| 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 | 42.8 | Very low | 56 | Low | 246 Ų | 246 | 114.4 Ų | 114.4 | 100% | 1.212 | 62% | 0.621 | S | S | * | * | 0 | 85.8 | 0 | -77 | 175.5 | 168.3 | 0 | 0 | 106.8 | |||||
| 2 | E | 50.5 | Low | 57.7 | Low | 193 Ų | 193 | 117.6 Ų | 117.6 | 90% | 0.902 | 63% | 0.628 | S | S | * | * | trans | -134 | 42 | 177.6 | -77.3 | 178 | 125.5 | 0 | 0 | 109.4 | ||||
| 3 | C | 50.8 | Low | 59.8 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | trans | -101.5 | -3.2 | -178.7 | -161.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | G | 52.8 | Low | 61.9 | Low | 63 Ų | 63 | 115.8 Ų | 115.8 | 65% | 0.649 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -93.7 | -21.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 5 | D | 56.2 | Low | 63.7 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 65% | 0.647 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -88.4 | -35.3 | -171.6 | -153.7 | 24.3 | 0 | 0 | 0 | 112 | A8 I9 | D5-A8 PolarHBondContact O-N 2.93Å; D5-I9 WeakPolarHBondContact O-CD1 2.96Å; D5-I9 VanDerWaalsContact O-CG1 3.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.34Å; D5-I9 PolarHBondContact O-N 3.29Å; D5-I9 VanDerWaalsContact O-N 3.14Å |
| 6 | E | 58.6 | Low | 65.5 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -48.6 | -179.3 | -132.8 | -80.7 | 141 | 0 | 0 | 111.7 | A8 I9 E10 | E6-A8 PolarHBondContact O-N 3.4Å; E6-I9 WeakPolarHBondContact O-CB 3.48Å; E6-I9 PolarHBondContact O-N 3.32Å; E6-I9 VanDerWaalsContact O-N 3.09Å; E6-E10 PolarHBondContact O-N 3.45Å; E6-E10 VanDerWaalsContact O-N 3.16Å |
| 7 | A | 57 | Low | 67 | Low | 49 Ų | 49 | 106.5 Ų | 106.5 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65 | -21.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 8 | A | 59.3 | Low | 68.3 | Low | 44 Ų | 44 | 105.2 Ų | 105.2 | 36% | 0.364 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -81.4 | -32.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D5 E6 H12 | D5-A8 PolarHBondContact O-N 2.93Å; E6-A8 PolarHBondContact O-N 3.4Å; A8-H12 PolarHBondContact O-ND1 2.95Å |
| 9 | I | 61.8 | Low | 69.6 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 40% | 0.4 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.8 | -41 | 176.5 | -68.1 | 162.7 | 0 | 0 | 0 | 110.6 | D5 E6 R11 H12 | D5-I9 WeakPolarHBondContact O-CD1 2.96Å; D5-I9 VanDerWaalsContact O-CG1 3.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.34Å; D5-I9 PolarHBondContact O-N 3.29Å; D5-I9 VanDerWaalsContact O-N 3.14Å; E6-I9 WeakPolarHBondContact O-CB 3.48Å; E6-I9 PolarHBondContact O-N 3.32Å; E6-I9 VanDerWaalsContact O-N 3.09Å; I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 2.9Å; I9-H12 PolarHBondContact O-N 3.08Å; I9-H12 VanDerWaalsContact O-N 3.12Å |
| 10 | E | 59.9 | Low | 70.8 | Confident | 52 Ų | 52 | 99.5 Ų | 99.5 | 24% | 0.243 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -59 | -38.4 | 179.8 | -71.9 | -179.1 | 146.6 | 0 | 0 | 113.1 | E6 H12 R13 | E6-E10 PolarHBondContact O-N 3.45Å; E6-E10 VanDerWaalsContact O-N 3.16Å; E10-H12 PolarHBondContact O-N 3.31Å; E10-R13 PolarHBondContact O-N 3.22Å; E10-R13 VanDerWaalsContact O-N 3.14Å |
| 11 | R | 66.5 | Low | 71.9 | Confident | 182 Ų | 182 | 96.7 Ų | 96.7 | 69% | 0.687 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.1 | 177.9 | -68.5 | -175.9 | -177.9 | 173.4 | 2.6 | 115.1 | I9 R118 | I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 2.9Å; R11-R118 PolarHBondContact O-NH2 2.92Å |
| 12 | H | 76.6 | Confident | 74.2 | Confident | 153 Ų | 153 | 95.5 Ų | 95.5 | 71% | 0.708 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -5.5 | 179.9 | -64.3 | 85.6 | 0 | 0 | 0 | 113.1 | A8 I9 E10 | A8-H12 PolarHBondContact O-ND1 2.95Å; I9-H12 PolarHBondContact O-N 3.08Å; I9-H12 VanDerWaalsContact O-N 3.12Å; E10-H12 PolarHBondContact O-N 3.31Å |
| 13 | R | 84.6 | Confident | 76.2 | Confident | 138 Ų | 138 | 92.6 Ų | 92.6 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | trans | -91.3 | 145.5 | -179.4 | -60.2 | 177.4 | 99.1 | 155.2 | 2.9 | 110.4 | E10 H15 R118 | E10-R13 PolarHBondContact O-N 3.22Å; E10-R13 VanDerWaalsContact O-N 3.14Å; R13-H15 WeakPolarHBondContact CB-NE2 3.13Å; R13-R118 PolarHBondContact O-NH2 3.18Å | ||
| 14 | V | 88.9 | Confident | 78.3 | Confident | 72 Ų | 72 | 87.6 Ų | 87.6 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | trans | -128.3 | 123.8 | 169.3 | -179.1 | 0 | 0 | 0 | 0 | 106.2 | R118 I120 | V14-R118 WeakPolarHBondContact CA-O 3.34Å; V14-R118 HydrophobicContact CG1-CB 4.45Å; V14-R118 HydrophobicContact CG2-CB 4.21Å; V14-I120 HydrophobicContact CG1-CB 3.89Å; V14-I120 HydrophobicContact CG1-CG2 3.83Å | ||
| 15 | H | 90 | Very high | 80.3 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 18% | 0.181 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.6 | -171.1 | -67.7 | -92 | 0 | 0 | 0 | 110.7 | R13 F116 R118 F119 I120 | R13-H15 WeakPolarHBondContact CB-NE2 3.13Å; H15-F116 AromaticContact CD2-CD1 3.44Å; H15-F116 VanDerWaalsContact CD2-CD1 3.44Å; H15-F116 WeakPolarHBondContact CD2-CD1 3.42Å; H15-F116 AromaticContact CD2-CG 3.76Å; H15-F116 AromaticContact CE1-CD1 3.1Å; H15-F116 WeakPolarHBondContact CE1-CD1 3.22Å; H15-F116 AromaticContact CE1-CE1 3.05Å; H15-F116 WeakPolarHBondContact CE1-CE1 3.46Å; H15-F116 AromaticContact CE1-CG 3.94Å; H15-F116 AromaticContact CE1-CZ 3.86Å; H15-F116 AromaticContact CG-CD1 3.77Å; H15-F116 AromaticContact CG-CG 3.85Å; H15-F116 AromaticContact ND1-CD1 3.57Å; H15-F116 AromaticContact ND1-CE1 3.61Å; H15-F116 AromaticContact ND1-CG 3.95Å; H15-F116 AromaticContact NE2-CD1 3.05Å; H15-F116 WeakPolarHBondContact NE2-CD1 3.25Å; H15-F116 AromaticContact NE2-CE1 3.5Å; H15-F116 AromaticContact NE2-CG 3.87Å; H15-R118 PolarHBondContact N-O 3.44Å; H15-F119 HydrophobicContact CB-CD1 3.61Å; H15-F119 HydrophobicContact CB-CE1 3.64Å; H15-F119 HydrophobicContact CB-CG 4.4Å; H15-F119 HydrophobicContact CB-CZ 4.46Å; H15-F119 CarbonylContact O-C 3.53Å; H15-F119 VanDerWaalsContact O-CA 3.25Å; H15-F119 WeakPolarHBondContact O-CA 3.4Å; H15-I120 PolarHBondContact O-N 2.79Å |
| 16 | L | 91.9 | Very high | 82.3 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.8 | 177.4 | 179.4 | 62.4 | 0 | 0 | 0 | 110.5 | S18 L21 M84 I120 | L16-S18 PolarHBondContact O-N 3.3Å; L16-L21 HydrophobicContact CD1-CD2 4.38Å; L16-L21 HydrophobicContact CD2-CD1 3.83Å; L16-L21 HydrophobicContact CD2-CD2 4.31Å; L16-L21 HydrophobicContact CD2-CG 4.37Å; L16-L21 HydrophobicContact CG-CD1 4.37Å; L16-M84 HydrophobicContact CD1-CE 4.34Å; L16-M84 HydrophobicContact CD1-SD 4.42Å; L16-I120 WeakPolarHBondContact CA-O 3.43Å; L16-I120 HydrophobicContact CB-CG2 4.26Å; L16-I120 HydrophobicContact CD1-CG2 3.96Å |
| 17 | R | 90.7 | Very high | 84.1 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 30% | 0.298 | 45% | 0.448 | S | S | . | . | trans | -72.8 | 100.9 | 172.5 | -67.8 | -159.4 | -176.1 | -89.2 | -2.1 | 110.8 | A19 T20 E87 E113 F119 I120 | R17-A19 PolarHBondContact O-N 3.09Å; R17-T20 HydrophobicContact CB-CG2 3.67Å; R17-T20 PolarHBondContact O-N 2.94Å; R17-T20 VanDerWaalsContact O-N 3.09Å; R17-T20 PolarHBondContact O-OG1 3.03Å; R17-E87 WeakPolarHBondContact CD-OE1 3.39Å; R17-E87 IonicContact CZ-OE1 3.27Å; R17-E87 IonicContact CZ-OE2 3.29Å; R17-E87 VanDerWaalsContact CZ-OE2 3.27Å; R17-E87 IonicContact NE-OE1 3.78Å; R17-E87 PolarHBondContact NE-OE1 3.01Å; R17-E87 IonicContact NE-OE2 2.82Å; R17-E87 PolarHBondContact NE-OE2 3.49Å; R17-E87 IonicContact NH2-OE2 2.76Å; R17-E87 PolarHBondContact NH2-OE2 2.84Å; R17-E113 IonicContact NH1-OE1 2.83Å; R17-F119 HydrophobicContact CG-CD1 4.07Å; R17-I120 PolarHBondContact N-O 2.92Å | ||
| 18 | S | 91.3 | Very high | 85.9 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 57% | 0.573 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -27.8 | -176.3 | -61.3 | 0 | 0 | 0 | 0 | 114.2 | L16 T20 L21 | L16-S18 PolarHBondContact O-N 3.3Å; S18-T20 VanDerWaalsContact C-N 3.34Å; S18-L21 PolarHBondContact O-N 3.22Å |
| 19 | A | 92.2 | Very high | 87.8 | Confident | 65 Ų | 65 | 86.3 Ų | 86.3 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R17 L21 R22 D23 | R17-A19 PolarHBondContact O-N 3.09Å; A19-L21 PolarHBondContact O-N 3.03Å; A19-L21 VanDerWaalsContact O-N 3.14Å; A19-R22 WeakPolarHBondContact O-CB 3.23Å; A19-R22 PolarHBondContact O-N 3.2Å; A19-D23 PolarHBondContact O-N 2.78Å |
| 20 | T | 93.8 | Very high | 89.5 | Confident | 32 Ų | 32 | 85.2 Ų | 85.2 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62 | -27.1 | -177.7 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | R17 S18 R22 D23 A24 G121 A122 | R17-T20 HydrophobicContact CB-CG2 3.67Å; R17-T20 PolarHBondContact O-N 2.94Å; R17-T20 VanDerWaalsContact O-N 3.09Å; R17-T20 PolarHBondContact O-OG1 3.03Å; S18-T20 VanDerWaalsContact C-N 3.34Å; T20-R22 VanDerWaalsContact C-N 3.28Å; T20-R22 PolarHBondContact O-N 2.76Å; T20-D23 PolarHBondContact O-N 3.45Å; T20-A24 WeakPolarHBondContact O-CB 3.45Å; T20-A24 PolarHBondContact O-N 3.49Å; T20-A24 VanDerWaalsContact O-N 3.07Å; T20-G121 WeakPolarHBondContact OG1-CA 3.43Å; T20-A122 WeakPolarHBondContact CB-O 3.44Å; T20-A122 PolarHBondContact OG1-N 3Å |
| 21 | L | 93.9 | Very high | 91.3 | Very high | 41 Ų | 41 | 86.3 Ų | 86.3 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.8 | -29.6 | 175.4 | -63.3 | 173.7 | 0 | 0 | 0 | 113.2 | L16 S18 A19 Y82 A122 | L16-L21 HydrophobicContact CD1-CD2 4.38Å; L16-L21 HydrophobicContact CD2-CD1 3.83Å; L16-L21 HydrophobicContact CD2-CD2 4.31Å; L16-L21 HydrophobicContact CD2-CG 4.37Å; L16-L21 HydrophobicContact CG-CD1 4.37Å; S18-L21 PolarHBondContact O-N 3.22Å; A19-L21 PolarHBondContact O-N 3.03Å; A19-L21 VanDerWaalsContact O-N 3.14Å; L21-Y82 HydrophobicContact CB-CE1 4.29Å; L21-Y82 HydrophobicContact CD2-CD1 4.05Å; L21-Y82 HydrophobicContact CD2-CD2 3.97Å; L21-Y82 HydrophobicContact CD2-CE1 3.96Å; L21-Y82 HydrophobicContact CD2-CE2 3.87Å; L21-Y82 HydrophobicContact CD2-CG 4.04Å; L21-Y82 VanDerWaalsContact O-CE1 3.31Å; L21-Y82 WeakPolarHBondContact O-CE1 3.38Å; L21-Y82 PolarHBondContact O-OH 3.39Å; L21-A122 HydrophobicContact CD2-CB 3.84Å |
| 22 | R | 92 | Very high | 92.8 | Very high | 220 Ų | 220 | 79.9 Ų | 79.9 | 83% | 0.83 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -81.9 | -35.6 | -179.6 | -60.2 | -177.4 | -177.6 | -83.8 | 0.1 | 111.2 | A19 T20 | A19-R22 WeakPolarHBondContact O-CB 3.23Å; A19-R22 PolarHBondContact O-N 3.2Å; T20-R22 VanDerWaalsContact C-N 3.28Å; T20-R22 PolarHBondContact O-N 2.76Å |
| 23 | D | 92 | Very high | 93.7 | Very high | 133 Ų | 133 | 75.5 Ų | 75.5 | 71% | 0.711 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -92.8 | -5.5 | -174 | -57.2 | -29.2 | 0 | 0 | 0 | 113.3 | A19 T20 A25 | A19-D23 PolarHBondContact O-N 2.78Å; T20-D23 PolarHBondContact O-N 3.45Å; D23-A25 PolarHBondContact O-N 2.89Å; D23-A25 VanDerWaalsContact O-N 3.12Å |
| 24 | A | 94.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 71.5 Ų | 71.5 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | trans | -60.5 | 113.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T20 Y82 A122 S125 | T20-A24 WeakPolarHBondContact O-CB 3.45Å; T20-A24 PolarHBondContact O-N 3.49Å; T20-A24 VanDerWaalsContact O-N 3.07Å; A24-Y82 HydrophobicContact CB-CD1 4.08Å; A24-Y82 HydrophobicContact CB-CE1 3.92Å; A24-A122 HydrophobicContact CB-CB 4.13Å; A24-S125 PolarHBondContact O-OG 2.97Å | ||
| 25 | A | 95.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 49% | 0.488 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 144.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D23 A124 S125 | D23-A25 PolarHBondContact O-N 2.89Å; D23-A25 VanDerWaalsContact O-N 3.12Å; A25-A124 CarbonylContact O-C 3.57Å; A25-A124 WeakPolarHBondContact O-CA 3.15Å; A25-A124 WeakPolarHBondContact O-CB 3.46Å; A25-S125 PolarHBondContact O-N 3.48Å |
