |
| 51 | I | 91.4 | Very high | 87.5 | Confident | 53 Ų | 53 | 76.2 Ų | 76.2 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.1 | 173.9 | -60.6 | 168.2 | 0 | 0 | 0 | 108.6 | L14 T15 Y68 L69 | L14-I51 HydrophobicContact CB-CG2 4.22Å; T15-I51 HydrophobicContact CG2-CG1 4.24Å; I51-Y68 HydrophobicContact CB-CD1 3.84Å; I51-Y68 HydrophobicContact CB-CE1 4.16Å; I51-Y68 HydrophobicContact CG2-CD1 3.65Å; I51-Y68 HydrophobicContact CG2-CE1 3.84Å; I51-Y68 WeakPolarHBondContact O-CB 3.47Å; I51-L69 PolarHBondContact O-N 3.11Å |
| 52 | A | 91.8 | Very high | 88 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.008 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 149 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L14 F54 L69 P71 L79 | L14-A52 PolarHBondContact O-N 3.4Å; A52-F54 PolarHBondContact O-N 3.28Å; A52-L69 CarbonylContact C-O 3.41Å; A52-L69 WeakPolarHBondContact CA-O 3.41Å; A52-P71 HydrophobicContact CB-CG 4.22Å; A52-L79 HydrophobicContact CB-CD1 3.42Å; A52-L79 VanDerWaalsContact CB-CD1 3.42Å |
| 53 | C | 91.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | trans | -71.8 | 111.6 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | D55 S56 L57 C66 L69 | C53-D55 PolarHBondContact O-N 3.05Å; C53-S56 WeakPolarHBondContact CB-OG 3.11Å; C53-S56 WeakPolarHBondContact O-CB 3.3Å; C53-S56 PolarHBondContact O-N 2.76Å; C53-S56 PolarHBondContact O-OG 3.16Å; C53-S56 PolarHBondContact SG-N 3.27Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; C53-L57 PolarHBondContact O-N 3.4Å; C53-L57 VanDerWaalsContact O-N 3.15Å; C53-C66 VanDerWaalsContact SG-SG 3.67Å; C53-L69 PolarHBondContact N-O 3.14Å | ||
| 54 | F | 90.5 | Very high | 88.3 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 38% | 0.382 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -53.7 | -42 | 176 | -179.5 | -92.4 | 0 | 0 | 0 | 112.2 | W13 L14 A52 S56 L57 K58 | W13-F54 AromaticContact CH2-CD2 3.81Å; W13-F54 HydrophobicContact CH2-CD2 3.81Å; W13-F54 AromaticContact CH2-CE2 3.87Å; W13-F54 HydrophobicContact CH2-CE2 3.87Å; W13-F54 AromaticContact CZ2-CD2 3.91Å; W13-F54 HydrophobicContact CZ2-CD2 3.91Å; W13-F54 AromaticContact CZ2-CE2 3.85Å; W13-F54 HydrophobicContact CZ2-CE2 3.85Å; L14-F54 HydrophobicContact CD1-CB 4.2Å; L14-F54 HydrophobicContact CD1-CD2 4.32Å; L14-F54 HydrophobicContact CD2-CB 4.38Å; L14-F54 HydrophobicContact CD2-CD2 4.28Å; A52-F54 PolarHBondContact O-N 3.28Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 3.01Å; F54-L57 WeakPolarHBondContact O-CB 3.41Å; F54-L57 PolarHBondContact O-N 2.82Å; F54-K58 HydrophobicContact CD1-CG 4.32Å; F54-K58 HydrophobicContact CE1-CG 3.92Å; F54-K58 HydrophobicContact CZ-CG 4.2Å; F54-K58 PolarHBondContact O-N 2.92Å |
| 55 | D | 91.6 | Very high | 88.4 | Confident | 81 Ų | 81 | 84.8 Ų | 84.8 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.3 | -28.4 | 179.6 | -56.9 | -76 | 0 | 0 | 0 | 112.6 | C53 K58 G59 R60 C61 | C53-D55 PolarHBondContact O-N 3.05Å; D55-K58 CarbonylContact O-C 3.56Å; D55-K58 PolarHBondContact O-N 3.22Å; D55-G59 PolarHBondContact O-N 3.38Å; D55-R60 HydrophobicContact CB-CB 4.45Å; D55-R60 PolarHBondContact O-N 2.89Å; D55-C61 HydrophobicContact CB-CB 3.89Å; D55-C61 PolarHBondContact O-N 2.84Å |
| 56 | S | 90.4 | Very high | 88.4 | Confident | 21 Ų | 21 | 82.5 Ų | 82.5 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 172.1 | 78.5 | 0 | 0 | 0 | 0 | 112.2 | C53 F54 K58 G59 H70 P71 K76 | C53-S56 WeakPolarHBondContact CB-OG 3.11Å; C53-S56 WeakPolarHBondContact O-CB 3.3Å; C53-S56 PolarHBondContact O-N 2.76Å; C53-S56 PolarHBondContact O-OG 3.16Å; C53-S56 PolarHBondContact SG-N 3.27Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 3.01Å; S56-K58 PolarHBondContact O-N 2.97Å; S56-G59 PolarHBondContact O-N 2.89Å; S56-H70 VanDerWaalsContact CB-CD2 3.46Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; S56-P71 WeakPolarHBondContact OG-CD 3.07Å; S56-K76 PolarHBondContact O-NZ 2.98Å |
| 57 | L | 90.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 81.2 Ų | 81.2 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 170.4 | -59.6 | 175.3 | 0 | 0 | 0 | 110.1 | W13 L14 C53 F54 P71 K76 L79 | W13-L57 HydrophobicContact CH2-CD1 4.39Å; W13-L57 HydrophobicContact CZ3-CD1 4.07Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å; C53-L57 PolarHBondContact O-N 3.4Å; C53-L57 VanDerWaalsContact O-N 3.15Å; F54-L57 WeakPolarHBondContact O-CB 3.41Å; F54-L57 PolarHBondContact O-N 2.82Å; L57-P71 HydrophobicContact CD2-CG 3.7Å; L57-K76 HydrophobicContact CD2-CB 3.95Å; L57-K76 HydrophobicContact CD2-CD 4.42Å; L57-K76 HydrophobicContact CD2-CG 3.75Å; L57-K76 WeakPolarHBondContact O-CE 3.41Å; L57-K76 PolarHBondContact O-NZ 3.32Å; L57-L79 HydrophobicContact CD1-CB 4.05Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.05Å; L57-L79 HydrophobicContact CD2-CD1 3.92Å |
| 58 | K | 88.3 | Confident | 88.8 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.3 | 175.7 | -60.1 | -52.2 | -177.4 | -173 | 0 | 115.6 | F54 D55 S56 R60 | F54-K58 HydrophobicContact CD1-CG 4.32Å; F54-K58 HydrophobicContact CE1-CG 3.92Å; F54-K58 HydrophobicContact CZ-CG 4.2Å; F54-K58 PolarHBondContact O-N 2.92Å; D55-K58 CarbonylContact O-C 3.56Å; D55-K58 PolarHBondContact O-N 3.22Å; S56-K58 PolarHBondContact O-N 2.97Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.4Å; K58-R60 PolarHBondContact O-N 3.05Å |
| 59 | G | 87.9 | Confident | 89 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 23.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D55 S56 | D55-G59 PolarHBondContact O-N 3.38Å; S56-G59 PolarHBondContact O-N 2.89Å |
| 60 | R | 90.8 | Very high | 89 | Confident | 205 Ų | 205 | 76.7 Ų | 76.7 | 77% | 0.774 | 38% | 0.38 | S | S | * | . | trans | -112.8 | -7.1 | -176.8 | -65.3 | -177.2 | -179.4 | -170.4 | -3 | 114.1 | D55 K58 S62 | D55-R60 HydrophobicContact CB-CB 4.45Å; D55-R60 PolarHBondContact O-N 2.89Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.4Å; K58-R60 PolarHBondContact O-N 3.05Å; R60-S62 PolarHBondContact O-N 2.85Å | ||
| 61 | C | 89.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | trans | -79.1 | 111.9 | 176.7 | -165.7 | 0 | 0 | 0 | 0 | 110.9 | D55 H70 | D55-C61 HydrophobicContact CB-CB 3.89Å; D55-C61 PolarHBondContact O-N 2.84Å; C61-H70 VanDerWaalsContact SG-CE1 3.55Å; C61-H70 PolarHBondContact SG-NE2 3.09Å | ||
| 62 | S | 88.4 | Confident | 88.9 | Confident | 119 Ų | 119 | 75.6 Ų | 75.6 | 83% | 0.832 | 38% | 0.376 | S | S | * | . | trans | -95.3 | 6.6 | 172.6 | 54 | 0 | 0 | 0 | 0 | 113.7 | R60 | R60-S62 PolarHBondContact O-N 2.85Š| ||
| 63 | R | 89.2 | Confident | 88.9 | Confident | 186 Ų | 186 | 81 Ų | 81 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | trans | -88.5 | 116.1 | -176.9 | -61.4 | -175.9 | 179.3 | -155.2 | -1.4 | 110.9 | C66 H70 | R63-C66 HydrophobicContact CB-CB 4.35Å; R63-H70 PolarHBondContact O-CE1 3.36Å | ||
| 64 | E | 76.4 | Confident | 88.9 | Confident | 181 Ų | 181 | 86 Ų | 86 | 85% | 0.846 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -52.8 | 171.7 | 64.2 | -138.5 | 122.4 | 0 | 0 | 111.7 | C66 | E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.92Å; E64-C66 VanDerWaalsContact O-N 3.09Å |
| 65 | N | 82.1 | Confident | 88.9 | Confident | 145 Ų | 145 | 82 Ų | 82 | 78% | 0.775 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 59.8 | 175.7 | -73.2 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 66 | C | 87.1 | Confident | 89 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 10% | 0.101 | 41% | 0.406 | C | S | . | . | trans | -69 | 137.6 | 176 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | C53 R63 E64 Y68 H70 | C53-C66 VanDerWaalsContact SG-SG 3.67Å; R63-C66 HydrophobicContact CB-CB 4.35Å; E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.92Å; E64-C66 VanDerWaalsContact O-N 3.09Å; C66-Y68 PolarHBondContact O-N 3.07Å; C66-Y68 PolarHBondContact SG-O 3.46Å; C66-Y68 VanDerWaalsContact SG-O 3.37Å; C66-H70 WeakPolarHBondContact CB-NE2 3.11Å; C66-H70 PolarHBondContact SG-NE2 3.35Å | ||
| 67 | K | 87.5 | Confident | 89.1 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 48% | 0.478 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -64.2 | -26.3 | 174.5 | 176.9 | 175.2 | 178.1 | -177.2 | 0 | 112.8 | ||
| 68 | Y | 89.7 | Confident | 89.1 | Confident | 101 Ų | 101 | 87.1 Ų | 87.1 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -112.5 | 144.9 | -173.7 | -58.7 | -72.8 | 0 | 0 | 0 | 109.7 | I51 C66 H70 | I51-Y68 HydrophobicContact CB-CD1 3.84Å; I51-Y68 HydrophobicContact CB-CE1 4.16Å; I51-Y68 HydrophobicContact CG2-CD1 3.65Å; I51-Y68 HydrophobicContact CG2-CE1 3.84Å; I51-Y68 WeakPolarHBondContact O-CB 3.47Å; C66-Y68 PolarHBondContact O-N 3.07Å; C66-Y68 PolarHBondContact SG-O 3.46Å; C66-Y68 VanDerWaalsContact SG-O 3.37Å; Y68-H70 PolarHBondContact O-N 3.49Å |
| 69 | L | 91.2 | Very high | 89.3 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -59 | 137.5 | -177.2 | 177.6 | 63.7 | 0 | 0 | 0 | 111.1 | L16 A37 V50 I51 A52 C53 P71 | L16-L69 HydrophobicContact CD1-CD2 4.29Å; A37-L69 HydrophobicContact CB-CD2 3.5Å; A37-L69 VanDerWaalsContact CB-CD2 3.5Å; V50-L69 HydrophobicContact CG2-CB 3.87Å; V50-L69 HydrophobicContact CG2-CD2 3.72Å; V50-L69 HydrophobicContact CG2-CG 4.46Å; I51-L69 PolarHBondContact O-N 3.11Å; A52-L69 CarbonylContact C-O 3.41Å; A52-L69 WeakPolarHBondContact CA-O 3.41Å; C53-L69 PolarHBondContact N-O 3.14Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.48Å |
| 70 | H | 91.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 81.2 Ų | 81.2 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | trans | -92.7 | 101.7 | 165.3 | -72 | -172.6 | 0 | 0 | 0 | 107.8 | S56 C61 R63 C66 Y68 | S56-H70 VanDerWaalsContact CB-CD2 3.46Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; C61-H70 VanDerWaalsContact SG-CE1 3.55Å; C61-H70 PolarHBondContact SG-NE2 3.09Å; R63-H70 PolarHBondContact O-CE1 3.36Å; C66-H70 WeakPolarHBondContact CB-NE2 3.11Å; C66-H70 PolarHBondContact SG-NE2 3.35Å; Y68-H70 PolarHBondContact O-N 3.49Å | ||
| 71 | P | 89.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 75.5 Ų | 75.5 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | trans | -78.2 | 147.2 | -172.5 | 31.4 | -34.3 | 0 | 0 | 0 | 111.9 | L16 A52 S56 L57 L69 L75 K76 L79 | L16-P71 HydrophobicContact CD1-CB 3.91Å; A52-P71 HydrophobicContact CB-CG 4.22Å; S56-P71 WeakPolarHBondContact OG-CD 3.07Å; L57-P71 HydrophobicContact CD2-CG 3.7Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-L75 HydrophobicContact CB-CB 3.98Å; P71-K76 HydrophobicContact CG-CB 4.23Å; P71-L79 HydrophobicContact CB-CD1 4.29Å; P71-L79 HydrophobicContact CG-CD1 3.87Å | ||
| 72 | P | 92 | Very high | 89.6 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | trans | -67 | 163.4 | 176.5 | 29.8 | -35.5 | 0 | 0 | 0 | 110.8 | D31 H74 L75 K76 | D31-P72 WeakPolarHBondContact OD1-CD 3.47Å; D31-P72 VanDerWaalsContact OD1-CG 3.29Å; D31-P72 WeakPolarHBondContact OD1-CG 3.49Å; P72-H74 VanDerWaalsContact C-N 3.27Å; P72-H74 PolarHBondContact O-N 2.88Å; P72-H74 VanDerWaalsContact O-N 3.07Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.93Å; P72-L75 HydrophobicContact CG-CG 4.12Å; P72-L75 PolarHBondContact O-N 3.49Å; P72-K76 WeakPolarHBondContact O-CB 3.34Å; P72-K76 PolarHBondContact O-N 2.96Å | ||
| 73 | T | 90.7 | Very high | 89.7 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 71% | 0.712 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -49 | -42.2 | -170.1 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | T77 | T73-T77 WeakPolarHBondContact O-CB 3.49Å; T73-T77 PolarHBondContact O-N 2.76Å; T73-T77 PolarHBondContact O-OG1 3.39Å |
| 74 | H | 91.2 | Very high | 89.8 | Confident | 108 Ų | 108 | 70.4 Ų | 70.4 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 176.9 | 177.6 | -102.5 | 0 | 0 | 0 | 112.5 | P72 T77 Q78 | P72-H74 VanDerWaalsContact C-N 3.27Å; P72-H74 PolarHBondContact O-N 2.88Å; P72-H74 VanDerWaalsContact O-N 3.07Å; H74-T77 PolarHBondContact O-N 2.73Å; H74-Q78 PolarHBondContact O-N 3.3Å |
| 75 | L | 92.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.1 | -32.3 | 179.7 | -65.9 | 179 | 0 | 0 | 0 | 112.3 | L16 P71 P72 Q78 L79 | L16-L75 HydrophobicContact CD1-CB 4.05Å; L16-L75 HydrophobicContact CD1-CD1 4.3Å; L16-L75 HydrophobicContact CD2-CD2 4.43Å; P71-L75 HydrophobicContact CB-CB 3.98Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.93Å; P72-L75 HydrophobicContact CG-CG 4.12Å; P72-L75 PolarHBondContact O-N 3.49Å; L75-Q78 PolarHBondContact O-N 2.98Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.47Å |
| 76 | K | 92.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 168 | 165.4 | 166 | 179.6 | 165.6 | 0 | 111.3 | S56 L57 P71 P72 Q78 L79 E80 | S56-K76 PolarHBondContact O-NZ 2.98Å; L57-K76 HydrophobicContact CD2-CB 3.95Å; L57-K76 HydrophobicContact CD2-CD 4.42Å; L57-K76 HydrophobicContact CD2-CG 3.75Å; L57-K76 WeakPolarHBondContact O-CE 3.41Å; L57-K76 PolarHBondContact O-NZ 3.32Å; P71-K76 HydrophobicContact CG-CB 4.23Å; P72-K76 WeakPolarHBondContact O-CB 3.34Å; P72-K76 PolarHBondContact O-N 2.96Å; K76-Q78 VanDerWaalsContact C-N 3.3Å; K76-Q78 PolarHBondContact O-N 3.28Å; K76-L79 PolarHBondContact O-N 3.42Å; K76-L79 VanDerWaalsContact O-N 3.16Å; K76-E80 WeakPolarHBondContact CE-OE1 3.35Å; K76-E80 PolarHBondContact O-N 3.46Å |
| 77 | T | 92.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 64.4 Ų | 64.4 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | T73 H74 L79 E80 I81 | T73-T77 WeakPolarHBondContact O-CB 3.49Å; T73-T77 PolarHBondContact O-N 2.76Å; T73-T77 PolarHBondContact O-OG1 3.39Å; H74-T77 PolarHBondContact O-N 2.73Å; T77-L79 PolarHBondContact O-N 3.02Å; T77-E80 PolarHBondContact O-N 2.76Å; T77-I81 HydrophobicContact CG2-CD1 4.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 2.89Å; T77-I81 VanDerWaalsContact O-N 3.11Å |
