| 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 | 49.2 | Very low | 80.8 | Confident | 237 Ų | 237 | 105.8 Ų | 105.8 | 100% | 1.167 | 58% | 0.581 | S | S | * | * | 0 | 122.2 | 0 | -83 | -176 | -101.2 | 0 | 0 | 107.7 | S3 | M1-S3 PolarHBondContact O-N 2.75Š| |||
| 2 | A | 56.1 | Low | 82.2 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 76% | 0.76 | 55% | 0.553 | S | S | * | * | trans | -84.5 | 84.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y4 | A2-Y4 HydrophobicContact CB-CD1 4.26Å; A2-Y4 HydrophobicContact CB-CE1 4.34Å | ||
| 3 | S | 68.8 | Low | 83.5 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 73% | 0.734 | 52% | 0.524 | S | S | * | . | trans | -104.6 | 49.7 | 168.3 | 63.8 | 0 | 0 | 0 | 0 | 109.4 | M1 | M1-S3 PolarHBondContact O-N 2.75Š| ||
| 4 | Y | 78 | Confident | 84.5 | Confident | 148 Ų | 148 | 95.5 Ų | 95.5 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | trans | -115.4 | 142.3 | 173.5 | 82.4 | -87.6 | 0 | 0 | 0 | 109.6 | A2 H228 | A2-Y4 HydrophobicContact CB-CD1 4.26Å; A2-Y4 HydrophobicContact CB-CE1 4.34Å; Y4-H228 VanDerWaalsContact CB-CE1 3.46Å; Y4-H228 WeakPolarHBondContact CB-CE1 3.16Å; Y4-H228 VanDerWaalsContact CB-NE2 3.28Å; Y4-H228 WeakPolarHBondContact CB-NE2 3.33Å | ||
| 5 | S | 79.1 | Confident | 85.5 | Confident | 89 Ų | 89 | 93.1 Ų | 93.1 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | trans | -116.6 | 131.4 | 169.7 | 58 | 0 | 0 | 0 | 0 | 108.5 | Y7 | S5-Y7 PolarHBondContact O-N 3.25Å; S5-Y7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | Q | 79.7 | Confident | 86.3 | Confident | 116 Ų | 116 | 87.3 Ų | 87.3 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | trans | -63.8 | 111.6 | 168.4 | -176.9 | 63.6 | 28.5 | 0 | 0 | 108.6 | L8 | Q6-L8 WeakPolarHBondContact CG-O 3.16Å; Q6-L8 PolarHBondContact NE2-O 3.5Å | ||
| 7 | Y | 90.6 | Very high | 87 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 27% | 0.271 | 45% | 0.454 | S | S | . | . | trans | -101.7 | -10 | -177.2 | 69.1 | -86.7 | 0 | 0 | 0 | 113.5 | S5 Q186 Q187 H228 | S5-Y7 PolarHBondContact O-N 3.25Å; S5-Y7 VanDerWaalsContact O-N 3.1Å; Y7-Q186 HydrophobicContact CE2-CB 4.2Å; Y7-Q186 PolarHBondContact OH-OE1 3.03Å; Y7-Q187 HydrophobicContact CD2-CG 3.65Å; Y7-Q187 HydrophobicContact CE2-CG 3.93Å; Y7-H228 WeakPolarHBondContact CE1-O 3.42Å | ||
| 8 | L | 96.2 | Very high | 87.7 | Confident | 7 Ų | 7 | 85.6 Ų | 85.6 | 4% | 0.037 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -107.8 | 133 | 175.2 | -57.4 | 175.7 | 0 | 0 | 0 | 109.7 | Q6 K12 Q13 L16 Q186 F230 | Q6-L8 WeakPolarHBondContact CG-O 3.16Å; Q6-L8 PolarHBondContact NE2-O 3.5Å; L8-K12 HydrophobicContact CB-CB 4.44Å; L8-K12 HydrophobicContact CB-CG 4.38Å; L8-K12 HydrophobicContact CD2-CG 3.75Å; L8-Q13 HydrophobicContact CB-CG 3.8Å; L8-Q13 HydrophobicContact CD1-CG 4.26Å; L8-L16 HydrophobicContact CD1-CD1 3.88Å; L8-Q186 HydrophobicContact CD1-CB 4.03Å; L8-Q186 HydrophobicContact CD2-CB 4.03Å; L8-Q186 WeakPolarHBondContact CD2-O 3.47Å; L8-F230 HydrophobicContact CD1-CB 3.64Å; L8-F230 HydrophobicContact CD1-CD1 4.31Å; L8-F230 HydrophobicContact CD1-CG 4.21Å |
| 9 | T | 96.5 | Very high | 88.3 | Confident | 75 Ų | 75 | 81.8 Ų | 81.8 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | trans | -69 | 158.2 | 169.4 | 79.2 | 0 | 0 | 0 | 0 | 110.4 | E11 K12 Q13 | T9-E11 WeakPolarHBondContact CB-OE2 3.43Å; T9-E11 PolarHBondContact O-N 2.84Å; T9-E11 PolarHBondContact OG1-N 2.94Å; T9-E11 PolarHBondContact OG1-OE2 3.06Å; T9-K12 PolarHBondContact O-N 3.24Å; T9-K12 VanDerWaalsContact O-N 3.1Å; T9-K12 PolarHBondContact OG1-N 3.1Å; T9-Q13 PolarHBondContact O-N 2.94Å | ||
| 10 | P | 96.9 | Very high | 88.8 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.2 | -37.2 | 174.7 | -27.4 | 36.6 | 0 | 0 | 0 | 113.3 | Q13 E14 | P10-Q13 PolarHBondContact O-N 2.68Å; P10-E14 WeakPolarHBondContact O-CB 3.47Å; P10-E14 PolarHBondContact O-N 2.79Å |
| 11 | E | 97.9 | Very high | 89.3 | Confident | 135 Ų | 135 | 79.6 Ų | 79.6 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 178.1 | -55.9 | 70.4 | -149.5 | 0 | 0 | 111 | T9 E14 E15 | T9-E11 WeakPolarHBondContact CB-OE2 3.43Å; T9-E11 PolarHBondContact O-N 2.84Å; T9-E11 PolarHBondContact OG1-N 2.94Å; T9-E11 PolarHBondContact OG1-OE2 3.06Å; E11-E14 PolarHBondContact O-N 3.1Å; E11-E15 WeakPolarHBondContact O-CB 3.27Å; E11-E15 PolarHBondContact O-N 3.36Å |
| 12 | K | 97.9 | Very high | 91.6 | Very high | 55 Ų | 55 | 70.6 Ų | 70.6 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.4 | -174.4 | 62.7 | 63 | -168.4 | 0 | 111.4 | L8 T9 E15 L16 | L8-K12 HydrophobicContact CB-CB 4.44Å; L8-K12 HydrophobicContact CB-CG 4.38Å; L8-K12 HydrophobicContact CD2-CG 3.75Å; T9-K12 PolarHBondContact O-N 3.24Å; T9-K12 VanDerWaalsContact O-N 3.1Å; T9-K12 PolarHBondContact OG1-N 3.1Å; K12-E15 WeakPolarHBondContact CD-OE2 3.25Å; K12-E15 IonicContact NZ-OE2 2.79Å; K12-E15 PolarHBondContact NZ-OE2 3.35Å; K12-E15 PolarHBondContact O-N 3.47Å; K12-L16 HydrophobicContact CG-CD1 4.32Å; K12-L16 VanDerWaalsContact O-CG 3.27Å; K12-L16 WeakPolarHBondContact O-CG 3.44Å; K12-L16 PolarHBondContact O-N 2.9Å |
| 13 | Q | 98.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 66.2 Ų | 66.2 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.9 | -72.5 | -175.9 | -40.5 | 0 | 0 | 111.8 | L8 T9 P10 L16 R17 F230 | L8-Q13 HydrophobicContact CB-CG 3.8Å; L8-Q13 HydrophobicContact CD1-CG 4.26Å; T9-Q13 PolarHBondContact O-N 2.94Å; P10-Q13 PolarHBondContact O-N 2.68Å; Q13-L16 PolarHBondContact O-N 3.38Å; Q13-R17 VanDerWaalsContact O-CB 3.24Å; Q13-R17 WeakPolarHBondContact O-CB 3.21Å; Q13-R17 PolarHBondContact O-N 3.5Å; Q13-F230 HydrophobicContact CB-CD1 4.29Å; Q13-F230 HydrophobicContact CB-CE1 3.75Å; Q13-F230 HydrophobicContact CB-CE2 4.28Å; Q13-F230 HydrophobicContact CB-CZ 3.72Å; Q13-F230 HydrophobicContact CG-CD1 4.1Å; Q13-F230 HydrophobicContact CG-CD2 4.2Å; Q13-F230 HydrophobicContact CG-CE1 4.03Å; Q13-F230 HydrophobicContact CG-CE2 4.13Å; Q13-F230 HydrophobicContact CG-CG 4.17Å; Q13-F230 HydrophobicContact CG-CZ 4.02Å; Q13-F230 WeakPolarHBondContact O-CE1 3.37Å |
| 14 | E | 98.5 | Very high | 95.1 | Very high | 80 Ų | 80 | 61.9 Ų | 61.9 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 177.3 | -178.4 | 59.8 | -165.3 | 0 | 0 | 111.9 | P10 E11 L16 R17 N18 | P10-E14 WeakPolarHBondContact O-CB 3.47Å; P10-E14 PolarHBondContact O-N 2.79Å; E11-E14 PolarHBondContact O-N 3.1Å; E14-L16 PolarHBondContact O-N 2.95Å; E14-R17 PolarHBondContact O-N 3.21Å; E14-R17 IonicContact OE2-CZ 2.68Å; E14-R17 IonicContact OE2-NH1 3.66Å; E14-R17 PolarHBondContact OE2-NH1 3.48Å; E14-N18 WeakPolarHBondContact O-CB 3.24Å; E14-N18 VanDerWaalsContact O-CG 3.25Å; E14-N18 PolarHBondContact O-N 2.93Å; E14-N18 PolarHBondContact O-ND2 3.44Å; E14-N18 PolarHBondContact OE1-ND2 2.58Å; E14-N18 PolarHBondContact OE1-OD1 3.32Å |
| 15 | E | 98.6 | Very high | 96 | Very high | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.4 | -54.5 | 173.3 | -178.7 | -173.6 | -171.4 | 0 | 0 | 111.1 | E11 K12 R17 N18 I19 K146 | E11-E15 WeakPolarHBondContact O-CB 3.27Å; E11-E15 PolarHBondContact O-N 3.36Å; K12-E15 WeakPolarHBondContact CD-OE2 3.25Å; K12-E15 IonicContact NZ-OE2 2.79Å; K12-E15 PolarHBondContact NZ-OE2 3.35Å; K12-E15 PolarHBondContact O-N 3.47Å; E15-R17 PolarHBondContact O-N 3.09Å; E15-N18 PolarHBondContact O-N 2.78Å; E15-I19 HydrophobicContact CG-CD1 3.98Å; E15-I19 WeakPolarHBondContact O-CG1 3.29Å; E15-I19 PolarHBondContact O-N 3.45Å; E15-K146 VanDerWaalsContact OE1-CE 3.25Å; E15-K146 WeakPolarHBondContact OE1-CE 3.36Å; E15-K146 IonicContact OE1-NZ 3.43Å; E15-K146 PolarHBondContact OE1-NZ 3.27Å |
| 16 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | -178.9 | -68.1 | 167.8 | 0 | 0 | 0 | 112 | L8 K12 Q13 E14 N18 I19 A20 Q186 L190 V191 | L8-L16 HydrophobicContact CD1-CD1 3.88Å; K12-L16 HydrophobicContact CG-CD1 4.32Å; K12-L16 VanDerWaalsContact O-CG 3.27Å; K12-L16 WeakPolarHBondContact O-CG 3.44Å; K12-L16 PolarHBondContact O-N 2.9Å; Q13-L16 PolarHBondContact O-N 3.38Å; E14-L16 PolarHBondContact O-N 2.95Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-N18 PolarHBondContact O-N 3.26Å; L16-I19 PolarHBondContact O-N 3.18Å; L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.99Å; L16-Q186 HydrophobicContact CD1-CB 3.85Å; L16-Q186 HydrophobicContact CD1-CG 3.83Å; L16-L190 VanDerWaalsContact CD2-C 3.41Å; L16-L190 WeakPolarHBondContact CD2-O 3.44Å; L16-V191 HydrophobicContact CB-CG2 4.24Å; L16-V191 HydrophobicContact CD2-CG2 3.89Å; L16-V191 WeakPolarHBondContact O-CG2 3.27Å |