| 26 | P | 96.6 | Very high | 95 | Very high | 119 Ų | 119 | 78.8 Ų | 78.8 | 77% | 0.773 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 137.4 | 173.7 | -24.2 | 34.7 | 0 | 0 | 0 | 112.4 | S125 | P26-S125 CarbonylContact C-O 3.58Å; P26-S125 VanDerWaalsContact CA-O 3.26Å; P26-S125 WeakPolarHBondContact CA-O 3.42Å |
| 27 | V | 97.1 | Very high | 95.2 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | trans | -132.2 | 147.1 | 178.2 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | L29 V83 A124 S125 | V27-L29 HydrophobicContact CG1-CD2 4.09Å; V27-L29 HydrophobicContact CG1-CG 4.15Å; V27-V83 HydrophobicContact CG1-CG2 4.2Å; V27-A124 HydrophobicContact CB-CB 3.78Å; V27-A124 HydrophobicContact CG1-CB 3.5Å; V27-S125 PolarHBondContact N-O 2.95Å | ||
| 28 | A | 95.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 82 Ų | 82 | 60% | 0.595 | 49% | 0.485 | S | S | * | . | trans | -84.9 | 127 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | L | 97.6 | Very high | 95.7 | Very high | 52 Ų | 52 | 85.8 Ų | 85.8 | 27% | 0.272 | 50% | 0.5 | S | S | . | . | trans | -114.8 | 145 | 178.9 | -67.1 | -178.5 | 0 | 0 | 0 | 111.7 | V27 V83 F126 F129 T130 | V27-L29 HydrophobicContact CG1-CD2 4.09Å; V27-L29 HydrophobicContact CG1-CG 4.15Å; L29-V83 HydrophobicContact CD1-CG2 4.4Å; L29-V83 HydrophobicContact CD2-CG2 4.33Å; L29-F126 HydrophobicContact CD1-CB 4.23Å; L29-F126 HydrophobicContact CD1-CD1 3.34Å; L29-F126 HydrophobicContact CD1-CD2 3.82Å; L29-F126 HydrophobicContact CD1-CE1 3.45Å; L29-F126 VanDerWaalsContact CD1-CE1 3.45Å; L29-F126 HydrophobicContact CD1-CE2 3.92Å; L29-F126 HydrophobicContact CD1-CG 3.53Å; L29-F126 HydrophobicContact CD1-CZ 3.74Å; L29-F126 HydrophobicContact CG-CD1 4.41Å; L29-F126 HydrophobicContact CG-CG 4.37Å; L29-F129 HydrophobicContact CB-CB 3.74Å; L29-T130 PolarHBondContact O-N 3.32Å | ||
| 30 | H | 97.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 85.3 Ų | 85.3 | 26% | 0.255 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.1 | 177.6 | -58.5 | -55.1 | 0 | 0 | 0 | 109.8 | F48 T130 W132 | H30-F48 HydrophobicContact CB-CE1 4.31Å; H30-F48 AromaticContact CD2-CD1 3.79Å; H30-F48 AromaticContact CD2-CE1 3.64Å; H30-F48 AromaticContact CG-CE1 3.77Å; H30-F48 AromaticContact NE2-CD1 3.89Å; H30-F48 AromaticContact NE2-CE1 3.87Å; H30-T130 WeakPolarHBondContact CA-O 3.48Å; H30-T130 WeakPolarHBondContact ND1-CB 3.49Å; H30-T130 PolarHBondContact ND1-OG1 3.49Å; H30-W132 AromaticContact CG-NE1 3.76Å; H30-W132 AromaticContact ND1-NE1 3.49Å; H30-W132 PolarHBondContact ND1-NE1 2.58Å |
| 31 | L | 97.8 | Very high | 96 | Very high | 75 Ų | 75 | 90.6 Ų | 90.6 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.8 | 172 | -176.5 | 61.2 | 0 | 0 | 0 | 109.2 | F129 T130 L131 W132 V144 | L31-F129 HydrophobicContact CB-CD2 4.27Å; L31-F129 HydrophobicContact CB-CE2 4.3Å; L31-F129 HydrophobicContact CD2-CE2 4.38Å; L31-T130 PolarHBondContact N-O 3.34Å; L31-L131 HydrophobicContact CB-CD1 4.29Å; L31-L131 HydrophobicContact CD2-CD1 3.77Å; L31-L131 HydrophobicContact CG-CD1 4.27Å; L31-W132 WeakPolarHBondContact O-CB 3.38Å; L31-W132 PolarHBondContact O-N 3.48Å; L31-V144 HydrophobicContact CD2-CG1 4.31Å; L31-V144 HydrophobicContact CD2-CG2 3.78Å |
| 32 | L | 97.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 92 Ų | 92 | 25% | 0.246 | 55% | 0.553 | C | S | . | * | trans | -89.3 | 146.9 | -176.9 | -59.1 | 179.1 | 0 | 0 | 0 | 111.6 | C34 F48 F63 L68 W132 | L32-C34 PolarHBondContact O-N 3.17Å; L32-F48 HydrophobicContact CD2-CE2 4.15Å; L32-F48 HydrophobicContact CD2-CZ 3.94Å; L32-F63 HydrophobicContact CD1-CE1 4.32Å; L32-F63 HydrophobicContact CD1-CZ 4.32Å; L32-L68 HydrophobicContact CD2-CD1 4.11Å; L32-W132 HydrophobicContact CD2-CG 4.32Å | ||
| 33 | P | 96.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 85.3 Ų | 85.3 | 40% | 0.396 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -82.7 | 36.2 | 175.9 | 36.8 | -36.3 | 0 | 0 | 0 | 111.5 | L68 W132 L134 | P33-L68 HydrophobicContact CG-CD2 3.78Å; P33-W132 WeakPolarHBondContact CD-O 3.3Å; P33-L134 HydrophobicContact CG-CB 4.47Å |
| 34 | C | 96.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 81.9 Ų | 81.9 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -156.6 | 155.4 | -178.9 | 61.4 | 0 | 0 | 0 | 0 | 111 | L32 | L32-C34 PolarHBondContact O-N 3.17Š|
| 35 | E | 97.2 | Very high | 96.6 | Very high | 190 Ų | 190 | 84.1 Ų | 84.1 | 89% | 0.888 | 55% | 0.546 | S | S | * | . | trans | -90.9 | 134.1 | 174 | -169.7 | 174.9 | 172.2 | 0 | 0 | 110.5 | ||||
| 36 | V | 96.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 90.7 Ų | 90.7 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | trans | -109.9 | 115.8 | 173 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | V38 F63 | V36-V38 PolarHBondContact O-N 3.29Å; V36-F63 HydrophobicContact CG2-CE1 4.45Å; V36-F63 HydrophobicContact CG2-CZ 4.3Å | ||
| 37 | A | 96.6 | Very high | 96.7 | Very high | 103 Ų | 103 | 91.6 Ų | 91.6 | 85% | 0.851 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -67.8 | -9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 38 | V | 96.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 89.5 Ų | 89.5 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | trans | -115.2 | 123.4 | -176.2 | 178.8 | 0 | 0 | 0 | 0 | 109 | V36 | V36-V38 PolarHBondContact O-N 3.29Š| ||
| 39 | D | 96.1 | Very high | 96.7 | Very high | 163 Ų | 163 | 89.5 Ų | 89.5 | 87% | 0.872 | 53% | 0.529 | S | S | * | . | trans | -90.6 | 119.9 | 168.3 | -64.3 | -42.1 | 0 | 0 | 0 | 109.6 | ||||
| 40 | G | 94.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 91.4 Ų | 91.4 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 167 | -177.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A42 | G40-A42 PolarHBondContact O-N 2.76Š|
| 41 | P | 96.3 | Very high | 96.6 | Very high | 143 Ų | 143 | 90.8 Ų | 90.8 | 93% | 0.929 | 55% | 0.548 | S | S | * | . | trans | -65.2 | 135.5 | 179.7 | 26.9 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 42 | A | 95.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 89.4 Ų | 89.4 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | trans | -130.2 | 140.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G40 V44 | G40-A42 PolarHBondContact O-N 2.76Å; A42-V44 HydrophobicContact CB-CG2 4.12Å; A42-V44 PolarHBondContact O-N 3.19Å | ||
| 43 | P | 96.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 96 Ų | 96 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | trans | -77.6 | 56 | -179.7 | 31.8 | -35.6 | 0 | 0 | 0 | 112.9 | G45 R46 F47 | P43-G45 VanDerWaalsContact C-N 3.34Å; P43-G45 PolarHBondContact O-N 3.13Å; P43-R46 HydrophobicContact CB-CB 4.32Å; P43-R46 PolarHBondContact O-N 3.34Å; P43-R46 VanDerWaalsContact O-N 3.09Å; P43-F47 HydrophobicContact CB-CD2 4.03Å; P43-F47 HydrophobicContact CB-CE2 4.15Å; P43-F47 HydrophobicContact CG-CD2 3.73Å; P43-F47 HydrophobicContact CG-CE2 3.77Å; P43-F47 PolarHBondContact O-N 3.24Å | ||
| 44 | V | 97 | Very high | 96.4 | Very high | 61 Ų | 61 | 100.4 Ų | 100.4 | 37% | 0.37 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.5 | -45 | -176.6 | -179 | 0 | 0 | 0 | 0 | 111.4 | A42 R46 F47 F48 T49 | A42-V44 HydrophobicContact CB-CG2 4.12Å; A42-V44 PolarHBondContact O-N 3.19Å; V44-R46 PolarHBondContact O-N 3.23Å; V44-R46 VanDerWaalsContact O-N 3.15Å; V44-F47 PolarHBondContact O-N 3.33Å; V44-F48 HydrophobicContact CG1-CB 3.82Å; V44-F48 HydrophobicContact CG1-CD1 4.18Å; V44-F48 HydrophobicContact CG1-CG 4.36Å; V44-F48 WeakPolarHBondContact O-CA 3.46Å; V44-F48 PolarHBondContact O-N 2.72Å; V44-T49 PolarHBondContact O-N 3.49Å; V44-T49 PolarHBondContact O-OG1 3.16Å |
| 45 | G | 96.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65 | -16.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P43 P50 | P43-G45 VanDerWaalsContact C-N 3.34Å; P43-G45 PolarHBondContact O-N 3.13Å; G45-P50 WeakPolarHBondContact O-CD 3.44Å; G45-P50 WeakPolarHBondContact O-CG 3.46Å |
| 46 | R | 96.8 | Very high | 95.6 | Very high | 197 Ų | 197 | 96.2 Ų | 96.2 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -92.3 | -37 | 177.4 | -175.5 | 176.5 | 178.7 | -178.8 | 0.6 | 112.8 | P43 V44 | P43-R46 HydrophobicContact CB-CB 4.32Å; P43-R46 PolarHBondContact O-N 3.34Å; P43-R46 VanDerWaalsContact O-N 3.09Å; V44-R46 PolarHBondContact O-N 3.23Å; V44-R46 VanDerWaalsContact O-N 3.15Å |
| 47 | F | 96.3 | Very high | 95 | Very high | 138 Ų | 138 | 99.7 Ų | 99.7 | 61% | 0.605 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -111.9 | -42 | -170.4 | -68.3 | -80.4 | 0 | 0 | 0 | 113.8 | P43 V44 A51 | P43-F47 HydrophobicContact CB-CD2 4.03Å; P43-F47 HydrophobicContact CB-CE2 4.15Å; P43-F47 HydrophobicContact CG-CD2 3.73Å; P43-F47 HydrophobicContact CG-CE2 3.77Å; P43-F47 PolarHBondContact O-N 3.24Å; V44-F47 PolarHBondContact O-N 3.33Å; F47-A51 WeakPolarHBondContact O-CB 3.5Å |
| 48 | F | 97.2 | Very high | 94.8 | Very high | 17 Ų | 17 | 95.5 Ų | 95.5 | 8% | 0.075 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -56.8 | -171.1 | -168 | -97.3 | 0 | 0 | 0 | 111 | H30 L32 V44 A51 I52 V61 F63 L68 W132 | H30-F48 HydrophobicContact CB-CE1 4.31Å; H30-F48 AromaticContact CD2-CD1 3.79Å; H30-F48 AromaticContact CD2-CE1 3.64Å; H30-F48 AromaticContact CG-CE1 3.77Å; H30-F48 AromaticContact NE2-CD1 3.89Å; H30-F48 AromaticContact NE2-CE1 3.87Å; L32-F48 HydrophobicContact CD2-CE2 4.15Å; L32-F48 HydrophobicContact CD2-CZ 3.94Å; V44-F48 HydrophobicContact CG1-CB 3.82Å; V44-F48 HydrophobicContact CG1-CD1 4.18Å; V44-F48 HydrophobicContact CG1-CG 4.36Å; V44-F48 WeakPolarHBondContact O-CA 3.46Å; V44-F48 PolarHBondContact O-N 2.72Å; F48-A51 WeakPolarHBondContact O-CB 3.36Å; F48-A51 PolarHBondContact O-N 3.34Å; F48-I52 HydrophobicContact CD1-CD1 4.16Å; F48-I52 HydrophobicContact CD1-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.11Å; F48-I52 HydrophobicContact CE1-CG1 4.4Å; F48-I52 PolarHBondContact O-N 2.87Å; F48-V61 HydrophobicContact CD2-CG2 4.05Å; F48-V61 HydrophobicContact CE1-CG1 4.36Å; F48-V61 HydrophobicContact CE2-CB 4.45Å; F48-V61 HydrophobicContact CE2-CG1 3.61Å; F48-V61 HydrophobicContact CE2-CG2 3.95Å; F48-V61 HydrophobicContact CG-CG2 4.49Å; F48-V61 HydrophobicContact CZ-CB 4.48Å; F48-V61 HydrophobicContact CZ-CG1 3.53Å; F48-V61 HydrophobicContact CZ-CG2 4.29Å; F48-F63 HydrophobicContact CD2-CD2 4.24Å; F48-F63 HydrophobicContact CE2-CB 4.36Å; F48-F63 HydrophobicContact CE2-CD2 4.41Å; F48-L68 HydrophobicContact CE2-CD1 4.49Å; F48-W132 AromaticContact CE1-CE2 3.95Å; F48-W132 AromaticContact CE1-CZ2 3.97Å; F48-W132 HydrophobicContact CE1-CZ2 3.97Å; F48-W132 AromaticContact CE1-NE1 3.73Å; F48-W132 HydrophobicContact CZ-CD2 4.35Å; F48-W132 AromaticContact CZ-CE2 3.72Å; F48-W132 AromaticContact CZ-CZ2 3.99Å; F48-W132 HydrophobicContact CZ-CZ2 3.99Å; F48-W132 AromaticContact CZ-NE1 3.6Å |
| 49 | T | 96.2 | Very high | 94.8 | Very high | 72 Ų | 72 | 91.4 Ų | 91.4 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -56.3 | -44.7 | -176 | -47.5 | 0 | 0 | 0 | 0 | 113.4 | V44 A51 I52 | V44-T49 PolarHBondContact O-N 3.49Å; V44-T49 PolarHBondContact O-OG1 3.16Å; T49-A51 PolarHBondContact O-N 3.14Å; T49-I52 PolarHBondContact O-N 3.48Å |
| 50 | P | 96.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 86.6 Ų | 86.6 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -71 | -18.5 | 178.6 | -18.5 | 33.9 | 0 | 0 | 0 | 114 | G45 | G45-P50 WeakPolarHBondContact O-CD 3.44Å; G45-P50 WeakPolarHBondContact O-CG 3.46Å |