| 78 | Q | 91.7 | Very high | 90.8 | Very high | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.1 | -172.1 | 179.7 | -6.7 | 0 | 0 | 112.6 | H74 L75 K76 I81 N82 | H74-Q78 PolarHBondContact O-N 3.3Å; L75-Q78 PolarHBondContact O-N 2.98Å; K76-Q78 VanDerWaalsContact C-N 3.3Å; K76-Q78 PolarHBondContact O-N 3.28Å; Q78-I81 PolarHBondContact O-N 2.81Å; Q78-N82 VanDerWaalsContact O-CG 3.27Å; Q78-N82 PolarHBondContact O-N 3.38Å |
| 79 | L | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 176.7 | -76.5 | 168.1 | 0 | 0 | 0 | 113 | W13 L16 A52 L57 P71 L75 K76 T77 I81 N82 G83 | W13-L79 WeakPolarHBondContact O-CD2 3.19Å; L16-L79 HydrophobicContact CD1-CD1 3.74Å; L16-L79 HydrophobicContact CD1-CG 4.39Å; L16-L79 HydrophobicContact CD2-CD1 4.13Å; L16-L79 HydrophobicContact CD2-CD2 3.92Å; L16-L79 HydrophobicContact CD2-CG 3.86Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 4.02Å; L16-L79 HydrophobicContact CG-CG 4.07Å; A52-L79 HydrophobicContact CB-CD1 3.42Å; A52-L79 VanDerWaalsContact CB-CD1 3.42Å; L57-L79 HydrophobicContact CD1-CB 4.05Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.05Å; L57-L79 HydrophobicContact CD2-CD1 3.92Å; P71-L79 HydrophobicContact CB-CD1 4.29Å; P71-L79 HydrophobicContact CG-CD1 3.87Å; L75-L79 WeakPolarHBondContact O-CG 3.36Å; L75-L79 PolarHBondContact O-N 3.47Å; K76-L79 PolarHBondContact O-N 3.42Å; K76-L79 VanDerWaalsContact O-N 3.16Å; T77-L79 PolarHBondContact O-N 3.02Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-I81 PolarHBondContact O-N 3.1Å; L79-N82 PolarHBondContact O-N 3.42Å; L79-G83 PolarHBondContact O-N 2.9Å |
| 80 | E | 91.7 | Very high | 90.4 | Very high | 53 Ų | 53 | 69.4 Ų | 69.4 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 174.9 | -72.4 | -173.9 | -154.4 | 0 | 0 | 112.5 | K76 T77 R84 | K76-E80 WeakPolarHBondContact CE-OE1 3.35Å; K76-E80 PolarHBondContact O-N 3.46Å; T77-E80 PolarHBondContact O-N 2.76Å; E80-R84 VanDerWaalsContact O-CG 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.31Å; E80-R84 PolarHBondContact O-N 3.19Å; E80-R84 VanDerWaalsContact O-N 3.15Å; E80-R84 IonicContact OE2-NH2 3.66Å |
| 81 | I | 91.1 | Very high | 90.2 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 172.5 | -66.9 | 163.8 | 0 | 0 | 0 | 110.4 | T77 Q78 L79 G83 R84 N85 | T77-I81 HydrophobicContact CG2-CD1 4.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 2.89Å; T77-I81 VanDerWaalsContact O-N 3.11Å; Q78-I81 PolarHBondContact O-N 2.81Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-I81 PolarHBondContact O-N 3.1Å; I81-G83 VanDerWaalsContact C-N 3.34Å; I81-G83 PolarHBondContact O-N 3.15Å; I81-R84 PolarHBondContact O-N 2.72Å; I81-N85 PolarHBondContact O-N 3.37Å; I81-N85 PolarHBondContact O-ND2 3Å |
| 82 | N | 91.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 76.6 Ų | 76.6 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.6 | -72.1 | -16.7 | 0 | 0 | 0 | 112.3 | Q78 L79 N85 N86 | Q78-N82 VanDerWaalsContact O-CG 3.27Å; Q78-N82 PolarHBondContact O-N 3.38Å; L79-N82 PolarHBondContact O-N 3.42Å; N82-N85 PolarHBondContact O-N 3.34Å; N82-N86 WeakPolarHBondContact O-CB 3.29Å; N82-N86 PolarHBondContact O-N 3.29Å |
| 83 | G | 91 | Very high | 89.7 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W13 L79 I81 N86 L87 | W13-G83 VanDerWaalsContact CD2-CA 3.45Å; L79-G83 PolarHBondContact O-N 2.9Å; I81-G83 VanDerWaalsContact C-N 3.34Å; I81-G83 PolarHBondContact O-N 3.15Å; G83-N86 PolarHBondContact O-N 3.01Å; G83-L87 WeakPolarHBondContact O-CB 3.44Å; G83-L87 PolarHBondContact O-N 3.47Å |
| 84 | R | 90.1 | Very high | 89.3 | Confident | 160 Ų | 160 | 75.9 Ų | 75.9 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 172.7 | -68 | 172.1 | -155.2 | -165.8 | 7.1 | 111.1 | E80 I81 N86 L87 I88 | E80-R84 VanDerWaalsContact O-CG 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.31Å; E80-R84 PolarHBondContact O-N 3.19Å; E80-R84 VanDerWaalsContact O-N 3.15Å; E80-R84 IonicContact OE2-NH2 3.66Å; I81-R84 PolarHBondContact O-N 2.72Å; R84-N86 PolarHBondContact O-N 3.12Å; R84-L87 PolarHBondContact O-N 2.87Å; R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.46Å; R84-I88 PolarHBondContact O-N 3.35Å |
| 85 | N | 90.8 | Very high | 88.8 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 178.3 | -72.5 | -26.7 | 0 | 0 | 0 | 112.3 | I81 N82 I88 Q89 | I81-N85 PolarHBondContact O-N 3.37Å; I81-N85 PolarHBondContact O-ND2 3Å; N82-N85 PolarHBondContact O-N 3.34Å; N85-I88 PolarHBondContact O-N 3Å; N85-Q89 VanDerWaalsContact O-CG 3.28Å; N85-Q89 WeakPolarHBondContact O-CG 3.37Å; N85-Q89 PolarHBondContact O-N 2.93Å |
| 86 | N | 89.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 79.5 Ų | 79.5 | 16% | 0.155 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67 | -38.9 | 177.2 | -178.7 | -119.3 | 0 | 0 | 0 | 112.2 | W13 N82 G83 R84 Q89 Q90 | W13-N86 HydrophobicContact CB-CB 3.9Å; W13-N86 HydrophobicContact CG-CB 4.21Å; N82-N86 WeakPolarHBondContact O-CB 3.29Å; N82-N86 PolarHBondContact O-N 3.29Å; G83-N86 PolarHBondContact O-N 3.01Å; R84-N86 PolarHBondContact O-N 3.12Å; N86-Q89 PolarHBondContact O-N 3.26Å; N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.42Å |
| 87 | L | 87.4 | Confident | 87.8 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 57% | 0.571 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 173.1 | -177.8 | 62.4 | 0 | 0 | 0 | 112.4 | G83 R84 Q90 K91 | G83-L87 WeakPolarHBondContact O-CB 3.44Å; G83-L87 PolarHBondContact O-N 3.47Å; R84-L87 PolarHBondContact O-N 2.87Å; L87-Q90 PolarHBondContact O-N 2.76Å; L87-K91 WeakPolarHBondContact O-CB 3.45Å; L87-K91 PolarHBondContact O-N 3.14Å |
| 88 | I | 87.4 | Confident | 87 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 173.4 | -68.4 | 163.2 | 0 | 0 | 0 | 110.1 | R84 N85 Q90 K91 T92 | R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.46Å; R84-I88 PolarHBondContact O-N 3.35Å; N85-I88 PolarHBondContact O-N 3Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 2.88Å; I88-K91 PolarHBondContact O-N 2.92Å; I88-T92 PolarHBondContact O-N 3.5Å; I88-T92 PolarHBondContact O-OG1 3.39Å; I88-T92 VanDerWaalsContact O-OG1 3.12Å |
| 89 | Q | 86.6 | Confident | 86 | Confident | 125 Ų | 125 | 82.7 Ų | 82.7 | 58% | 0.584 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.5 | -44 | 175.9 | -73.2 | 167.6 | -7.5 | 0 | 0 | 112.1 | N85 N86 T92 A93 | N85-Q89 VanDerWaalsContact O-CG 3.28Å; N85-Q89 WeakPolarHBondContact O-CG 3.37Å; N85-Q89 PolarHBondContact O-N 2.93Å; N86-Q89 PolarHBondContact O-N 3.26Å; Q89-T92 PolarHBondContact O-N 3.09Å; Q89-A93 VanDerWaalsContact O-CB 3.31Å; Q89-A93 WeakPolarHBondContact O-CB 3.5Å; Q89-A93 PolarHBondContact O-N 3.08Å |
| 90 | Q | 85.1 | Confident | 84.6 | Confident | 98 Ų | 98 | 88.9 Ų | 88.9 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.7 | -168.3 | -176.7 | 74.1 | 0 | 0 | 111.4 | D10 N86 L87 I88 A93 A94 | D10-Q90 PolarHBondContact OD2-NE2 3.22Å; N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.42Å; L87-Q90 PolarHBondContact O-N 2.76Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 2.88Å; Q90-A93 PolarHBondContact O-N 3.43Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 2.94Å |
| 91 | K | 87.4 | Confident | 83 | Confident | 164 Ų | 164 | 91.6 Ų | 91.6 | 71% | 0.713 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 175.7 | -172.4 | 175 | 179.9 | 179.7 | 0 | 112.4 | L87 I88 A95 | L87-K91 WeakPolarHBondContact O-CB 3.45Å; L87-K91 PolarHBondContact O-N 3.14Å; I88-K91 PolarHBondContact O-N 2.92Å; K91-A95 WeakPolarHBondContact O-CB 3.23Å; K91-A95 PolarHBondContact O-N 3.44Å |
| 92 | T | 87.7 | Confident | 81.3 | Confident | 77 Ų | 77 | 95.3 Ų | 95.3 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | I88 Q89 A94 A95 M96 | I88-T92 PolarHBondContact O-N 3.5Å; I88-T92 PolarHBondContact O-OG1 3.39Å; I88-T92 VanDerWaalsContact O-OG1 3.12Å; Q89-T92 PolarHBondContact O-N 3.09Å; T92-A94 PolarHBondContact O-N 3.45Å; T92-A95 PolarHBondContact O-N 3.01Å; T92-M96 WeakPolarHBondContact O-CG 2.95Å; T92-M96 PolarHBondContact O-N 3.18Å |
| 93 | A | 83.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 101 Ų | 101 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q89 Q90 M96 L97 | Q89-A93 VanDerWaalsContact O-CB 3.31Å; Q89-A93 WeakPolarHBondContact O-CB 3.5Å; Q89-A93 PolarHBondContact O-N 3.08Å; Q90-A93 PolarHBondContact O-N 3.43Å; A93-M96 PolarHBondContact O-N 3.49Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.39Å |
| 94 | A | 83 | Confident | 77.8 | Confident | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q90 T92 L97 A98 | Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 2.94Å; T92-A94 PolarHBondContact O-N 3.45Å; A94-L97 PolarHBondContact O-N 3.26Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.16Å |
| 95 | A | 81.6 | Confident | 75.7 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K91 T92 A98 Q99 | K91-A95 WeakPolarHBondContact O-CB 3.23Å; K91-A95 PolarHBondContact O-N 3.44Å; T92-A95 PolarHBondContact O-N 3.01Å; A95-A98 PolarHBondContact O-N 3.03Å; A95-Q99 WeakPolarHBondContact O-CB 2.88Å; A95-Q99 PolarHBondContact O-N 2.91Å |
| 96 | M | 80.7 | Confident | 73.7 | Confident | 127 Ų | 127 | 110 Ų | 110 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 175.3 | -69.3 | -169.7 | 76 | 0 | 0 | 112.2 | T92 A93 Q99 Q100 | T92-M96 WeakPolarHBondContact O-CG 2.95Å; T92-M96 PolarHBondContact O-N 3.18Å; A93-M96 PolarHBondContact O-N 3.49Å; M96-Q99 PolarHBondContact O-N 2.91Å; M96-Q100 PolarHBondContact O-N 3.34Å |
| 97 | L | 81.7 | Confident | 71.9 | Confident | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -42.2 | 175.1 | -177.9 | 62.1 | 0 | 0 | 0 | 111.8 | A93 A94 Q100 M101 | A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.39Å; A94-L97 PolarHBondContact O-N 3.26Å; L97-Q100 PolarHBondContact O-N 2.99Å; L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 2.67Å |
| 98 | A | 74.6 | Confident | 69.8 | Low | 58 Ų | 58 | 111.3 Ų | 111.3 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.5 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A94 A95 Q100 M101 Q102 | A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.16Å; A95-A98 PolarHBondContact O-N 3.03Å; A98-Q100 VanDerWaalsContact C-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.35Å; A98-M101 PolarHBondContact O-N 2.79Å; A98-Q102 PolarHBondContact O-N 3.34Å |
| 99 | Q | 71.1 | Confident | 67.7 | Low | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.8 | -37 | 175.5 | -168.1 | 174.3 | 7.7 | 0 | 0 | 112 | A95 M96 Q102 | A95-Q99 WeakPolarHBondContact O-CB 2.88Å; A95-Q99 PolarHBondContact O-N 2.91Å; M96-Q99 PolarHBondContact O-N 2.91Å; Q99-Q102 PolarHBondContact O-N 3.48Å |
| 100 | Q | 62.8 | Low | 65.7 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 174.2 | -170.5 | 177.2 | 4.2 | 0 | 0 | 112.2 | M96 L97 A98 Q102 F103 | M96-Q100 PolarHBondContact O-N 3.34Å; L97-Q100 PolarHBondContact O-N 2.99Å; A98-Q100 VanDerWaalsContact C-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.35Å; Q100-Q102 VanDerWaalsContact C-N 3.34Å; Q100-Q102 PolarHBondContact O-N 2.85Å; Q100-F103 PolarHBondContact O-N 3.07Å; Q100-F103 VanDerWaalsContact O-N 3.17Å |
| 101 | M | 58.7 | Low | 63.8 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 54% | 0.542 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67 | -31.5 | 176.5 | -69.1 | -148.7 | 75 | 0 | 0 | 113.2 | L97 A98 F103 M104 | L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 2.67Å; A98-M101 PolarHBondContact O-N 2.79Å; M101-F103 PolarHBondContact O-N 2.95Å; M101-M104 PolarHBondContact O-N 3.44Å; M101-M104 VanDerWaalsContact O-N 3.15Å |
| 102 | Q | 56.1 | Low | 61.7 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.3 | -20.1 | 173.2 | -72.1 | -161.9 | -42.1 | 0 | 0 | 113.5 | A98 Q99 Q100 | A98-Q102 PolarHBondContact O-N 3.34Å; Q99-Q102 PolarHBondContact O-N 3.48Å; Q100-Q102 VanDerWaalsContact C-N 3.34Å; Q100-Q102 PolarHBondContact O-N 2.85Å |
| 103 | F | 55.4 | Low | 59.8 | Low | 176 Ų | 176 | 117 Ų | 117 | 77% | 0.772 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -2 | 175.2 | -85.6 | -86.7 | 0 | 0 | 0 | 114.6 | Q100 M101 | Q100-F103 PolarHBondContact O-N 3.07Å; Q100-F103 VanDerWaalsContact O-N 3.17Å; M101-F103 PolarHBondContact O-N 2.95Å |
| 104 | M | 52 | Low | 58.2 | Low | 130 Ų | 130 | 118.9 Ų | 118.9 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -99 | 2.6 | 176.7 | -68 | -145.8 | -60.3 | 0 | 0 | 114.9 | M101 P106 | M101-M104 PolarHBondContact O-N 3.44Å; M101-M104 VanDerWaalsContact O-N 3.15Å; M104-P106 WeakPolarHBondContact O-CD 3.21Å |
| 105 | F | 47.1 | Very low | 56.6 | Low | 173 Ų | 173 | 122.5 Ų | 122.5 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | trans | -116.6 | 86.2 | 170.9 | -90.3 | -84.2 | 0 | 0 | 0 | 111.8 | G107 | F105-G107 PolarHBondContact O-N 3Š| ||
| 106 | P | 48.6 | Very low | 54.7 | Low | 136 Ų | 136 | 128.1 Ų | 128.1 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | -73.4 | 73.1 | 163.4 | 32.2 | -33.8 | 0 | 0 | 0 | 109.6 | M104 | M104-P106 WeakPolarHBondContact O-CD 3.21Š| ||
| 107 | G | 50.9 | Low | 53.3 | Low | 49 Ų | 49 | 128.1 Ų | 128.1 | 51% | 0.505 | 70% | 0.702 | S | S | . | * | trans | -162.2 | 118.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F105 | F105-G107 PolarHBondContact O-N 3Š| ||
| 108 | T | 44.4 | Very low | 51.5 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | trans | 53.6 | 103.4 | 164 | 58.4 | 0 | 0 | 0 | 0 | 118.8 | L110 | T108-L110 PolarHBondContact O-N 3Š| ||
| 109 | P | 43.4 | Very low | 50 | Low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -78.7 | 94.3 | 163 | 32.3 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 110 | L | 44.5 | Very low | 48.8 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -90.2 | 107.6 | 169.2 | -61.3 | -176 | 0 | 0 | 0 | 109.6 | T108 | T108-L110 PolarHBondContact O-N 3Š| ||