| 17 | R | 98.7 | Very high | 97.8 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 25% | 0.253 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.6 | -176.2 | -171.9 | -62.4 | 135.8 | -0.6 | 111.5 | Q13 E14 E15 A20 K21 E232 | Q13-R17 VanDerWaalsContact O-CB 3.24Å; Q13-R17 WeakPolarHBondContact O-CB 3.21Å; Q13-R17 PolarHBondContact O-N 3.5Å; E14-R17 PolarHBondContact O-N 3.21Å; E14-R17 IonicContact OE2-CZ 2.68Å; E14-R17 IonicContact OE2-NH1 3.66Å; E14-R17 PolarHBondContact OE2-NH1 3.48Å; E15-R17 PolarHBondContact O-N 3.09Å; R17-A20 PolarHBondContact O-N 3.31Å; R17-K21 HydrophobicContact CG-CD 4.37Å; R17-K21 WeakPolarHBondContact O-CB 3.45Å; R17-K21 VanDerWaalsContact O-CG 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.37Å; R17-K21 PolarHBondContact O-N 3.23Å; R17-E232 HydrophobicContact CG-CB 4.49Å |
| 18 | N | 98.7 | Very high | 98.1 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | -179.3 | -73.3 | -25.5 | 0 | 0 | 0 | 112.1 | E14 E15 L16 A22 | E14-N18 WeakPolarHBondContact O-CB 3.24Å; E14-N18 VanDerWaalsContact O-CG 3.25Å; E14-N18 PolarHBondContact O-N 2.93Å; E14-N18 PolarHBondContact O-ND2 3.44Å; E14-N18 PolarHBondContact OE1-ND2 2.58Å; E14-N18 PolarHBondContact OE1-OD1 3.32Å; E15-N18 PolarHBondContact O-N 2.78Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-N18 PolarHBondContact O-N 3.26Å; N18-A22 VanDerWaalsContact O-CB 3.31Å; N18-A22 WeakPolarHBondContact O-CB 3.5Å; N18-A22 PolarHBondContact O-N 3.31Å |
| 19 | I | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 173.6 | -66.7 | 165.1 | 0 | 0 | 0 | 110.3 | E15 L16 K21 A22 I23 L105 Q151 V191 | E15-I19 HydrophobicContact CG-CD1 3.98Å; E15-I19 WeakPolarHBondContact O-CG1 3.29Å; E15-I19 PolarHBondContact O-N 3.45Å; L16-I19 PolarHBondContact O-N 3.18Å; I19-K21 PolarHBondContact O-N 3.46Å; I19-A22 PolarHBondContact O-N 3.08Å; I19-A22 VanDerWaalsContact O-N 3.14Å; I19-I23 HydrophobicContact CG2-CD1 3.94Å; I19-I23 HydrophobicContact CG2-CG1 4.44Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.41Å; I19-L105 HydrophobicContact CG2-CD1 4.48Å; I19-Q151 HydrophobicContact CD1-CB 4.26Å; I19-Q151 HydrophobicContact CG2-CB 3.98Å; I19-V191 HydrophobicContact CB-CG2 3.66Å; I19-V191 HydrophobicContact CG2-CB 4.11Å; I19-V191 HydrophobicContact CG2-CG2 3.55Å |
| 20 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L16 R17 A22 I23 V24 V191 L235 P273 | L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.99Å; R17-A20 PolarHBondContact O-N 3.31Å; A20-A22 PolarHBondContact O-N 3.41Å; A20-I23 PolarHBondContact O-N 2.84Å; A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.15Å; A20-V191 HydrophobicContact CB-CG1 4.01Å; A20-V191 HydrophobicContact CB-CG2 4.15Å; A20-L235 HydrophobicContact CB-CD2 4.46Å; A20-L235 HydrophobicContact CB-CG 4.48Å; A20-P273 HydrophobicContact CB-CB 4.3Å; A20-P273 HydrophobicContact CB-CG 3.85Å |
| 21 | K | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 43.6 Ų | 43.6 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 174.2 | -75.1 | 176.6 | 178.7 | 178.7 | 0 | 112.8 | R17 I19 I23 V24 A25 | R17-K21 HydrophobicContact CG-CD 4.37Å; R17-K21 WeakPolarHBondContact O-CB 3.45Å; R17-K21 VanDerWaalsContact O-CG 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.37Å; R17-K21 PolarHBondContact O-N 3.23Å; I19-K21 PolarHBondContact O-N 3.46Å; K21-I23 VanDerWaalsContact C-N 3.34Å; K21-I23 PolarHBondContact O-N 2.83Å; K21-V24 CarbonylContact O-C 3.53Å; K21-V24 PolarHBondContact O-N 3.33Å; K21-A25 PolarHBondContact O-N 3.46Å |
| 22 | A | 98.6 | Very high | 98.5 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66 | -35.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | N18 I19 A20 V24 S76 L105 | N18-A22 VanDerWaalsContact O-CB 3.31Å; N18-A22 WeakPolarHBondContact O-CB 3.5Å; N18-A22 PolarHBondContact O-N 3.31Å; I19-A22 PolarHBondContact O-N 3.08Å; I19-A22 VanDerWaalsContact O-N 3.14Å; A20-A22 PolarHBondContact O-N 3.41Å; A22-V24 VanDerWaalsContact C-N 3.33Å; A22-V24 PolarHBondContact O-N 3.36Å; A22-S76 WeakPolarHBondContact O-CB 3.35Å; A22-L105 HydrophobicContact CB-CD1 3.82Å |
| 23 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 173.8 | -66 | 167.5 | 0 | 0 | 0 | 111 | I19 A20 K21 I30 S76 L105 F152 V191 L235 | I19-I23 HydrophobicContact CG2-CD1 3.94Å; I19-I23 HydrophobicContact CG2-CG1 4.44Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.41Å; A20-I23 PolarHBondContact O-N 2.84Å; K21-I23 VanDerWaalsContact C-N 3.34Å; K21-I23 PolarHBondContact O-N 2.83Å; I23-I30 HydrophobicContact CG2-CD1 3.38Å; I23-I30 HydrophobicContact CG2-CG1 3.77Å; I23-S76 VanDerWaalsContact O-CB 3.23Å; I23-S76 WeakPolarHBondContact O-CB 3.46Å; I23-S76 PolarHBondContact O-OG 3.26Å; I23-L105 HydrophobicContact CB-CD1 4.48Å; I23-L105 HydrophobicContact CD1-CD1 4.48Å; I23-L105 HydrophobicContact CG1-CD1 3.48Å; I23-L105 VanDerWaalsContact CG1-CD1 3.48Å; I23-F152 HydrophobicContact CD1-CB 3.79Å; I23-F152 HydrophobicContact CD1-CD1 3.61Å; I23-F152 HydrophobicContact CD1-CD2 4.21Å; I23-F152 HydrophobicContact CD1-CE1 4.16Å; I23-F152 HydrophobicContact CD1-CG 3.64Å; I23-F152 HydrophobicContact CG1-CD1 4.28Å; I23-F152 HydrophobicContact CG1-CE1 4.43Å; I23-V191 HydrophobicContact CD1-CG1 4.47Å; I23-L235 HydrophobicContact CB-CD1 3.81Å; I23-L235 HydrophobicContact CD1-CD1 3.81Å; I23-L235 HydrophobicContact CG1-CD1 4.42Å; I23-L235 HydrophobicContact CG2-CD1 3.46Å; I23-L235 VanDerWaalsContact CG2-CD1 3.46Å |
| 24 | V | 98.6 | Very high | 98.4 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 26.3 | -175.5 | -56.7 | 0 | 0 | 0 | 0 | 113.7 | A20 K21 A22 L235 P273 V276 A308 T310 | A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.15Å; K21-V24 CarbonylContact O-C 3.53Å; K21-V24 PolarHBondContact O-N 3.33Å; A22-V24 VanDerWaalsContact C-N 3.33Å; A22-V24 PolarHBondContact O-N 3.36Å; V24-L235 HydrophobicContact CG1-CD1 4.1Å; V24-L235 HydrophobicContact CG1-CD2 3.5Å; V24-L235 HydrophobicContact CG1-CG 4.47Å; V24-P273 HydrophobicContact CG2-CB 4.35Å; V24-V276 HydrophobicContact CG1-CG1 3.94Å; V24-A308 HydrophobicContact CB-CB 3.64Å; V24-A308 HydrophobicContact CG2-CB 3.68Å; V24-T310 HydrophobicContact CG1-CG2 4.24Å |
| 25 | A | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | trans | -55.1 | 145 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K21 G27 K28 | K21-A25 PolarHBondContact O-N 3.46Å; A25-G27 PolarHBondContact O-N 3.07Å; A25-K28 HydrophobicContact CB-CD 4.13Å; A25-K28 HydrophobicContact CB-CG 4.46Å; A25-K28 WeakPolarHBondContact O-CB 3.28Å; A25-K28 PolarHBondContact O-N 3.12Å | ||
| 26 | P | 97.4 | Very high | 97.9 | Very high | 125 Ų | 125 | 27.5 Ų | 27.5 | 81% | 0.812 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 133.1 | -174.4 | -28.4 | 35.2 | 0 | 0 | 0 | 113.5 | K28 | P26-K28 PolarHBondContact O-N 3.08Š|
| 27 | G | 97.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 0.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A25 S347 | A25-G27 PolarHBondContact O-N 3.07Å; G27-S347 VanDerWaalsContact O-CA 3.31Å; G27-S347 WeakPolarHBondContact O-CA 3.46Å; G27-S347 WeakPolarHBondContact O-CB 3.43Å; G27-S347 PolarHBondContact O-OG 3.47Å |
| 28 | K | 98.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 28.9 Ų | 28.9 | 23% | 0.226 | 18% | 0.178 | C | C | . | . | trans | -109.8 | 146.9 | 179.6 | -56.1 | -168.7 | -174.7 | -170.7 | 0 | 112 | A25 P26 K72 T74 T310 | A25-K28 HydrophobicContact CB-CD 4.13Å; A25-K28 HydrophobicContact CB-CG 4.46Å; A25-K28 WeakPolarHBondContact O-CB 3.28Å; A25-K28 PolarHBondContact O-N 3.12Å; P26-K28 PolarHBondContact O-N 3.08Å; K28-K72 WeakPolarHBondContact CE-O 3.3Å; K28-K72 PolarHBondContact NZ-O 3.34Å; K28-T74 WeakPolarHBondContact CA-O 3.49Å; K28-T310 WeakPolarHBondContact O-CB 3.12Å; K28-T310 PolarHBondContact O-OG1 3.34Å | ||
| 29 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | -165.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T74 I75 S76 T310 F311 | G29-T74 PolarHBondContact N-O 3.13Å; G29-I75 CarbonylContact O-C 3.45Å; G29-I75 WeakPolarHBondContact O-CA 3.44Å; G29-S76 PolarHBondContact O-N 3.23Å; G29-S76 PolarHBondContact O-OG 3.03Å; G29-T310 WeakPolarHBondContact CA-OG1 3.38Å; G29-F311 CarbonylContact C-O 3.53Å; G29-F311 VanDerWaalsContact CA-CZ 3.5Å; G29-F311 WeakPolarHBondContact CA-O 3.37Å |