| 51 | A | 96.4 | Very high | 95 | Very high | 41 Ų | 41 | 84.2 Ų | 84.2 | 34% | 0.339 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -87.6 | -8.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F47 F48 T49 R53 V61 | F47-A51 WeakPolarHBondContact O-CB 3.5Å; F48-A51 WeakPolarHBondContact O-CB 3.36Å; F48-A51 PolarHBondContact O-N 3.34Å; T49-A51 PolarHBondContact O-N 3.14Å; A51-R53 PolarHBondContact O-N 3.41Å; A51-V61 HydrophobicContact CB-CG2 3.92Å |
| 52 | I | 97.3 | Very high | 95 | Very high | 46 Ų | 46 | 80.9 Ų | 80.9 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | trans | -68.9 | 129.4 | 176.7 | -61.6 | 169.9 | 0 | 0 | 0 | 109.2 | F48 T49 L59 E60 V61 W132 | F48-I52 HydrophobicContact CD1-CD1 4.16Å; F48-I52 HydrophobicContact CD1-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.11Å; F48-I52 HydrophobicContact CE1-CG1 4.4Å; F48-I52 PolarHBondContact O-N 2.87Å; T49-I52 PolarHBondContact O-N 3.48Å; I52-L59 HydrophobicContact CG2-CB 4.42Å; I52-L59 HydrophobicContact CG2-CD2 3.98Å; I52-E60 WeakPolarHBondContact CA-O 3.33Å; I52-V61 HydrophobicContact CG1-CB 4.14Å; I52-V61 HydrophobicContact CG1-CG2 4Å; I52-W132 HydrophobicContact CD1-CZ2 4.09Å; I52-W132 HydrophobicContact CG1-CH2 4.22Å; I52-W132 HydrophobicContact CG1-CZ2 4.12Å; I52-W132 HydrophobicContact CG2-CH2 4.17Å | ||
| 53 | R | 96.4 | Very high | 95.1 | Very high | 187 Ų | 187 | 80.4 Ų | 80.4 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.5 | 179.2 | -68.6 | 179.9 | 152.5 | -87.3 | -4.8 | 110 | A51 L59 E60 | A51-R53 PolarHBondContact O-N 3.41Å; R53-L59 CarbonylContact O-C 3.3Å; R53-L59 WeakPolarHBondContact O-CA 3Å; R53-E60 PolarHBondContact N-O 3.4Å; R53-E60 PolarHBondContact O-N 3.32Å |
| 54 | Q | 95.6 | Very high | 95.1 | Very high | 153 Ų | 153 | 86.9 Ų | 86.9 | 72% | 0.715 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.6 | 167.2 | -163.6 | 72.9 | 41.5 | 0 | 0 | 108.6 | L59 | Q54-L59 VanDerWaalsContact OE1-CD2 3.23Å |
| 55 | G | 88.9 | Confident | 95.1 | Very high | 20 Ų | 20 | 87.5 Ų | 87.5 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | trans | -101.7 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E57 G58 | G55-E57 VanDerWaalsContact C-N 3.31Å; G55-E57 PolarHBondContact O-N 3.14Å; G55-G58 CarbonylContact C-O 3.57Å; G55-G58 WeakPolarHBondContact CA-O 3.49Å; G55-G58 PolarHBondContact N-O 3.46Å | ||
| 56 | P | 87.3 | Confident | 95.1 | Very high | 136 Ų | 136 | 91.1 Ų | 91.1 | 88% | 0.883 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -66.8 | -31.2 | 179 | 26.6 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 57 | E | 84.7 | Confident | 95.1 | Very high | 148 Ų | 148 | 83.4 Ų | 83.4 | 69% | 0.692 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -99 | -7 | -177.6 | -62.1 | -166.1 | 171.8 | 0 | 0 | 113.7 | G55 I137 | G55-E57 VanDerWaalsContact C-N 3.31Å; G55-E57 PolarHBondContact O-N 3.14Å; E57-I137 WeakPolarHBondContact O-CD1 3.32Å |
| 58 | G | 91.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 77.2 Ų | 77.2 | 16% | 0.155 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 151.5 | -156.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | G55 | G55-G58 CarbonylContact C-O 3.57Å; G55-G58 WeakPolarHBondContact CA-O 3.49Å; G55-G58 PolarHBondContact N-O 3.46Å |
| 59 | L | 96.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 79.2 Ų | 79.2 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 146.2 | 175.8 | -61 | 170.2 | 0 | 0 | 0 | 110.5 | I52 R53 Q54 R69 G70 T130 W132 | I52-L59 HydrophobicContact CG2-CB 4.42Å; I52-L59 HydrophobicContact CG2-CD2 3.98Å; R53-L59 CarbonylContact O-C 3.3Å; R53-L59 WeakPolarHBondContact O-CA 3Å; Q54-L59 VanDerWaalsContact OE1-CD2 3.23Å; L59-R69 CarbonylContact O-C 3.56Å; L59-R69 WeakPolarHBondContact O-CA 3.36Å; L59-G70 WeakPolarHBondContact CB-O 3.43Å; L59-G70 PolarHBondContact N-O 3.21Å; L59-G70 PolarHBondContact O-N 3.4Å; L59-T130 HydrophobicContact CD1-CG2 3.68Å; L59-W132 HydrophobicContact CB-CH2 3.67Å; L59-W132 HydrophobicContact CB-CZ3 3.92Å |
| 60 | E | 97.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 75.8 Ų | 75.8 | 29% | 0.29 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.5 | 177.7 | -170.8 | 174.2 | 152.7 | 0 | 0 | 110.5 | I52 R53 L68 R69 | I52-E60 WeakPolarHBondContact CA-O 3.33Å; R53-E60 PolarHBondContact N-O 3.4Å; R53-E60 PolarHBondContact O-N 3.32Å; E60-L68 WeakPolarHBondContact CA-O 3.24Å; E60-R69 IonicContact OE2-CZ 3.96Å; E60-R69 IonicContact OE2-NH1 2.58Å; E60-R69 PolarHBondContact OE2-NH1 2.73Å; E60-R69 IonicContact OE2-NH2 3.44Å; E60-R69 PolarHBondContact OE2-NH2 3.06Å |
| 61 | V | 97.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 156.5 | 176.9 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | F48 A51 I52 L68 W132 | F48-V61 HydrophobicContact CD2-CG2 4.05Å; F48-V61 HydrophobicContact CE1-CG1 4.36Å; F48-V61 HydrophobicContact CE2-CB 4.45Å; F48-V61 HydrophobicContact CE2-CG1 3.61Å; F48-V61 HydrophobicContact CE2-CG2 3.95Å; F48-V61 HydrophobicContact CG-CG2 4.49Å; F48-V61 HydrophobicContact CZ-CB 4.48Å; F48-V61 HydrophobicContact CZ-CG1 3.53Å; F48-V61 HydrophobicContact CZ-CG2 4.29Å; A51-V61 HydrophobicContact CB-CG2 3.92Å; I52-V61 HydrophobicContact CG1-CB 4.14Å; I52-V61 HydrophobicContact CG1-CG2 4Å; V61-L68 HydrophobicContact CG1-CB 3.96Å; V61-L68 HydrophobicContact CG1-CD1 4.25Å; V61-L68 PolarHBondContact N-O 3.11Å; V61-L68 WeakPolarHBondContact O-CA 3.33Å; V61-L68 WeakPolarHBondContact O-CB 3.38Å; V61-L68 PolarHBondContact O-N 2.91Å; V61-W132 HydrophobicContact CB-CH2 3.84Å; V61-W132 HydrophobicContact CB-CZ2 4.42Å; V61-W132 HydrophobicContact CB-CZ3 4.06Å; V61-W132 HydrophobicContact CG1-CD2 4.04Å; V61-W132 HydrophobicContact CG1-CE3 3.7Å; V61-W132 HydrophobicContact CG1-CH2 3.42Å; V61-W132 VanDerWaalsContact CG1-CH2 3.42Å; V61-W132 HydrophobicContact CG1-CZ2 3.76Å; V61-W132 HydrophobicContact CG1-CZ3 3.4Å |
| 62 | S | 97.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.6 | 173.7 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | R66 | S62-R66 CarbonylContact C-O 3.5Å; S62-R66 VanDerWaalsContact CA-O 3.27Å; S62-R66 WeakPolarHBondContact CA-O 3.26Å |
| 63 | F | 97.6 | Very high | 95 | Very high | 59 Ų | 59 | 76 Ų | 76 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.3 | 172.1 | -173.6 | -110.5 | 0 | 0 | 0 | 109.8 | L32 V36 F48 G65 R66 L68 | L32-F63 HydrophobicContact CD1-CE1 4.32Å; L32-F63 HydrophobicContact CD1-CZ 4.32Å; V36-F63 HydrophobicContact CG2-CE1 4.45Å; V36-F63 HydrophobicContact CG2-CZ 4.3Å; F48-F63 HydrophobicContact CD2-CD2 4.24Å; F48-F63 HydrophobicContact CE2-CB 4.36Å; F48-F63 HydrophobicContact CE2-CD2 4.41Å; F63-G65 PolarHBondContact O-N 3.02Å; F63-G65 VanDerWaalsContact O-N 3.17Å; F63-R66 PolarHBondContact N-O 3.29Å; F63-R66 PolarHBondContact O-N 3.41Å; F63-L68 HydrophobicContact CB-CD1 3.68Å; F63-L68 HydrophobicContact CB-CG 4.29Å |
| 64 | R | 96.2 | Very high | 95 | Very high | 217 Ų | 217 | 70.4 Ų | 70.4 | 82% | 0.819 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 34.7 | -176.2 | -60.2 | -70.6 | -170.1 | 142.6 | 1.5 | 113.4 | R66 | R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.46Å |
| 65 | G | 96.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 77% | 0.773 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 4.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | F63 | F63-G65 PolarHBondContact O-N 3.02Å; F63-G65 VanDerWaalsContact O-N 3.17Å |
| 66 | R | 97.2 | Very high | 95.4 | Very high | 134 Ų | 134 | 64.9 Ų | 64.9 | 51% | 0.506 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 135.5 | 177.5 | -55.2 | -179.3 | 72.4 | -172.8 | 6.9 | 110.2 | S62 F63 R64 L134 | S62-R66 CarbonylContact C-O 3.5Å; S62-R66 VanDerWaalsContact CA-O 3.27Å; S62-R66 WeakPolarHBondContact CA-O 3.26Å; F63-R66 PolarHBondContact N-O 3.29Å; F63-R66 PolarHBondContact O-N 3.41Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.46Å; R66-L134 HydrophobicContact CB-CD1 4.27Å |
| 67 | C | 96.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.3 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 110 | E135 | C67-E135 PolarHBondContact O-N 3Å |
| 68 | L | 97.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.7 | 171.2 | -54.7 | -176.1 | 0 | 0 | 0 | 108.7 | L32 P33 F48 E60 V61 F63 W132 G133 L134 | L32-L68 HydrophobicContact CD2-CD1 4.11Å; P33-L68 HydrophobicContact CG-CD2 3.78Å; F48-L68 HydrophobicContact CE2-CD1 4.49Å; E60-L68 WeakPolarHBondContact CA-O 3.24Å; V61-L68 HydrophobicContact CG1-CB 3.96Å; V61-L68 HydrophobicContact CG1-CD1 4.25Å; V61-L68 PolarHBondContact N-O 3.11Å; V61-L68 WeakPolarHBondContact O-CA 3.33Å; V61-L68 WeakPolarHBondContact O-CB 3.38Å; V61-L68 PolarHBondContact O-N 2.91Å; F63-L68 HydrophobicContact CB-CD1 3.68Å; F63-L68 HydrophobicContact CB-CG 4.29Å; L68-W132 HydrophobicContact CB-CB 4.46Å; L68-W132 HydrophobicContact CB-CD2 4.47Å; L68-W132 HydrophobicContact CB-CE3 3.86Å; L68-W132 HydrophobicContact CD1-CB 4.29Å; L68-G133 CarbonylContact C-O 3.58Å; L68-G133 VanDerWaalsContact CA-O 3.24Å; L68-G133 WeakPolarHBondContact CA-O 3.43Å; L68-L134 HydrophobicContact CD2-CD1 4.38Å |
| 69 | R | 97.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 23% | 0.226 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.7 | 168.3 | -67.5 | -164 | -175.2 | -79.2 | -9.7 | 109.2 | L59 E60 G133 E135 I137 | L59-R69 CarbonylContact O-C 3.56Å; L59-R69 WeakPolarHBondContact O-CA 3.36Å; E60-R69 IonicContact OE2-CZ 3.96Å; E60-R69 IonicContact OE2-NH1 2.58Å; E60-R69 PolarHBondContact OE2-NH1 2.73Å; E60-R69 IonicContact OE2-NH2 3.44Å; E60-R69 PolarHBondContact OE2-NH2 3.06Å; R69-G133 PolarHBondContact N-O 3.49Å; R69-G133 PolarHBondContact O-N 2.95Å; R69-E135 WeakPolarHBondContact CD-O 3.26Å; R69-E135 WeakPolarHBondContact CG-O 3.35Å; R69-E135 PolarHBondContact NE-O 3.38Å; R69-I137 HydrophobicContact CB-CG1 3.71Å |
| 70 | G | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 169.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | L59 L131 | L59-G70 WeakPolarHBondContact CB-O 3.43Å; L59-G70 PolarHBondContact N-O 3.21Å; L59-G70 PolarHBondContact O-N 3.4Å; G70-L131 CarbonylContact C-O 3.56Å; G70-L131 WeakPolarHBondContact CA-O 3.4Å |
| 71 | E | 95.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 65.7 Ų | 65.7 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.8 | 176.9 | 75.3 | -164.4 | 125.8 | 0 | 0 | 109.3 | V73 T130 L131 I137 R145 | E71-V73 HydrophobicContact CG-CG2 3.93Å; E71-T130 WeakPolarHBondContact O-CA 3.5Å; E71-T130 WeakPolarHBondContact O-CG2 3.42Å; E71-L131 PolarHBondContact N-O 3.34Å; E71-L131 PolarHBondContact O-N 2.83Å; E71-I137 HydrophobicContact CB-CG2 4.13Å; E71-I137 HydrophobicContact CG-CG2 4.13Å; E71-I137 WeakPolarHBondContact OE1-CG2 3.27Å; E71-R145 IonicContact OE1-CZ 3.74Å; E71-R145 IonicContact OE1-NH2 2.76Å; E71-R145 PolarHBondContact OE1-NH2 3.25Å; E71-R145 IonicContact OE2-CZ 3.34Å; E71-R145 IonicContact OE2-NH1 2.87Å; E71-R145 IonicContact OE2-NH2 3.59Å; E71-R145 PolarHBondContact OE2-NH2 2.89Å |
| 72 | E | 95.8 | Very high | 96.4 | Very high | 123 Ų | 123 | 69 Ų | 69 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.8 | 173.4 | -165.7 | 179 | 162 | 0 | 0 | 110 | H128 | E72-H128 HydrophobicContact CG-CB 4.1Å; E72-H128 IonicContact OE1-CD2 2.87Å; E72-H128 PolarHBondContact OE1-CD2 3.07Å; E72-H128 IonicContact OE1-CE1 3.36Å; E72-H128 IonicContact OE1-CG 3.97Å; E72-H128 IonicContact OE1-ND1 3.68Å; E72-H128 IonicContact OE1-NE2 3.07Å; E72-H128 PolarHBondContact OE1-NE2 2.82Å |