| 111 | H | 44.5 | Very low | 47.6 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.4 | 176.9 | -75.1 | 91 | 0 | 0 | 0 | 111.1 | V113 | H111-V113 PolarHBondContact O-N 3.44Š|
| 112 | P | 44 | Very low | 46.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 121.6 | 169.2 | 29.4 | -32.3 | 0 | 0 | 0 | 110 | ||
| 113 | V | 47.4 | Very low | 45.4 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.9 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | H111 T115 | H111-V113 PolarHBondContact O-N 3.44Å; V113-T115 PolarHBondContact O-N 3.25Å |
| 114 | P | 49.5 | Very low | 44.4 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | -74.5 | 107.2 | 174.1 | 29.5 | -33 | 0 | 0 | 0 | 110.7 | F116 | P114-F116 PolarHBondContact O-N 3.38Š| ||
| 115 | T | 49.5 | Very low | 43.7 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 113 | 175 | -46.9 | 0 | 0 | 0 | 0 | 110.7 | V113 | V113-T115 PolarHBondContact O-N 3.25Š| ||
| 116 | F | 40.9 | Very low | 43.1 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -73 | 129.8 | 171.8 | -72.7 | -94 | 0 | 0 | 0 | 110.7 | P114 V118 | P114-F116 PolarHBondContact O-N 3.38Å; F116-V118 PolarHBondContact O-N 3.3Å | ||
| 117 | P | 52.1 | Low | 42.5 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -78.6 | 115.5 | 173.9 | 30.5 | -32.1 | 0 | 0 | 0 | 110.8 | ||||
| 118 | V | 43.3 | Very low | 42.2 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -94 | 105.7 | 169.6 | -180 | 0 | 0 | 0 | 0 | 108.9 | F116 | F116-V118 PolarHBondContact O-N 3.3Š| ||
| 119 | G | 43.5 | Very low | 41.6 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -120 | 121.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 120 | P | 46.8 | Very low | 41.3 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -82.6 | 130.6 | -179.4 | 31.6 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 121 | A | 36.4 | Very low | 41 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -140 | 136 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 122 | I | 36.5 | Very low | 41.3 | Very low | 183 Ų | 183 | 125.2 Ų | 125.2 | 94% | 0.938 | 78% | 0.78 | S | S | * | * | trans | -103.6 | 137 | -176.2 | -62.7 | 167 | 0 | 0 | 0 | 108.4 | ||||
| 123 | G | 33.6 | Very low | 40.7 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | 170 | 65.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 124 | T | 33.9 | Very low | 40.5 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 40.4 | 121.3 | 142.7 | 52.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 125 | N | 36.2 | Very low | 40.1 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 72.5 | 145.6 | 149.9 | -57 | -38.1 | 0 | 0 | 0 | 118 | ||||
| 126 | T | 36 | Very low | 40.1 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | cis | -143.1 | 173.4 | 7.1 | -22.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 127 | A | 35.6 | Very low | 40.2 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -62 | 166.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 128 | I | 43.4 | Very low | 40 | Very low | 164 Ų | 164 | 129 Ų | 129 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | -139 | 144.4 | 56.6 | -66.3 | 160.3 | 0 | 0 | 0 | 111.7 | |||||
| 129 | S | 33.3 | Very low | 40.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -107.8 | 133.7 | 171.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 130 | F | 36.3 | Very low | 40 | Very low | 214 Ų | 214 | 127.3 Ų | 127.3 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -151.9 | 142.3 | 156.3 | -134.2 | -89 | 0 | 0 | 0 | 110.8 | ||||
| 131 | A | 38 | Very low | 39.8 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | -160.6 | 175.8 | -177 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 132 | P | 50.9 | Low | 39.7 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | -121.7 | -176.3 | -8.7 | 40.2 | -26 | 0 | 0 | 0 | 112.2 | ||||
| 133 | Y | 32.3 | Very low | 39.8 | Very low | 204 Ų | 204 | 126.5 Ų | 126.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | 176.6 | 153.4 | 117.2 | -109.8 | -77.5 | 0 | 0 | 0 | 114 | |||||
| 134 | L | 42.9 | Very low | 40.1 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | 69.8 | 149.9 | 169.3 | -59.9 | 176.6 | 0 | 0 | 0 | 118 | ||||
| 135 | A | 41 | Very low | 40.7 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -132.8 | 171.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 136 | P | 48.4 | Very low | 40.6 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -111.1 | 147.1 | 139.5 | -7 | 26.9 | 0 | 0 | 0 | 111.7 | ||||
| 137 | V | 44.2 | Very low | 40.5 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -97.5 | 144.8 | 176.4 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 138 | T | 46.5 | Very low | 40.5 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -140.4 | 110 | 174 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 139 | P | 47.5 | Very low | 40.1 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -107.5 | 153.5 | 154.9 | 9 | 12.2 | 0 | 0 | 0 | 110.5 | ||||
| 140 | G | 40.3 | Very low | 40.7 | Very low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | cis | 120.3 | 120.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 141 | V | 41.7 | Very low | 40.5 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 98% | 0.976 | 78% | 0.776 | S | S | * | * | trans | 56.1 | 155.5 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 142 | G | 34.9 | Very low | 40.5 | Very low | 62 Ų | 62 | 130.4 Ų | 130.4 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | cis | 146.7 | 131.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 143 | L | 37.8 | Very low | 40.2 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | 69.2 | 155.3 | 174.2 | -44.8 | 176.6 | 0 | 0 | 0 | 114.6 | ||||
| 144 | V | 40.2 | Very low | 40.6 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | cis | -140.5 | 168.4 | -3.3 | -92.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 145 | P | 47.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -109.2 | 173.2 | -174 | 40.4 | -34.3 | 0 | 0 | 0 | 117.1 | ||||
| 146 | T | 32.9 | Very low | 40.5 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | 93.8 | 116.2 | 159.3 | -27.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 147 | E | 34.4 | Very low | 40 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | 176.2 | 150.2 | 114 | -93.6 | -70.7 | 56.1 | 0 | 0 | 116.3 | |||||
| 148 | I | 35.5 | Very low | 39.6 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | 55 | 103.4 | 150.1 | -58.3 | 162.8 | 0 | 0 | 0 | 122 | ||||
| 149 | L | 36.2 | Very low | 39.3 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 57.4 | 169.8 | 134.5 | -90.3 | 67.4 | 0 | 0 | 0 | 122.7 | ||||
| 150 | P | 45.4 | Very low | 39 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -127.4 | 141.1 | -156.9 | 40.8 | -25.4 | 0 | 0 | 0 | 116.4 | ||||
| 151 | T | 31.7 | Very low | 38.9 | Very low | 145 Ų | 145 | 128 Ų | 128 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -137.2 | 143.5 | 173.4 | -22.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 152 | T | 37.2 | Very low | 39 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -94.3 | -176.7 | -178.4 | 59 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 153 | P | 46.4 | Very low | 39 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -115.1 | 161.2 | -91.1 | 34.6 | -19.4 | 0 | 0 | 0 | 113.1 | |||||
| 154 | V | 40.8 | Very low | 39.4 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -123.2 | 133.6 | 170 | -178 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 155 | I | 40.4 | Very low | 39.6 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -95.2 | 126.2 | -176.4 | -66.4 | 163.4 | 0 | 0 | 0 | 109.7 | ||||
| 156 | V | 41.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 124 Ų | 124 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -137.8 | 129.6 | 157 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 157 | P | 37.4 | Very low | 39 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -98.2 | 156.3 | -177 | 32.7 | -24.7 | 0 | 0 | 0 | 113.1 | ||||
| 158 | G | 35.2 | Very low | 39.1 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 137.4 | 57.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 159 | S | 40.3 | Very low | 39.1 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -162.4 | 143.9 | 153.1 | -84.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 160 | P | 42 | Very low | 39.1 | Very low | 119 Ų | 119 | 118 Ų | 118 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125 | -175.9 | 29.4 | -33.5 | 0 | 0 | 0 | 111.7 | ||
| 161 | P | 38.4 | Very low | 38.8 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.8 | 171.6 | 29.7 | -33.1 | 0 | 0 | 0 | 110.3 | T163 | P161-T163 PolarHBondContact O-N 2.97Š|
| 162 | V | 42.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.1 | 171.3 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | V164 | V162-V164 PolarHBondContact O-N 3.21Š|
| 163 | T | 35.2 | Very low | 39.7 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -68.1 | 89.7 | 178.9 | -48 | 0 | 0 | 0 | 0 | 111.1 | P161 P165 | P161-T163 PolarHBondContact O-N 2.97Å; T163-P165 WeakPolarHBondContact O-CD 3.31Å | ||
| 164 | V | 46 | Very low | 39.9 | Very low | 121 Ų | 121 | 122 Ų | 122 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 123.5 | 160.5 | -71.8 | 0 | 0 | 0 | 0 | 108.6 | V162 G166 | V162-V164 PolarHBondContact O-N 3.21Å; V164-G166 PolarHBondContact O-N 3.32Å | ||
| 165 | P | 44.1 | Very low | 41 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -66.3 | 101.8 | 177.9 | -23.6 | 35.8 | 0 | 0 | 0 | 110.7 | T163 S167 | T163-P165 WeakPolarHBondContact O-CD 3.31Å; P165-S167 VanDerWaalsContact C-N 3.3Å; P165-S167 PolarHBondContact O-N 3.3Å; P165-S167 PolarHBondContact O-OG 2.9Å | ||
| 166 | G | 33.8 | Very low | 42.8 | Very low | 67 Ų | 67 | 119 Ų | 119 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | -61.1 | 89.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V164 T168 | V164-G166 PolarHBondContact O-N 3.32Å; G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.42Å | ||
| 167 | S | 34.6 | Very low | 44.7 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | trans | -75 | 86.9 | -176.4 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | P165 A169 | P165-S167 VanDerWaalsContact C-N 3.3Å; P165-S167 PolarHBondContact O-N 3.3Å; P165-S167 PolarHBondContact O-OG 2.9Å; S167-A169 PolarHBondContact O-N 3.41Å | ||
| 168 | T | 36.6 | Very low | 47.1 | Very low | 147 Ų | 147 | 111.8 Ų | 111.8 | 90% | 0.902 | 67% | 0.667 | S | S | * | * | trans | -69.2 | 43.8 | 168.7 | 44 | 0 | 0 | 0 | 0 | 112.1 | G166 | G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.42Å | ||
| 169 | A | 35.7 | Very low | 49.7 | Very low | 50 Ų | 50 | 108.8 Ų | 108.8 | 41% | 0.413 | 63% | 0.633 | S | S | . | * | trans | -86.8 | 114.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | S167 Q171 | S167-A169 PolarHBondContact O-N 3.41Å; A169-Q171 HydrophobicContact CB-CG 3.83Å; A169-Q171 PolarHBondContact O-N 2.93Å | ||
| 170 | T | 36.3 | Very low | 52 | Low | 142 Ų | 142 | 107.6 Ų | 107.6 | 87% | 0.871 | 62% | 0.615 | S | S | * | * | trans | -65.9 | 77.5 | 159.7 | 37.1 | 0 | 0 | 0 | 0 | 108.8 | K172 | T170-K172 PolarHBondContact O-N 3.34Š| ||
| 171 | Q | 40 | Very low | 54.4 | Low | 129 Ų | 129 | 102.1 Ų | 102.1 | 60% | 0.603 | 58% | 0.579 | S | S | * | * | trans | -66 | 75 | -174 | -76.5 | -67.9 | -11.4 | 0 | 0 | 112.1 | A169 L173 | A169-Q171 HydrophobicContact CB-CG 3.83Å; A169-Q171 PolarHBondContact O-N 2.93Å; Q171-L173 PolarHBondContact O-N 3.28Å | ||
| 172 | K | 40.3 | Very low | 56.9 | Low | 200 Ų | 200 | 96.5 Ų | 96.5 | 87% | 0.87 | 54% | 0.543 | S | S | * | . | trans | -71.3 | 73.9 | 175.1 | -172.9 | -171.1 | 176.6 | 178.5 | 0 | 110.2 | T170 | T170-K172 PolarHBondContact O-N 3.34Š| ||
| 173 | L | 45.5 | Very low | 59.2 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | trans | 51.3 | 94 | 178.6 | -90.1 | 162.1 | 0 | 0 | 0 | 113.5 | Q171 R175 A251 | Q171-L173 PolarHBondContact O-N 3.28Å; L173-R175 PolarHBondContact O-N 3.42Å; L173-A251 HydrophobicContact CD2-CB 4.24Å | ||
| 174 | L | 52.1 | Low | 61.8 | Low | 143 Ų | 143 | 94.7 Ų | 94.7 | 75% | 0.749 | 51% | 0.511 | S | S | * | . | trans | -46.3 | 111 | 173.9 | -159.8 | 81.9 | 0 | 0 | 0 | 109.9 | T176 | L174-T176 PolarHBondContact O-N 3.47Š| ||
| 175 | R | 64.1 | Low | 63.9 | Low | 188 Ų | 188 | 92.9 Ų | 92.9 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | trans | -79.6 | 97.1 | -158.7 | -174.2 | 131.8 | 175.5 | 170.8 | -3.4 | 110.8 | L173 D177 K178 | L173-R175 PolarHBondContact O-N 3.42Å; R175-D177 HydrophobicContact CG-CB 3.69Å; R175-D177 IonicContact NE-OD1 3Å; R175-D177 PolarHBondContact NE-OD1 2.86Å; R175-D177 IonicContact NH2-OD1 2.69Å; R175-D177 PolarHBondContact O-N 3.17Å; R175-K178 PolarHBondContact O-N 2.99Å | ||
| 176 | T | 77.4 | Confident | 66 | Low | 43 Ų | 43 | 92.1 Ų | 92.1 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 25.6 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 116.4 | L174 A247 Q248 | L174-T176 PolarHBondContact O-N 3.47Å; T176-A247 WeakPolarHBondContact OG1-CB 3.34Å; T176-Q248 HydrophobicContact CG2-CG 3.55Å |
| 177 | D | 82.2 | Confident | 68.6 | Low | 24 Ų | 24 | 98.7 Ų | 98.7 | 13% | 0.128 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -23.5 | -172 | -169.5 | -168.2 | 0 | 0 | 0 | 110.7 | R175 V217 M219 | R175-D177 HydrophobicContact CG-CB 3.69Å; R175-D177 IonicContact NE-OD1 3Å; R175-D177 PolarHBondContact NE-OD1 2.86Å; R175-D177 IonicContact NH2-OD1 2.69Å; R175-D177 PolarHBondContact O-N 3.17Å; D177-V217 WeakPolarHBondContact O-CB 3.22Å; D177-V217 WeakPolarHBondContact O-CG2 3.42Å; D177-V217 PolarHBondContact O-N 3.39Å; D177-M219 HydrophobicContact CB-CE 4.3Å; D177-M219 HydrophobicContact CB-SD 4.45Å; D177-M219 WeakPolarHBondContact OD2-CE 3.31Å; D177-M219 VanDerWaalsContact OD2-CG 3.22Å; D177-M219 WeakPolarHBondContact OD2-CG 3.38Å |