| 30 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.6 | -175.8 | -66 | 164.5 | 0 | 0 | 0 | 110.5 | I23 G77 I79 F152 I193 V276 F311 S312 F313 | I23-I30 HydrophobicContact CG2-CD1 3.38Å; I23-I30 HydrophobicContact CG2-CG1 3.77Å; I30-G77 VanDerWaalsContact CA-O 3.31Å; I30-G77 WeakPolarHBondContact CA-O 3.47Å; I30-I79 HydrophobicContact CG2-CD1 3.72Å; I30-I79 HydrophobicContact CG2-CG1 3.7Å; I30-F152 HydrophobicContact CD1-CE2 4.24Å; I30-I193 HydrophobicContact CD1-CD1 3.64Å; I30-V276 HydrophobicContact CD1-CB 4.32Å; I30-V276 HydrophobicContact CD1-CG1 3.99Å; I30-V276 HydrophobicContact CD1-CG2 4.39Å; I30-F311 PolarHBondContact N-O 2.8Å; I30-S312 WeakPolarHBondContact CG2-OG 3.16Å; I30-S312 WeakPolarHBondContact O-CA 3.26Å; I30-F313 PolarHBondContact O-N 3.33Å; I30-F313 VanDerWaalsContact O-N 3.08Å |
| 31 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.8 | 161.7 | 173.5 | 61.6 | 0 | 0 | 0 | 109.3 | A33 F64 W71 G77 V78 I79 L317 Q318 F339 | L31-A33 HydrophobicContact CD2-CB 4.33Å; L31-A33 HydrophobicContact CG-CB 4.15Å; L31-A33 PolarHBondContact O-N 3.45Å; L31-F64 HydrophobicContact CD2-CD1 4.06Å; L31-F64 HydrophobicContact CD2-CE1 3.7Å; L31-W71 HydrophobicContact CD2-CH2 3.65Å; L31-W71 HydrophobicContact CD2-CZ2 4.17Å; L31-G77 PolarHBondContact N-O 3.36Å; L31-V78 HydrophobicContact CB-CG1 4.42Å; L31-V78 HydrophobicContact CB-CG2 4.3Å; L31-V78 HydrophobicContact CD2-CG1 4.37Å; L31-V78 HydrophobicContact CG-CG1 4.39Å; L31-V78 CarbonylContact O-C 3.51Å; L31-V78 VanDerWaalsContact O-CA 3.3Å; L31-V78 WeakPolarHBondContact O-CA 3.43Å; L31-I79 PolarHBondContact O-N 3.09Å; L31-L317 HydrophobicContact CB-CD2 4.18Å; L31-L317 HydrophobicContact CD1-CB 4.46Å; L31-L317 HydrophobicContact CD1-CD2 3.78Å; L31-L317 HydrophobicContact CD1-CG 4.07Å; L31-Q318 HydrophobicContact CD1-CG 3.81Å; L31-F339 HydrophobicContact CD1-CE2 4.1Å; L31-F339 HydrophobicContact CD2-CE2 4.04Å; L31-F339 HydrophobicContact CD2-CZ 4.07Å |
| 32 | A | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 91.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F313 G314 Q318 | A32-F313 PolarHBondContact N-O 3.45Å; A32-G314 WeakPolarHBondContact O-CA 3.44Å; A32-Q318 PolarHBondContact O-NE2 2.92Å |
| 33 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L31 R60 F64 V78 I79 | L31-A33 HydrophobicContact CD2-CB 4.33Å; L31-A33 HydrophobicContact CG-CB 4.15Å; L31-A33 PolarHBondContact O-N 3.45Å; A33-R60 VanDerWaalsContact CA-NH1 3.34Å; A33-R60 PolarHBondContact O-NH2 2.82Å; A33-F64 HydrophobicContact CB-CE1 3.79Å; A33-F64 HydrophobicContact CB-CZ 3.7Å; A33-V78 HydrophobicContact CB-CG1 3.94Å; A33-I79 CarbonylContact C-O 3.47Å; A33-I79 VanDerWaalsContact CA-O 3.26Å; A33-I79 WeakPolarHBondContact CA-O 2.99Å; A33-I79 PolarHBondContact N-O 3.07Å |
| 34 | D | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -112.6 | 21 | -168.7 | 67 | -31.5 | 0 | 0 | 0 | 114 | S36 I79 K109 K154 | D34-S36 PolarHBondContact O-N 3.02Å; D34-I79 HydrophobicContact CB-CB 4.3Å; D34-I79 HydrophobicContact CB-CG2 3.72Å; D34-I79 PolarHBondContact N-O 3.41Å; D34-K109 HydrophobicContact CB-CB 3.8Å; D34-K109 HydrophobicContact CB-CD 4.11Å; D34-K154 WeakPolarHBondContact OD2-CE 3.5Å; D34-K154 IonicContact OD2-NZ 2.81Å; D34-K154 PolarHBondContact OD2-NZ 2.9Å | ||
| 35 | E | 94.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | trans | -56.9 | 128.8 | 170.8 | -62.9 | 85.7 | 171.6 | 0 | 0 | 110.9 | M40 K43 R60 F81 Q318 | E35-M40 HydrophobicContact CB-CG 3.85Å; E35-M40 HydrophobicContact CB-SD 3.84Å; E35-M40 HydrophobicContact CG-SD 4.39Å; E35-K43 VanDerWaalsContact CD-NZ 3.26Å; E35-K43 HydrophobicContact CG-CD 4.35Å; E35-K43 VanDerWaalsContact OE1-CE 3.27Å; E35-K43 WeakPolarHBondContact OE1-CE 3.39Å; E35-K43 IonicContact OE1-NZ 2.65Å; E35-K43 PolarHBondContact OE1-NZ 3.29Å; E35-K43 IonicContact OE2-NZ 3.07Å; E35-R60 IonicContact OE2-CZ 3.2Å; E35-R60 IonicContact OE2-NH1 2.7Å; E35-R60 PolarHBondContact OE2-NH1 3.27Å; E35-R60 IonicContact OE2-NH2 2.76Å; E35-R60 PolarHBondContact OE2-NH2 3.26Å; E35-F81 WeakPolarHBondContact O-CB 3.42Å; E35-Q318 PolarHBondContact OE1-NE2 3.04Å | ||
| 36 | S | 92.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | trans | -61.9 | 166.6 | 170.5 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | D34 G38 S39 M40 Y374 | D34-S36 PolarHBondContact O-N 3.02Å; S36-G38 PolarHBondContact O-N 3.4Å; S36-S39 PolarHBondContact O-N 3.47Å; S36-S39 VanDerWaalsContact O-N 3.14Å; S36-S39 VanDerWaalsContact OG-CB 3.31Å; S36-S39 WeakPolarHBondContact OG-CB 3.18Å; S36-S39 PolarHBondContact OG-N 3.33Å; S36-S39 PolarHBondContact OG-OG 3.49Å; S36-M40 WeakPolarHBondContact O-CB 3.4Å; S36-M40 WeakPolarHBondContact O-CG 3.44Å; S36-M40 PolarHBondContact O-N 3.04Å; S36-Y374 PolarHBondContact OG-OXT 2.87Å | ||
| 37 | T | 94.2 | Very high | 95.6 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -55.4 | -40.2 | 172.5 | 52 | 0 | 0 | 0 | 0 | 112.3 | M40 A41 N51 F81 | T37-M40 PolarHBondContact O-N 2.97Å; T37-A41 PolarHBondContact O-N 3.49Å; T37-A41 VanDerWaalsContact O-N 3.09Å; T37-N51 PolarHBondContact O-ND2 3.14Å; T37-F81 HydrophobicContact CG2-CE1 4.18Å |
| 38 | G | 92.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S36 A41 K42 | S36-G38 PolarHBondContact O-N 3.4Å; G38-A41 VanDerWaalsContact O-CB 3.27Å; G38-A41 WeakPolarHBondContact O-CB 3.38Å; G38-A41 PolarHBondContact O-N 2.78Å; G38-K42 PolarHBondContact O-N 2.91Å |
| 39 | S | 92.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.5 | -34.8 | 175.1 | -75.9 | 0 | 0 | 0 | 0 | 112.6 | S36 A41 K42 K43 Y374 | S36-S39 PolarHBondContact O-N 3.47Å; S36-S39 VanDerWaalsContact O-N 3.14Å; S36-S39 VanDerWaalsContact OG-CB 3.31Å; S36-S39 WeakPolarHBondContact OG-CB 3.18Å; S36-S39 PolarHBondContact OG-N 3.33Å; S36-S39 PolarHBondContact OG-OG 3.49Å; S39-A41 VanDerWaalsContact C-N 3.34Å; S39-K42 PolarHBondContact O-N 2.89Å; S39-K43 PolarHBondContact O-N 3.17Å; S39-Y374 WeakPolarHBondContact OG-CA 3.45Å; S39-Y374 WeakPolarHBondContact OG-CD1 3.36Å; S39-Y374 PolarHBondContact OG-OXT 3.3Å |
| 40 | M | 95.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -35.5 | 171.9 | -78 | -58.4 | -60.9 | 0 | 0 | 112.1 | E35 S36 T37 K42 K43 L44 R56 Y59 | E35-M40 HydrophobicContact CB-CG 3.85Å; E35-M40 HydrophobicContact CB-SD 3.84Å; E35-M40 HydrophobicContact CG-SD 4.39Å; S36-M40 WeakPolarHBondContact O-CB 3.4Å; S36-M40 WeakPolarHBondContact O-CG 3.44Å; S36-M40 PolarHBondContact O-N 3.04Å; T37-M40 PolarHBondContact O-N 2.97Å; M40-K42 VanDerWaalsContact C-N 3.28Å; M40-K42 PolarHBondContact O-N 3.04Å; M40-K43 WeakPolarHBondContact O-CB 3.35Å; M40-K43 PolarHBondContact O-N 3.45Å; M40-K43 HydrophobicContact SD-CD 4.02Å; M40-L44 HydrophobicContact CE-CD1 4.23Å; M40-L44 HydrophobicContact CE-CD2 4.29Å; M40-L44 HydrophobicContact CE-CG 4.15Å; M40-L44 WeakPolarHBondContact O-CB 3.27Å; M40-L44 WeakPolarHBondContact O-CG 3.34Å; M40-L44 PolarHBondContact O-N 2.87Å; M40-R56 VanDerWaalsContact CB-CD 3.48Å; M40-R56 HydrophobicContact CB-CG 3.96Å; M40-R56 HydrophobicContact CE-CB 4.26Å; M40-R56 HydrophobicContact CE-CG 3.91Å; M40-R56 HydrophobicContact CG-CG 4.14Å; M40-Y59 HydrophobicContact CE-CD1 3.58Å; M40-Y59 HydrophobicContact CE-CE1 4.17Å; M40-Y59 HydrophobicContact CE-CG 4.46Å; M40-Y59 HydrophobicContact SD-CD1 4.36Å; M40-Y59 HydrophobicContact SD-CE1 4.48Å |
| 41 | A | 95 | Very high | 95.1 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.1 | -45.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T37 G38 S39 K43 L44 S45 N51 | T37-A41 PolarHBondContact O-N 3.49Å; T37-A41 VanDerWaalsContact O-N 3.09Å; G38-A41 VanDerWaalsContact O-CB 3.27Å; G38-A41 WeakPolarHBondContact O-CB 3.38Å; G38-A41 PolarHBondContact O-N 2.78Å; S39-A41 VanDerWaalsContact C-N 3.34Å; A41-K43 VanDerWaalsContact C-N 3.26Å; A41-K43 PolarHBondContact O-N 2.78Å; A41-L44 PolarHBondContact O-N 3.36Å; A41-S45 VanDerWaalsContact O-CB 3.26Å; A41-S45 WeakPolarHBondContact O-CB 3.5Å; A41-S45 PolarHBondContact O-N 3.3Å; A41-N51 HydrophobicContact CB-CB 4.11Å; A41-N51 WeakPolarHBondContact CB-ND2 3.45Å |
| 42 | K | 93 | Very high | 95.1 | Very high | 127 Ų | 127 | 44.3 Ų | 44.3 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.8 | -30 | 178.1 | -62.7 | 173.8 | -177.3 | 168.4 | 0 | 112.7 | G38 S39 M40 P46 A373 | G38-K42 PolarHBondContact O-N 2.91Å; S39-K42 PolarHBondContact O-N 2.89Å; M40-K42 VanDerWaalsContact C-N 3.28Å; M40-K42 PolarHBondContact O-N 3.04Å; K42-P46 VanDerWaalsContact O-CD 3.25Å; K42-P46 WeakPolarHBondContact O-CD 3.09Å; K42-A373 PolarHBondContact NZ-O 3.33Å |