| 73 | V | 96.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 9% | 0.085 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.9 | 179.5 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | E71 H128 F129 L131 L148 | E71-V73 HydrophobicContact CG-CG2 3.93Å; V73-H128 CarbonylContact O-C 3.56Å; V73-H128 VanDerWaalsContact O-CA 3.26Å; V73-H128 WeakPolarHBondContact O-CA 3.48Å; V73-F129 HydrophobicContact CB-CD1 4.47Å; V73-F129 HydrophobicContact CB-CE1 4.02Å; V73-F129 HydrophobicContact CB-CE2 4.34Å; V73-F129 HydrophobicContact CB-CZ 3.95Å; V73-F129 HydrophobicContact CG1-CE1 3.93Å; V73-F129 HydrophobicContact CG1-CZ 3.94Å; V73-F129 PolarHBondContact N-O 2.83Å; V73-F129 PolarHBondContact O-N 2.9Å; V73-L131 HydrophobicContact CG2-CB 3.7Å; V73-L131 HydrophobicContact CG2-CD2 4.16Å; V73-L148 HydrophobicContact CG1-CD1 3.51Å |
| 74 | A | 96.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 146.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 75 | V | 96.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -64 | 141.6 | 166.5 | 174.6 | 0 | 0 | 0 | 0 | 108.5 | L79 F126 S127 | V75-L79 HydrophobicContact CG1-CB 3.8Å; V75-F126 HydrophobicContact CG2-CD2 3.83Å; V75-F126 HydrophobicContact CG2-CE2 3.71Å; V75-S127 WeakPolarHBondContact CB-O 3.43Å; V75-S127 WeakPolarHBondContact CG2-O 3.32Å; V75-S127 PolarHBondContact N-O 3.01Å |
| 76 | P | 96.4 | Very high | 96 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 151.5 | -176.4 | -17.3 | 29.2 | 0 | 0 | 0 | 111.8 | G78 L79 L148 | P76-G78 PolarHBondContact O-N 3.38Å; P76-L79 HydrophobicContact CB-CD1 3.95Å; P76-L79 HydrophobicContact CG-CD1 4.04Å; P76-L79 WeakPolarHBondContact O-CB 3.44Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-L79 VanDerWaalsContact O-N 3.16Å; P76-L148 HydrophobicContact CG-CB 4.12Å; P76-L148 HydrophobicContact CG-CD2 4.11Å; P76-L148 WeakPolarHBondContact CG-O 3.44Å |
| 77 | P | 93.6 | Very high | 95.4 | Very high | 133 Ų | 133 | 60.2 Ų | 60.2 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 139.9 | -173.8 | 25.7 | -35 | 0 | 0 | 0 | 111.7 | L79 | P77-L79 VanDerWaalsContact C-N 3.26Å; P77-L79 PolarHBondContact O-N 3.3Å |
| 78 | G | 94.5 | Very high | 94.2 | Very high | 88 Ų | 88 | 67 Ų | 67 | 91% | 0.907 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 5.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P76 | P76-G78 PolarHBondContact O-N 3.38Š|
| 79 | L | 96 | Very high | 92.4 | Very high | 90 Ų | 90 | 74.5 Ų | 74.5 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | trans | -116.7 | 159.5 | 173.3 | -63.2 | 165.8 | 0 | 0 | 0 | 110.8 | V75 P76 P77 P151 | V75-L79 HydrophobicContact CG1-CB 3.8Å; P76-L79 HydrophobicContact CB-CD1 3.95Å; P76-L79 HydrophobicContact CG-CD1 4.04Å; P76-L79 WeakPolarHBondContact O-CB 3.44Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-L79 VanDerWaalsContact O-N 3.16Å; P77-L79 VanDerWaalsContact C-N 3.26Å; P77-L79 PolarHBondContact O-N 3.3Å; L79-P151 HydrophobicContact CD1-CB 3.63Å; L79-P151 HydrophobicContact CD1-CG 3.78Å | ||
| 80 | V | 95.4 | Very high | 89.9 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | trans | -133.2 | 139.7 | 173.7 | 58 | 0 | 0 | 0 | 0 | 108.8 | Y82 | V80-Y82 HydrophobicContact CB-CE2 4.36Å; V80-Y82 HydrophobicContact CG1-CD2 4.07Å; V80-Y82 HydrophobicContact CG1-CE2 3.41Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.41Å; V80-Y82 HydrophobicContact CG2-CE2 4.05Å | ||
| 81 | G | 97.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 85.9 Ų | 85.9 | 8% | 0.082 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S125 F126 | G81-S125 CarbonylContact O-C 3.51Å; G81-S125 VanDerWaalsContact O-CA 3.31Å; G81-S125 WeakPolarHBondContact O-CA 3.47Å; G81-F126 VanDerWaalsContact C-CD1 3.49Å; G81-F126 VanDerWaalsContact C-CE1 3.44Å; G81-F126 VanDerWaalsContact CA-CE1 3.43Å; G81-F126 WeakPolarHBondContact CA-O 3.22Å; G81-F126 PolarHBondContact N-O 3.32Å; G81-F126 PolarHBondContact O-N 3.44Å |
| 82 | Y | 97.9 | Very high | 84.8 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 29% | 0.29 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.7 | 172.8 | -73.5 | -75.1 | 0 | 0 | 0 | 110.8 | L21 A24 V80 A122 A124 | L21-Y82 HydrophobicContact CB-CE1 4.29Å; L21-Y82 HydrophobicContact CD2-CD1 4.05Å; L21-Y82 HydrophobicContact CD2-CD2 3.97Å; L21-Y82 HydrophobicContact CD2-CE1 3.96Å; L21-Y82 HydrophobicContact CD2-CE2 3.87Å; L21-Y82 HydrophobicContact CD2-CG 4.04Å; L21-Y82 VanDerWaalsContact O-CE1 3.31Å; L21-Y82 WeakPolarHBondContact O-CE1 3.38Å; L21-Y82 PolarHBondContact O-OH 3.39Å; A24-Y82 HydrophobicContact CB-CD1 4.08Å; A24-Y82 HydrophobicContact CB-CE1 3.92Å; V80-Y82 HydrophobicContact CB-CE2 4.36Å; V80-Y82 HydrophobicContact CG1-CD2 4.07Å; V80-Y82 HydrophobicContact CG1-CE2 3.41Å; V80-Y82 VanDerWaalsContact CG1-CE2 3.41Å; V80-Y82 HydrophobicContact CG2-CE2 4.05Å; Y82-A122 HydrophobicContact CD1-CB 3.77Å; Y82-A122 HydrophobicContact CE1-CB 4.38Å; Y82-A122 HydrophobicContact CG-CB 4.37Å; Y82-A124 WeakPolarHBondContact CA-O 3.39Å |
| 83 | V | 97.3 | Very high | 81.9 | Confident | 47 Ų | 47 | 91.3 Ų | 91.3 | 29% | 0.285 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.9 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | V27 L29 A122 T123 A124 F126 | V27-V83 HydrophobicContact CG1-CG2 4.2Å; L29-V83 HydrophobicContact CD1-CG2 4.4Å; L29-V83 HydrophobicContact CD2-CG2 4.33Å; V83-A122 CarbonylContact O-C 3.59Å; V83-A122 WeakPolarHBondContact O-CA 3.26Å; V83-T123 PolarHBondContact O-N 2.89Å; V83-T123 PolarHBondContact O-OG1 2.76Å; V83-A124 HydrophobicContact CB-CB 4.21Å; V83-A124 HydrophobicContact CG2-CB 4.26Å; V83-A124 PolarHBondContact N-O 3.01Å; V83-F126 HydrophobicContact CG2-CD1 4.47Å |
| 84 | M | 96.3 | Very high | 79.3 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 46% | 0.458 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.4 | -175.8 | -63.5 | -173.4 | -179.1 | 0 | 0 | 110.9 | L16 I120 G121 | L16-M84 HydrophobicContact CD1-CE 4.34Å; L16-M84 HydrophobicContact CD1-SD 4.42Å; M84-I120 HydrophobicContact CB-CD1 3.65Å; M84-I120 HydrophobicContact CB-CG1 3.92Å; M84-I120 HydrophobicContact CG-CD1 4.49Å; M84-I120 HydrophobicContact SD-CD1 4.18Å; M84-G121 CarbonylContact C-O 3.54Å; M84-G121 VanDerWaalsContact CA-O 3.3Å; M84-G121 WeakPolarHBondContact CA-O 3.33Å |
| 85 | V | 94.7 | Very high | 76.5 | Confident | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.4 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | I120 G121 T123 | V85-I120 WeakPolarHBondContact O-CG1 3.31Å; V85-G121 PolarHBondContact N-O 3.35Å; V85-G121 PolarHBondContact O-N 3.48Å; V85-T123 HydrophobicContact CB-CG2 3.82Å; V85-T123 HydrophobicContact CG2-CG2 3.53Å |
| 86 | T | 91.6 | Very high | 73.7 | Confident | 79 Ų | 79 | 103 Ų | 103 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.5 | 175.7 | -51.9 | 0 | 0 | 0 | 0 | 109.4 | E88 | T86-E88 PolarHBondContact O-N 3.46Å |
| 87 | E | 84.1 | Confident | 71 | Confident | 78 Ų | 78 | 108.7 Ų | 108.7 | 36% | 0.364 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.6 | 173.4 | -67.2 | 176.9 | -167.2 | 0 | 0 | 108.6 | R17 K89 F119 | R17-E87 WeakPolarHBondContact CD-OE1 3.39Å; R17-E87 IonicContact CZ-OE1 3.27Å; R17-E87 IonicContact CZ-OE2 3.29Å; R17-E87 VanDerWaalsContact CZ-OE2 3.27Å; R17-E87 IonicContact NE-OE1 3.78Å; R17-E87 PolarHBondContact NE-OE1 3.01Å; R17-E87 IonicContact NE-OE2 2.82Å; R17-E87 PolarHBondContact NE-OE2 3.49Å; R17-E87 IonicContact NH2-OE2 2.76Å; R17-E87 PolarHBondContact NH2-OE2 2.84Å; E87-K89 PolarHBondContact O-N 3.27Å; E87-F119 HydrophobicContact CB-CB 4.32Å; E87-F119 PolarHBondContact N-O 2.87Å |
| 88 | E | 71.3 | Confident | 69 | Low | 177 Ų | 177 | 113.5 Ų | 113.5 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | trans | -80.3 | 108.1 | 166.9 | -64.1 | -172.9 | -178.4 | 0 | 0 | 107.6 | T86 E90 | T86-E88 PolarHBondContact O-N 3.46Å; E88-E90 PolarHBondContact O-N 3.22Å | ||
| 89 | K | 61.1 | Low | 67.2 | Low | 165 Ų | 165 | 116.8 Ų | 116.8 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | trans | -68.4 | 101.1 | 171.4 | -157.1 | 176.9 | -171.2 | 175.7 | 0 | 106.4 | E87 V91 | E87-K89 PolarHBondContact O-N 3.27Å; K89-V91 PolarHBondContact O-N 2.88Å | ||
| 90 | E | 44.3 | Very low | 64.6 | Low | 177 Ų | 177 | 124.2 Ų | 124.2 | 83% | 0.827 | 63% | 0.632 | S | S | * | * | trans | -57.5 | 107 | 163.2 | -72.9 | -170 | 172.7 | 0 | 0 | 106.4 | E88 S92 | E88-E90 PolarHBondContact O-N 3.22Å; E90-S92 PolarHBondContact O-N 3.24Å | ||
| 91 | V | 43.3 | Very low | 62.3 | Low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 64% | 0.644 | S | S | * | * | trans | -67.1 | 81.6 | 169 | 177.5 | 0 | 0 | 0 | 0 | 105.7 | K89 M93 | K89-V91 PolarHBondContact O-N 2.88Å; V91-M93 HydrophobicContact CG1-CG 4.24Å; V91-M93 PolarHBondContact O-N 3.37Å | ||
| 92 | S | 40.4 | Very low | 60 | Low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | trans | -59.4 | 98.1 | 155.4 | 49.8 | 0 | 0 | 0 | 0 | 105.1 | E90 G94 | E90-S92 PolarHBondContact O-N 3.24Å; S92-G94 PolarHBondContact O-N 2.9Å | ||
| 93 | M | 35.7 | Very low | 57.5 | Low | 176 Ų | 176 | 131.5 Ų | 131.5 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | -63.7 | 74.7 | 158.1 | -89.3 | -142.2 | -68.7 | 0 | 0 | 107 | V91 K95 | V91-M93 HydrophobicContact CG1-CG 4.24Å; V91-M93 PolarHBondContact O-N 3.37Å; M93-K95 VanDerWaalsContact C-N 3.31Å; M93-K95 PolarHBondContact O-N 3.42Å | ||
| 94 | G | 40.4 | Very low | 54.6 | Low | 63 Ų | 63 | 136.1 Ų | 136.1 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | -61.1 | 101.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | S92 | S92-G94 PolarHBondContact O-N 2.9Š| ||
| 95 | K | 37.8 | Very low | 52 | Low | 180 Ų | 180 | 138.5 Ų | 138.5 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -31.3 | 122.7 | 167.3 | -172.2 | -178.4 | -179.4 | -171.2 | 0 | 110 | M93 D97 | M93-K95 VanDerWaalsContact C-N 3.31Å; M93-K95 PolarHBondContact O-N 3.42Å; K95-D97 PolarHBondContact O-N 2.82Å | ||
| 96 | P | 38.8 | Very low | 49.6 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -71.7 | 101.3 | 175.1 | 28.3 | -29.6 | 0 | 0 | 0 | 106.9 | R98 | P96-R98 PolarHBondContact O-N 2.77Š| ||
| 97 | D | 39.8 | Very low | 47.3 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 100.7 | 170.1 | -155.2 | 9.8 | 0 | 0 | 0 | 107.4 | K95 L99 | K95-D97 PolarHBondContact O-N 2.82Å; D97-L99 PolarHBondContact O-N 2.92Å | ||
| 98 | R | 50.7 | Low | 45.5 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 80.7 | 174.4 | -71.2 | -177.7 | 173.4 | 166.1 | -1.7 | 108.6 | P96 | P96-R98 PolarHBondContact O-N 2.77Š| ||
| 99 | L | 56.8 | Low | 44.3 | Very low | 158 Ų | 158 | 152 Ų | 152 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -178.1 | 100.2 | 144.8 | -159.1 | 68 | 0 | 0 | 0 | 111.3 | D97 | D97-L99 PolarHBondContact O-N 2.92Š| ||
| 100 | R | 42.2 | Very low | 43.6 | Very low | 245 Ų | 245 | 148.5 Ų | 148.5 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -157.4 | 102.4 | 145.1 | -148.1 | 169.5 | 174.8 | -168.4 | -4.5 | 111.9 | ||||
| 101 | D | 46.1 | Very low | 43.6 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 165.5 | 163.9 | 175.8 | 36.7 | 0 | 0 | 0 | 110.4 | ||||
| 102 | S | 50.4 | Low | 43.9 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 91.6 | 107.8 | 178.9 | -64 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 103 | G | 44 | Very low | 44.5 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -85.3 | 164.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 104 | T | 37.8 | Very low | 45.4 | Very low | 144 Ų | 144 | 146 Ų | 146 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | 178 | 131 | 145.4 | 26.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 105 | D | 41.2 | Very low | 46.3 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 48.9 | 136.5 | 154.9 | -95.8 | -10.1 | 0 | 0 | 0 | 123.9 | ||
| 106 | D | 43.3 | Very low | 47.5 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 58.9 | 68.1 | 155.4 | -54.6 | -31.4 | 0 | 0 | 0 | 117.6 | ||||