| 178 | K | 87.5 | Confident | 71.1 | Confident | 81 Ų | 81 | 97 Ų | 97 | 35% | 0.352 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.6 | 168.7 | -80.3 | 177.9 | 165.9 | -105.7 | 0 | 110.4 | R175 D209 D212 T214 V215 | R175-K178 PolarHBondContact O-N 2.99Å; K178-D209 IonicContact NZ-OD2 3.98Å; K178-D209 PolarHBondContact NZ-OD2 2.76Å; K178-D212 IonicContact NZ-OD2 2.67Å; K178-D212 PolarHBondContact NZ-OD2 3Å; K178-T214 HydrophobicContact CB-CG2 4.29Å; K178-T214 PolarHBondContact NZ-OG1 2.96Å; K178-V215 WeakPolarHBondContact CA-O 3.28Å |
| 179 | L | 88.9 | Confident | 73.6 | Confident | 11 Ų | 11 | 96 Ų | 96 | 6% | 0.058 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.9 | 164.6 | -79.4 | 179.7 | 0 | 0 | 0 | 109.8 | A200 T214 V215 V217 F234 P236 L240 I244 | L179-A200 HydrophobicContact CB-CB 4.13Å; L179-A200 HydrophobicContact CD1-CB 4.22Å; L179-T214 CarbonylContact O-C 3.48Å; L179-T214 WeakPolarHBondContact O-CA 3.3Å; L179-T214 WeakPolarHBondContact O-CB 3.34Å; L179-V215 HydrophobicContact CB-CG2 4.04Å; L179-V215 PolarHBondContact N-O 3.05Å; L179-V215 PolarHBondContact O-N 2.96Å; L179-V217 HydrophobicContact CB-CG2 4.35Å; L179-V217 HydrophobicContact CD1-CG2 3.78Å; L179-V217 HydrophobicContact CG-CG2 3.79Å; L179-F234 HydrophobicContact CD1-CD1 4.47Å; L179-F234 HydrophobicContact CD1-CE1 4.46Å; L179-P236 HydrophobicContact CD1-CB 4.16Å; L179-L240 HydrophobicContact CD1-CB 4.3Å; L179-L240 HydrophobicContact CD1-CD1 4.21Å; L179-I244 HydrophobicContact CD1-CD1 3.93Å; L179-I244 HydrophobicContact CD2-CD1 4.24Å; L179-I244 HydrophobicContact CD2-CG1 4.19Å; L179-I244 HydrophobicContact CG-CD1 4.1Å |
| 180 | E | 90.2 | Very high | 76.2 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 41% | 0.407 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 141.5 | 170.3 | -175.5 | 177.8 | -166.1 | 0 | 0 | 111.2 | F199 A200 | E180-F199 HydrophobicContact CB-CD1 4.11Å; E180-F199 HydrophobicContact CG-CD1 4.07Å; E180-F199 HydrophobicContact CG-CE1 4.33Å; E180-F199 WeakPolarHBondContact O-CB 3.4Å; E180-F199 WeakPolarHBondContact OE2-CE1 3.41Å; E180-A200 PolarHBondContact O-N 3.32Å |
| 181 | V | 91.4 | Very high | 78.6 | Confident | 3 Ų | 3 | 93 Ų | 93 | 2% | 0.018 | 46% | 0.46 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 142.9 | -179.4 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | R183 A200 P202 I208 N213 V215 | V181-R183 PolarHBondContact O-N 3.12Å; V181-A200 WeakPolarHBondContact CA-O 3.36Å; V181-P202 HydrophobicContact CG1-CG 4.02Å; V181-P202 HydrophobicContact CG2-CG 4.01Å; V181-I208 HydrophobicContact CG1-CD1 4.27Å; V181-I208 HydrophobicContact CG2-CD1 4.4Å; V181-I208 HydrophobicContact CG2-CG1 4.2Å; V181-I208 HydrophobicContact CG2-CG2 4.18Å; V181-N213 PolarHBondContact N-O 3.37Å; V181-V215 HydrophobicContact CG2-CG1 3.67Å; V181-V215 HydrophobicContact CG2-CG2 4.37Å |
| 182 | C | 91.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 94.4 Ų | 94.4 | 0% | 0 | 46% | 0.46 | C | S | . | . | trans | -67.6 | 112.9 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 111 | E184 F185 Q186 C197 F199 A200 H201 | C182-E184 VanDerWaalsContact C-N 3.26Å; C182-E184 PolarHBondContact O-N 2.9Å; C182-E184 PolarHBondContact SG-OE2 2.97Å; C182-F185 HydrophobicContact CB-CB 3.7Å; C182-F185 WeakPolarHBondContact O-CB 3.48Å; C182-F185 PolarHBondContact O-N 3.43Å; C182-F185 PolarHBondContact SG-N 3.48Å; C182-Q186 PolarHBondContact O-N 2.86Å; C182-C197 VanDerWaalsContact SG-SG 3.68Å; C182-F199 HydrophobicContact CB-CB 3.81Å; C182-A200 PolarHBondContact N-O 2.79Å; C182-H201 WeakPolarHBondContact CB-CD2 3.38Å; C182-H201 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 183 | R | 89.5 | Confident | 82.4 | Confident | 136 Ų | 136 | 86.5 Ų | 86.5 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -31.1 | 177 | -73.6 | -178.6 | 169.7 | 153.4 | 1.9 | 112.5 | V181 Q186 R187 | V181-R183 PolarHBondContact O-N 3.12Å; R183-Q186 PolarHBondContact O-N 2.97Å; R183-R187 PolarHBondContact O-N 3.25Å |
| 184 | E | 90.7 | Very high | 84 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 41% | 0.407 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 176 | -57.2 | 66.3 | -141.5 | 0 | 0 | 110.7 | C182 R187 G188 N189 C190 | C182-E184 VanDerWaalsContact C-N 3.26Å; C182-E184 PolarHBondContact O-N 2.9Å; C182-E184 PolarHBondContact SG-OE2 2.97Å; E184-R187 PolarHBondContact O-N 3.37Å; E184-G188 PolarHBondContact O-N 3.28Å; E184-G188 VanDerWaalsContact O-N 3.16Å; E184-N189 PolarHBondContact O-N 3.05Å; E184-C190 HydrophobicContact CB-CB 3.89Å; E184-C190 PolarHBondContact O-N 3.16Å |
| 185 | F | 89.3 | Confident | 85.2 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 36% | 0.36 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 175.7 | 179.9 | -102.3 | 0 | 0 | 0 | 110.9 | C182 R187 G188 C190 H201 | C182-F185 HydrophobicContact CB-CB 3.7Å; C182-F185 WeakPolarHBondContact O-CB 3.48Å; C182-F185 PolarHBondContact O-N 3.43Å; C182-F185 PolarHBondContact SG-N 3.48Å; F185-R187 PolarHBondContact O-N 2.8Å; F185-R187 VanDerWaalsContact O-N 3.11Å; F185-G188 PolarHBondContact O-N 3.47Å; F185-C190 HydrophobicContact CB-CB 3.84Å; F185-H201 HydrophobicContact CD1-CB 3.97Å; F185-H201 HydrophobicContact CD2-CB 4.21Å; F185-H201 AromaticContact CD2-CE1 3.72Å; F185-H201 AromaticContact CD2-CG 3.7Å; F185-H201 AromaticContact CD2-ND1 3.36Å; F185-H201 WeakPolarHBondContact CD2-ND1 3.33Å; F185-H201 HydrophobicContact CE1-CB 3.95Å; F185-H201 HydrophobicContact CE2-CB 4.19Å; F185-H201 AromaticContact CE2-ND1 3.78Å; F185-H201 HydrophobicContact CG-CB 4.1Å; F185-H201 AromaticContact CG-CD2 3.83Å; F185-H201 AromaticContact CG-CG 3.64Å; F185-H201 AromaticContact CG-ND1 3.76Å; F185-H201 HydrophobicContact CZ-CB 4.06Å |
| 186 | Q | 88.4 | Confident | 86 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -15.5 | 174.3 | -158.3 | 179.7 | 28.1 | 0 | 0 | 113.4 | C182 R183 | C182-Q186 PolarHBondContact O-N 2.86Å; R183-Q186 PolarHBondContact O-N 2.97Å |
| 187 | R | 88.5 | Confident | 86.6 | Confident | 205 Ų | 205 | 77.4 Ų | 77.4 | 77% | 0.774 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -3.3 | 169.6 | -62.9 | -165.7 | -168.6 | -66.9 | 2 | 114.6 | R183 E184 F185 N189 | R183-R187 PolarHBondContact O-N 3.25Å; E184-R187 PolarHBondContact O-N 3.37Å; F185-R187 PolarHBondContact O-N 2.8Å; F185-R187 VanDerWaalsContact O-N 3.11Å; R187-N189 PolarHBondContact O-OD1 3.1Å |
| 188 | G | 86.5 | Confident | 86.8 | Confident | 68 Ų | 68 | 84.4 Ų | 84.4 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 10.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E184 F185 | E184-G188 PolarHBondContact O-N 3.28Å; E184-G188 VanDerWaalsContact O-N 3.16Å; F185-G188 PolarHBondContact O-N 3.47Å |
| 189 | N | 90.1 | Very high | 86.8 | Confident | 125 Ų | 125 | 83.3 Ų | 83.3 | 67% | 0.668 | 42% | 0.421 | S | S | * | . | trans | -108 | 4.6 | -174.1 | -62.8 | 109.7 | 0 | 0 | 0 | 115.1 | E184 R187 A191 | E184-N189 PolarHBondContact O-N 3.05Å; R187-N189 PolarHBondContact O-OD1 3.1Å; N189-A191 PolarHBondContact O-N 3.09Å | ||
| 190 | C | 89.5 | Confident | 86.9 | Confident | 23 Ų | 23 | 82.8 Ų | 82.8 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | trans | -76.5 | 92.2 | -178.5 | -170 | 0 | 0 | 0 | 0 | 113.1 | E184 F185 R192 H201 | E184-C190 HydrophobicContact CB-CB 3.89Å; E184-C190 PolarHBondContact O-N 3.16Å; F185-C190 HydrophobicContact CB-CB 3.84Å; C190-R192 PolarHBondContact O-N 3.46Å; C190-H201 PolarHBondContact SG-CE1 3.17Å; C190-H201 PolarHBondContact SG-NE2 3.29Å; C190-H201 VanDerWaalsContact SG-NE2 3.42Å | ||
| 191 | A | 87.1 | Confident | 86.8 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 88% | 0.876 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 1.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N189 | N189-A191 PolarHBondContact O-N 3.09Š|
| 192 | R | 85.3 | Confident | 86.6 | Confident | 160 Ų | 160 | 79.2 Ų | 79.2 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -2.6 | -175.8 | -58.3 | -178.8 | -169.8 | 138.5 | 5.9 | 114.4 | C190 C197 | C190-R192 PolarHBondContact O-N 3.46Å; R192-C197 HydrophobicContact CB-CB 4.5Å |
| 193 | G | 75.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | 63.8 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T195 C197 H201 | G193-T195 VanDerWaalsContact C-N 3.35Å; G193-C197 VanDerWaalsContact O-CB 3.3Å; G193-C197 WeakPolarHBondContact O-CB 3.49Å; G193-H201 VanDerWaalsContact C-CE1 3.46Å; G193-H201 PolarHBondContact O-CE1 2.98Å; G193-H201 PolarHBondContact O-ND1 3.21Å |
| 194 | E | 78 | Confident | 85.3 | Confident | 92 Ų | 92 | 81.6 Ų | 81.6 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.3 | -25.7 | 176.5 | 170.8 | 170.9 | -161.8 | 0 | 0 | 112.6 | H201 P237 | E194-H201 HydrophobicContact CB-CB 4.23Å; E194-H201 HydrophobicContact CG-CB 4.36Å; E194-P237 HydrophobicContact CG-CG 3.31Å; E194-P237 VanDerWaalsContact OE1-CG 3.31Å; E194-P237 WeakPolarHBondContact OE1-CG 3.47Å |
| 195 | T | 76.9 | Confident | 84.4 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.3 | -46.1 | -177.2 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | G193 H239 | G193-T195 VanDerWaalsContact C-N 3.35Å; T195-H239 WeakPolarHBondContact O-CB 3.42Å; T195-H239 PolarHBondContact O-ND1 2.96Å |
| 196 | D | 82.6 | Confident | 83.7 | Confident | 118 Ų | 118 | 83.9 Ų | 83.9 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -113.2 | 1.2 | -165.8 | -60.3 | -85.5 | 0 | 0 | 0 | 113.5 | ||
| 197 | C | 88.8 | Confident | 83 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 46% | 0.462 | C | S | . | . | trans | -69 | 147.5 | 173 | -164.8 | 0 | 0 | 0 | 0 | 112.5 | C182 R192 G193 F199 H201 H239 | C182-C197 VanDerWaalsContact SG-SG 3.68Å; R192-C197 HydrophobicContact CB-CB 4.5Å; G193-C197 VanDerWaalsContact O-CB 3.3Å; G193-C197 WeakPolarHBondContact O-CB 3.49Å; C197-F199 VanDerWaalsContact C-N 3.26Å; C197-F199 PolarHBondContact O-N 3.48Å; C197-H201 VanDerWaalsContact CB-NE2 3.34Å; C197-H201 WeakPolarHBondContact CB-NE2 3.24Å; C197-H201 PolarHBondContact SG-NE2 3.31Å; C197-H239 PolarHBondContact O-CE1 3.46Å; C197-H239 VanDerWaalsContact O-CE1 3.25Å; C197-H239 PolarHBondContact O-ND1 3.44Å | ||
| 198 | R | 86.1 | Confident | 82.8 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -73.3 | -19.1 | 177.6 | -174.4 | 67.2 | 167.9 | -149.7 | -5.7 | 112.9 | K243 | R198-K243 PolarHBondContact O-NZ 3.37Š|
| 199 | F | 88.8 | Confident | 82.8 | Confident | 59 Ų | 59 | 73.6 Ų | 73.6 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -127.2 | 163.4 | -168.8 | -55 | -75.7 | 0 | 0 | 0 | 110.4 | E180 C182 C197 | E180-F199 HydrophobicContact CB-CD1 4.11Å; E180-F199 HydrophobicContact CG-CD1 4.07Å; E180-F199 HydrophobicContact CG-CE1 4.33Å; E180-F199 WeakPolarHBondContact O-CB 3.4Å; E180-F199 WeakPolarHBondContact OE2-CE1 3.41Å; C182-F199 HydrophobicContact CB-CB 3.81Å; C197-F199 VanDerWaalsContact C-N 3.26Å; C197-F199 PolarHBondContact O-N 3.48Å |
| 200 | A | 89.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 142.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L179 E180 V181 C182 P202 V215 F234 | L179-A200 HydrophobicContact CB-CB 4.13Å; L179-A200 HydrophobicContact CD1-CB 4.22Å; E180-A200 PolarHBondContact O-N 3.32Å; V181-A200 WeakPolarHBondContact CA-O 3.36Å; C182-A200 PolarHBondContact N-O 2.79Å; A200-P202 WeakPolarHBondContact O-CD 3.35Å; A200-V215 HydrophobicContact CB-CG2 3.69Å; A200-F234 HydrophobicContact CB-CD1 4.39Å; A200-F234 HydrophobicContact CB-CE1 3.84Å; A200-F234 HydrophobicContact CB-CZ 4.35Å |
| 201 | H | 89.2 | Confident | 82.1 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | trans | -112.2 | 82.7 | 170 | -72.2 | -165.4 | 0 | 0 | 0 | 109 | C182 F185 C190 G193 E194 C197 A203 | C182-H201 WeakPolarHBondContact CB-CD2 3.38Å; C182-H201 WeakPolarHBondContact CB-NE2 3.45Å; F185-H201 HydrophobicContact CD1-CB 3.97Å; F185-H201 HydrophobicContact CD2-CB 4.21Å; F185-H201 AromaticContact CD2-CE1 3.72Å; F185-H201 AromaticContact CD2-CG 3.7Å; F185-H201 AromaticContact CD2-ND1 3.36Å; F185-H201 WeakPolarHBondContact CD2-ND1 3.33Å; F185-H201 HydrophobicContact CE1-CB 3.95Å; F185-H201 HydrophobicContact CE2-CB 4.19Å; F185-H201 AromaticContact CE2-ND1 3.78Å; F185-H201 HydrophobicContact CG-CB 4.1Å; F185-H201 AromaticContact CG-CD2 3.83Å; F185-H201 AromaticContact CG-CG 3.64Å; F185-H201 AromaticContact CG-ND1 3.76Å; F185-H201 HydrophobicContact CZ-CB 4.06Å; C190-H201 PolarHBondContact SG-CE1 3.17Å; C190-H201 PolarHBondContact SG-NE2 3.29Å; C190-H201 VanDerWaalsContact SG-NE2 3.42Å; G193-H201 VanDerWaalsContact C-CE1 3.46Å; G193-H201 PolarHBondContact O-CE1 2.98Å; G193-H201 PolarHBondContact O-ND1 3.21Å; E194-H201 HydrophobicContact CB-CB 4.23Å; E194-H201 HydrophobicContact CG-CB 4.36Å; C197-H201 VanDerWaalsContact CB-NE2 3.34Å; C197-H201 WeakPolarHBondContact CB-NE2 3.24Å; C197-H201 PolarHBondContact SG-NE2 3.31Å; H201-A203 PolarHBondContact O-N 3.28Å | ||
| 202 | P | 86.2 | Confident | 81.8 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.032 | 42% | 0.423 | C | S | . | . | trans | -72.2 | 121.5 | 174.5 | 29.9 | -32.6 | 0 | 0 | 0 | 110 | V181 A200 D204 I208 V215 | V181-P202 HydrophobicContact CG1-CG 4.02Å; V181-P202 HydrophobicContact CG2-CG 4.01Å; A200-P202 WeakPolarHBondContact O-CD 3.35Å; P202-D204 VanDerWaalsContact C-N 3.28Å; P202-D204 PolarHBondContact O-N 3.16Å; P202-I208 HydrophobicContact CG-CD1 3.85Å; P202-I208 HydrophobicContact CG-CG1 3.83Å; P202-V215 HydrophobicContact CB-CG1 4.03Å; P202-V215 HydrophobicContact CG-CG1 3.96Å | ||