| 43 | K | 92.6 | Very high | 95 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.2 | -39.8 | 175.7 | -78.4 | -170.8 | 170.9 | -167.7 | 0 | 113.2 | E35 S39 M40 A41 L322 | E35-K43 VanDerWaalsContact CD-NZ 3.26Å; E35-K43 HydrophobicContact CG-CD 4.35Å; E35-K43 VanDerWaalsContact OE1-CE 3.27Å; E35-K43 WeakPolarHBondContact OE1-CE 3.39Å; E35-K43 IonicContact OE1-NZ 2.65Å; E35-K43 PolarHBondContact OE1-NZ 3.29Å; E35-K43 IonicContact OE2-NZ 3.07Å; S39-K43 PolarHBondContact O-N 3.17Å; M40-K43 WeakPolarHBondContact O-CB 3.35Å; M40-K43 PolarHBondContact O-N 3.45Å; M40-K43 HydrophobicContact SD-CD 4.02Å; A41-K43 VanDerWaalsContact C-N 3.26Å; A41-K43 PolarHBondContact O-N 2.78Å; K43-L322 HydrophobicContact CB-CD2 3.99Å; K43-L322 HydrophobicContact CD-CD2 4.28Å; K43-L322 HydrophobicContact CG-CD2 4.28Å |
| 44 | L | 96 | Very high | 95 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -82.4 | -34.2 | -173.3 | -68.3 | 177.8 | 0 | 0 | 0 | 112.5 | M40 A41 L47 G48 L49 N55 R56 | M40-L44 HydrophobicContact CE-CD1 4.23Å; M40-L44 HydrophobicContact CE-CD2 4.29Å; M40-L44 HydrophobicContact CE-CG 4.15Å; M40-L44 WeakPolarHBondContact O-CB 3.27Å; M40-L44 WeakPolarHBondContact O-CG 3.34Å; M40-L44 PolarHBondContact O-N 2.87Å; A41-L44 PolarHBondContact O-N 3.36Å; L44-L47 WeakPolarHBondContact O-CB 3.32Å; L44-L47 PolarHBondContact O-N 2.85Å; L44-G48 PolarHBondContact O-N 2.98Å; L44-L49 HydrophobicContact CB-CB 4.02Å; L44-L49 HydrophobicContact CD2-CB 4.24Å; L44-L49 HydrophobicContact CD2-CD1 3.75Å; L44-L49 PolarHBondContact O-N 2.9Å; L44-N55 HydrophobicContact CD1-CB 4.24Å; L44-R56 HydrophobicContact CD1-CG 3.92Å |
| 45 | S | 95.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -55.7 | -44.6 | -177.1 | 170.2 | 0 | 0 | 0 | 0 | 114.1 | A41 L47 G48 | A41-S45 VanDerWaalsContact O-CB 3.26Å; A41-S45 WeakPolarHBondContact O-CB 3.5Å; A41-S45 PolarHBondContact O-N 3.3Å; S45-L47 PolarHBondContact O-N 3.44Å; S45-L47 VanDerWaalsContact O-N 3.13Å; S45-G48 PolarHBondContact O-N 3.25Å |
| 46 | P | 93.5 | Very high | 95.3 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -63.1 | -17.7 | 176.6 | -24.6 | 35.4 | 0 | 0 | 0 | 114.8 | K42 | K42-P46 VanDerWaalsContact O-CD 3.25Å; K42-P46 WeakPolarHBondContact O-CD 3.09Å |
| 47 | L | 94.5 | Very high | 95.5 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -92.2 | -0.3 | 176.1 | -57.6 | -178.4 | 0 | 0 | 0 | 112.7 | L44 S45 L49 L322 | L44-L47 WeakPolarHBondContact O-CB 3.32Å; L44-L47 PolarHBondContact O-N 2.85Å; S45-L47 PolarHBondContact O-N 3.44Å; S45-L47 VanDerWaalsContact O-N 3.13Å; L47-L49 HydrophobicContact CB-CD1 3.83Å; L47-L49 HydrophobicContact CB-CG 3.93Å; L47-L49 HydrophobicContact CD1-CD1 3.84Å; L47-L49 PolarHBondContact O-N 3.45Å; L47-L322 HydrophobicContact CD1-CD1 3.45Å; L47-L322 VanDerWaalsContact CD1-CD1 3.45Å; L47-L322 HydrophobicContact CD1-CG 3.83Å |
| 48 | G | 95.1 | Very high | 95.7 | Very high | 72 Ų | 72 | 55 Ų | 55 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 19.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L44 S45 | L44-G48 PolarHBondContact O-N 2.98Å; S45-G48 PolarHBondContact O-N 3.25Å |
| 49 | L | 95.4 | Very high | 96 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | trans | -92.9 | 133.9 | -179.4 | -63.9 | 168.6 | 0 | 0 | 0 | 110.9 | L44 L47 W325 G327 | L44-L49 HydrophobicContact CB-CB 4.02Å; L44-L49 HydrophobicContact CD2-CB 4.24Å; L44-L49 HydrophobicContact CD2-CD1 3.75Å; L44-L49 PolarHBondContact O-N 2.9Å; L47-L49 HydrophobicContact CB-CD1 3.83Å; L47-L49 HydrophobicContact CB-CG 3.93Å; L47-L49 HydrophobicContact CD1-CD1 3.84Å; L47-L49 PolarHBondContact O-N 3.45Å; L49-W325 HydrophobicContact CD1-CZ3 4.25Å; L49-G327 VanDerWaalsContact CD1-CA 3.44Å | ||
| 50 | E | 96.4 | Very high | 96.3 | Very high | 137 Ų | 137 | 53 Ų | 53 | 64% | 0.64 | 29% | 0.292 | S | S | * | . | trans | -65.6 | 141.5 | 172.5 | -163.9 | -173.8 | 175.4 | 0 | 0 | 110.9 | I52 N55 | E50-I52 HydrophobicContact CB-CG2 4.44Å; E50-I52 VanDerWaalsContact CD-CG2 3.48Å; E50-I52 HydrophobicContact CG-CG2 3.87Å; E50-I52 PolarHBondContact O-N 2.83Å; E50-N55 PolarHBondContact O-ND2 3.02Å | ||
| 51 | N | 97 | Very high | 96.5 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | trans | -81.3 | 61.9 | 177.8 | -171.4 | 33.6 | 0 | 0 | 0 | 112.5 | T37 A41 R56 | T37-N51 PolarHBondContact O-ND2 3.14Å; A41-N51 HydrophobicContact CB-CB 4.11Å; A41-N51 WeakPolarHBondContact CB-ND2 3.45Å; N51-R56 PolarHBondContact O-NH1 2.9Å; N51-R56 PolarHBondContact OD1-NH1 2.59Å | ||
| 52 | I | 97.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | trans | -100.1 | 157.7 | 172.5 | 59.3 | 173.6 | 0 | 0 | 0 | 111.3 | E50 E54 N55 R56 | E50-I52 HydrophobicContact CB-CG2 4.44Å; E50-I52 VanDerWaalsContact CD-CG2 3.48Å; E50-I52 HydrophobicContact CG-CG2 3.87Å; E50-I52 PolarHBondContact O-N 2.83Å; I52-E54 HydrophobicContact CD1-CB 4.27Å; I52-E54 PolarHBondContact O-N 3.16Å; I52-N55 HydrophobicContact CG1-CB 4.06Å; I52-N55 PolarHBondContact O-N 3.27Å; I52-R56 VanDerWaalsContact C-NH1 3.31Å; I52-R56 PolarHBondContact O-N 3.08Å; I52-R56 PolarHBondContact O-NH1 3.13Å | ||
| 53 | E | 97.7 | Very high | 96.9 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55 | -41.6 | -179.3 | -174.7 | -178.4 | 161.3 | 0 | 0 | 111.9 | N55 R56 R57 E83 | E53-N55 PolarHBondContact O-N 3.45Å; E53-R56 VanDerWaalsContact CA-NH2 3.34Å; E53-R56 CarbonylContact O-C 3.51Å; E53-R56 WeakPolarHBondContact O-CB 3.31Å; E53-R56 PolarHBondContact O-N 3.48Å; E53-R56 VanDerWaalsContact O-N 3.16Å; E53-R57 WeakPolarHBondContact O-CB 2.99Å; E53-R57 PolarHBondContact O-N 2.91Å; E53-E83 HydrophobicContact CG-CG 4.27Å |
| 54 | E | 97.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | -178.2 | 179.6 | 56.9 | -164.6 | 0 | 0 | 112.8 | I52 R56 R57 K58 | I52-E54 HydrophobicContact CD1-CB 4.27Å; I52-E54 PolarHBondContact O-N 3.16Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 2.96Å; E54-R57 PolarHBondContact O-N 2.64Å; E54-R57 IonicContact OE1-CZ 2.94Å; E54-R57 IonicContact OE1-NE 3.46Å; E54-R57 IonicContact OE1-NH2 2.97Å; E54-R57 PolarHBondContact OE1-NH2 3.32Å; E54-R57 IonicContact OE2-CZ 3.61Å; E54-R57 IonicContact OE2-NE 3.34Å; E54-R57 PolarHBondContact OE2-NE 3.43Å; E54-R57 IonicContact OE2-NH2 2.73Å; E54-R57 PolarHBondContact OE2-NH2 3.47Å; E54-K58 HydrophobicContact CG-CD 4.47Å; E54-K58 WeakPolarHBondContact O-CB 3.46Å; E54-K58 WeakPolarHBondContact O-CG 3.48Å; E54-K58 PolarHBondContact O-N 3.14Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 WeakPolarHBondContact OE1-CG 3.44Å |
| 55 | N | 98 | Very high | 97.2 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 177.1 | -75.1 | -17.3 | 0 | 0 | 0 | 111.5 | L44 E50 I52 E53 Y59 | L44-N55 HydrophobicContact CD1-CB 4.24Å; E50-N55 PolarHBondContact O-ND2 3.02Å; I52-N55 HydrophobicContact CG1-CB 4.06Å; I52-N55 PolarHBondContact O-N 3.27Å; E53-N55 PolarHBondContact O-N 3.45Å; N55-Y59 WeakPolarHBondContact O-CB 3.36Å; N55-Y59 PolarHBondContact O-N 3.21Å; N55-Y59 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 98.2 | Very high | 97.3 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -45.9 | 173.9 | -63.8 | -170.8 | -66.6 | -85.2 | 1.5 | 110.8 | M40 L44 N51 I52 E53 E54 Y59 R60 E83 | M40-R56 VanDerWaalsContact CB-CD 3.48Å; M40-R56 HydrophobicContact CB-CG 3.96Å; M40-R56 HydrophobicContact CE-CB 4.26Å; M40-R56 HydrophobicContact CE-CG 3.91Å; M40-R56 HydrophobicContact CG-CG 4.14Å; L44-R56 HydrophobicContact CD1-CG 3.92Å; N51-R56 PolarHBondContact O-NH1 2.9Å; N51-R56 PolarHBondContact OD1-NH1 2.59Å; I52-R56 VanDerWaalsContact C-NH1 3.31Å; I52-R56 PolarHBondContact O-N 3.08Å; I52-R56 PolarHBondContact O-NH1 3.13Å; E53-R56 VanDerWaalsContact CA-NH2 3.34Å; E53-R56 CarbonylContact O-C 3.51Å; E53-R56 WeakPolarHBondContact O-CB 3.31Å; E53-R56 PolarHBondContact O-N 3.48Å; E53-R56 VanDerWaalsContact O-N 3.16Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 2.96Å; R56-Y59 WeakPolarHBondContact O-CB 3.49Å; R56-Y59 PolarHBondContact O-N 2.91Å; R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 3.27Å; R56-E83 IonicContact CZ-OE1 2.58Å; R56-E83 IonicContact CZ-OE2 2.67Å; R56-E83 IonicContact NE-OE1 2.77Å; R56-E83 PolarHBondContact NE-OE1 3.27Å; R56-E83 IonicContact NE-OE2 3.16Å; R56-E83 PolarHBondContact NE-OE2 3.44Å; R56-E83 IonicContact NH2-OE1 3.11Å; R56-E83 PolarHBondContact NH2-OE1 3.29Å; R56-E83 IonicContact NH2-OE2 3.91Å; R56-E83 PolarHBondContact NH2-OE2 3.12Å |