| 107 | Q | 44.3 | Very low | 49 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -104.3 | 111.4 | 149.7 | -79.1 | -178.3 | 54.8 | 0 | 0 | 108.2 | E109 | Q107-E109 VanDerWaalsContact C-N 3.29Å; Q107-E109 PolarHBondContact O-N 2.99Å | ||
| 108 | E | 46.6 | Very low | 51.2 | Low | 191 Ų | 191 | 139.7 Ų | 139.7 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | trans | -49.3 | 102.5 | 159.7 | -62 | 177.4 | -169.4 | 0 | 0 | 107.3 | S110 | E108-S110 PolarHBondContact O-N 3.04Å; E108-S110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | E | 44.4 | Very low | 53 | Low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | trans | -44.4 | 120 | 171.1 | -112.4 | -175.6 | -169.9 | 0 | 0 | 108.1 | Q107 P111 | Q107-E109 VanDerWaalsContact C-N 3.29Å; Q107-E109 PolarHBondContact O-N 2.99Å; E109-P111 HydrophobicContact CB-CG 3.41Å; E109-P111 VanDerWaalsContact CB-CG 3.41Å; E109-P111 HydrophobicContact CG-CG 3.73Å; E109-P111 WeakPolarHBondContact O-CD 3.31Å | ||
| 110 | S | 48 | Very low | 54.8 | Low | 91 Ų | 91 | 124.1 Ų | 124.1 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | trans | -103.3 | 69.8 | 161.4 | 55.5 | 0 | 0 | 0 | 0 | 108.3 | E108 L112 | E108-S110 PolarHBondContact O-N 3.04Å; E108-S110 VanDerWaalsContact O-N 3.16Å; S110-L112 PolarHBondContact O-N 3.44Å | ||
| 111 | P | 43.3 | Very low | 57.3 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 53% | 0.532 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | 10.5 | -157.6 | -18.5 | 38.6 | 0 | 0 | 0 | 114.8 | E109 | E109-P111 HydrophobicContact CB-CG 3.41Å; E109-P111 VanDerWaalsContact CB-CG 3.41Å; E109-P111 HydrophobicContact CG-CG 3.73Å; E109-P111 WeakPolarHBondContact O-CD 3.31Å |
| 112 | L | 50.5 | Low | 59.7 | Low | 121 Ų | 121 | 106.3 Ų | 106.3 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -7.3 | -170.9 | -59.1 | 174.6 | 0 | 0 | 0 | 115 | S110 R114 F116 | S110-L112 PolarHBondContact O-N 3.44Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 2.97Å; L112-F116 HydrophobicContact CB-CE2 4.36Å; L112-F116 WeakPolarHBondContact O-CD2 3.21Å; L112-F116 WeakPolarHBondContact O-CE2 3.49Å |
| 113 | E | 52.9 | Low | 61.9 | Low | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -12.1 | -179.1 | -68.5 | -162.9 | 150.3 | 0 | 0 | 114 | R17 | R17-E113 IonicContact NH1-OE1 2.83Š|
| 114 | R | 54.3 | Low | 64.4 | Low | 220 Ų | 220 | 102.3 Ų | 102.3 | 83% | 0.83 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -23 | -177.2 | -95.4 | 176.5 | 58.6 | -136.1 | -7.8 | 114.3 | L112 | L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 2.97Å |
| 115 | D | 58.6 | Low | 67.3 | Low | 87 Ų | 87 | 96.5 Ų | 96.5 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -97.2 | -5 | -176.5 | -60.3 | -23.2 | 0 | 0 | 0 | 112.6 | D117 | D115-D117 PolarHBondContact O-N 2.87Š|
| 116 | F | 63 | Low | 70 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | trans | -93.6 | 103.9 | 176.2 | -59.7 | -45.3 | 0 | 0 | 0 | 111.1 | H15 L112 F119 | H15-F116 AromaticContact CD2-CD1 3.44Å; H15-F116 VanDerWaalsContact CD2-CD1 3.44Å; H15-F116 WeakPolarHBondContact CD2-CD1 3.42Å; H15-F116 AromaticContact CD2-CG 3.76Å; H15-F116 AromaticContact CE1-CD1 3.1Å; H15-F116 WeakPolarHBondContact CE1-CD1 3.22Å; H15-F116 AromaticContact CE1-CE1 3.05Å; H15-F116 WeakPolarHBondContact CE1-CE1 3.46Å; H15-F116 AromaticContact CE1-CG 3.94Å; H15-F116 AromaticContact CE1-CZ 3.86Å; H15-F116 AromaticContact CG-CD1 3.77Å; H15-F116 AromaticContact CG-CG 3.85Å; H15-F116 AromaticContact ND1-CD1 3.57Å; H15-F116 AromaticContact ND1-CE1 3.61Å; H15-F116 AromaticContact ND1-CG 3.95Å; H15-F116 AromaticContact NE2-CD1 3.05Å; H15-F116 WeakPolarHBondContact NE2-CD1 3.25Å; H15-F116 AromaticContact NE2-CE1 3.5Å; H15-F116 AromaticContact NE2-CG 3.87Å; L112-F116 HydrophobicContact CB-CE2 4.36Å; L112-F116 WeakPolarHBondContact O-CD2 3.21Å; L112-F116 WeakPolarHBondContact O-CE2 3.49Å; F116-F119 HydrophobicContact CB-CE1 4.21Å; F116-F119 HydrophobicContact CB-CE2 3.54Å; F116-F119 HydrophobicContact CB-CZ 3.36Å; F116-F119 HydrophobicContact CD2-CE1 4.37Å; F116-F119 AromaticContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CG-CZ 4.02Å; F116-F119 WeakPolarHBondContact O-CE2 3.49Å | ||
| 117 | D | 71.5 | Confident | 72.5 | Confident | 117 Ų | 117 | 88.7 Ų | 88.7 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | trans | -75.7 | -22.9 | -177.1 | -81.6 | -16.9 | 0 | 0 | 0 | 114 | D115 | D115-D117 PolarHBondContact O-N 2.87Š| ||
| 118 | R | 85.8 | Confident | 75 | Confident | 104 Ų | 104 | 83 Ų | 83 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | trans | -138.5 | 126.3 | -175.2 | -68 | -175.7 | -63 | -169.1 | -1.2 | 113 | R11 R13 V14 H15 | R11-R118 PolarHBondContact O-NH2 2.92Å; R13-R118 PolarHBondContact O-NH2 3.18Å; V14-R118 WeakPolarHBondContact CA-O 3.34Å; V14-R118 HydrophobicContact CG1-CB 4.45Å; V14-R118 HydrophobicContact CG2-CB 4.21Å; H15-R118 PolarHBondContact N-O 3.44Å | ||
| 119 | F | 88.9 | Confident | 77.4 | Confident | 29 Ų | 29 | 75 Ų | 75 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.9 | 175.5 | -71.2 | -88.4 | 0 | 0 | 0 | 111.7 | H15 R17 E87 F116 | H15-F119 HydrophobicContact CB-CD1 3.61Å; H15-F119 HydrophobicContact CB-CE1 3.64Å; H15-F119 HydrophobicContact CB-CG 4.4Å; H15-F119 HydrophobicContact CB-CZ 4.46Å; H15-F119 CarbonylContact O-C 3.53Å; H15-F119 VanDerWaalsContact O-CA 3.25Å; H15-F119 WeakPolarHBondContact O-CA 3.4Å; R17-F119 HydrophobicContact CG-CD1 4.07Å; E87-F119 HydrophobicContact CB-CB 4.32Å; E87-F119 PolarHBondContact N-O 2.87Å; F116-F119 HydrophobicContact CB-CE1 4.21Å; F116-F119 HydrophobicContact CB-CE2 3.54Å; F116-F119 HydrophobicContact CB-CZ 3.36Å; F116-F119 HydrophobicContact CD2-CE1 4.37Å; F116-F119 AromaticContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CD2-CZ 3.85Å; F116-F119 HydrophobicContact CG-CZ 4.02Å; F116-F119 WeakPolarHBondContact O-CE2 3.49Å |
| 120 | I | 94.6 | Very high | 80 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 19% | 0.185 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.6 | 170.5 | -167.1 | 172.5 | 0 | 0 | 0 | 108.6 | V14 H15 L16 R17 M84 V85 | V14-I120 HydrophobicContact CG1-CB 3.89Å; V14-I120 HydrophobicContact CG1-CG2 3.83Å; H15-I120 PolarHBondContact O-N 2.79Å; L16-I120 WeakPolarHBondContact CA-O 3.43Å; L16-I120 HydrophobicContact CB-CG2 4.26Å; L16-I120 HydrophobicContact CD1-CG2 3.96Å; R17-I120 PolarHBondContact N-O 2.92Å; M84-I120 HydrophobicContact CB-CD1 3.65Å; M84-I120 HydrophobicContact CB-CG1 3.92Å; M84-I120 HydrophobicContact CG-CD1 4.49Å; M84-I120 HydrophobicContact SD-CD1 4.18Å; V85-I120 WeakPolarHBondContact O-CG1 3.31Å |
| 121 | G | 94.5 | Very high | 82.3 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T20 M84 V85 | T20-G121 WeakPolarHBondContact OG1-CA 3.43Å; M84-G121 CarbonylContact C-O 3.54Å; M84-G121 VanDerWaalsContact CA-O 3.3Å; M84-G121 WeakPolarHBondContact CA-O 3.33Å; V85-G121 PolarHBondContact N-O 3.35Å; V85-G121 PolarHBondContact O-N 3.48Å |
| 122 | A | 96.4 | Very high | 84.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T20 L21 A24 Y82 V83 | T20-A122 WeakPolarHBondContact CB-O 3.44Å; T20-A122 PolarHBondContact OG1-N 3Å; L21-A122 HydrophobicContact CD2-CB 3.84Å; A24-A122 HydrophobicContact CB-CB 4.13Å; Y82-A122 HydrophobicContact CD1-CB 3.77Å; Y82-A122 HydrophobicContact CE1-CB 4.38Å; Y82-A122 HydrophobicContact CG-CB 4.37Å; V83-A122 CarbonylContact O-C 3.59Å; V83-A122 WeakPolarHBondContact O-CA 3.26Å |
| 123 | T | 95.8 | Very high | 87.1 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -30.5 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | V83 V85 | V83-T123 PolarHBondContact O-N 2.89Å; V83-T123 PolarHBondContact O-OG1 2.76Å; V85-T123 HydrophobicContact CB-CG2 3.82Å; V85-T123 HydrophobicContact CG2-CG2 3.53Å |
| 124 | A | 97.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 161.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A25 V27 Y82 V83 | A25-A124 CarbonylContact O-C 3.57Å; A25-A124 WeakPolarHBondContact O-CA 3.15Å; A25-A124 WeakPolarHBondContact O-CB 3.46Å; V27-A124 HydrophobicContact CB-CB 3.78Å; V27-A124 HydrophobicContact CG1-CB 3.5Å; Y82-A124 WeakPolarHBondContact CA-O 3.39Å; V83-A124 HydrophobicContact CB-CB 4.21Å; V83-A124 HydrophobicContact CG2-CB 4.26Å; V83-A124 PolarHBondContact N-O 3.01Å |
| 125 | S | 97.6 | Very high | 91 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 154.8 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | A24 A25 P26 V27 G81 | A24-S125 PolarHBondContact O-OG 2.97Å; A25-S125 PolarHBondContact O-N 3.48Å; P26-S125 CarbonylContact C-O 3.58Å; P26-S125 VanDerWaalsContact CA-O 3.26Å; P26-S125 WeakPolarHBondContact CA-O 3.42Å; V27-S125 PolarHBondContact N-O 2.95Å; G81-S125 CarbonylContact O-C 3.51Å; G81-S125 VanDerWaalsContact O-CA 3.31Å; G81-S125 WeakPolarHBondContact O-CA 3.47Å |
| 126 | F | 97.9 | Very high | 92.7 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 18% | 0.18 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 147 | 176.4 | 66.8 | -83.4 | 0 | 0 | 0 | 111.9 | L29 V75 G81 V83 F129 | L29-F126 HydrophobicContact CD1-CB 4.23Å; L29-F126 HydrophobicContact CD1-CD1 3.34Å; L29-F126 HydrophobicContact CD1-CD2 3.82Å; L29-F126 HydrophobicContact CD1-CE1 3.45Å; L29-F126 VanDerWaalsContact CD1-CE1 3.45Å; L29-F126 HydrophobicContact CD1-CE2 3.92Å; L29-F126 HydrophobicContact CD1-CG 3.53Å; L29-F126 HydrophobicContact CD1-CZ 3.74Å; L29-F126 HydrophobicContact CG-CD1 4.41Å; L29-F126 HydrophobicContact CG-CG 4.37Å; V75-F126 HydrophobicContact CG2-CD2 3.83Å; V75-F126 HydrophobicContact CG2-CE2 3.71Å; G81-F126 VanDerWaalsContact C-CD1 3.49Å; G81-F126 VanDerWaalsContact C-CE1 3.44Å; G81-F126 VanDerWaalsContact CA-CE1 3.43Å; G81-F126 WeakPolarHBondContact CA-O 3.22Å; G81-F126 PolarHBondContact N-O 3.32Å; G81-F126 PolarHBondContact O-N 3.44Å; V83-F126 HydrophobicContact CG2-CD1 4.47Å; F126-F129 HydrophobicContact CE2-CD1 4.44Å |
| 127 | S | 97 | Very high | 94.2 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 57% | 0.566 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -107.6 | -13.9 | 175.8 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | V75 | V75-S127 WeakPolarHBondContact CB-O 3.43Å; V75-S127 WeakPolarHBondContact CG2-O 3.32Å; V75-S127 PolarHBondContact N-O 3.01Å |
| 128 | H | 96.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 32% | 0.324 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 165 | 180 | 62.1 | -85.8 | 0 | 0 | 0 | 109.4 | E72 V73 | E72-H128 HydrophobicContact CG-CB 4.1Å; E72-H128 IonicContact OE1-CD2 2.87Å; E72-H128 PolarHBondContact OE1-CD2 3.07Å; E72-H128 IonicContact OE1-CE1 3.36Å; E72-H128 IonicContact OE1-CG 3.97Å; E72-H128 IonicContact OE1-ND1 3.68Å; E72-H128 IonicContact OE1-NE2 3.07Å; E72-H128 PolarHBondContact OE1-NE2 2.82Å; V73-H128 CarbonylContact O-C 3.56Å; V73-H128 VanDerWaalsContact O-CA 3.26Å; V73-H128 WeakPolarHBondContact O-CA 3.48Å |
| 129 | F | 97.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 157 | 172.3 | 67 | -82 | 0 | 0 | 0 | 110 | L29 L31 V73 F126 L131 V144 L148 | L29-F129 HydrophobicContact CB-CB 3.74Å; L31-F129 HydrophobicContact CB-CD2 4.27Å; L31-F129 HydrophobicContact CB-CE2 4.3Å; L31-F129 HydrophobicContact CD2-CE2 4.38Å; V73-F129 HydrophobicContact CB-CD1 4.47Å; V73-F129 HydrophobicContact CB-CE1 4.02Å; V73-F129 HydrophobicContact CB-CE2 4.34Å; V73-F129 HydrophobicContact CB-CZ 3.95Å; V73-F129 HydrophobicContact CG1-CE1 3.93Å; V73-F129 HydrophobicContact CG1-CZ 3.94Å; V73-F129 PolarHBondContact N-O 2.83Å; V73-F129 PolarHBondContact O-N 2.9Å; F126-F129 HydrophobicContact CE2-CD1 4.44Å; F129-L131 HydrophobicContact CE2-CB 4.23Å; F129-V144 HydrophobicContact CE2-CG1 4.4Å; F129-V144 HydrophobicContact CZ-CG1 3.99Å; F129-L148 HydrophobicContact CE1-CD1 4.27Å; F129-L148 HydrophobicContact CZ-CD1 4.2Å |