| 203 | A | 78.3 | Confident | 81.9 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 78% | 0.777 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -63.2 | -37.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H201 | H201-A203 PolarHBondContact O-N 3.28Š|
| 204 | D | 76.8 | Confident | 82.5 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | trans | -93.7 | 99.4 | 175.9 | -68.9 | -50.2 | 0 | 0 | 0 | 111.2 | P202 T206 M207 | P202-D204 VanDerWaalsContact C-N 3.28Å; P202-D204 PolarHBondContact O-N 3.16Å; D204-T206 PolarHBondContact O-N 3.07Å; D204-M207 HydrophobicContact CB-CE 4.08Å; D204-M207 HydrophobicContact CB-CG 4.15Å; D204-M207 PolarHBondContact O-N 2.88Å | ||
| 205 | S | 71.3 | Confident | 83.1 | Confident | 88 Ų | 88 | 65 Ų | 65 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.9 | -16.1 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | M207 I208 | S205-M207 PolarHBondContact O-N 3.42Å; S205-I208 WeakPolarHBondContact O-CG1 3.14Å; S205-I208 PolarHBondContact O-N 2.88Å |
| 206 | T | 74.3 | Confident | 83.7 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -70.7 | -13 | 175.4 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | D204 | D204-T206 PolarHBondContact O-N 3.07Š|
| 207 | M | 75 | Confident | 84.2 | Confident | 66 Ų | 66 | 58 Ų | 58 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -91.2 | 0.1 | 175.7 | -57.8 | -166.1 | -168 | 0 | 0 | 113.7 | D204 S205 | D204-M207 HydrophobicContact CB-CE 4.08Å; D204-M207 HydrophobicContact CB-CG 4.15Å; D204-M207 PolarHBondContact O-N 2.88Å; S205-M207 PolarHBondContact O-N 3.42Å |
| 208 | I | 84.3 | Confident | 84.3 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.2 | -177.5 | -52 | 174.9 | 0 | 0 | 0 | 110.2 | V181 P202 S205 T210 V215 | V181-I208 HydrophobicContact CG1-CD1 4.27Å; V181-I208 HydrophobicContact CG2-CD1 4.4Å; V181-I208 HydrophobicContact CG2-CG1 4.2Å; V181-I208 HydrophobicContact CG2-CG2 4.18Å; P202-I208 HydrophobicContact CG-CD1 3.85Å; P202-I208 HydrophobicContact CG-CG1 3.83Å; S205-I208 WeakPolarHBondContact O-CG1 3.14Å; S205-I208 PolarHBondContact O-N 2.88Å; I208-T210 PolarHBondContact O-N 3.02Å; I208-V215 HydrophobicContact CG1-CG1 4.03Å |
| 209 | D | 84.9 | Confident | 84.5 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 33% | 0.326 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 105.7 | 166.9 | -176 | -12.2 | 0 | 0 | 0 | 109.3 | K178 S211 D212 N213 T214 | K178-D209 IonicContact NZ-OD2 3.98Å; K178-D209 PolarHBondContact NZ-OD2 2.76Å; D209-S211 PolarHBondContact O-N 2.88Å; D209-S211 WeakPolarHBondContact OD1-CB 3.5Å; D209-S211 PolarHBondContact OD1-N 3.48Å; D209-S211 VanDerWaalsContact OD1-N 3.15Å; D209-S211 PolarHBondContact OD1-OG 3.25Å; D209-D212 PolarHBondContact O-N 3.11Å; D209-N213 VanDerWaalsContact O-CA 3.24Å; D209-N213 WeakPolarHBondContact O-CA 3.43Å; D209-N213 PolarHBondContact O-N 3Å; D209-T214 WeakPolarHBondContact CB-O 3.43Å; D209-T214 PolarHBondContact N-O 2.81Å; D209-T214 PolarHBondContact O-N 2.93Å |
| 210 | T | 83.5 | Confident | 84.7 | Confident | 125 Ų | 125 | 52.3 Ų | 52.3 | 77% | 0.767 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.3 | -177.4 | -51.1 | 0 | 0 | 0 | 0 | 113.3 | I208 | I208-T210 PolarHBondContact O-N 3.02Š|
| 211 | S | 82.3 | Confident | 84.9 | Confident | 91 Ų | 91 | 56 Ų | 56 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -49.9 | -179 | 66.7 | 0 | 0 | 0 | 0 | 112 | D209 | D209-S211 PolarHBondContact O-N 2.88Å; D209-S211 WeakPolarHBondContact OD1-CB 3.5Å; D209-S211 PolarHBondContact OD1-N 3.48Å; D209-S211 VanDerWaalsContact OD1-N 3.15Å; D209-S211 PolarHBondContact OD1-OG 3.25Å |
| 212 | D | 81.4 | Confident | 85 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -12.3 | -177.8 | -74.7 | -26.5 | 0 | 0 | 0 | 113.6 | K178 D209 T214 | K178-D212 IonicContact NZ-OD2 2.67Å; K178-D212 PolarHBondContact NZ-OD2 3Å; D209-D212 PolarHBondContact O-N 3.11Å; D212-T214 HydrophobicContact CB-CG2 3.86Å; D212-T214 VanDerWaalsContact CB-OG1 3.31Å; D212-T214 WeakPolarHBondContact CB-OG1 3.14Å; D212-T214 PolarHBondContact O-N 3.02Å |
| 213 | N | 86.4 | Confident | 85.1 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 39 | -163.4 | -66.4 | -107.9 | 0 | 0 | 0 | 112.5 | V181 D209 | V181-N213 PolarHBondContact N-O 3.37Å; D209-N213 VanDerWaalsContact O-CA 3.24Å; D209-N213 WeakPolarHBondContact O-CA 3.43Å; D209-N213 PolarHBondContact O-N 3Å |
| 214 | T | 88.9 | Confident | 85.7 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 150.2 | 179.7 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | K178 L179 D209 D212 | K178-T214 HydrophobicContact CB-CG2 4.29Å; K178-T214 PolarHBondContact NZ-OG1 2.96Å; L179-T214 CarbonylContact O-C 3.48Å; L179-T214 WeakPolarHBondContact O-CA 3.3Å; L179-T214 WeakPolarHBondContact O-CB 3.34Å; D209-T214 WeakPolarHBondContact CB-O 3.43Å; D209-T214 PolarHBondContact N-O 2.81Å; D209-T214 PolarHBondContact O-N 2.93Å; D212-T214 HydrophobicContact CB-CG2 3.86Å; D212-T214 VanDerWaalsContact CB-OG1 3.31Å; D212-T214 WeakPolarHBondContact CB-OG1 3.14Å; D212-T214 PolarHBondContact O-N 3.02Å |
| 215 | V | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144 | 167.7 | -69 | 0 | 0 | 0 | 0 | 110.1 | K178 L179 V181 A200 P202 I208 F234 | K178-V215 WeakPolarHBondContact CA-O 3.28Å; L179-V215 HydrophobicContact CB-CG2 4.04Å; L179-V215 PolarHBondContact N-O 3.05Å; L179-V215 PolarHBondContact O-N 2.96Å; V181-V215 HydrophobicContact CG2-CG1 3.67Å; V181-V215 HydrophobicContact CG2-CG2 4.37Å; A200-V215 HydrophobicContact CB-CG2 3.69Å; P202-V215 HydrophobicContact CB-CG1 4.03Å; P202-V215 HydrophobicContact CG-CG1 3.96Å; I208-V215 HydrophobicContact CG1-CG1 4.03Å; V215-F234 HydrophobicContact CB-CB 4.41Å; V215-F234 HydrophobicContact CG2-CB 4.33Å; V215-F234 HydrophobicContact CG2-CD1 4.06Å; V215-F234 HydrophobicContact CG2-CG 4.27Å |
| 216 | T | 90.5 | Very high | 87.4 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.4 | 174.4 | -59 | 0 | 0 | 0 | 0 | 109.9 | Y233 F234 | T216-Y233 HydrophobicContact CG2-CD1 3.79Å; T216-Y233 HydrophobicContact CG2-CE1 4.16Å; T216-F234 PolarHBondContact O-N 2.91Å |
| 217 | V | 91.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -84.8 | 146.8 | -176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | D177 L179 M219 I222 P236 I244 | D177-V217 WeakPolarHBondContact O-CB 3.22Å; D177-V217 WeakPolarHBondContact O-CG2 3.42Å; D177-V217 PolarHBondContact O-N 3.39Å; L179-V217 HydrophobicContact CB-CG2 4.35Å; L179-V217 HydrophobicContact CD1-CG2 3.78Å; L179-V217 HydrophobicContact CG-CG2 3.79Å; V217-M219 HydrophobicContact CB-CE 3.94Å; V217-M219 HydrophobicContact CG1-CE 3.78Å; V217-M219 PolarHBondContact O-N 2.93Å; V217-I222 HydrophobicContact CG1-CD1 3.9Å; V217-I222 HydrophobicContact CG1-CG1 3.62Å; V217-P236 HydrophobicContact CG1-CG 3.79Å; V217-P236 HydrophobicContact CG2-CG 4.43Å; V217-I244 HydrophobicContact CG1-CD1 4.07Å; V217-I244 HydrophobicContact CG2-CD1 3.94Å |
| 218 | C | 92.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | trans | -72.6 | 96.1 | 167.9 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | D220 Y221 I222 C231 F234 H235 | C218-D220 PolarHBondContact O-N 3.21Å; C218-D220 VanDerWaalsContact O-N 3.16Å; C218-Y221 WeakPolarHBondContact O-CA 3.49Å; C218-Y221 WeakPolarHBondContact O-CB 3.44Å; C218-Y221 PolarHBondContact O-N 2.88Å; C218-Y221 PolarHBondContact SG-N 3.46Å; C218-I222 PolarHBondContact O-N 3.37Å; C218-I222 VanDerWaalsContact O-N 3.08Å; C218-C231 VanDerWaalsContact SG-SG 3.6Å; C218-F234 PolarHBondContact N-O 3.42Å; C218-H235 VanDerWaalsContact CB-CD2 3.45Å; C218-H235 WeakPolarHBondContact CB-CD2 3.46Å | ||
| 219 | M | 90.4 | Very high | 88.9 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 20% | 0.197 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.7 | -33.9 | 174 | -73.3 | -67.6 | 101.9 | 0 | 0 | 113.2 | D177 V217 I222 K223 I244 Q248 | D177-M219 HydrophobicContact CB-CE 4.3Å; D177-M219 HydrophobicContact CB-SD 4.45Å; D177-M219 WeakPolarHBondContact OD2-CE 3.31Å; D177-M219 VanDerWaalsContact OD2-CG 3.22Å; D177-M219 WeakPolarHBondContact OD2-CG 3.38Å; V217-M219 HydrophobicContact CB-CE 3.94Å; V217-M219 HydrophobicContact CG1-CE 3.78Å; V217-M219 PolarHBondContact O-N 2.93Å; M219-I222 HydrophobicContact CE-CG1 3.94Å; M219-I222 PolarHBondContact O-N 3.35Å; M219-K223 WeakPolarHBondContact O-CE 3.46Å; M219-K223 WeakPolarHBondContact O-CG 3.37Å; M219-K223 PolarHBondContact O-N 3.45Å; M219-K223 VanDerWaalsContact O-N 3.09Å; M219-I244 HydrophobicContact CE-CG2 4.14Å; M219-Q248 PolarHBondContact SD-NE2 3.4Å |
| 220 | D | 91.9 | Very high | 88.9 | Confident | 62 Ų | 62 | 82.1 Ų | 82.1 | 33% | 0.332 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -74.2 | -24.6 | 176.1 | -74.6 | -52.2 | 0 | 0 | 0 | 113.7 | C218 K223 G224 R225 C226 | C218-D220 PolarHBondContact O-N 3.21Å; C218-D220 VanDerWaalsContact O-N 3.16Å; D220-K223 PolarHBondContact O-N 2.97Å; D220-K223 WeakPolarHBondContact OD1-CE 3.49Å; D220-K223 IonicContact OD1-NZ 3.01Å; D220-K223 PolarHBondContact OD1-NZ 2.98Å; D220-K223 IonicContact OD2-NZ 3.25Å; D220-G224 PolarHBondContact O-N 3.49Å; D220-R225 HydrophobicContact CB-CB 4.33Å; D220-R225 CarbonylContact O-C 3.46Å; D220-R225 WeakPolarHBondContact O-CA 3.42Å; D220-R225 PolarHBondContact O-N 3.39Å; D220-R225 IonicContact OD1-CZ 2.76Å; D220-R225 VanDerWaalsContact OD1-CZ 3.25Å; D220-R225 IonicContact OD1-NE 2.73Å; D220-R225 PolarHBondContact OD1-NE 3.36Å; D220-R225 IonicContact OD1-NH2 3.46Å; D220-R225 PolarHBondContact OD1-NH2 2.72Å; D220-C226 HydrophobicContact CB-CB 4.28Å; D220-C226 PolarHBondContact O-N 2.92Å |
| 221 | Y | 93.3 | Very high | 89.2 | Confident | 79 Ų | 79 | 77.1 Ų | 77.1 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 167.9 | -177 | -106.4 | 0 | 0 | 0 | 111.2 | C218 K223 G224 C226 H235 Q241 | C218-Y221 WeakPolarHBondContact O-CA 3.49Å; C218-Y221 WeakPolarHBondContact O-CB 3.44Å; C218-Y221 PolarHBondContact O-N 2.88Å; C218-Y221 PolarHBondContact SG-N 3.46Å; Y221-K223 PolarHBondContact O-N 3.23Å; Y221-G224 PolarHBondContact O-N 2.93Å; Y221-C226 HydrophobicContact CD2-CB 4.45Å; Y221-H235 HydrophobicContact CD1-CB 3.86Å; Y221-H235 AromaticContact CD1-CG 3.89Å; Y221-H235 HydrophobicContact CD2-CB 4.42Å; Y221-H235 AromaticContact CD2-CD2 3.99Å; Y221-H235 AromaticContact CD2-CE1 3.68Å; Y221-H235 AromaticContact CD2-CG 3.79Å; Y221-H235 AromaticContact CD2-ND1 3.6Å; Y221-H235 AromaticContact CD2-NE2 3.91Å; Y221-H235 HydrophobicContact CE1-CB 3.78Å; Y221-H235 HydrophobicContact CE2-CB 4.36Å; Y221-H235 AromaticContact CE2-ND1 3.79Å; Y221-H235 HydrophobicContact CG-CB 4.18Å; Y221-H235 AromaticContact CG-CD2 3.61Å; Y221-H235 AromaticContact CG-CG 3.69Å; Y221-H235 AromaticContact CG-ND1 3.99Å; Y221-H235 AromaticContact CG-NE2 3.84Å; Y221-Q241 VanDerWaalsContact CE1-NE2 3.35Å |
| 222 | I | 90.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 80.8 Ų | 80.8 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -53.9 | -37.8 | 172.9 | -62.1 | -55.9 | 0 | 0 | 0 | 111.8 | V217 C218 M219 P236 Q241 I244 K245 | V217-I222 HydrophobicContact CG1-CD1 3.9Å; V217-I222 HydrophobicContact CG1-CG1 3.62Å; C218-I222 PolarHBondContact O-N 3.37Å; C218-I222 VanDerWaalsContact O-N 3.08Å; M219-I222 HydrophobicContact CE-CG1 3.94Å; M219-I222 PolarHBondContact O-N 3.35Å; I222-P236 HydrophobicContact CD1-CG 3.68Å; I222-Q241 HydrophobicContact CD1-CB 4.2Å; I222-Q241 HydrophobicContact CD1-CG 3.83Å; I222-I244 HydrophobicContact CD1-CD1 3.98Å; I222-I244 HydrophobicContact CD1-CG2 4.41Å; I222-I244 HydrophobicContact CG1-CG2 4.28Å; I222-I244 HydrophobicContact CG2-CG2 4.18Å; I222-K245 HydrophobicContact CG2-CD 4.47Å; I222-K245 HydrophobicContact CG2-CG 3.87Å; I222-K245 WeakPolarHBondContact O-CE 3.44Å; I222-K245 PolarHBondContact O-NZ 3.28Å |
| 223 | K | 89.1 | Confident | 89.8 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 47% | 0.47 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 3 | 177.7 | -68 | 172.6 | -70.7 | 170.3 | 0 | 114.7 | M219 D220 Y221 R225 | M219-K223 WeakPolarHBondContact O-CE 3.46Å; M219-K223 WeakPolarHBondContact O-CG 3.37Å; M219-K223 PolarHBondContact O-N 3.45Å; M219-K223 VanDerWaalsContact O-N 3.09Å; D220-K223 PolarHBondContact O-N 2.97Å; D220-K223 WeakPolarHBondContact OD1-CE 3.49Å; D220-K223 IonicContact OD1-NZ 3.01Å; D220-K223 PolarHBondContact OD1-NZ 2.98Å; D220-K223 IonicContact OD2-NZ 3.25Å; Y221-K223 PolarHBondContact O-N 3.23Å; K223-R225 VanDerWaalsContact C-N 3.34Å; K223-R225 HydrophobicContact CB-CG 4.23Å; K223-R225 WeakPolarHBondContact O-CG 3.49Å; K223-R225 PolarHBondContact O-N 2.96Å |
| 224 | G | 90.2 | Very high | 90.1 | Very high | 71 Ų | 71 | 80.8 Ų | 80.8 | 73% | 0.732 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 25.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | D220 Y221 | D220-G224 PolarHBondContact O-N 3.49Å; Y221-G224 PolarHBondContact O-N 2.93Å |
| 225 | R | 90.9 | Very high | 90.2 | Very high | 165 Ų | 165 | 82.4 Ų | 82.4 | 62% | 0.623 | 39% | 0.389 | S | S | * | . | trans | -114.8 | -11 | -178.1 | -48.8 | -166.1 | -55.2 | 176.7 | 8.6 | 114.1 | D220 K223 | D220-R225 HydrophobicContact CB-CB 4.33Å; D220-R225 CarbonylContact O-C 3.46Å; D220-R225 WeakPolarHBondContact O-CA 3.42Å; D220-R225 PolarHBondContact O-N 3.39Å; D220-R225 IonicContact OD1-CZ 2.76Å; D220-R225 VanDerWaalsContact OD1-CZ 3.25Å; D220-R225 IonicContact OD1-NE 2.73Å; D220-R225 PolarHBondContact OD1-NE 3.36Å; D220-R225 IonicContact OD1-NH2 3.46Å; D220-R225 PolarHBondContact OD1-NH2 2.72Å; K223-R225 VanDerWaalsContact C-N 3.34Å; K223-R225 HydrophobicContact CB-CG 4.23Å; K223-R225 WeakPolarHBondContact O-CG 3.49Å; K223-R225 PolarHBondContact O-N 2.96Å | ||