| 57 | R | 98.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 178.1 | -171.5 | -160.8 | 70.6 | 78.1 | 1 | 111.9 | E53 E54 Y59 R60 Q61 Q87 K88 D90 F95 | E53-R57 WeakPolarHBondContact O-CB 2.99Å; E53-R57 PolarHBondContact O-N 2.91Å; E54-R57 PolarHBondContact O-N 2.64Å; E54-R57 IonicContact OE1-CZ 2.94Å; E54-R57 IonicContact OE1-NE 3.46Å; E54-R57 IonicContact OE1-NH2 2.97Å; E54-R57 PolarHBondContact OE1-NH2 3.32Å; E54-R57 IonicContact OE2-CZ 3.61Å; E54-R57 IonicContact OE2-NE 3.34Å; E54-R57 PolarHBondContact OE2-NE 3.43Å; E54-R57 IonicContact OE2-NH2 2.73Å; E54-R57 PolarHBondContact OE2-NH2 3.47Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 PolarHBondContact O-N 2.93Å; R57-R60 WeakPolarHBondContact O-CB 3.22Å; R57-R60 PolarHBondContact O-N 3.04Å; R57-R60 VanDerWaalsContact O-N 3.15Å; R57-Q61 WeakPolarHBondContact O-CB 3.36Å; R57-Q61 PolarHBondContact O-N 3.21Å; R57-Q87 HydrophobicContact CB-CG 4.32Å; R57-Q87 HydrophobicContact CG-CB 4.2Å; R57-Q87 HydrophobicContact CG-CG 4.07Å; R57-K88 WeakPolarHBondContact CD-O 3.25Å; R57-K88 PolarHBondContact NH1-O 3.43Å; R57-D90 IonicContact CZ-OD1 2.75Å; R57-D90 IonicContact NH1-OD1 3.05Å; R57-D90 PolarHBondContact NH1-OD1 2.94Å; R57-D90 IonicContact NH2-OD1 2.65Å; R57-D90 PolarHBondContact NH2-OD1 2.94Å; R57-F95 HydrophobicContact CG-CE2 4.41Å; R57-F95 HydrophobicContact CG-CZ 4.36Å |
| 58 | K | 98.3 | Very high | 97.5 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.3 | -77 | -174.3 | 169.4 | -159.8 | 0 | 112 | E54 Q61 M62 W325 D329 | E54-K58 HydrophobicContact CG-CD 4.47Å; E54-K58 WeakPolarHBondContact O-CB 3.46Å; E54-K58 WeakPolarHBondContact O-CG 3.48Å; E54-K58 PolarHBondContact O-N 3.14Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 WeakPolarHBondContact OE1-CG 3.44Å; K58-Q61 PolarHBondContact O-N 3.13Å; K58-M62 WeakPolarHBondContact O-CB 3.18Å; K58-M62 PolarHBondContact O-N 3.36Å; K58-W325 HydrophobicContact CB-CH2 4.24Å; K58-W325 HydrophobicContact CB-CZ2 3.96Å; K58-D329 IonicContact NZ-OD1 3.53Å; K58-D329 PolarHBondContact NZ-OD1 2.92Å; K58-D329 IonicContact NZ-OD2 2.84Å; K58-D329 PolarHBondContact NZ-OD2 3.04Å |
| 59 | Y | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 175.1 | 176.8 | -125.7 | 0 | 0 | 0 | 112.1 | M40 N55 R56 R57 M62 L63 Q318 L322 W325 | M40-Y59 HydrophobicContact CE-CD1 3.58Å; M40-Y59 HydrophobicContact CE-CE1 4.17Å; M40-Y59 HydrophobicContact CE-CG 4.46Å; M40-Y59 HydrophobicContact SD-CD1 4.36Å; M40-Y59 HydrophobicContact SD-CE1 4.48Å; N55-Y59 WeakPolarHBondContact O-CB 3.36Å; N55-Y59 PolarHBondContact O-N 3.21Å; N55-Y59 VanDerWaalsContact O-N 3.14Å; R56-Y59 WeakPolarHBondContact O-CB 3.49Å; R56-Y59 PolarHBondContact O-N 2.91Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 PolarHBondContact O-N 2.93Å; Y59-M62 HydrophobicContact CD2-CE 3.71Å; Y59-M62 HydrophobicContact CE2-CE 3.67Å; Y59-M62 PolarHBondContact O-N 3.04Å; Y59-L63 HydrophobicContact CE1-CD1 4.05Å; Y59-L63 HydrophobicContact CE2-CD1 4Å; Y59-L63 HydrophobicContact CE2-CD2 4.4Å; Y59-L63 HydrophobicContact CE2-CG 4.19Å; Y59-L63 PolarHBondContact O-N 2.99Å; Y59-Q318 WeakPolarHBondContact OH-CB 3.36Å; Y59-Q318 PolarHBondContact OH-O 3Å; Y59-Q318 PolarHBondContact OH-OE1 2.99Å; Y59-Q318 VanDerWaalsContact OH-OE1 3.12Å; Y59-L322 HydrophobicContact CD2-CD1 3.85Å; Y59-L322 HydrophobicContact CE2-CB 3.91Å; Y59-L322 HydrophobicContact CE2-CD1 3.58Å; Y59-L322 HydrophobicContact CE2-CG 4.29Å; Y59-L322 HydrophobicContact CG-CD1 4.49Å; Y59-W325 AromaticContact CD2-CE3 3.67Å; Y59-W325 HydrophobicContact CD2-CE3 3.67Å; Y59-W325 AromaticContact CD2-CZ3 3.72Å; Y59-W325 HydrophobicContact CD2-CZ3 3.72Å; Y59-W325 HydrophobicContact CE2-CE3 4.5Å; Y59-W325 HydrophobicContact CG-CE3 4.39Å; Y59-W325 AromaticContact CG-CZ3 3.97Å; Y59-W325 HydrophobicContact CG-CZ3 3.97Å |
| 60 | R | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.7 | -65.7 | -56.7 | -172 | -154.9 | -3 | 111.6 | A33 E35 R56 R57 M62 L63 F64 T84 F95 | A33-R60 VanDerWaalsContact CA-NH1 3.34Å; A33-R60 PolarHBondContact O-NH2 2.82Å; E35-R60 IonicContact OE2-CZ 3.2Å; E35-R60 IonicContact OE2-NH1 2.7Å; E35-R60 PolarHBondContact OE2-NH1 3.27Å; E35-R60 IonicContact OE2-NH2 2.76Å; E35-R60 PolarHBondContact OE2-NH2 3.26Å; R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 3.27Å; R57-R60 WeakPolarHBondContact O-CB 3.22Å; R57-R60 PolarHBondContact O-N 3.04Å; R57-R60 VanDerWaalsContact O-N 3.15Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-M62 PolarHBondContact O-N 2.89Å; R60-L63 PolarHBondContact O-N 3.1Å; R60-F64 HydrophobicContact CB-CD2 4.03Å; R60-F64 HydrophobicContact CB-CE2 3.7Å; R60-F64 HydrophobicContact CB-CZ 4.11Å; R60-F64 HydrophobicContact CG-CE2 4.27Å; R60-F64 HydrophobicContact CG-CZ 4.35Å; R60-F64 WeakPolarHBondContact O-CB 3.22Å; R60-F64 WeakPolarHBondContact O-CD1 3.3Å; R60-F64 WeakPolarHBondContact O-CD2 3.45Å; R60-F64 WeakPolarHBondContact O-CG 3.45Å; R60-F64 PolarHBondContact O-N 2.95Å; R60-T84 HydrophobicContact CB-CG2 4.34Å; R60-T84 HydrophobicContact CG-CG2 3.73Å; R60-T84 PolarHBondContact NE-OG1 3.28Å; R60-F95 HydrophobicContact CB-CE2 3.81Å; R60-F95 HydrophobicContact CB-CZ 4.1Å |
| 61 | Q | 98.5 | Very high | 97.7 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 177.5 | -175.2 | 173.9 | -85.9 | 0 | 0 | 112 | R57 K58 L63 F64 L65 D90 F95 | R57-Q61 WeakPolarHBondContact O-CB 3.36Å; R57-Q61 PolarHBondContact O-N 3.21Å; K58-Q61 PolarHBondContact O-N 3.13Å; Q61-L63 VanDerWaalsContact C-N 3.29Å; Q61-L63 PolarHBondContact O-N 3.41Å; Q61-F64 PolarHBondContact O-N 2.75Å; Q61-L65 HydrophobicContact CG-CD1 3.5Å; Q61-L65 HydrophobicContact CG-CG 3.86Å; Q61-L65 WeakPolarHBondContact O-CB 3.37Å; Q61-L65 PolarHBondContact O-N 3.04Å; Q61-D90 VanDerWaalsContact NE2-CG 3.25Å; Q61-D90 PolarHBondContact NE2-OD2 3.2Å; Q61-D90 VanDerWaalsContact OE1-CG 3.31Å; Q61-D90 PolarHBondContact OE1-OD1 3.03Å; Q61-F95 HydrophobicContact CB-CE1 4.06Å; Q61-F95 HydrophobicContact CB-CZ 3.94Å; Q61-F95 HydrophobicContact CG-CE1 4.41Å |
| 62 | M | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54 | -47.7 | 177.4 | 178.4 | -79.5 | -67.5 | 0 | 0 | 110.7 | K58 Y59 R60 A321 W325 V332 Q336 | K58-M62 WeakPolarHBondContact O-CB 3.18Å; K58-M62 PolarHBondContact O-N 3.36Å; Y59-M62 HydrophobicContact CD2-CE 3.71Å; Y59-M62 HydrophobicContact CE2-CE 3.67Å; Y59-M62 PolarHBondContact O-N 3.04Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-M62 PolarHBondContact O-N 2.89Å; M62-A321 HydrophobicContact CE-CB 4.25Å; M62-W325 HydrophobicContact CE-CB 3.91Å; M62-W325 HydrophobicContact CE-CD2 4.4Å; M62-W325 HydrophobicContact CE-CG 4.15Å; M62-W325 HydrophobicContact CG-CG 4.17Å; M62-V332 HydrophobicContact CG-CG1 4.25Å; M62-Q336 HydrophobicContact CG-CG 4.26Å; M62-Q336 WeakPolarHBondContact O-CG 3.33Å; M62-Q336 PolarHBondContact O-NE2 3.11Å; M62-Q336 VanDerWaalsContact O-NE2 3.11Å; M62-Q336 HydrophobicContact SD-CG 4.19Å |
| 63 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.4 | -51.9 | 177 | -61 | 173.8 | 0 | 0 | 0 | 112 | Y59 R60 Q61 L65 S66 W71 Q318 A321 F339 | Y59-L63 HydrophobicContact CE1-CD1 4.05Å; Y59-L63 HydrophobicContact CE2-CD1 4Å; Y59-L63 HydrophobicContact CE2-CD2 4.4Å; Y59-L63 HydrophobicContact CE2-CG 4.19Å; Y59-L63 PolarHBondContact O-N 2.99Å; R60-L63 PolarHBondContact O-N 3.1Å; Q61-L63 VanDerWaalsContact C-N 3.29Å; Q61-L63 PolarHBondContact O-N 3.41Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 2.78Å; L63-S66 WeakPolarHBondContact O-CB 3.19Å; L63-S66 PolarHBondContact O-N 3.25Å; L63-S66 PolarHBondContact O-OG 2.83Å; L63-W71 WeakPolarHBondContact O-CZ2 3.49Å; L63-W71 PolarHBondContact O-NE1 2.84Å; L63-Q318 HydrophobicContact CD1-CG 3.96Å; L63-A321 HydrophobicContact CD2-CB 3.82Å; L63-F339 HydrophobicContact CD2-CB 4.12Å; L63-F339 HydrophobicContact CD2-CD2 3.64Å; L63-F339 HydrophobicContact CD2-CE2 4.3Å; L63-F339 HydrophobicContact CD2-CG 3.98Å |