| 130 | T | 97.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.7 | 175.1 | -38.2 | 0 | 0 | 0 | 0 | 110.4 | L29 H30 L31 L59 E71 W132 | L29-T130 PolarHBondContact O-N 3.32Å; H30-T130 WeakPolarHBondContact CA-O 3.48Å; H30-T130 WeakPolarHBondContact ND1-CB 3.49Å; H30-T130 PolarHBondContact ND1-OG1 3.49Å; L31-T130 PolarHBondContact N-O 3.34Å; L59-T130 HydrophobicContact CD1-CG2 3.68Å; E71-T130 WeakPolarHBondContact O-CA 3.5Å; E71-T130 WeakPolarHBondContact O-CG2 3.42Å; T130-W132 HydrophobicContact CG2-CD2 4.16Å; T130-W132 HydrophobicContact CG2-CH2 4.35Å; T130-W132 HydrophobicContact CG2-CZ2 3.64Å |
| 131 | L | 97.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.6 | 173.5 | 178.3 | 64.1 | 0 | 0 | 0 | 109 | L31 G70 E71 V73 F129 P138 | L31-L131 HydrophobicContact CB-CD1 4.29Å; L31-L131 HydrophobicContact CD2-CD1 3.77Å; L31-L131 HydrophobicContact CG-CD1 4.27Å; G70-L131 CarbonylContact C-O 3.56Å; G70-L131 WeakPolarHBondContact CA-O 3.4Å; E71-L131 PolarHBondContact N-O 3.34Å; E71-L131 PolarHBondContact O-N 2.83Å; V73-L131 HydrophobicContact CG2-CB 3.7Å; V73-L131 HydrophobicContact CG2-CD2 4.16Å; F129-L131 HydrophobicContact CE2-CB 4.23Å; L131-P138 HydrophobicContact CD1-CG 4.47Å; L131-P138 HydrophobicContact CD2-CB 3.88Å; L131-P138 HydrophobicContact CD2-CG 4.03Å; L131-P138 HydrophobicContact CG-CB 4.32Å; L131-P138 HydrophobicContact CG-CG 3.9Å |
| 132 | W | 97.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.3 | 179.2 | -62.9 | 100 | 0 | 0 | 0 | 111.5 | H30 L31 L32 P33 F48 I52 L59 V61 L68 T130 | H30-W132 AromaticContact CG-NE1 3.76Å; H30-W132 AromaticContact ND1-NE1 3.49Å; H30-W132 PolarHBondContact ND1-NE1 2.58Å; L31-W132 WeakPolarHBondContact O-CB 3.38Å; L31-W132 PolarHBondContact O-N 3.48Å; L32-W132 HydrophobicContact CD2-CG 4.32Å; P33-W132 WeakPolarHBondContact CD-O 3.3Å; F48-W132 AromaticContact CE1-CE2 3.95Å; F48-W132 AromaticContact CE1-CZ2 3.97Å; F48-W132 HydrophobicContact CE1-CZ2 3.97Å; F48-W132 AromaticContact CE1-NE1 3.73Å; F48-W132 HydrophobicContact CZ-CD2 4.35Å; F48-W132 AromaticContact CZ-CE2 3.72Å; F48-W132 AromaticContact CZ-CZ2 3.99Å; F48-W132 HydrophobicContact CZ-CZ2 3.99Å; F48-W132 AromaticContact CZ-NE1 3.6Å; I52-W132 HydrophobicContact CD1-CZ2 4.09Å; I52-W132 HydrophobicContact CG1-CH2 4.22Å; I52-W132 HydrophobicContact CG1-CZ2 4.12Å; I52-W132 HydrophobicContact CG2-CH2 4.17Å; L59-W132 HydrophobicContact CB-CH2 3.67Å; L59-W132 HydrophobicContact CB-CZ3 3.92Å; V61-W132 HydrophobicContact CB-CH2 3.84Å; V61-W132 HydrophobicContact CB-CZ2 4.42Å; V61-W132 HydrophobicContact CB-CZ3 4.06Å; V61-W132 HydrophobicContact CG1-CD2 4.04Å; V61-W132 HydrophobicContact CG1-CE3 3.7Å; V61-W132 HydrophobicContact CG1-CH2 3.42Å; V61-W132 VanDerWaalsContact CG1-CH2 3.42Å; V61-W132 HydrophobicContact CG1-CZ2 3.76Å; V61-W132 HydrophobicContact CG1-CZ3 3.4Å; L68-W132 HydrophobicContact CB-CB 4.46Å; L68-W132 HydrophobicContact CB-CD2 4.47Å; L68-W132 HydrophobicContact CB-CE3 3.86Å; L68-W132 HydrophobicContact CD1-CB 4.29Å; T130-W132 HydrophobicContact CG2-CD2 4.16Å; T130-W132 HydrophobicContact CG2-CH2 4.35Å; T130-W132 HydrophobicContact CG2-CZ2 3.64Å |
| 133 | G | 96.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 156.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L68 R69 E135 T136 | L68-G133 CarbonylContact C-O 3.58Å; L68-G133 VanDerWaalsContact CA-O 3.24Å; L68-G133 WeakPolarHBondContact CA-O 3.43Å; R69-G133 PolarHBondContact N-O 3.49Å; R69-G133 PolarHBondContact O-N 2.95Å; G133-E135 PolarHBondContact O-N 3.05Å; G133-T136 CarbonylContact C-O 3.57Å; G133-T136 VanDerWaalsContact C-O 3.3Å; G133-T136 VanDerWaalsContact CA-O 3.26Å; G133-T136 WeakPolarHBondContact CA-O 3.44Å |
| 134 | L | 96.5 | Very high | 95.1 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 34% | 0.335 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 118.8 | 177.2 | 175.4 | 70.5 | 0 | 0 | 0 | 109.1 | P33 R66 L68 T136 | P33-L134 HydrophobicContact CG-CB 4.47Å; R66-L134 HydrophobicContact CB-CD1 4.27Å; L68-L134 HydrophobicContact CD2-CD1 4.38Å; L134-T136 PolarHBondContact O-N 2.85Å; L134-T136 PolarHBondContact O-OG1 3.17Å |
| 135 | E | 93.1 | Very high | 94.9 | Very high | 125 Ų | 125 | 59.8 Ų | 59.8 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 59.6 | -24.5 | 179.8 | -61.2 | 176.3 | -176.5 | 0 | 0 | 116.5 | C67 R69 G133 | C67-E135 PolarHBondContact O-N 3Å; R69-E135 WeakPolarHBondContact CD-O 3.26Å; R69-E135 WeakPolarHBondContact CG-O 3.35Å; R69-E135 PolarHBondContact NE-O 3.38Å; G133-E135 PolarHBondContact O-N 3.05Å |
| 136 | T | 93.4 | Very high | 94.8 | Very high | 98 Ų | 98 | 60.7 Ų | 60.7 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -134.9 | 149.1 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | G133 L134 | G133-T136 CarbonylContact C-O 3.57Å; G133-T136 VanDerWaalsContact C-O 3.3Å; G133-T136 VanDerWaalsContact CA-O 3.26Å; G133-T136 WeakPolarHBondContact CA-O 3.44Å; L134-T136 PolarHBondContact O-N 2.85Å; L134-T136 PolarHBondContact O-OG1 3.17Å |
| 137 | I | 94.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 61.8 Ų | 61.8 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 136.4 | 176.6 | -60.5 | 176.6 | 0 | 0 | 0 | 108.6 | E57 R69 E71 G139 | E57-I137 WeakPolarHBondContact O-CD1 3.32Å; R69-I137 HydrophobicContact CB-CG1 3.71Å; E71-I137 HydrophobicContact CB-CG2 4.13Å; E71-I137 HydrophobicContact CG-CG2 4.13Å; E71-I137 WeakPolarHBondContact OE1-CG2 3.27Å; I137-G139 PolarHBondContact O-N 2.9Å |
| 138 | P | 93.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 17% | 0.169 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 126.4 | 178.8 | -28.4 | 40.3 | 0 | 0 | 0 | 112.3 | L131 A142 R145 | L131-P138 HydrophobicContact CD1-CG 4.47Å; L131-P138 HydrophobicContact CD2-CB 3.88Å; L131-P138 HydrophobicContact CD2-CG 4.03Å; L131-P138 HydrophobicContact CG-CB 4.32Å; L131-P138 HydrophobicContact CG-CG 3.9Å; P138-A142 HydrophobicContact CB-CB 4.03Å; P138-R145 PolarHBondContact O-NH2 3.15Å |
| 139 | G | 91 | Very high | 94.5 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 172.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I137 D141 A142 R145 | I137-G139 PolarHBondContact O-N 2.9Å; G139-D141 PolarHBondContact O-N 2.84Å; G139-A142 VanDerWaalsContact O-CB 3.25Å; G139-A142 WeakPolarHBondContact O-CB 3.17Å; G139-A142 PolarHBondContact O-N 2.86Å; G139-A142 VanDerWaalsContact O-N 3.13Å; G139-R145 WeakPolarHBondContact O-CD 3.1Å; G139-R145 PolarHBondContact O-NE 3.32Å; G139-R145 VanDerWaalsContact O-NE 3.17Å |
| 140 | P | 90.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 67.6 Ų | 67.6 | 76% | 0.76 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.9 | 179 | 27.3 | -34.8 | 0 | 0 | 0 | 113.3 | A142 | P140-A142 VanDerWaalsContact C-N 3.29Š|
| 141 | D | 89.3 | Confident | 94.3 | Very high | 145 Ų | 145 | 69 Ų | 69 | 78% | 0.775 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -2.6 | 178 | 63.8 | -39.8 | 0 | 0 | 0 | 113.7 | G139 K143 | G139-D141 PolarHBondContact O-N 2.84Å; D141-K143 PolarHBondContact O-N 2.85Å |
| 142 | A | 92.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 73.1 Ų | 73.1 | 20% | 0.198 | 42% | 0.416 | C | S | . | . | trans | -56.8 | 131.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P138 G139 P140 V144 R145 G146 | P138-A142 HydrophobicContact CB-CB 4.03Å; G139-A142 VanDerWaalsContact O-CB 3.25Å; G139-A142 WeakPolarHBondContact O-CB 3.17Å; G139-A142 PolarHBondContact O-N 2.86Å; G139-A142 VanDerWaalsContact O-N 3.13Å; P140-A142 VanDerWaalsContact C-N 3.29Å; A142-V144 PolarHBondContact O-N 2.89Å; A142-R145 HydrophobicContact CB-CG 4.45Å; A142-R145 WeakPolarHBondContact O-CB 3.45Å; A142-R145 PolarHBondContact O-N 3.37Å; A142-G146 PolarHBondContact O-N 3.09Å | ||
| 143 | K | 94.9 | Very high | 94 | Very high | 192 Ų | 192 | 77.5 Ų | 77.5 | 84% | 0.835 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -51.7 | -36.2 | -177.8 | -64.8 | -179.7 | -179 | 178.4 | 0 | 113.3 | D141 R145 G146 A147 | D141-K143 PolarHBondContact O-N 2.85Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.83Å; K143-G146 PolarHBondContact O-N 3.07Å; K143-A147 PolarHBondContact O-N 3.49Å |
| 144 | V | 94.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 178 | 179 | 0 | 0 | 0 | 0 | 111.1 | L31 F129 A142 A147 L148 | L31-V144 HydrophobicContact CD2-CG1 4.31Å; L31-V144 HydrophobicContact CD2-CG2 3.78Å; F129-V144 HydrophobicContact CE2-CG1 4.4Å; F129-V144 HydrophobicContact CZ-CG1 3.99Å; A142-V144 PolarHBondContact O-N 2.89Å; V144-A147 WeakPolarHBondContact O-CB 3.05Å; V144-A147 PolarHBondContact O-N 3.33Å; V144-L148 HydrophobicContact CG1-CD1 4.34Å; V144-L148 WeakPolarHBondContact O-CG 3.5Å; V144-L148 PolarHBondContact O-N 3.43Å |
| 145 | R | 93.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 28% | 0.279 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 178.1 | -63.9 | 179.6 | 178.7 | -91.2 | 18.2 | 111.5 | E71 P138 G139 A142 K143 A147 L148 T149 | E71-R145 IonicContact OE1-CZ 3.74Å; E71-R145 IonicContact OE1-NH2 2.76Å; E71-R145 PolarHBondContact OE1-NH2 3.25Å; E71-R145 IonicContact OE2-CZ 3.34Å; E71-R145 IonicContact OE2-NH1 2.87Å; E71-R145 IonicContact OE2-NH2 3.59Å; E71-R145 PolarHBondContact OE2-NH2 2.89Å; P138-R145 PolarHBondContact O-NH2 3.15Å; G139-R145 WeakPolarHBondContact O-CD 3.1Å; G139-R145 PolarHBondContact O-NE 3.32Å; G139-R145 VanDerWaalsContact O-NE 3.17Å; A142-R145 HydrophobicContact CB-CG 4.45Å; A142-R145 WeakPolarHBondContact O-CB 3.45Å; A142-R145 PolarHBondContact O-N 3.37Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.83Å; R145-A147 VanDerWaalsContact C-N 3.33Å; R145-A147 PolarHBondContact O-N 3.19Å; R145-L148 PolarHBondContact O-N 3.07Å; R145-T149 PolarHBondContact O-N 3.09Å |
| 146 | G | 93.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 75.6 Ų | 75.6 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A142 K143 L148 T149 | A142-G146 PolarHBondContact O-N 3.09Å; K143-G146 PolarHBondContact O-N 3.07Å; G146-L148 VanDerWaalsContact C-N 3.32Å; G146-L148 PolarHBondContact O-N 2.64Å; G146-T149 PolarHBondContact O-N 3.41Å; G146-T149 PolarHBondContact O-OG1 3.14Å |
| 147 | A | 96.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 76.2 Ų | 76.2 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K143 V144 R145 T149 W150 | K143-A147 PolarHBondContact O-N 3.49Å; V144-A147 WeakPolarHBondContact O-CB 3.05Å; V144-A147 PolarHBondContact O-N 3.33Å; R145-A147 VanDerWaalsContact C-N 3.33Å; R145-A147 PolarHBondContact O-N 3.19Å; A147-T149 VanDerWaalsContact C-N 3.28Å; A147-T149 PolarHBondContact O-N 2.97Å; A147-W150 WeakPolarHBondContact O-CB 3.25Å; A147-W150 PolarHBondContact O-N 3.07Å |
| 148 | L | 95.2 | Very high | 93.6 | Very high | 47 Ų | 47 | 78.8 Ų | 78.8 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -69.9 | -20.9 | 178.1 | -69.5 | 171.3 | 0 | 0 | 0 | 113.6 | V73 P76 F129 V144 R145 G146 P151 | V73-L148 HydrophobicContact CG1-CD1 3.51Å; P76-L148 HydrophobicContact CG-CB 4.12Å; P76-L148 HydrophobicContact CG-CD2 4.11Å; P76-L148 WeakPolarHBondContact CG-O 3.44Å; F129-L148 HydrophobicContact CE1-CD1 4.27Å; F129-L148 HydrophobicContact CZ-CD1 4.2Å; V144-L148 HydrophobicContact CG1-CD1 4.34Å; V144-L148 WeakPolarHBondContact O-CG 3.5Å; V144-L148 PolarHBondContact O-N 3.43Å; R145-L148 PolarHBondContact O-N 3.07Å; G146-L148 VanDerWaalsContact C-N 3.32Å; G146-L148 PolarHBondContact O-N 2.64Å; L148-P151 WeakPolarHBondContact O-CD 3.29Å |