| 226 | C | 92.7 | Very high | 90.1 | Very high | 26 Ų | 26 | 82.5 Ų | 82.5 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | trans | -85.1 | 125.5 | 173.2 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | D220 Y221 H235 | D220-C226 HydrophobicContact CB-CB 4.28Å; D220-C226 PolarHBondContact O-N 2.92Å; Y221-C226 HydrophobicContact CD2-CB 4.45Å; C226-H235 PolarHBondContact SG-NE2 3.45Å; C226-H235 VanDerWaalsContact SG-NE2 3.42Å | ||
| 227 | M | 89.7 | Confident | 90.1 | Very high | 172 Ų | 172 | 81 Ų | 81 | 85% | 0.847 | 38% | 0.38 | S | S | * | . | trans | -127.7 | 36.8 | 177.1 | 55.2 | 172.3 | 58.1 | 0 | 0 | 110.7 | ||||
| 228 | R | 92.6 | Very high | 89.9 | Confident | 182 Ų | 182 | 84.5 Ų | 84.5 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | trans | -112.1 | 113.1 | 178.3 | -69.3 | -177.3 | 177.5 | 128.6 | -2.3 | 109.5 | K230 H235 | R228-K230 VanDerWaalsContact C-N 3.35Å; R228-K230 PolarHBondContact O-N 3.23Å; R228-H235 PolarHBondContact O-CE1 2.92Å | ||
| 229 | E | 83.3 | Confident | 89.8 | Confident | 182 Ų | 182 | 88.2 Ų | 88.2 | 85% | 0.85 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -56.6 | -48.3 | 174.2 | -56.4 | -49.4 | 107.4 | 0 | 0 | 111.5 | C231 | E229-C231 PolarHBondContact O-N 2.96Š|
| 230 | K | 85.3 | Confident | 89.7 | Confident | 206 Ų | 206 | 86.3 Ų | 86.3 | 90% | 0.896 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -96.1 | 77.5 | 173.2 | -62.8 | -170.3 | 179.8 | -173.8 | 0 | 110.2 | R228 | R228-K230 VanDerWaalsContact C-N 3.35Å; R228-K230 PolarHBondContact O-N 3.23Å |
| 231 | C | 89.1 | Confident | 89.6 | Confident | 20 Ų | 20 | 85 Ų | 85 | 14% | 0.135 | 41% | 0.409 | C | S | . | . | trans | -82.8 | 146.5 | 175.3 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | C218 E229 Y233 H235 | C218-C231 VanDerWaalsContact SG-SG 3.6Å; E229-C231 PolarHBondContact O-N 2.96Å; C231-Y233 PolarHBondContact O-N 3.46Å; C231-H235 WeakPolarHBondContact CB-NE2 3.5Å; C231-H235 PolarHBondContact SG-NE2 3.47Å | ||
| 232 | K | 88.1 | Confident | 89.4 | Confident | 167 Ų | 167 | 83.9 Ų | 83.9 | 73% | 0.726 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -69 | -20.9 | 174.3 | 178.9 | 174.4 | 177.6 | -175.9 | 0 | 113.2 | ||
| 233 | Y | 89.8 | Confident | 89.2 | Confident | 107 Ų | 107 | 87.8 Ų | 87.8 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -121.2 | 147 | -172.6 | -52.6 | -67.9 | 0 | 0 | 0 | 110.3 | T216 C231 H235 | T216-Y233 HydrophobicContact CG2-CD1 3.79Å; T216-Y233 HydrophobicContact CG2-CE1 4.16Å; C231-Y233 PolarHBondContact O-N 3.46Å; Y233-H235 PolarHBondContact O-CD2 3.37Å |
| 234 | F | 91.1 | Very high | 89.2 | Confident | 21 Ų | 21 | 83 Ų | 83 | 9% | 0.092 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 138 | -172.4 | -176.7 | -117 | 0 | 0 | 0 | 112.3 | L179 A200 V215 T216 C218 P236 | L179-F234 HydrophobicContact CD1-CD1 4.47Å; L179-F234 HydrophobicContact CD1-CE1 4.46Å; A200-F234 HydrophobicContact CB-CD1 4.39Å; A200-F234 HydrophobicContact CB-CE1 3.84Å; A200-F234 HydrophobicContact CB-CZ 4.35Å; V215-F234 HydrophobicContact CB-CB 4.41Å; V215-F234 HydrophobicContact CG2-CB 4.33Å; V215-F234 HydrophobicContact CG2-CD1 4.06Å; V215-F234 HydrophobicContact CG2-CG 4.27Å; T216-F234 PolarHBondContact O-N 2.91Å; C218-F234 PolarHBondContact N-O 3.42Å; F234-P236 HydrophobicContact CD1-CB 4.1Å; F234-P236 HydrophobicContact CE1-CB 3.79Å; F234-P236 WeakPolarHBondContact O-CD 3.17Å |
| 235 | H | 91.1 | Very high | 89.2 | Confident | 51 Ų | 51 | 84 Ų | 84 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | trans | -104.3 | 88.1 | 177.3 | -78.5 | -171.4 | 0 | 0 | 0 | 109.6 | C218 Y221 C226 R228 C231 Y233 | C218-H235 VanDerWaalsContact CB-CD2 3.45Å; C218-H235 WeakPolarHBondContact CB-CD2 3.46Å; Y221-H235 HydrophobicContact CD1-CB 3.86Å; Y221-H235 AromaticContact CD1-CG 3.89Å; Y221-H235 HydrophobicContact CD2-CB 4.42Å; Y221-H235 AromaticContact CD2-CD2 3.99Å; Y221-H235 AromaticContact CD2-CE1 3.68Å; Y221-H235 AromaticContact CD2-CG 3.79Å; Y221-H235 AromaticContact CD2-ND1 3.6Å; Y221-H235 AromaticContact CD2-NE2 3.91Å; Y221-H235 HydrophobicContact CE1-CB 3.78Å; Y221-H235 HydrophobicContact CE2-CB 4.36Å; Y221-H235 AromaticContact CE2-ND1 3.79Å; Y221-H235 HydrophobicContact CG-CB 4.18Å; Y221-H235 AromaticContact CG-CD2 3.61Å; Y221-H235 AromaticContact CG-CG 3.69Å; Y221-H235 AromaticContact CG-ND1 3.99Å; Y221-H235 AromaticContact CG-NE2 3.84Å; C226-H235 PolarHBondContact SG-NE2 3.45Å; C226-H235 VanDerWaalsContact SG-NE2 3.42Å; R228-H235 PolarHBondContact O-CE1 2.92Å; C231-H235 WeakPolarHBondContact CB-NE2 3.5Å; C231-H235 PolarHBondContact SG-NE2 3.47Å; Y233-H235 PolarHBondContact O-CD2 3.37Å | ||
| 236 | P | 89.1 | Confident | 89 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | trans | -68 | 148.4 | -171.4 | 23.1 | -33.7 | 0 | 0 | 0 | 114 | L179 V217 I222 F234 L240 Q241 I244 | L179-P236 HydrophobicContact CD1-CB 4.16Å; V217-P236 HydrophobicContact CG1-CG 3.79Å; V217-P236 HydrophobicContact CG2-CG 4.43Å; I222-P236 HydrophobicContact CD1-CG 3.68Å; F234-P236 HydrophobicContact CD1-CB 4.1Å; F234-P236 HydrophobicContact CE1-CB 3.79Å; F234-P236 WeakPolarHBondContact O-CD 3.17Å; P236-L240 HydrophobicContact CB-CB 3.87Å; P236-Q241 HydrophobicContact CG-CG 4.15Å; P236-Q241 VanDerWaalsContact O-CG 3.23Å; P236-Q241 WeakPolarHBondContact O-CG 3.36Å; P236-Q241 PolarHBondContact O-NE2 3.32Å; P236-I244 HydrophobicContact CG-CD1 3.94Å | ||
| 237 | P | 89.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | trans | -56.4 | 158.8 | 169.3 | -25.2 | 32.3 | 0 | 0 | 0 | 114.1 | E194 H239 L240 Q241 | E194-P237 HydrophobicContact CG-CG 3.31Å; E194-P237 VanDerWaalsContact OE1-CG 3.31Å; E194-P237 WeakPolarHBondContact OE1-CG 3.47Å; P237-H239 VanDerWaalsContact C-N 3.29Å; P237-H239 PolarHBondContact O-N 2.96Å; P237-H239 VanDerWaalsContact O-N 3.14Å; P237-L240 PolarHBondContact O-N 2.82Å; P237-Q241 WeakPolarHBondContact O-CG 3.48Å; P237-Q241 PolarHBondContact O-N 3.4Å | ||
| 238 | A | 88.5 | Confident | 88.5 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -51.2 | -40.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q241 A242 | A238-Q241 PolarHBondContact O-N 3.05Å; A238-A242 PolarHBondContact O-N 3.37Å |
| 239 | H | 88.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 39% | 0.389 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 175.2 | 167.9 | -137.7 | 0 | 0 | 0 | 112.3 | T195 C197 P237 A242 K243 | T195-H239 WeakPolarHBondContact O-CB 3.42Å; T195-H239 PolarHBondContact O-ND1 2.96Å; C197-H239 PolarHBondContact O-CE1 3.46Å; C197-H239 VanDerWaalsContact O-CE1 3.25Å; C197-H239 PolarHBondContact O-ND1 3.44Å; P237-H239 VanDerWaalsContact C-N 3.29Å; P237-H239 PolarHBondContact O-N 2.96Å; P237-H239 VanDerWaalsContact O-N 3.14Å; H239-A242 PolarHBondContact O-N 3.19Å; H239-K243 PolarHBondContact O-N 2.97Å |
| 240 | L | 88.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.6 | -30.7 | 178.2 | -63.7 | -177.7 | 0 | 0 | 0 | 112.2 | L179 P236 P237 K243 I244 | L179-L240 HydrophobicContact CD1-CB 4.3Å; L179-L240 HydrophobicContact CD1-CD1 4.21Å; P236-L240 HydrophobicContact CB-CB 3.87Å; P237-L240 PolarHBondContact O-N 2.82Å; L240-K243 HydrophobicContact CD2-CD 4.12Å; L240-K243 WeakPolarHBondContact O-CB 3.38Å; L240-K243 PolarHBondContact O-N 2.69Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 WeakPolarHBondContact O-CG1 3.35Å; L240-I244 PolarHBondContact O-N 3.15Å |
| 241 | Q | 90.7 | Very high | 87.9 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 169.7 | -64.7 | -177.7 | 33.9 | 0 | 0 | 112.1 | Y221 I222 P236 P237 A238 I244 K245 | Y221-Q241 VanDerWaalsContact CE1-NE2 3.35Å; I222-Q241 HydrophobicContact CD1-CB 4.2Å; I222-Q241 HydrophobicContact CD1-CG 3.83Å; P236-Q241 HydrophobicContact CG-CG 4.15Å; P236-Q241 VanDerWaalsContact O-CG 3.23Å; P236-Q241 WeakPolarHBondContact O-CG 3.36Å; P236-Q241 PolarHBondContact O-NE2 3.32Å; P237-Q241 WeakPolarHBondContact O-CG 3.48Å; P237-Q241 PolarHBondContact O-N 3.4Å; A238-Q241 PolarHBondContact O-N 3.05Å; Q241-I244 PolarHBondContact O-N 3.42Å; Q241-K245 WeakPolarHBondContact O-CB 3.44Å; Q241-K245 WeakPolarHBondContact O-CD 3.4Å; Q241-K245 VanDerWaalsContact O-CG 3.24Å; Q241-K245 WeakPolarHBondContact O-CG 3.45Å; Q241-K245 PolarHBondContact O-N 2.59Å; Q241-K245 VanDerWaalsContact OE1-NZ 3.13Å |
| 242 | A | 88.7 | Confident | 87.5 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A238 H239 I244 K245 A246 | A238-A242 PolarHBondContact O-N 3.37Å; H239-A242 PolarHBondContact O-N 3.19Å; A242-I244 PolarHBondContact O-N 3.17Å; A242-K245 PolarHBondContact O-N 3.49Å; A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 2.92Å |
| 243 | K | 86.8 | Confident | 86.9 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.2 | -46.2 | 173.8 | -173.6 | -173.9 | 178.9 | -166.4 | 0 | 112.1 | R198 H239 L240 A247 | R198-K243 PolarHBondContact O-NZ 3.37Å; H239-K243 PolarHBondContact O-N 2.97Å; L240-K243 HydrophobicContact CD2-CD 4.12Å; L240-K243 WeakPolarHBondContact O-CB 3.38Å; L240-K243 PolarHBondContact O-N 2.69Å; K243-A247 PolarHBondContact O-N 3Å; K243-A247 VanDerWaalsContact O-N 3.1Å |
| 244 | I | 89.4 | Confident | 86.2 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 177.5 | -67.9 | 160.8 | 0 | 0 | 0 | 111.7 | L179 V217 M219 I222 P236 L240 Q241 A242 A246 A247 Q248 | L179-I244 HydrophobicContact CD1-CD1 3.93Å; L179-I244 HydrophobicContact CD2-CD1 4.24Å; L179-I244 HydrophobicContact CD2-CG1 4.19Å; L179-I244 HydrophobicContact CG-CD1 4.1Å; V217-I244 HydrophobicContact CG1-CD1 4.07Å; V217-I244 HydrophobicContact CG2-CD1 3.94Å; M219-I244 HydrophobicContact CE-CG2 4.14Å; I222-I244 HydrophobicContact CD1-CD1 3.98Å; I222-I244 HydrophobicContact CD1-CG2 4.41Å; I222-I244 HydrophobicContact CG1-CG2 4.28Å; I222-I244 HydrophobicContact CG2-CG2 4.18Å; P236-I244 HydrophobicContact CG-CD1 3.94Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 WeakPolarHBondContact O-CG1 3.35Å; L240-I244 PolarHBondContact O-N 3.15Å; Q241-I244 PolarHBondContact O-N 3.42Å; A242-I244 PolarHBondContact O-N 3.17Å; I244-A246 VanDerWaalsContact C-N 3.28Å; I244-A246 PolarHBondContact O-N 2.92Å; I244-A247 PolarHBondContact O-N 3.27Å; I244-Q248 HydrophobicContact CG2-CG 4.35Å; I244-Q248 WeakPolarHBondContact O-CB 3.43Å; I244-Q248 WeakPolarHBondContact O-CG 3.24Å; I244-Q248 PolarHBondContact O-N 3.37Å |
| 245 | K | 89.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 59 Ų | 59 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | -179.8 | -72.4 | 165.2 | -179.8 | 171.4 | 0 | 111.4 | I222 Q241 A242 H249 | I222-K245 HydrophobicContact CG2-CD 4.47Å; I222-K245 HydrophobicContact CG2-CG 3.87Å; I222-K245 WeakPolarHBondContact O-CE 3.44Å; I222-K245 PolarHBondContact O-NZ 3.28Å; Q241-K245 WeakPolarHBondContact O-CB 3.44Å; Q241-K245 WeakPolarHBondContact O-CD 3.4Å; Q241-K245 VanDerWaalsContact O-CG 3.24Å; Q241-K245 WeakPolarHBondContact O-CG 3.45Å; Q241-K245 PolarHBondContact O-N 2.59Å; Q241-K245 VanDerWaalsContact OE1-NZ 3.13Å; A242-K245 PolarHBondContact O-N 3.49Å; K245-H249 PolarHBondContact O-N 3.49Å; K245-H249 VanDerWaalsContact O-N 3.09Å |
| 246 | A | 87.3 | Confident | 84.6 | Confident | 48 Ų | 48 | 61 Ų | 61 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A242 I244 Q248 H249 Q250 | A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 2.92Å; I244-A246 VanDerWaalsContact C-N 3.28Å; I244-A246 PolarHBondContact O-N 2.92Å; A246-Q248 PolarHBondContact O-N 2.96Å; A246-H249 PolarHBondContact O-N 3.44Å; A246-H249 VanDerWaalsContact O-N 3.16Å; A246-Q250 WeakPolarHBondContact O-CG 3.35Å; A246-Q250 PolarHBondContact O-N 3.34Å |
| 247 | A | 86.4 | Confident | 83.7 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T176 K243 I244 H249 Q250 A251 | T176-A247 WeakPolarHBondContact OG1-CB 3.34Å; K243-A247 PolarHBondContact O-N 3Å; K243-A247 VanDerWaalsContact O-N 3.1Å; I244-A247 PolarHBondContact O-N 3.27Å; A247-H249 VanDerWaalsContact C-N 3.34Å; A247-H249 PolarHBondContact O-N 2.92Å; A247-Q250 PolarHBondContact O-N 2.96Å; A247-A251 WeakPolarHBondContact O-CB 3.41Å; A247-A251 PolarHBondContact O-N 2.99Å |
| 248 | Q | 85.8 | Confident | 82.6 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | 171.4 | -75.5 | 174.8 | -8.9 | 0 | 0 | 112.2 | T176 M219 I244 A246 A251 N252 | T176-Q248 HydrophobicContact CG2-CG 3.55Å; M219-Q248 PolarHBondContact SD-NE2 3.4Å; I244-Q248 HydrophobicContact CG2-CG 4.35Å; I244-Q248 WeakPolarHBondContact O-CB 3.43Å; I244-Q248 WeakPolarHBondContact O-CG 3.24Å; I244-Q248 PolarHBondContact O-N 3.37Å; A246-Q248 PolarHBondContact O-N 2.96Å; Q248-A251 PolarHBondContact O-N 3.43Å; Q248-N252 PolarHBondContact O-N 3.03Å; Q248-N252 PolarHBondContact O-OD1 3.3Å |
| 249 | H | 84.8 | Confident | 81.5 | Confident | 117 Ų | 117 | 68.4 Ų | 68.4 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 178.7 | -169.6 | 50.9 | 0 | 0 | 0 | 112 | K245 A246 A247 N252 Q253 | K245-H249 PolarHBondContact O-N 3.49Å; K245-H249 VanDerWaalsContact O-N 3.09Å; A246-H249 PolarHBondContact O-N 3.44Å; A246-H249 VanDerWaalsContact O-N 3.16Å; A247-H249 VanDerWaalsContact C-N 3.34Å; A247-H249 PolarHBondContact O-N 2.92Å; H249-N252 PolarHBondContact O-N 3.41Å; H249-Q253 PolarHBondContact CD2-NE2 3.34Å; H249-Q253 PolarHBondContact NE2-NE2 2.95Å; H249-Q253 WeakPolarHBondContact O-CG 3.5Å; H249-Q253 PolarHBondContact O-N 3.21Å |
| 250 | Q | 82.1 | Confident | 80.4 | Confident | 133 Ų | 133 | 67.4 Ų | 67.4 | 62% | 0.621 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 174.6 | -70.2 | 172.5 | -4 | 0 | 0 | 112.1 | A246 A247 N252 Q253 A254 | A246-Q250 WeakPolarHBondContact O-CG 3.35Å; A246-Q250 PolarHBondContact O-N 3.34Å; A247-Q250 PolarHBondContact O-N 2.96Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.34Å; Q250-Q253 PolarHBondContact O-N 3.38Å; Q250-A254 WeakPolarHBondContact O-CB 3.31Å; Q250-A254 PolarHBondContact O-N 3.24Å |