| 64 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.4 | -27 | -168 | -61 | -13.1 | 0 | 0 | 0 | 113.4 | L31 A33 R60 Q61 W71 V78 T84 F95 F99 R102 | L31-F64 HydrophobicContact CD2-CD1 4.06Å; L31-F64 HydrophobicContact CD2-CE1 3.7Å; A33-F64 HydrophobicContact CB-CE1 3.79Å; A33-F64 HydrophobicContact CB-CZ 3.7Å; R60-F64 HydrophobicContact CB-CD2 4.03Å; R60-F64 HydrophobicContact CB-CE2 3.7Å; R60-F64 HydrophobicContact CB-CZ 4.11Å; R60-F64 HydrophobicContact CG-CE2 4.27Å; R60-F64 HydrophobicContact CG-CZ 4.35Å; R60-F64 WeakPolarHBondContact O-CB 3.22Å; R60-F64 WeakPolarHBondContact O-CD1 3.3Å; R60-F64 WeakPolarHBondContact O-CD2 3.45Å; R60-F64 WeakPolarHBondContact O-CG 3.45Å; R60-F64 PolarHBondContact O-N 2.95Å; Q61-F64 PolarHBondContact O-N 2.75Å; F64-W71 HydrophobicContact CD1-CH2 4.13Å; F64-W71 HydrophobicContact CD1-CZ2 4.29Å; F64-V78 HydrophobicContact CE1-CG1 3.92Å; F64-V78 HydrophobicContact CZ-CG1 4Å; F64-T84 HydrophobicContact CE2-CG2 3.77Å; F64-T84 HydrophobicContact CZ-CG2 4Å; F64-F95 HydrophobicContact CB-CD1 4.45Å; F64-F95 HydrophobicContact CD2-CB 3.94Å; F64-F95 AromaticContact CD2-CD1 3.64Å; F64-F95 HydrophobicContact CD2-CD1 3.64Å; F64-F95 AromaticContact CD2-CD2 3.81Å; F64-F95 HydrophobicContact CD2-CD2 3.81Å; F64-F95 HydrophobicContact CD2-CE1 4.01Å; F64-F95 HydrophobicContact CD2-CE2 4.15Å; F64-F95 AromaticContact CD2-CG 3.54Å; F64-F95 HydrophobicContact CD2-CG 3.54Å; F64-F95 HydrophobicContact CD2-CZ 4.26Å; F64-F95 HydrophobicContact CE2-CB 4.14Å; F64-F95 HydrophobicContact CE2-CD1 4.43Å; F64-F95 AromaticContact CE2-CD2 3.79Å; F64-F95 HydrophobicContact CE2-CD2 3.79Å; F64-F95 HydrophobicContact CE2-CE2 4.24Å; F64-F95 AromaticContact CE2-CG 3.89Å; F64-F95 HydrophobicContact CE2-CG 3.89Å; F64-F99 HydrophobicContact CB-CE1 3.97Å; F64-F99 HydrophobicContact CB-CZ 3.99Å; F64-F99 HydrophobicContact CD1-CE1 4.09Å; F64-F99 AromaticContact CD1-CZ 3.62Å; F64-F99 HydrophobicContact CD1-CZ 3.62Å; F64-F99 HydrophobicContact CD2-CE1 4.29Å; F64-F99 HydrophobicContact CD2-CE2 4.15Å; F64-F99 AromaticContact CD2-CZ 3.47Å; F64-F99 HydrophobicContact CD2-CZ 3.47Å; F64-F99 VanDerWaalsContact CD2-CZ 3.47Å; F64-F99 AromaticContact CE1-CZ 3.85Å; F64-F99 HydrophobicContact CE1-CZ 3.85Å; F64-F99 HydrophobicContact CE2-CE2 4.07Å; F64-F99 AromaticContact CE2-CZ 3.68Å; F64-F99 HydrophobicContact CE2-CZ 3.68Å; F64-F99 AromaticContact CG-CE1 3.87Å; F64-F99 HydrophobicContact CG-CE1 3.87Å; F64-F99 HydrophobicContact CG-CE2 4.49Å; F64-F99 AromaticContact CG-CZ 3.42Å; F64-F99 HydrophobicContact CG-CZ 3.42Å; F64-F99 VanDerWaalsContact CG-CZ 3.42Å; F64-F99 HydrophobicContact CZ-CE2 4.37Å; F64-F99 AromaticContact CZ-CZ 3.86Å; F64-F99 HydrophobicContact CZ-CZ 3.86Å; F64-R102 PolarHBondContact O-NH1 3.22Å |
| 65 | L | 97.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 34 Ų | 34 | 29% | 0.293 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.3 | 177.7 | -59.6 | -168.4 | 0 | 0 | 0 | 113.5 | Q61 L63 A89 I98 Q336 | Q61-L65 HydrophobicContact CG-CD1 3.5Å; Q61-L65 HydrophobicContact CG-CG 3.86Å; Q61-L65 WeakPolarHBondContact O-CB 3.37Å; Q61-L65 PolarHBondContact O-N 3.04Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 2.78Å; L65-A89 HydrophobicContact CD1-CB 4.27Å; L65-I98 HydrophobicContact CD2-CD1 4.14Å; L65-I98 HydrophobicContact CD2-CG2 3.94Å; L65-Q336 PolarHBondContact O-NE2 3.4Å |
| 66 | S | 97.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -64.1 | 173.6 | 168.4 | 82.9 | 0 | 0 | 0 | 0 | 111.4 | L63 A68 W71 R102 F339 I340 | L63-S66 WeakPolarHBondContact O-CB 3.19Å; L63-S66 PolarHBondContact O-N 3.25Å; L63-S66 PolarHBondContact O-OG 2.83Å; S66-A68 PolarHBondContact O-N 3.05Å; S66-W71 PolarHBondContact OG-NE1 3.45Å; S66-R102 PolarHBondContact O-NH1 3.36Å; S66-R102 VanDerWaalsContact O-NH1 3.08Å; S66-F339 VanDerWaalsContact OG-CD1 3.3Å; S66-F339 WeakPolarHBondContact OG-CD1 3.43Å; S66-I340 VanDerWaalsContact OG-CD1 3.3Å; S66-I340 WeakPolarHBondContact OG-CD1 3.33Å |
| 67 | D | 96.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | trans | -40.3 | 106.4 | -174.1 | -174.6 | -26.2 | 0 | 0 | 0 | 114.4 | E69 V70 W71 I340 | D67-E69 VanDerWaalsContact C-N 3.29Å; D67-E69 PolarHBondContact O-N 3.41Å; D67-E69 PolarHBondContact OD1-N 3.45Å; D67-V70 HydrophobicContact CB-CB 4.34Å; D67-V70 HydrophobicContact CB-CG2 4.18Å; D67-V70 PolarHBondContact O-N 2.92Å; D67-V70 PolarHBondContact OD1-N 3.3Å; D67-W71 VanDerWaalsContact O-CD1 3.24Å; D67-W71 PolarHBondContact O-N 3.09Å; D67-I340 HydrophobicContact CB-CD1 3.91Å; D67-I340 HydrophobicContact CB-CG1 4.02Å | ||
| 68 | A | 95.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 31% | 0.314 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.7 | -30.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S66 W71 K72 | S66-A68 PolarHBondContact O-N 3.05Å; A68-W71 WeakPolarHBondContact O-CB 3.35Å; A68-W71 PolarHBondContact O-N 3.04Å; A68-K72 WeakPolarHBondContact O-CB 3.48Å; A68-K72 PolarHBondContact O-N 3.12Å |
| 69 | E | 96.5 | Very high | 97.8 | Very high | 117 Ų | 117 | 27.9 Ų | 27.9 | 55% | 0.547 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -71.8 | -38.8 | 179.5 | -69 | -55.1 | 132.1 | 0 | 0 | 110.9 | D67 K72 Q73 | D67-E69 VanDerWaalsContact C-N 3.29Å; D67-E69 PolarHBondContact O-N 3.41Å; D67-E69 PolarHBondContact OD1-N 3.45Å; E69-K72 PolarHBondContact O-N 3.48Å; E69-Q73 WeakPolarHBondContact O-CG 3.43Å; E69-Q73 PolarHBondContact O-N 2.97Å |
| 70 | V | 97.2 | Very high | 97.8 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 173 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | D67 K72 Q73 T74 I340 K344 | D67-V70 HydrophobicContact CB-CB 4.34Å; D67-V70 HydrophobicContact CB-CG2 4.18Å; D67-V70 PolarHBondContact O-N 2.92Å; D67-V70 PolarHBondContact OD1-N 3.3Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 3.16Å; V70-Q73 PolarHBondContact O-N 3.5Å; V70-Q73 VanDerWaalsContact O-N 3.07Å; V70-T74 HydrophobicContact CG1-CG2 3.79Å; V70-T74 WeakPolarHBondContact O-CB 3.27Å; V70-T74 WeakPolarHBondContact O-CG2 3.45Å; V70-T74 PolarHBondContact O-N 3.49Å; V70-T74 PolarHBondContact O-OG1 2.89Å; V70-I340 HydrophobicContact CB-CD1 3.78Å; V70-I340 HydrophobicContact CB-CG2 4.33Å; V70-I340 HydrophobicContact CG1-CD1 3.83Å; V70-I340 HydrophobicContact CG1-CG2 4.09Å; V70-I340 HydrophobicContact CG2-CD1 4.44Å; V70-I340 HydrophobicContact CG2-CG2 3.99Å; V70-K344 HydrophobicContact CG1-CD 4.44Å; V70-K344 HydrophobicContact CG1-CG 3.86Å |
| 71 | W | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53 | -49.8 | 173.8 | -91 | 89 | 0 | 0 | 0 | 111.2 | L31 L63 F64 S66 D67 A68 Q73 T74 I75 V78 F99 I104 F339 | L31-W71 HydrophobicContact CD2-CH2 3.65Å; L31-W71 HydrophobicContact CD2-CZ2 4.17Å; L63-W71 WeakPolarHBondContact O-CZ2 3.49Å; L63-W71 PolarHBondContact O-NE1 2.84Å; F64-W71 HydrophobicContact CD1-CH2 4.13Å; F64-W71 HydrophobicContact CD1-CZ2 4.29Å; S66-W71 PolarHBondContact OG-NE1 3.45Å; D67-W71 VanDerWaalsContact O-CD1 3.24Å; D67-W71 PolarHBondContact O-N 3.09Å; A68-W71 WeakPolarHBondContact O-CB 3.35Å; A68-W71 PolarHBondContact O-N 3.04Å; W71-Q73 PolarHBondContact O-N 3.27Å; W71-Q73 VanDerWaalsContact O-N 3.09Å; W71-T74 PolarHBondContact O-N 3.46Å; W71-T74 VanDerWaalsContact O-N 3.09Å; W71-I75 HydrophobicContact CD2-CB 4.43Å; W71-I75 HydrophobicContact CD2-CG1 4.48Å; W71-I75 HydrophobicContact CE3-CB 3.58Å; W71-I75 HydrophobicContact CE3-CG1 3.99Å; W71-I75 HydrophobicContact CE3-CG2 3.65Å; W71-I75 HydrophobicContact CH2-CG2 4.5Å; W71-I75 HydrophobicContact CZ3-CB 3.93Å; W71-I75 HydrophobicContact CZ3-CG1 4.27Å; W71-I75 HydrophobicContact CZ3-CG2 3.48Å; W71-I75 VanDerWaalsContact CZ3-CG2 3.48Å; W71-I75 PolarHBondContact O-N 3.15Å; W71-I75 VanDerWaalsContact O-O 3.07Å; W71-V78 HydrophobicContact CH2-CG2 3.8Å; W71-V78 HydrophobicContact CZ3-CG2 3.51Å; W71-F99 HydrophobicContact CH2-CE1 4.02Å; W71-F99 HydrophobicContact CZ3-CE1 4.1Å; W71-I104 HydrophobicContact CB-CD1 4.17Å; W71-I104 HydrophobicContact CD2-CD1 3.98Å; W71-I104 HydrophobicContact CE3-CD1 3.29Å; W71-I104 HydrophobicContact CE3-CG1 4.15Å; W71-I104 HydrophobicContact CG-CD1 4.37Å; W71-I104 HydrophobicContact CZ3-CD1 3.9Å; W71-I104 HydrophobicContact CZ3-CG2 4.38Å; W71-F339 HydrophobicContact CD2-CE1 4.49Å; W71-F339 AromaticContact CE2-CE1 3.57Å; W71-F339 AromaticContact CE2-CZ 3.96Å; W71-F339 HydrophobicContact CH2-CZ 4.16Å; W71-F339 AromaticContact CZ2-CE1 3.59Å; W71-F339 HydrophobicContact CZ2-CE1 3.59Å; W71-F339 AromaticContact CZ2-CZ 3.56Å; W71-F339 HydrophobicContact CZ2-CZ 3.56Å; W71-F339 AromaticContact NE1-CE1 3.49Å |
| 72 | K | 96.2 | Very high | 97.7 | Very high | 124 Ų | 124 | 33.4 Ų | 33.4 | 54% | 0.539 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.2 | -27.3 | 179.2 | -173.6 | 177.7 | 178.8 | -178.4 | 0 | 113.5 | K28 A68 E69 V70 | K28-K72 WeakPolarHBondContact CE-O 3.3Å; K28-K72 PolarHBondContact NZ-O 3.34Å; A68-K72 WeakPolarHBondContact O-CB 3.48Å; A68-K72 PolarHBondContact O-N 3.12Å; E69-K72 PolarHBondContact O-N 3.48Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 3.16Å |