| 149 | T | 94.8 | Very high | 93.4 | Very high | 95 Ų | 95 | 87.3 Ų | 87.3 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -85.6 | -17.9 | 175.6 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | R145 G146 A147 S152 | R145-T149 PolarHBondContact O-N 3.09Å; G146-T149 PolarHBondContact O-N 3.41Å; G146-T149 PolarHBondContact O-OG1 3.14Å; A147-T149 VanDerWaalsContact C-N 3.28Å; A147-T149 PolarHBondContact O-N 2.97Å; T149-S152 PolarHBondContact O-N 2.88Å |
| 150 | W | 96.2 | Very high | 93.1 | Very high | 155 Ų | 155 | 88.9 Ų | 88.9 | 59% | 0.587 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.6 | -44.1 | -178.3 | 172.2 | -111 | 0 | 0 | 0 | 114.7 | A147 S152 L153 A154 | A147-W150 WeakPolarHBondContact O-CB 3.25Å; A147-W150 PolarHBondContact O-N 3.07Å; W150-S152 VanDerWaalsContact C-N 3.26Å; W150-S152 PolarHBondContact O-N 2.9Å; W150-L153 HydrophobicContact CE3-CB 4.37Å; W150-L153 HydrophobicContact CE3-CD2 3.9Å; W150-L153 HydrophobicContact CE3-CG 4.37Å; W150-L153 HydrophobicContact CZ3-CD2 3.71Å; W150-L153 HydrophobicContact CZ3-CG 4.16Å; W150-L153 WeakPolarHBondContact O-CB 3.48Å; W150-L153 PolarHBondContact O-N 3.24Å; W150-A154 HydrophobicContact CD2-CB 4.49Å; W150-A154 HydrophobicContact CZ2-CB 4.14Å; W150-A154 WeakPolarHBondContact O-CB 3.45Å; W150-A154 PolarHBondContact O-N 2.88Å |
| 151 | P | 95.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 89.8 Ų | 89.8 | 31% | 0.305 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.2 | -36.2 | -177.9 | -27.6 | 36.6 | 0 | 0 | 0 | 114.1 | L79 L148 A154 A155 | L79-P151 HydrophobicContact CD1-CB 3.63Å; L79-P151 HydrophobicContact CD1-CG 3.78Å; L148-P151 WeakPolarHBondContact O-CD 3.29Å; P151-A154 PolarHBondContact O-N 3.12Å; P151-A155 WeakPolarHBondContact O-CB 3.05Å; P151-A155 PolarHBondContact O-N 2.94Å |
| 152 | S | 93.4 | Very high | 92.2 | Very high | 94 Ų | 94 | 88.2 Ų | 88.2 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | T149 W150 A155 A156 | T149-S152 PolarHBondContact O-N 2.88Å; W150-S152 VanDerWaalsContact C-N 3.26Å; W150-S152 PolarHBondContact O-N 2.9Å; S152-A155 PolarHBondContact O-N 2.87Å; S152-A156 PolarHBondContact O-N 2.87Å |
| 153 | L | 94.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.6 | -44.9 | 175.7 | 179.8 | 59.8 | 0 | 0 | 0 | 111.5 | W150 A155 A156 V157 | W150-L153 HydrophobicContact CE3-CB 4.37Å; W150-L153 HydrophobicContact CE3-CD2 3.9Å; W150-L153 HydrophobicContact CE3-CG 4.37Å; W150-L153 HydrophobicContact CZ3-CD2 3.71Å; W150-L153 HydrophobicContact CZ3-CG 4.16Å; W150-L153 WeakPolarHBondContact O-CB 3.48Å; W150-L153 PolarHBondContact O-N 3.24Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.85Å; L153-A156 WeakPolarHBondContact O-CB 3.08Å; L153-A156 PolarHBondContact O-N 3Å; L153-A156 VanDerWaalsContact O-N 3.11Å; L153-V157 HydrophobicContact CD1-CG2 4.28Å; L153-V157 WeakPolarHBondContact O-CG2 3.32Å; L153-V157 PolarHBondContact O-N 3.4Å |
| 154 | A | 95.1 | Very high | 89.2 | Confident | 23 Ų | 23 | 88.8 Ų | 88.8 | 19% | 0.19 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W150 P151 A156 V157 S158 | W150-A154 HydrophobicContact CD2-CB 4.49Å; W150-A154 HydrophobicContact CZ2-CB 4.14Å; W150-A154 WeakPolarHBondContact O-CB 3.45Å; W150-A154 PolarHBondContact O-N 2.88Å; P151-A154 PolarHBondContact O-N 3.12Å; A154-A156 VanDerWaalsContact C-N 3.32Å; A154-A156 PolarHBondContact O-N 2.9Å; A154-V157 PolarHBondContact O-N 3.32Å; A154-S158 VanDerWaalsContact O-CB 3.23Å; A154-S158 WeakPolarHBondContact O-CB 3.05Å; A154-S158 PolarHBondContact O-N 3.12Å; A154-S158 PolarHBondContact O-OG 3.5Å |
| 155 | A | 92.6 | Very high | 87.4 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P151 S152 L153 R159 | P151-A155 WeakPolarHBondContact O-CB 3.05Å; P151-A155 PolarHBondContact O-N 2.94Å; S152-A155 PolarHBondContact O-N 2.87Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.85Å; A155-R159 PolarHBondContact O-N 3.48Å |
| 156 | A | 92.4 | Very high | 85.5 | Confident | 67 Ų | 67 | 99 Ų | 99 | 55% | 0.554 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.4 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S152 L153 A154 R159 | S152-A156 PolarHBondContact O-N 2.87Å; L153-A156 WeakPolarHBondContact O-CB 3.08Å; L153-A156 PolarHBondContact O-N 3Å; L153-A156 VanDerWaalsContact O-N 3.11Å; A154-A156 VanDerWaalsContact C-N 3.32Å; A154-A156 PolarHBondContact O-N 2.9Å; A156-R159 WeakPolarHBondContact O-CB 3.2Å; A156-R159 PolarHBondContact O-N 2.65Å |
| 157 | V | 93.3 | Very high | 83.8 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 67% | 0.673 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.4 | -38.1 | -179.8 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | L153 A154 R159 | L153-V157 HydrophobicContact CD1-CG2 4.28Å; L153-V157 WeakPolarHBondContact O-CG2 3.32Å; L153-V157 PolarHBondContact O-N 3.4Å; A154-V157 PolarHBondContact O-N 3.32Å; V157-R159 PolarHBondContact O-N 3.14Å |
| 158 | S | 91.7 | Very high | 81.6 | Confident | 97 Ų | 97 | 106.8 Ų | 106.8 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -9.1 | -178 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | A154 G160 | A154-S158 VanDerWaalsContact O-CB 3.23Å; A154-S158 WeakPolarHBondContact O-CB 3.05Å; A154-S158 PolarHBondContact O-N 3.12Å; A154-S158 PolarHBondContact O-OG 3.5Å; S158-G160 PolarHBondContact O-N 3.01Å; S158-G160 VanDerWaalsContact O-N 3.14Å |
| 159 | R | 89.6 | Confident | 79.5 | Confident | 205 Ų | 205 | 108.2 Ų | 108.2 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65 | 117.3 | 177.3 | -160.5 | 175.6 | -166.7 | 112.7 | 0.4 | 108.1 | A155 A156 V157 V161 | A155-R159 PolarHBondContact O-N 3.48Å; A156-R159 WeakPolarHBondContact O-CB 3.2Å; A156-R159 PolarHBondContact O-N 2.65Å; V157-R159 PolarHBondContact O-N 3.14Å; R159-V161 PolarHBondContact O-N 2.87Å |
| 160 | G | 85.4 | Confident | 77.3 | Confident | 61 Ų | 61 | 109.9 Ų | 109.9 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 138.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S158 | S158-G160 PolarHBondContact O-N 3.01Å; S158-G160 VanDerWaalsContact O-N 3.14Å |
| 161 | V | 83.1 | Confident | 74.9 | Confident | 137 Ų | 137 | 106.1 Ų | 106.1 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.7 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | R159 S163 | R159-V161 PolarHBondContact O-N 2.87Å; V161-S163 PolarHBondContact O-N 3.48Å; V161-S163 VanDerWaalsContact O-N 3.14Å |
| 162 | P | 77.6 | Confident | 72.6 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.1 | 176.4 | 23 | -30.9 | 0 | 0 | 0 | 108.1 | C164 | P162-C164 PolarHBondContact O-N 2.83Š|
| 163 | S | 70 | Confident | 70.4 | Confident | 112 Ų | 112 | 110.6 Ų | 110.6 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 125 | 173.3 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | V161 | V161-S163 PolarHBondContact O-N 3.48Å; V161-S163 VanDerWaalsContact O-N 3.14Å |
| 164 | C | 55.9 | Low | 68.1 | Low | 116 Ų | 116 | 112.5 Ų | 112.5 | 78% | 0.784 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 108 | P162 R166 | P162-C164 PolarHBondContact O-N 2.83Å; C164-R166 PolarHBondContact O-N 2.82Å |
| 165 | P | 56.6 | Low | 65.9 | Low | 117 Ų | 117 | 114.5 Ų | 114.5 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 120.1 | 173.6 | 21.5 | -29.6 | 0 | 0 | 0 | 107.7 | V167 | P165-V167 PolarHBondContact O-N 3.49Š|
| 166 | R | 52.6 | Low | 63.5 | Low | 216 Ų | 216 | 119.5 Ų | 119.5 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | trans | -61.2 | 111.3 | 171.5 | -178.5 | 173.5 | -77.4 | 150.3 | -2.9 | 106.1 | C164 D168 | C164-R166 PolarHBondContact O-N 2.82Å; R166-D168 VanDerWaalsContact C-N 3.28Å; R166-D168 PolarHBondContact O-N 3.34Å | ||
| 167 | V | 58.5 | Low | 61.4 | Low | 121 Ų | 121 | 121 Ų | 121 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -72.7 | 91.7 | 174.9 | -147.2 | 0 | 0 | 0 | 0 | 106.3 | P165 G169 | P165-V167 PolarHBondContact O-N 3.49Å; V167-G169 VanDerWaalsContact C-N 3.35Å; V167-G169 PolarHBondContact O-N 3.09Å | ||
| 168 | D | 50.4 | Low | 59 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 96.8 | 174 | -69.5 | -32 | 0 | 0 | 0 | 107.9 | R166 | R166-D168 VanDerWaalsContact C-N 3.28Å; R166-D168 PolarHBondContact O-N 3.34Å |
| 169 | G | 49.8 | Very low | 56.9 | Low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.4 | -7.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | V167 | V167-G169 VanDerWaalsContact C-N 3.35Å; V167-G169 PolarHBondContact O-N 3.09Å |
| 170 | L | 49.6 | Very low | 54.9 | Low | 129 Ų | 129 | 121.4 Ų | 121.4 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -111 | 103.7 | 170.4 | -149.4 | 73.4 | 0 | 0 | 0 | 109.2 | S172 | L170-S172 PolarHBondContact O-N 3.19Š| ||
| 171 | G | 45.8 | Very low | 52.5 | Low | 77 Ų | 77 | 120.9 Ų | 120.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -54.8 | 100.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T173 | G171-T173 PolarHBondContact O-N 3.14Š| ||
| 172 | S | 46.2 | Very low | 50.5 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -88.4 | 89.2 | 175.9 | -158.1 | 0 | 0 | 0 | 0 | 107.4 | L170 I174 | L170-S172 PolarHBondContact O-N 3.19Å; S172-I174 PolarHBondContact O-N 3.16Å | ||
| 173 | T | 48.8 | Very low | 48.8 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | -74 | 104.3 | 166.5 | 35 | 0 | 0 | 0 | 0 | 108.4 | G171 G175 | G171-T173 PolarHBondContact O-N 3.14Å; T173-G175 PolarHBondContact O-N 3.23Å; T173-G175 VanDerWaalsContact O-N 3.09Å | ||
| 174 | I | 45.9 | Very low | 47.5 | Very low | 136 Ų | 136 | 131 Ų | 131 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -66.4 | 102 | 163.2 | -71.3 | 173.6 | 0 | 0 | 0 | 106.9 | S172 | S172-I174 PolarHBondContact O-N 3.16Š| ||
| 175 | G | 47.6 | Very low | 46.9 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -86.6 | 109.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | T173 T177 | T173-G175 PolarHBondContact O-N 3.23Å; T173-G175 VanDerWaalsContact O-N 3.09Å; G175-T177 PolarHBondContact O-N 2.85Å | ||
| 176 | Q | 42 | Very low | 46.4 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -69.2 | 125.8 | 164.3 | -90 | -177.6 | 4.7 | 0 | 0 | 109.1 | ||||
| 177 | T | 49.8 | Very low | 46 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | trans | -109.1 | 150.2 | 152.9 | 59.3 | 0 | 0 | 0 | 0 | 108.9 | G175 | G175-T177 PolarHBondContact O-N 2.85Š| ||
| 178 | K | 42.8 | Very low | 44.9 | Very low | 200 Ų | 200 | 127.9 Ų | 127.9 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -43.1 | 159.3 | -178.4 | -79.5 | -174.1 | 177.7 | -179.1 | 0 | 114.7 | ||
| 179 | P | 47.4 | Very low | 44.5 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -69.7 | 133.9 | -136.5 | 32.7 | -33.9 | 0 | 0 | 0 | 112.3 | ||
| 180 | G | 46.6 | Very low | 44.1 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 134.9 | 5.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 181 | G | 36 | Very low | 43.5 | Very low | 49 Ų | 49 | 136.7 Ų | 136.7 | 51% | 0.505 | 75% | 0.754 | S | S | . | * | trans | -166.5 | 124.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 182 | F | 41 | Very low | 43.2 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -95.8 | 123.8 | 161 | -62.2 | -81.5 | 0 | 0 | 0 | 107.4 | ||||
| 183 | Y | 42 | Very low | 42.7 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | trans | -116.3 | 140.8 | 167.9 | 68.2 | -77.5 | 0 | 0 | 0 | 109.1 | V185 | Y183-V185 HydrophobicContact CD2-CG2 3.5Å; Y183-V185 VanDerWaalsContact CD2-CG2 3.5Å; Y183-V185 HydrophobicContact CE2-CG2 3.08Å | ||
| 184 | W | 41.9 | Very low | 42 | Very low | 221 Ų | 221 | 141.5 Ų | 141.5 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | trans | -88 | 116.1 | 173.9 | -62.9 | 96.8 | 0 | 0 | 0 | 108.8 | V186 | W184-V186 PolarHBondContact O-N 3.16Š| ||