| 251 | A | 79.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 20% | 0.198 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L173 A247 Q248 A254 A255 | L173-A251 HydrophobicContact CD2-CB 4.24Å; A247-A251 WeakPolarHBondContact O-CB 3.41Å; A247-A251 PolarHBondContact O-N 2.99Å; Q248-A251 PolarHBondContact O-N 3.43Å; A251-A254 PolarHBondContact O-N 3.35Å; A251-A255 WeakPolarHBondContact O-CB 3.45Å; A251-A255 PolarHBondContact O-N 3.01Å |
| 252 | N | 80.8 | Confident | 77.6 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 59% | 0.594 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.8 | -40 | 175.1 | -75.8 | 13.7 | 0 | 0 | 0 | 112.4 | Q248 H249 Q250 A255 V256 | Q248-N252 PolarHBondContact O-N 3.03Å; Q248-N252 PolarHBondContact O-OD1 3.3Å; H249-N252 PolarHBondContact O-N 3.41Å; Q250-N252 VanDerWaalsContact C-N 3.32Å; Q250-N252 PolarHBondContact O-N 3.34Å; N252-A255 PolarHBondContact O-N 2.83Å; N252-V256 WeakPolarHBondContact O-CG2 3.48Å; N252-V256 PolarHBondContact O-N 3.42Å |
| 253 | Q | 75.9 | Confident | 76 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 173.7 | -72.5 | -178.6 | 24.9 | 0 | 0 | 111.4 | H249 Q250 A255 V256 A257 | H249-Q253 PolarHBondContact CD2-NE2 3.34Å; H249-Q253 PolarHBondContact NE2-NE2 2.95Å; H249-Q253 WeakPolarHBondContact O-CG 3.5Å; H249-Q253 PolarHBondContact O-N 3.21Å; Q250-Q253 PolarHBondContact O-N 3.38Å; Q253-A255 PolarHBondContact O-N 3.22Å; Q253-V256 PolarHBondContact O-N 3.46Å; Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.15Å |
| 254 | A | 75.9 | Confident | 74.4 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 51% | 0.512 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q250 A251 A257 A258 | Q250-A254 WeakPolarHBondContact O-CB 3.31Å; Q250-A254 PolarHBondContact O-N 3.24Å; A251-A254 PolarHBondContact O-N 3.35Å; A254-A257 PolarHBondContact O-N 3.41Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 3.08Å |
| 255 | A | 74.9 | Confident | 72.6 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A251 N252 Q253 A258 Q259 | A251-A255 WeakPolarHBondContact O-CB 3.45Å; A251-A255 PolarHBondContact O-N 3.01Å; N252-A255 PolarHBondContact O-N 2.83Å; Q253-A255 PolarHBondContact O-N 3.22Å; A255-A258 PolarHBondContact O-N 3.48Å; A255-Q259 WeakPolarHBondContact O-CB 3.37Å; A255-Q259 VanDerWaalsContact O-CG 3.28Å; A255-Q259 WeakPolarHBondContact O-CG 3.28Å; A255-Q259 PolarHBondContact O-N 3.17Å |
| 256 | V | 73.2 | Confident | 70.9 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | N252 Q253 Q259 A260 | N252-V256 WeakPolarHBondContact O-CG2 3.48Å; N252-V256 PolarHBondContact O-N 3.42Å; Q253-V256 PolarHBondContact O-N 3.46Å; V256-Q259 PolarHBondContact O-N 2.81Å; V256-A260 PolarHBondContact O-N 3.05Å |
| 257 | A | 69.8 | Low | 69.1 | Low | 60 Ų | 60 | 76.1 Ų | 76.1 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q253 A254 A260 A261 | Q253-A257 WeakPolarHBondContact O-CB 3.48Å; Q253-A257 PolarHBondContact O-N 3.15Å; A254-A257 PolarHBondContact O-N 3.41Å; A257-A260 PolarHBondContact O-N 3.15Å; A257-A261 PolarHBondContact O-N 3.41Å |
| 258 | A | 66.4 | Low | 67.4 | Low | 62 Ų | 62 | 81.7 Ų | 81.7 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A254 A255 A261 A262 | A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 3.08Å; A255-A258 PolarHBondContact O-N 3.48Å; A258-A261 PolarHBondContact O-N 3.47Å; A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 3.26Å |
| 259 | Q | 66.8 | Low | 65.7 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.5 | -39.6 | 174.8 | -74.3 | 171.2 | -5.8 | 0 | 0 | 112.2 | A255 V256 A262 A263 | A255-Q259 WeakPolarHBondContact O-CB 3.37Å; A255-Q259 VanDerWaalsContact O-CG 3.28Å; A255-Q259 WeakPolarHBondContact O-CG 3.28Å; A255-Q259 PolarHBondContact O-N 3.17Å; V256-Q259 PolarHBondContact O-N 2.81Å; Q259-A262 PolarHBondContact O-N 3.32Å; Q259-A263 PolarHBondContact O-N 2.95Å |
| 260 | A | 64.6 | Low | 63.9 | Low | 64 Ų | 64 | 87.1 Ų | 87.1 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V256 A257 A263 A264 | V256-A260 PolarHBondContact O-N 3.05Å; A257-A260 PolarHBondContact O-N 3.15Å; A260-A263 PolarHBondContact O-N 3.35Å; A260-A264 PolarHBondContact O-N 3.49Å; A260-A264 VanDerWaalsContact O-N 3.08Å |
| 261 | A | 60.7 | Low | 62 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A257 A258 A264 A265 | A257-A261 PolarHBondContact O-N 3.41Å; A258-A261 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 3.31Å; A261-A265 PolarHBondContact O-N 3.18Å |
| 262 | A | 59.1 | Low | 60.3 | Low | 58 Ų | 58 | 90.6 Ų | 90.6 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.3 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A258 Q259 A264 A265 T266 | A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 3.26Å; Q259-A262 PolarHBondContact O-N 3.32Å; A262-A264 PolarHBondContact O-N 3.33Å; A262-A265 PolarHBondContact O-N 2.72Å; A262-T266 PolarHBondContact O-N 2.79Å; A262-T266 PolarHBondContact O-OG1 2.8Å |
| 263 | A | 56.2 | Low | 58.5 | Low | 60 Ų | 60 | 89.7 Ų | 89.7 | 50% | 0.496 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q259 A260 A265 T266 V267 | Q259-A263 PolarHBondContact O-N 2.95Å; A260-A263 PolarHBondContact O-N 3.35Å; A263-A265 PolarHBondContact O-N 3.38Å; A263-T266 PolarHBondContact O-N 3.2Å; A263-V267 PolarHBondContact O-N 3.47Å |
| 264 | A | 52.4 | Low | 57.1 | Low | 60 Ų | 60 | 94.1 Ų | 94.1 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.1 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A260 A261 A262 T266 V267 | A260-A264 PolarHBondContact O-N 3.49Å; A260-A264 VanDerWaalsContact O-N 3.08Å; A261-A264 PolarHBondContact O-N 3.31Å; A262-A264 PolarHBondContact O-N 3.33Å; A264-T266 PolarHBondContact O-N 3.41Å; A264-V267 PolarHBondContact O-N 3.49Å |
| 265 | A | 52.7 | Low | 55.4 | Low | 59 Ų | 59 | 95.5 Ų | 95.5 | 49% | 0.488 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.4 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | A261 A262 A263 V267 M268 | A261-A265 PolarHBondContact O-N 3.18Å; A262-A265 PolarHBondContact O-N 2.72Å; A263-A265 PolarHBondContact O-N 3.38Å; A265-V267 VanDerWaalsContact C-N 3.29Å; A265-V267 PolarHBondContact O-N 3.43Å; A265-M268 PolarHBondContact O-N 2.91Å |
| 266 | T | 52.6 | Low | 53.7 | Low | 100 Ų | 100 | 103 Ų | 103 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.7 | -23.6 | 178 | -51.1 | 0 | 0 | 0 | 0 | 113.4 | A262 A263 A264 T269 | A262-T266 PolarHBondContact O-N 2.79Å; A262-T266 PolarHBondContact O-OG1 2.8Å; A263-T266 PolarHBondContact O-N 3.2Å; A264-T266 PolarHBondContact O-N 3.41Å; T266-T269 PolarHBondContact O-OG1 2.79Å |
| 267 | V | 50.5 | Low | 52 | Low | 109 Ų | 109 | 108.2 Ų | 108.2 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.8 | -33.8 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | A263 A264 A265 T269 | A263-V267 PolarHBondContact O-N 3.47Å; A264-V267 PolarHBondContact O-N 3.49Å; A265-V267 VanDerWaalsContact C-N 3.29Å; A265-V267 PolarHBondContact O-N 3.43Å; V267-T269 PolarHBondContact O-N 2.91Å |
| 268 | M | 51.5 | Low | 50.3 | Low | 153 Ų | 153 | 115.6 Ų | 115.6 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.1 | -29.8 | -177.1 | -78.1 | -72.3 | -172.8 | 0 | 0 | 114.2 | A265 | A265-M268 PolarHBondContact O-N 2.91Å |
| 269 | T | 48.8 | Very low | 49.1 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -6.3 | -172.5 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | T266 V267 | T266-T269 PolarHBondContact O-OG1 2.79Å; V267-T269 PolarHBondContact O-N 2.91Å |
| 270 | Q | 46.7 | Very low | 47.6 | Very low | 172 Ų | 172 | 117.6 Ų | 117.6 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -7.8 | -179.6 | -156.1 | 168.2 | 109.2 | 0 | 0 | 113.9 | ||
| 271 | S | 43.4 | Very low | 46 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -90.1 | -12.4 | -168 | -60.8 | 0 | 0 | 0 | 0 | 116.1 | ||
| 272 | T | 44.7 | Very low | 44.5 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -96 | -12.1 | -174.3 | 48.5 | 0 | 0 | 0 | 0 | 114.7 | K274 | T272-K274 VanDerWaalsContact C-N 3.34Å; T272-K274 PolarHBondContact O-N 3.28Å; T272-K274 VanDerWaalsContact O-N 3.15Å |
| 273 | A | 42.8 | Very low | 43.2 | Very low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 39.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 274 | K | 44.8 | Very low | 42.1 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | 30.7 | 180 | -136 | 166.7 | -170.8 | 169.1 | 0 | 119 | T272 | T272-K274 VanDerWaalsContact C-N 3.34Å; T272-K274 PolarHBondContact O-N 3.28Å; T272-K274 VanDerWaalsContact O-N 3.15Å |
| 275 | A | 41.3 | Very low | 41 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | -139.8 | 128 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 276 | M | 38.2 | Very low | 40.2 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 96% | 0.956 | 76% | 0.757 | S | S | * | * | trans | 100.9 | 147.7 | 164.7 | -54.7 | -151.4 | 175.9 | 0 | 0 | 118.8 | ||||
| 277 | K | 38.7 | Very low | 39.1 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -94.5 | 141.7 | -174.3 | -74.9 | 175.8 | 173.3 | 176.3 | 0 | 110.8 | ||||
| 278 | R | 34.7 | Very low | 38.1 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 20.2 | 133.4 | 137.7 | -134.4 | 179 | 180 | -176.3 | -1.9 | 117.7 | ||||
| 279 | P | 40.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | -124.4 | -176.3 | 99.5 | 38 | -35.2 | 0 | 0 | 0 | 115.1 | |||||
| 280 | L | 35.3 | Very low | 37.7 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 61% | 0.607 | 78% | 0.777 | S | S | * | * | trans | -60.9 | 164.2 | 167.1 | -121.5 | 64.5 | 0 | 0 | 0 | 111.2 | ||||
| 281 | E | 31.5 | Very low | 36.8 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -146.3 | 170.6 | 17.4 | -91.9 | -68.6 | 28.9 | 0 | 0 | 111 | ||||
| 282 | A | 29.7 | Very low | 36.2 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | 59.1 | 150.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 283 | T | 31.3 | Very low | 35.7 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -165.5 | 154.3 | -10.6 | 19.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 284 | V | 31.6 | Very low | 35.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 67.2 | 136.9 | 159.7 | 163.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 285 | D | 30.2 | Very low | 34.9 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | cis | -159.5 | 167.4 | -19.6 | -171.6 | -135.9 | 0 | 0 | 0 | 111.3 | ||||
| 286 | L | 35.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 12.1 | 119.7 | 166.8 | -97.8 | 58.2 | 0 | 0 | 0 | 121.2 | ||||
| 287 | A | 29.9 | Very low | 34.6 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | 177 | 140.6 | 101 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 288 | F | 30.4 | Very low | 34.4 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -136.7 | 166.2 | 167.9 | -126.6 | -122.2 | 0 | 0 | 0 | 106.6 | P290 | F288-P290 HydrophobicContact CD1-CB 4.26Å; F288-P290 HydrophobicContact CE1-CB 4.2Å | ||
| 289 | P | 43 | Very low | 34.4 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | -146.6 | -150.8 | 55.7 | 47 | -24.1 | 0 | 0 | 0 | 113.6 | |||||
| 290 | P | 47.7 | Very low | 33.8 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | -131.7 | -178.2 | -114.9 | 35.8 | -12.6 | 0 | 0 | 0 | 116.1 | F288 | F288-P290 HydrophobicContact CD1-CB 4.26Å; F288-P290 HydrophobicContact CE1-CB 4.2Å | |||
| 291 | G | 28.8 | Very low | 33.4 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -174.5 | 102.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 292 | A | 31.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | 44.9 | 122.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 293 | L | 32.3 | Very low | 33.8 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -122.9 | 150.3 | 159.4 | -73 | 175.7 | 0 | 0 | 0 | 110.5 | ||||
| 294 | H | 31.3 | Very low | 34 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -141.7 | 160.8 | 167.1 | -101.9 | 154.6 | 0 | 0 | 0 | 110.5 | ||||
| 295 | P | 41 | Very low | 33.9 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -111 | 164.1 | -137.2 | 8 | 15 | 0 | 0 | 0 | 116.2 | ||||
| 296 | L | 34.8 | Very low | 34.1 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 137.4 | 172.8 | -70.4 | 166 | 0 | 0 | 0 | 112.3 | ||
| 297 | P | 38.1 | Very low | 33.9 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 158.1 | 168 | -21.7 | 34.6 | 0 | 0 | 0 | 114.1 | ||
| 298 | K | 33.6 | Very low | 34 | Very low | 209 Ų | 209 | 147.8 Ų | 147.8 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 162.3 | -178 | -79.5 | 177.1 | 175.8 | 173 | 0 | 113.7 | ||
| 299 | R | 35.9 | Very low | 34.3 | Very low | 240 Ų | 240 | 144.9 Ų | 144.9 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 156.9 | 168.1 | -66.7 | 176.2 | 169.6 | 173.3 | -5.9 | 112.9 | ||
| 300 | Q | 26.8 | Very low | 33.8 | Very low | 201 Ų | 201 | 143.8 Ų | 143.8 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 167.1 | 142.2 | -79.8 | -176.2 | -81.2 | 0 | 0 | 110.4 | ||
| 301 | A | 27.8 | Very low | 33.6 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -127.1 | 156.5 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 302 | L | 36.3 | Very low | 33.8 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 74% | 0.738 | 84% | 0.839 | S | S | * | * | trans | 38.4 | 123 | 133.9 | -175.9 | 67.8 | 0 | 0 | 0 | 119.1 | K304 | L302-K304 HydrophobicContact CD1-CG 4.33Š| ||
| 303 | E | 32.1 | Very low | 34 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | -142.3 | 165 | 136 | -109.9 | -68.8 | 41 | 0 | 0 | 110.5 | ||||
| 304 | K | 35.3 | Very low | 34.4 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | -121.8 | 154.2 | -176.3 | -83.3 | 177.7 | 171.6 | 177.8 | 0 | 112.5 | L302 | L302-K304 HydrophobicContact CD1-CG 4.33Š| ||
| 305 | S | 30.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -157.5 | 153.8 | 154.2 | -82.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 306 | N | 33.5 | Very low | 35.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -103.3 | 138.7 | -164.9 | -79.1 | -14.3 | 0 | 0 | 0 | 114.7 | ||||