| 73 | Q | 96.8 | Very high | 97.7 | Very high | 124 Ų | 124 | 35 Ų | 35 | 58% | 0.579 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -91.6 | -25 | 179.3 | -66.2 | 176.1 | 14.4 | 0 | 0 | 113.8 | E69 V70 W71 | E69-Q73 WeakPolarHBondContact O-CG 3.43Å; E69-Q73 PolarHBondContact O-N 2.97Å; V70-Q73 PolarHBondContact O-N 3.5Å; V70-Q73 VanDerWaalsContact O-N 3.07Å; W71-Q73 PolarHBondContact O-N 3.27Å; W71-Q73 VanDerWaalsContact O-N 3.09Å |
| 74 | T | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -121.4 | -23 | -163.9 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | K28 G29 V70 W71 K344 | K28-T74 WeakPolarHBondContact CA-O 3.49Å; G29-T74 PolarHBondContact N-O 3.13Å; V70-T74 HydrophobicContact CG1-CG2 3.79Å; V70-T74 WeakPolarHBondContact O-CB 3.27Å; V70-T74 WeakPolarHBondContact O-CG2 3.45Å; V70-T74 PolarHBondContact O-N 3.49Å; V70-T74 PolarHBondContact O-OG1 2.89Å; W71-T74 PolarHBondContact O-N 3.46Å; W71-T74 VanDerWaalsContact O-N 3.09Å; T74-K344 HydrophobicContact CG2-CG 4.43Å |
| 75 | I | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.1 | -176.6 | -55.5 | -66.6 | 0 | 0 | 0 | 109.8 | G29 W71 G77 V78 F311 L317 | G29-I75 CarbonylContact O-C 3.45Å; G29-I75 WeakPolarHBondContact O-CA 3.44Å; W71-I75 HydrophobicContact CD2-CB 4.43Å; W71-I75 HydrophobicContact CD2-CG1 4.48Å; W71-I75 HydrophobicContact CE3-CB 3.58Å; W71-I75 HydrophobicContact CE3-CG1 3.99Å; W71-I75 HydrophobicContact CE3-CG2 3.65Å; W71-I75 HydrophobicContact CH2-CG2 4.5Å; W71-I75 HydrophobicContact CZ3-CB 3.93Å; W71-I75 HydrophobicContact CZ3-CG1 4.27Å; W71-I75 HydrophobicContact CZ3-CG2 3.48Å; W71-I75 VanDerWaalsContact CZ3-CG2 3.48Å; W71-I75 PolarHBondContact O-N 3.15Å; W71-I75 VanDerWaalsContact O-O 3.07Å; I75-G77 VanDerWaalsContact CG2-O 3.29Å; I75-G77 WeakPolarHBondContact CG2-O 3.23Å; I75-V78 HydrophobicContact CG2-CG2 4.5Å; I75-F311 HydrophobicContact CD1-CE2 3.64Å; I75-F311 HydrophobicContact CD1-CZ 3.74Å; I75-L317 HydrophobicContact CD1-CD2 3.95Å |
| 76 | S | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -23.5 | 178.2 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | A22 I23 G29 L105 | A22-S76 WeakPolarHBondContact O-CB 3.35Å; I23-S76 VanDerWaalsContact O-CB 3.23Å; I23-S76 WeakPolarHBondContact O-CB 3.46Å; I23-S76 PolarHBondContact O-OG 3.26Å; G29-S76 PolarHBondContact O-N 3.23Å; G29-S76 PolarHBondContact O-OG 3.03Å; S76-L105 WeakPolarHBondContact O-CB 3.29Å; S76-L105 PolarHBondContact O-N 3.48Å |
| 77 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 162.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I30 L31 I75 L105 | I30-G77 VanDerWaalsContact CA-O 3.31Å; I30-G77 WeakPolarHBondContact CA-O 3.47Å; L31-G77 PolarHBondContact N-O 3.36Å; I75-G77 VanDerWaalsContact CG2-O 3.29Å; I75-G77 WeakPolarHBondContact CG2-O 3.23Å; G77-L105 CarbonylContact C-O 3.25Å; G77-L105 WeakPolarHBondContact CA-O 3.33Å |
| 78 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.4 | 177 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | L31 A33 F64 W71 I75 M80 F99 I104 L105 G107 | L31-V78 HydrophobicContact CB-CG1 4.42Å; L31-V78 HydrophobicContact CB-CG2 4.3Å; L31-V78 HydrophobicContact CD2-CG1 4.37Å; L31-V78 HydrophobicContact CG-CG1 4.39Å; L31-V78 CarbonylContact O-C 3.51Å; L31-V78 VanDerWaalsContact O-CA 3.3Å; L31-V78 WeakPolarHBondContact O-CA 3.43Å; A33-V78 HydrophobicContact CB-CG1 3.94Å; F64-V78 HydrophobicContact CE1-CG1 3.92Å; F64-V78 HydrophobicContact CZ-CG1 4Å; W71-V78 HydrophobicContact CH2-CG2 3.8Å; W71-V78 HydrophobicContact CZ3-CG2 3.51Å; I75-V78 HydrophobicContact CG2-CG2 4.5Å; V78-M80 HydrophobicContact CG1-CG 4.03Å; V78-F99 HydrophobicContact CB-CD2 4.39Å; V78-F99 HydrophobicContact CB-CE1 4.46Å; V78-F99 HydrophobicContact CB-CE2 3.9Å; V78-F99 HydrophobicContact CB-CZ 3.92Å; V78-F99 HydrophobicContact CG1-CE2 4.03Å; V78-F99 HydrophobicContact CG1-CZ 3.91Å; V78-F99 HydrophobicContact CG2-CD1 4.15Å; V78-F99 HydrophobicContact CG2-CD2 4.46Å; V78-F99 HydrophobicContact CG2-CE1 3.7Å; V78-F99 HydrophobicContact CG2-CE2 4.04Å; V78-F99 HydrophobicContact CG2-CZ 3.63Å; V78-I104 HydrophobicContact CG2-CG2 3.88Å; V78-L105 PolarHBondContact N-O 2.91Å; V78-G107 CarbonylContact O-C 3.06Å; V78-G107 VanDerWaalsContact O-CA 3.31Å; V78-G107 WeakPolarHBondContact O-CA 3.26Å; V78-G107 PolarHBondContact O-N 2.94Å |
| 79 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.8 | 171.5 | -54.5 | 161.6 | 0 | 0 | 0 | 107.2 | I30 L31 A33 D34 K109 F152 K154 I193 S312 | I30-I79 HydrophobicContact CG2-CD1 3.72Å; I30-I79 HydrophobicContact CG2-CG1 3.7Å; L31-I79 PolarHBondContact O-N 3.09Å; A33-I79 CarbonylContact C-O 3.47Å; A33-I79 VanDerWaalsContact CA-O 3.26Å; A33-I79 WeakPolarHBondContact CA-O 2.99Å; A33-I79 PolarHBondContact N-O 3.07Å; D34-I79 HydrophobicContact CB-CB 4.3Å; D34-I79 HydrophobicContact CB-CG2 3.72Å; D34-I79 PolarHBondContact N-O 3.41Å; I79-K109 HydrophobicContact CG2-CB 4.15Å; I79-F152 HydrophobicContact CD1-CE2 4.27Å; I79-F152 HydrophobicContact CG1-CD2 4.44Å; I79-F152 HydrophobicContact CG1-CE2 3.48Å; I79-F152 VanDerWaalsContact CG1-CE2 3.48Å; I79-F152 HydrophobicContact CG1-CZ 4.14Å; I79-K154 HydrophobicContact CD1-CB 4.14Å; I79-K154 HydrophobicContact CD1-CD 3.78Å; I79-K154 HydrophobicContact CD1-CG 4.05Å; I79-K154 HydrophobicContact CG2-CB 3.91Å; I79-K154 HydrophobicContact CG2-CD 4.2Å; I79-I193 HydrophobicContact CD1-CD1 4.12Å; I79-S312 WeakPolarHBondContact CD1-OG 3.49Å |
| 80 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 157.6 | -179.8 | -69 | 170.9 | -86.2 | 0 | 0 | 111.7 | V78 T84 F85 V96 F99 P106 G107 K109 | V78-M80 HydrophobicContact CG1-CG 4.03Å; M80-T84 HydrophobicContact CB-CG2 4.19Å; M80-T84 HydrophobicContact CG-CG2 3.88Å; M80-T84 HydrophobicContact SD-CG2 4.21Å; M80-F85 HydrophobicContact CB-CB 4.28Å; M80-F85 HydrophobicContact CB-CD2 4.34Å; M80-F85 HydrophobicContact CE-CD2 3.66Å; M80-F85 HydrophobicContact CE-CE2 4.03Å; M80-F85 HydrophobicContact SD-CD2 4.23Å; M80-V96 HydrophobicContact CE-CG2 4.05Å; M80-F99 HydrophobicContact CE-CD2 3.98Å; M80-F99 HydrophobicContact CE-CE2 3.9Å; M80-F99 HydrophobicContact SD-CD2 4.33Å; M80-F99 HydrophobicContact SD-CE2 3.74Å; M80-P106 HydrophobicContact CE-CB 3.85Å; M80-G107 PolarHBondContact N-O 3.03Å; M80-K109 PolarHBondContact O-N 3.02Å |
| 81 | F | 97.5 | Very high | 98 | Very high | 50 Ų | 50 | 40.6 Ų | 40.6 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | trans | -82.7 | 158.5 | 162.8 | -174.9 | -116.7 | 0 | 0 | 0 | 109.7 | E35 T37 E83 T84 F85 | E35-F81 WeakPolarHBondContact O-CB 3.42Å; T37-F81 HydrophobicContact CG2-CE1 4.18Å; F81-E83 VanDerWaalsContact C-N 3.32Å; F81-E83 HydrophobicContact CD1-CB 3.97Å; F81-E83 HydrophobicContact CE1-CB 4.29Å; F81-E83 PolarHBondContact O-N 3.34Å; F81-T84 PolarHBondContact O-N 3.39Å; F81-F85 PolarHBondContact O-N 3.06Å | ||
| 82 | H | 97.1 | Very high | 98 | Very high | 93 Ų | 93 | 42.7 Ų | 42.7 | 43% | 0.431 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -48.9 | -50 | -178.1 | 178.3 | 83.7 | 0 | 0 | 0 | 112.7 | T84 F85 Y86 Y145 | H82-T84 PolarHBondContact O-N 3.39Å; H82-F85 WeakPolarHBondContact O-CB 3.32Å; H82-F85 PolarHBondContact O-N 3.21Å; H82-Y86 AromaticContact CE1-CD2 3.9Å; H82-Y86 AromaticContact CE1-CE2 3.41Å; H82-Y86 VanDerWaalsContact CE1-CE2 3.41Å; H82-Y86 WeakPolarHBondContact CE1-CE2 3.27Å; H82-Y86 AromaticContact ND1-CE2 3.64Å; H82-Y86 VanDerWaalsContact O-CD2 3.27Å; H82-Y86 WeakPolarHBondContact O-CD2 3.41Å; H82-Y145 AromaticContact ND1-CE1 3.8Å; H82-Y145 AromaticContact ND1-CZ 3.74Å; H82-Y145 PolarHBondContact ND1-OH 2.84Å |
| 83 | E | 97.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -51 | 177.1 | -173.1 | -171.6 | 87.9 | 0 | 0 | 111.8 | E53 R56 F81 F85 Y86 Q87 | E53-E83 HydrophobicContact CG-CG 4.27Å; R56-E83 IonicContact CZ-OE1 2.58Å; R56-E83 IonicContact CZ-OE2 2.67Å; R56-E83 IonicContact NE-OE1 2.77Å; R56-E83 PolarHBondContact NE-OE1 3.27Å; R56-E83 IonicContact NE-OE2 3.16Å; R56-E83 PolarHBondContact NE-OE2 3.44Å; R56-E83 IonicContact NH2-OE1 3.11Å; R56-E83 PolarHBondContact NH2-OE1 3.29Å; R56-E83 IonicContact NH2-OE2 3.91Å; R56-E83 PolarHBondContact NH2-OE2 3.12Å; F81-E83 VanDerWaalsContact C-N 3.32Å; F81-E83 HydrophobicContact CD1-CB 3.97Å; F81-E83 HydrophobicContact CE1-CB 4.29Å; F81-E83 PolarHBondContact O-N 3.34Å; E83-F85 VanDerWaalsContact C-N 3.26Å; E83-F85 PolarHBondContact O-N 2.96Å; E83-Y86 PolarHBondContact O-N 3.46Å; E83-Q87 WeakPolarHBondContact O-CG 3.22Å; E83-Q87 PolarHBondContact O-N 2.76Å; E83-Q87 VanDerWaalsContact O-N 3.09Å; E83-Q87 PolarHBondContact OE1-NE2 2.93Å |