| 185 | V | 44.3 | Very low | 41.6 | Very low | 98 Ų | 98 | 141 Ų | 141 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -89 | 99.2 | 168.3 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | Y183 R187 | Y183-V185 HydrophobicContact CD2-CG2 3.5Å; Y183-V185 VanDerWaalsContact CD2-CG2 3.5Å; Y183-V185 HydrophobicContact CE2-CG2 3.08Å; V185-R187 HydrophobicContact CG1-CG 4.13Å; V185-R187 PolarHBondContact O-N 3.01Å | ||
| 186 | V | 46.2 | Very low | 40.9 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -79.5 | 98.3 | 165.4 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | W184 G188 | W184-V186 PolarHBondContact O-N 3.16Å; V186-G188 VanDerWaalsContact C-N 3.27Å; V186-G188 PolarHBondContact O-N 2.99Å | ||
| 187 | R | 43.6 | Very low | 40.5 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -72.4 | 88.5 | 165.2 | -81.4 | -169.7 | 103.1 | 139.2 | 2 | 108.4 | V185 K189 | V185-R187 HydrophobicContact CG1-CG 4.13Å; V185-R187 PolarHBondContact O-N 3.01Å; R187-K189 PolarHBondContact O-N 2.89Å | ||
| 188 | G | 36.2 | Very low | 39.8 | Very low | 61 Ų | 61 | 144 Ų | 144 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 121.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | V186 R190 | V186-G188 VanDerWaalsContact C-N 3.27Å; V186-G188 PolarHBondContact O-N 2.99Å; G188-R190 PolarHBondContact O-N 2.73Å; G188-R190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | K | 41.9 | Very low | 39.2 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 109 | 168 | -159.4 | 166.8 | -174.1 | 176 | 0 | 106.1 | R187 S191 | R187-K189 PolarHBondContact O-N 2.89Å; K189-S191 PolarHBondContact O-N 2.73Å | ||
| 190 | R | 39.6 | Very low | 38.4 | Very low | 236 Ų | 236 | 142.1 Ų | 142.1 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -57.2 | 105.5 | 168 | -93.7 | -175.8 | -166.2 | -149.4 | 1.7 | 106.8 | G188 S192 | G188-R190 PolarHBondContact O-N 2.73Å; G188-R190 VanDerWaalsContact O-N 3.08Å; R190-S192 PolarHBondContact O-N 3.02Å | ||
| 191 | S | 38.6 | Very low | 37.9 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -56.8 | 120.5 | 153.5 | 39.3 | 0 | 0 | 0 | 0 | 106.6 | K189 L193 | K189-S191 PolarHBondContact O-N 2.73Å; S191-L193 PolarHBondContact O-N 2.87Å | ||
| 192 | S | 39.8 | Very low | 37.7 | Very low | 124 Ų | 124 | 158 Ų | 158 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -50.2 | 106.6 | 175.7 | -68.3 | 0 | 0 | 0 | 0 | 109.5 | R190 | R190-S192 PolarHBondContact O-N 3.02Š| ||
| 193 | L | 35.5 | Very low | 37.1 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -106.9 | 125 | 162.8 | -79.3 | 169.3 | 0 | 0 | 0 | 107.8 | S191 | S191-L193 PolarHBondContact O-N 2.87Š| ||
| 194 | T | 34.1 | Very low | 36.4 | Very low | 132 Ų | 132 | 156 Ų | 156 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -40.3 | 136.9 | 178.1 | -46.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 195 | T | 37.6 | Very low | 35.8 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -36.8 | 124.6 | 168.1 | -55.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 196 | L | 31.6 | Very low | 35.2 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -147.4 | 150 | 143.8 | -82.9 | -177.5 | 0 | 0 | 0 | 110.1 | ||||
| 197 | P | 34.4 | Very low | 34.4 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 148.4 | -149.3 | 34.2 | -34.2 | 0 | 0 | 0 | 115.2 | ||||
| 198 | S | 33.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 7.5 | 119.9 | 145.6 | -175 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 199 | M | 30.6 | Very low | 33.6 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -151.1 | 111.6 | 141.6 | -109.5 | -177 | 162.2 | 0 | 0 | 112.6 | ||||
| 200 | S | 31.2 | Very low | 33.5 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 29.2 | 124.1 | 148.8 | -155 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 201 | R | 35.3 | Very low | 33.2 | Very low | 241 Ų | 241 | 142.3 Ų | 142.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -57.3 | 134.6 | 159.1 | -70 | 176.8 | 175.5 | -135.6 | -0.9 | 112.5 | ||||
| 202 | R | 31.8 | Very low | 33.5 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -153.9 | 121.5 | 138.8 | -65.3 | -165.7 | -167.1 | -153.1 | 2.8 | 104.8 | ||||
| 203 | G | 29 | Very low | 33.1 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | 82.3 | 83.1 | 55.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 204 | Y | 27.6 | Very low | 33 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -128.5 | 114 | 170.5 | -91.9 | -86.9 | 0 | 0 | 0 | 109.2 | ||||
| 205 | S | 29 | Very low | 32.9 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | -119.1 | 140.6 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 206 | E | 31.9 | Very low | 32.6 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 71% | 0.71 | 82% | 0.817 | S | S | * | * | trans | 59.9 | 158.2 | 154.2 | -76.8 | -179.9 | 121.2 | 0 | 0 | 118.1 | ||||
| 207 | Q | 30.2 | Very low | 32.8 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | cis | -167.8 | 148.5 | -20 | -119.6 | 168.3 | 11.5 | 0 | 0 | 104 | ||||
| 208 | L | 31.6 | Very low | 32.9 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | 24.8 | 126.8 | 147.1 | -60.7 | 167.3 | 0 | 0 | 0 | 121.3 | ||||
| 209 | G | 30.1 | Very low | 33.4 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -174.5 | 134.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 210 | P | 39.3 | Very low | 34.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -91.9 | 160.7 | -168.6 | 36.2 | -33.9 | 0 | 0 | 0 | 115.1 | ||||
| 211 | S | 34.9 | Very low | 34.2 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -8.9 | 168.6 | 159.4 | -114.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 212 | P | 44.7 | Very low | 34.2 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | cis | -140.7 | 179.6 | 6.7 | 36.7 | -15.3 | 0 | 0 | 0 | 115.3 | ||||
| 213 | G | 30.3 | Very low | 34.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 155.4 | 114.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 214 | L | 33.5 | Very low | 34.9 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | -18.4 | 138.6 | 170.5 | -79 | 73.1 | 0 | 0 | 0 | 118.8 | ||||
| 215 | G | 31.8 | Very low | 35.3 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 173.3 | 104.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 216 | A | 32.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 139.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 217 | S | 34.8 | Very low | 35.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -174.7 | 121.8 | 137.1 | -164 | 0 | 0 | 0 | 0 | 110 | ||||
| 218 | L | 37.4 | Very low | 36 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 134.7 | 169.1 | -71.4 | 161.1 | 0 | 0 | 0 | 109.4 | ||
| 219 | P | 43.5 | Very low | 36.1 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 148.7 | 158.5 | 32.9 | -25.9 | 0 | 0 | 0 | 111.8 | ||
| 220 | P | 47.4 | Very low | 36.6 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 155.2 | -164.5 | 31.9 | -35.9 | 0 | 0 | 0 | 114.8 | ||
| 221 | C | 32.3 | Very low | 36.5 | Very low | 124 Ų | 124 | 125 Ų | 125 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 125.9 | 171.4 | -50.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 222 | L | 35.7 | Very low | 36.6 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 116.3 | 166 | -83.7 | 162.7 | 0 | 0 | 0 | 109.3 | ||
| 223 | T | 38.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 142.4 | 179.1 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 224 | S | 35.5 | Very low | 36.4 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 152 | 167 | -50.3 | 0 | 0 | 0 | 0 | 112.6 | T226 | S224-T226 PolarHBondContact O-N 2.93Š|
| 225 | P | 37.4 | Very low | 36.5 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 117.1 | 171.9 | 28.3 | -31.1 | 0 | 0 | 0 | 111 | ||
| 226 | T | 33.9 | Very low | 36.8 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 125.5 | 167.1 | -64.3 | 0 | 0 | 0 | 0 | 109.7 | S224 E228 | S224-T226 PolarHBondContact O-N 2.93Å; T226-E228 PolarHBondContact O-N 2.95Å |
| 227 | V | 38 | Very low | 37 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -78.8 | 110.9 | 167.4 | 173.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 228 | E | 32.8 | Very low | 37 | Very low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -82.1 | 114.5 | 173.5 | -168 | -177.4 | 139.8 | 0 | 0 | 109 | T226 | T226-E228 PolarHBondContact O-N 2.95Š| ||
| 229 | A | 34.6 | Very low | 37 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -105.8 | 109.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 230 | T | 39.9 | Very low | 36.7 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 127.2 | 175.9 | -32.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 231 | P | 37 | Very low | 36.1 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -84.9 | 124.7 | 168.8 | 30.1 | -28.6 | 0 | 0 | 0 | 110.7 | A233 | P231-A233 PolarHBondContact O-N 3.03Š| ||
| 232 | L | 37.4 | Very low | 36.6 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -74.4 | 113.4 | 169.2 | -169 | 76.9 | 0 | 0 | 0 | 108.6 | ||||
| 233 | A | 37.2 | Very low | 36.9 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -77.8 | 131.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P231 | P231-A233 PolarHBondContact O-N 3.03Š| ||
| 234 | D | 33.6 | Very low | 37.2 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -124.7 | 120.6 | 163 | -145 | -6.3 | 0 | 0 | 0 | 109.1 | ||||
| 235 | S | 34.9 | Very low | 37.5 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | -108.5 | 111.2 | -170.4 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 236 | R | 38.4 | Very low | 37.9 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 95% | 0.947 | 86% | 0.859 | S | S | * | * | trans | -139.6 | 112.2 | 155.7 | -79.3 | -166.1 | 175.3 | 175.3 | -0.9 | 112.7 | ||||
| 237 | T | 37.6 | Very low | 38.1 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 92% | 0.92 | 86% | 0.861 | S | S | * | * | trans | -58.4 | 144.5 | 169.1 | -40.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 238 | G | 34.4 | Very low | 38.1 | Very low | 78 Ų | 78 | 152.2 Ų | 152.2 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | 178.4 | 63.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 239 | A | 36.9 | Very low | 38.4 | Very low | 87 Ų | 87 | 151.3 Ų | 151.3 | 72% | 0.719 | 87% | 0.867 | S | S | * | * | trans | -14.9 | 146.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 240 | R | 36.8 | Very low | 38.7 | Very low | 252 Ų | 252 | 154.9 Ų | 154.9 | 95% | 0.951 | 88% | 0.875 | S | S | * | * | trans | 79.6 | 126.4 | 138.4 | -79.8 | 176.7 | -167.4 | -154.6 | 2.9 | 120.9 | ||||
| 241 | G | 36.2 | Very low | 38.6 | Very low | 76 Ų | 76 | 157.3 Ų | 157.3 | 78% | 0.784 | 88% | 0.884 | S | S | * | * | trans | 156.4 | 77.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 242 | L | 42.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 90% | 0.895 | 89% | 0.892 | S | S | * | * | trans | -65.2 | 129 | 155.2 | -92.8 | 97.5 | 0 | 0 | 0 | 109.2 | ||||
| 243 | R | 41.6 | Very low | 38.8 | Very low | 250 Ų | 250 | 158.8 Ų | 158.8 | 94% | 0.943 | 89% | 0.891 | S | S | * | * | trans | -145.8 | 119.7 | 148.7 | -76.1 | -163.3 | 173.5 | -131 | -1.6 | 110.8 | ||||
| 244 | T | 44.6 | Very low | 38.9 | Very low | 131 Ų | 131 | 163.8 Ų | 163.8 | 80% | 0.804 | 90% | 0.899 | S | S | * | * | trans | -94 | 151.5 | 159.3 | 36.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 245 | R | 42.8 | Very low | 39.3 | Very low | 250 Ų | 250 | 164.1 Ų | 164.1 | 94% | 0.943 | 90% | 0.903 | S | S | * | * | trans | 137.2 | 139.1 | 162.7 | -87 | -176.2 | 172.3 | -150.7 | -1.6 | 108.2 | ||||
| 246 | A | 45.3 | Very low | 39.7 | Very low | 170 Ų | 170 | 169.6 Ų | 169.6 | 100% | 1.405 | 92% | 0.92 | S | S | * | * | cis | -152 | 0 | -0.7 | 0 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 246 of 246 residues in 98.4 ms
(Link to these results)