| 307 | G | 32 | Very low | 36.1 | Very low | 70 Ų | 70 | 144.5 Ų | 144.5 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | 73.1 | 109.6 | 120.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 308 | T | 31.1 | Very low | 36.7 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | trans | -163.8 | 157.3 | 131.6 | 8.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 309 | S | 36.5 | Very low | 37.1 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -112.2 | 124.3 | -169.8 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 310 | A | 34.4 | Very low | 37.5 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -169.8 | 109.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 311 | V | 41.9 | Very low | 38.6 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | 47 | 146.9 | 150 | -120.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 312 | F | 33.8 | Very low | 39.4 | Very low | 200 Ų | 200 | 140 Ų | 140 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | 70 | 109.8 | 162.5 | -83 | -77.3 | 0 | 0 | 0 | 121.3 | ||||
| 313 | N | 36 | Very low | 40 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | trans | -85.3 | 153.6 | 162 | -159.5 | 20.2 | 0 | 0 | 0 | 108.8 | S315 | N313-S315 PolarHBondContact OD1-N 2.87Š| ||
| 314 | P | 40.4 | Very low | 40.6 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | -146.4 | 98.2 | 78.1 | 34.9 | -13.9 | 0 | 0 | 0 | 115.4 | V316 | P314-V316 PolarHBondContact O-N 2.9Š| |||
| 315 | S | 44.8 | Very low | 41.3 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -88.2 | 86.9 | 168.1 | -78.4 | 0 | 0 | 0 | 0 | 111.8 | N313 | N313-S315 PolarHBondContact OD1-N 2.87Š| ||
| 316 | V | 50.1 | Low | 41.8 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -123.8 | -6.9 | 177 | -170.6 | 0 | 0 | 0 | 0 | 113.2 | P314 | P314-V316 PolarHBondContact O-N 2.9Š| ||
| 317 | L | 48.3 | Very low | 42 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -94.5 | -6.2 | -174.3 | -68.6 | 175.9 | 0 | 0 | 0 | 116 | ||
| 318 | H | 49.7 | Very low | 42.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -91.2 | -10.9 | -172 | -121.5 | 89 | 0 | 0 | 0 | 115.9 | ||
| 319 | Y | 42.2 | Very low | 42.3 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -88.2 | -31.6 | -179.4 | -165.7 | -108.2 | 0 | 0 | 0 | 113.4 | Q321 A322 | Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.15Å; Y319-A322 PolarHBondContact O-N 3.25Å |
| 320 | Q | 45 | Very low | 42.2 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -80.5 | -10.5 | -173.3 | -163.5 | 160.1 | 85.6 | 0 | 0 | 114.1 | A322 | Q320-A322 VanDerWaalsContact C-N 3.33Š|
| 321 | Q | 49.3 | Very low | 42.1 | Very low | 149 Ų | 149 | 146 Ų | 146 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -86.8 | -1 | 176.1 | -161.4 | 156.2 | -2.1 | 0 | 0 | 113.5 | Y319 | Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.15Å |
| 322 | A | 44.9 | Very low | 41.6 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | G | 310 helix | trans | -90.7 | 10.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y319 Q320 | Y319-A322 PolarHBondContact O-N 3.25Å; Q320-A322 VanDerWaalsContact C-N 3.33Å |
| 323 | L | 49.3 | Very low | 41.5 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -120.5 | 1.1 | -176.5 | -69.7 | 177.2 | 0 | 0 | 0 | 115.2 | ||
| 324 | T | 44.4 | Very low | 41 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -110.9 | 5.8 | 179.4 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 325 | S | 48.8 | Very low | 40.6 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -120.1 | 43.2 | -177.1 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 326 | A | 41.3 | Very low | 40.2 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -139 | 145.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 327 | Q | 36.7 | Very low | 39.4 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 55.2 | 77.2 | 166.3 | -88.8 | -85.1 | -79 | 0 | 0 | 117.8 | ||||
| 328 | L | 34.7 | Very low | 38.7 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | -145.7 | 60.2 | 125.9 | -132.4 | 172.2 | 0 | 0 | 0 | 111.1 | |||||
| 329 | Q | 35.3 | Very low | 38 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -76.2 | 153.1 | 172.9 | -161.9 | 157.9 | -17.4 | 0 | 0 | 110 | ||||
| 330 | Q | 35 | Very low | 37.8 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 143.8 | -162.4 | -59.6 | 178.5 | -1.1 | 0 | 0 | 113.9 | ||||
| 331 | H | 31.3 | Very low | 37.2 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | trans | -107.9 | 91.7 | 154.7 | -73.8 | -69.1 | 0 | 0 | 0 | 109.9 | ||||
| 332 | A | 32.3 | Very low | 36.5 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 165.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 333 | A | 30.7 | Very low | 35.9 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 146.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 334 | F | 27 | Very low | 35.3 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 140.7 | 156.7 | -167.3 | -95.4 | 0 | 0 | 0 | 109.1 | ||
| 335 | I | 32.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 59% | 0.59 | 78% | 0.783 | S | S | * | * | trans | -118.5 | 131.9 | -177.7 | -63.2 | 174.1 | 0 | 0 | 0 | 108.5 | T337 | I335-T337 HydrophobicContact CG2-CG2 3.85Š| ||
| 336 | P | 35.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 117.9 | 162.9 | 32.2 | -29 | 0 | 0 | 0 | 110.3 | ||||
| 337 | T | 34.2 | Very low | 34.5 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -132.3 | 127.3 | 171.7 | 37.2 | 0 | 0 | 0 | 0 | 111.1 | I335 | I335-T337 HydrophobicContact CG2-CG2 3.85Š| ||
| 338 | G | 33.5 | Very low | 34.4 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | 138.2 | 131.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 339 | S | 34.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -154 | 140.9 | -4.6 | -76.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 340 | V | 37.1 | Very low | 34.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 22.9 | 111.3 | 140.9 | -170.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 341 | L | 34 | Very low | 35.5 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | -155.3 | 145.5 | 128.7 | -73.2 | -173.2 | 0 | 0 | 0 | 106.5 | |||||
| 342 | C | 34 | Very low | 35.9 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 64% | 0.635 | 77% | 0.769 | S | S | * | * | cis | -178.4 | 170.3 | -35.9 | 53.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 343 | M | 32 | Very low | 36 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | 69.7 | 107.4 | 169 | -53 | -94.7 | 59.2 | 0 | 0 | 119.2 | ||||
| 344 | T | 36.1 | Very low | 36.4 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -91.8 | 154.4 | 137 | 52.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 345 | P | 50.9 | Low | 36.5 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -130.8 | -175 | 80.3 | 8.3 | 16.2 | 0 | 0 | 0 | 111.5 | |||||
| 346 | A | 34.4 | Very low | 36.7 | Very low | 77 Ų | 77 | 125.1 Ų | 125.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | 158.4 | 169.5 | -23.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 347 | T | 33.2 | Very low | 36.7 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 128.4 | 169 | 64.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 348 | S | 34 | Very low | 36.8 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 36.9 | 129.8 | 140.8 | -50.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 349 | I | 35.9 | Very low | 36.8 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | -169.5 | 134.5 | 95.9 | -89.6 | 153.2 | 0 | 0 | 0 | 111.6 | |||||
| 350 | V | 40 | Very low | 37 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -133.4 | 152.7 | 157.6 | -143.5 | 0 | 0 | 0 | 0 | 103 | ||||
| 351 | P | 53.5 | Low | 36.9 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -142 | -172.1 | 20 | 44.9 | -26.3 | 0 | 0 | 0 | 115.8 | ||||
| 352 | M | 38.1 | Very low | 37 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | -177.8 | 122.1 | 125.2 | -87.8 | -81.8 | -178.8 | 0 | 0 | 106.8 | |||||
| 353 | M | 36 | Very low | 37 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 64% | 0.64 | 78% | 0.782 | S | S | * | * | 58.1 | 128.9 | 95 | -52.5 | -144.5 | 76.7 | 0 | 0 | 113.1 | S355 | M353-S355 WeakPolarHBondContact CE-OG 3.35Š| |||
| 354 | H | 37.3 | Very low | 37.1 | Very low | 180 Ų | 180 | 121.8 Ų | 121.8 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | cis | -132.3 | 158.6 | 39.7 | -48.9 | 58.6 | 0 | 0 | 0 | 109.5 | ||||
| 355 | S | 30.4 | Very low | 37 | Very low | 94 Ų | 94 | 122 Ų | 122 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | cis | 65.3 | 130.8 | 38.5 | -49.7 | 0 | 0 | 0 | 0 | 113 | M353 | M353-S355 WeakPolarHBondContact CE-OG 3.35Š| ||
| 356 | A | 35.7 | Very low | 36.4 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | cis | -155.8 | -171.7 | -13.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 357 | T | 36.1 | Very low | 37.2 | Very low | 142 Ų | 142 | 124 Ų | 124 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | cis | -156 | 171.2 | 11.9 | -35.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 358 | S | 35.1 | Very low | 37.2 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -91 | 150.7 | -179.1 | -41.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 359 | A | 33.9 | Very low | 37.2 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -163.7 | 134.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 360 | T | 38.7 | Very low | 37.3 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 84.7 | 99 | 28.7 | -50.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 361 | V | 35.5 | Very low | 37.4 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -158.7 | 157.2 | 151 | -99 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 362 | S | 35.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -141.7 | 151.7 | -168.4 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 363 | A | 35.5 | Very low | 37.1 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 65.1 | 158.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 364 | A | 33.2 | Very low | 37.2 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | cis | -128 | -144.5 | -3.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 365 | T | 34.1 | Very low | 37 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | cis | -158.6 | 168.9 | 6.2 | -23.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 366 | T | 37.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 119 Ų | 119 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -104.6 | -173.3 | 162.4 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 367 | P | 51 | Low | 37.3 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -139.6 | 175.4 | 1.3 | 44.3 | -26.8 | 0 | 0 | 0 | 117.2 | ||||
| 368 | A | 33.8 | Very low | 37.3 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | 174.8 | 126.5 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 369 | T | 34.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | 85 | 98.9 | 51.7 | -56.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 370 | S | 37.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -177.7 | 139.5 | 133.6 | 36.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 371 | V | 41.8 | Very low | 38 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -146.1 | 136.9 | 168.5 | -170.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 372 | P | 52.7 | Low | 38.4 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -131.7 | 138.9 | 127.1 | 35.1 | -26.2 | 0 | 0 | 0 | 110.1 | |||||
| 373 | F | 33.3 | Very low | 38.7 | Very low | 191 Ų | 191 | 121 Ų | 121 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | cis | 83.8 | 96.2 | 41.5 | -150.3 | -80.1 | 0 | 0 | 0 | 114.6 | ||||
| 374 | A | 37.3 | Very low | 39.1 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 37 | 139.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 375 | A | 33.7 | Very low | 40 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -135 | 146.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 376 | T | 35.2 | Very low | 40.3 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -128.3 | 124.4 | -170 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 377 | A | 37.4 | Very low | 40.4 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -160.2 | 130.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 378 | T | 36.3 | Very low | 39.8 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | cis | 100.1 | 133.3 | 32 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 379 | A | 37.3 | Very low | 40.2 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | trans | 86.3 | 113.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 380 | N | 43 | Very low | 40.5 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 69.5 | 118.3 | 134.8 | -60 | -24.9 | 0 | 0 | 0 | 119.6 | ||||
| 381 | Q | 42 | Very low | 40.7 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | 69.1 | 140.6 | 78.8 | -65.7 | -149.6 | 89.2 | 0 | 0 | 112.7 | |||||
| 382 | I | 43.4 | Very low | 40.6 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -164.9 | 169.9 | 26.7 | -145.1 | 163.8 | 0 | 0 | 0 | 113.5 | ||||
| 383 | I | 42.2 | Very low | 39.7 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 73.7 | 128.2 | 158.7 | -80.7 | 170.6 | 0 | 0 | 0 | 121.1 | ||||
| 384 | L | 42.9 | Very low | 40.2 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -93.5 | 146 | 151.6 | -73.7 | 69.8 | 0 | 0 | 0 | 108.9 | ||||
| 385 | K | 52 | Low | 40.5 | Very low | 277 Ų | 277 | 141.2 Ų | 141.2 | 100% | 1.204 | 81% | 0.805 | S | S | * | * | trans | -152.7 | 0 | 144.1 | -151.3 | 164.1 | -172.2 | 173.1 | 0 | 112.2 |
Retrieved 385 of 385 residues in 1123.4 ms
(Link to these results)