| 84 | T | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -31.2 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 113 | R60 F64 M80 F81 H82 Y86 Q87 F95 | R60-T84 HydrophobicContact CB-CG2 4.34Å; R60-T84 HydrophobicContact CG-CG2 3.73Å; R60-T84 PolarHBondContact NE-OG1 3.28Å; F64-T84 HydrophobicContact CE2-CG2 3.77Å; F64-T84 HydrophobicContact CZ-CG2 4Å; M80-T84 HydrophobicContact CB-CG2 4.19Å; M80-T84 HydrophobicContact CG-CG2 3.88Å; M80-T84 HydrophobicContact SD-CG2 4.21Å; F81-T84 PolarHBondContact O-N 3.39Å; H82-T84 PolarHBondContact O-N 3.39Å; T84-Y86 PolarHBondContact O-N 3.43Å; T84-Q87 PolarHBondContact O-N 3.47Å; T84-F95 HydrophobicContact CG2-CD2 4.34Å |
| 85 | F | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -25.3 | 179.7 | -166.9 | -93.8 | 0 | 0 | 0 | 113.3 | M80 F81 H82 E83 R94 V96 P106 I108 Y145 D148 A150 | M80-F85 HydrophobicContact CB-CB 4.28Å; M80-F85 HydrophobicContact CB-CD2 4.34Å; M80-F85 HydrophobicContact CE-CD2 3.66Å; M80-F85 HydrophobicContact CE-CE2 4.03Å; M80-F85 HydrophobicContact SD-CD2 4.23Å; F81-F85 PolarHBondContact O-N 3.06Å; H82-F85 WeakPolarHBondContact O-CB 3.32Å; H82-F85 PolarHBondContact O-N 3.21Å; E83-F85 VanDerWaalsContact C-N 3.26Å; E83-F85 PolarHBondContact O-N 2.96Å; F85-R94 PolarHBondContact O-NH2 2.92Å; F85-V96 HydrophobicContact CD1-CG2 4.26Å; F85-V96 HydrophobicContact CD2-CG2 3.84Å; F85-V96 HydrophobicContact CE1-CG2 4.11Å; F85-V96 HydrophobicContact CE2-CG2 3.67Å; F85-V96 HydrophobicContact CG-CG2 4.12Å; F85-V96 HydrophobicContact CZ-CG2 3.81Å; F85-V96 WeakPolarHBondContact O-CG2 3.33Å; F85-P106 HydrophobicContact CE2-CB 4.34Å; F85-I108 HydrophobicContact CB-CD1 4Å; F85-I108 HydrophobicContact CD2-CB 4.43Å; F85-I108 HydrophobicContact CD2-CD1 4.04Å; F85-I108 HydrophobicContact CE2-CB 4.49Å; F85-I108 HydrophobicContact CG-CD1 4.06Å; F85-Y145 HydrophobicContact CD1-CD1 4.14Å; F85-Y145 HydrophobicContact CD1-CE1 4.4Å; F85-Y145 HydrophobicContact CE1-CD1 4.05Å; F85-D148 HydrophobicContact CE1-CB 3.74Å; F85-D148 HydrophobicContact CZ-CB 4.42Å; F85-A150 HydrophobicContact CE2-CB 3.91Å; F85-A150 HydrophobicContact CZ-CB 3.84Å |
| 86 | Y | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -107.6 | -6.7 | 178 | -63.9 | -75.1 | 0 | 0 | 0 | 113.8 | H82 E83 T84 R94 Y145 D148 | H82-Y86 AromaticContact CE1-CD2 3.9Å; H82-Y86 AromaticContact CE1-CE2 3.41Å; H82-Y86 VanDerWaalsContact CE1-CE2 3.41Å; H82-Y86 WeakPolarHBondContact CE1-CE2 3.27Å; H82-Y86 AromaticContact ND1-CE2 3.64Å; H82-Y86 VanDerWaalsContact O-CD2 3.27Å; H82-Y86 WeakPolarHBondContact O-CD2 3.41Å; E83-Y86 PolarHBondContact O-N 3.46Å; T84-Y86 PolarHBondContact O-N 3.43Å; Y86-R94 VanDerWaalsContact CD1-NH2 3.33Å; Y86-Y145 HydrophobicContact CE2-CE1 4.12Å; Y86-D148 HydrophobicContact CE1-CB 4.31Å; Y86-D148 WeakPolarHBondContact CE1-OD2 3.42Å; Y86-D148 PolarHBondContact OH-OD2 3.21Å |
| 87 | Q | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | trans | -62.1 | 152.7 | 173.4 | -84.5 | 173 | -11.5 | 0 | 0 | 112.7 | R57 E83 T84 R94 F95 | R57-Q87 HydrophobicContact CB-CG 4.32Å; R57-Q87 HydrophobicContact CG-CB 4.2Å; R57-Q87 HydrophobicContact CG-CG 4.07Å; E83-Q87 WeakPolarHBondContact O-CG 3.22Å; E83-Q87 PolarHBondContact O-N 2.76Å; E83-Q87 VanDerWaalsContact O-N 3.09Å; E83-Q87 PolarHBondContact OE1-NE2 2.93Å; T84-Q87 PolarHBondContact O-N 3.47Å; Q87-R94 WeakPolarHBondContact O-CA 3.35Å; Q87-F95 HydrophobicContact CB-CD2 3.77Å; Q87-F95 HydrophobicContact CB-CE2 3.56Å; Q87-F95 PolarHBondContact O-N 2.97Å | ||
| 88 | K | 98.7 | Very high | 98.2 | Very high | 116 Ų | 116 | 39.1 Ų | 39.1 | 50% | 0.504 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -116.6 | 147.1 | 179.3 | -65.6 | 172.2 | 174.7 | -173.9 | 0 | 111 | R57 G92 Q93 R94 | R57-K88 WeakPolarHBondContact CD-O 3.25Å; R57-K88 PolarHBondContact NH1-O 3.43Å; K88-G92 WeakPolarHBondContact CD-O 3.18Å; K88-Q93 CarbonylContact C-O 3.6Å; K88-Q93 WeakPolarHBondContact CA-O 3.47Å; K88-Q93 WeakPolarHBondContact CB-O 3.38Å; K88-R94 HydrophobicContact CG-CG 4.06Å |
| 89 | A | 98.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | -71.4 | 168.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L65 N91 G92 Q93 F95 I98 | L65-A89 HydrophobicContact CD1-CB 4.27Å; A89-N91 WeakPolarHBondContact CB-OD1 3.36Å; A89-N91 PolarHBondContact O-N 3.34Å; A89-N91 VanDerWaalsContact O-N 3.12Å; A89-G92 PolarHBondContact O-N 3.32Å; A89-Q93 PolarHBondContact N-O 2.61Å; A89-F95 HydrophobicContact CB-CD1 4.41Å; A89-F95 HydrophobicContact CB-CE1 3.94Å; A89-I98 HydrophobicContact CB-CD1 3.69Å | ||
| 90 | D | 97.8 | Very high | 98.1 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 61% | 0.61 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.8 | -179.3 | -63.1 | -17.2 | 0 | 0 | 0 | 112.6 | R57 Q61 G92 | R57-D90 IonicContact CZ-OD1 2.75Å; R57-D90 IonicContact NH1-OD1 3.05Å; R57-D90 PolarHBondContact NH1-OD1 2.94Å; R57-D90 IonicContact NH2-OD1 2.65Å; R57-D90 PolarHBondContact NH2-OD1 2.94Å; Q61-D90 VanDerWaalsContact NE2-CG 3.25Å; Q61-D90 PolarHBondContact NE2-OD2 3.2Å; Q61-D90 VanDerWaalsContact OE1-CG 3.31Å; Q61-D90 PolarHBondContact OE1-OD1 3.03Å; D90-G92 PolarHBondContact O-N 3.21Å |
| 91 | N | 96.6 | Very high | 98 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.9 | 174.7 | 72.8 | -2.9 | 0 | 0 | 0 | 113.9 | A89 Q93 | A89-N91 WeakPolarHBondContact CB-OD1 3.36Å; A89-N91 PolarHBondContact O-N 3.34Å; A89-N91 VanDerWaalsContact O-N 3.12Å; N91-Q93 VanDerWaalsContact C-N 3.29Å; N91-Q93 PolarHBondContact ND2-OE1 3.3Å; N91-Q93 PolarHBondContact O-N 3.34Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.39Å; N91-Q93 PolarHBondContact OD1-N 2.88Å |
| 92 | G | 98 | Very high | 97.9 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 82.3 | -6.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | K88 A89 D90 | K88-G92 WeakPolarHBondContact CD-O 3.18Å; A89-G92 PolarHBondContact O-N 3.32Å; D90-G92 PolarHBondContact O-N 3.21Å |
| 93 | Q | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | trans | -76.7 | 144.2 | 177.2 | -63.8 | -176.3 | -90.7 | 0 | 0 | 111.3 | K88 A89 N91 I98 Q101 | K88-Q93 CarbonylContact C-O 3.6Å; K88-Q93 WeakPolarHBondContact CA-O 3.47Å; K88-Q93 WeakPolarHBondContact CB-O 3.38Å; A89-Q93 PolarHBondContact N-O 2.61Å; N91-Q93 VanDerWaalsContact C-N 3.29Å; N91-Q93 PolarHBondContact ND2-OE1 3.3Å; N91-Q93 PolarHBondContact O-N 3.34Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.39Å; N91-Q93 PolarHBondContact OD1-N 2.88Å; Q93-I98 HydrophobicContact CB-CD1 4.06Å; Q93-I98 HydrophobicContact CB-CG1 4.04Å; Q93-Q101 VanDerWaalsContact NE2-OE1 3.17Å | ||
| 94 | R | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 16% | 0.158 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 146.5 | 172.3 | -68 | 177.8 | 62.1 | -169.8 | -5.5 | 110.3 | F85 Y86 Q87 K88 V96 E97 I98 | F85-R94 PolarHBondContact O-NH2 2.92Å; Y86-R94 VanDerWaalsContact CD1-NH2 3.33Å; Q87-R94 WeakPolarHBondContact O-CA 3.35Å; K88-R94 HydrophobicContact CG-CG 4.06Å; R94-V96 PolarHBondContact O-N 2.95Å; R94-E97 HydrophobicContact CB-CG 4.09Å; R94-E97 PolarHBondContact N-OE2 3.26Å; R94-E97 WeakPolarHBondContact O-CB 3.49Å; R94-E97 PolarHBondContact O-N 2.88Å; R94-I98 PolarHBondContact O-N 2.86Å; R94-I98 VanDerWaalsContact O-N 3.13Å |
| 95 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -35.1 | 174.3 | -65.1 | -47.1 | 0 | 0 | 0 | 112.7 | R57 R60 Q61 F64 T84 Q87 A89 E97 I98 F99 | R57-F95 HydrophobicContact CG-CE2 4.41Å; R57-F95 HydrophobicContact CG-CZ 4.36Å; R60-F95 HydrophobicContact CB-CE2 3.81Å; R60-F95 HydrophobicContact CB-CZ 4.1Å; Q61-F95 HydrophobicContact CB-CE1 4.06Å; Q61-F95 HydrophobicContact CB-CZ 3.94Å; Q61-F95 HydrophobicContact CG-CE1 4.41Å; F64-F95 HydrophobicContact CB-CD1 4.45Å; F64-F95 HydrophobicContact CD2-CB 3.94Å; F64-F95 AromaticContact CD2-CD1 3.64Å; F64-F95 HydrophobicContact CD2-CD1 3.64Å; F64-F95 AromaticContact CD2-CD2 3.81Å; F64-F95 HydrophobicContact CD2-CD2 3.81Å; F64-F95 HydrophobicContact CD2-CE1 4.01Å; F64-F95 HydrophobicContact CD2-CE2 4.15Å; F64-F95 AromaticContact CD2-CG 3.54Å; F64-F95 HydrophobicContact CD2-CG 3.54Å; F64-F95 HydrophobicContact CD2-CZ 4.26Å; F64-F95 HydrophobicContact CE2-CB 4.14Å; F64-F95 HydrophobicContact CE2-CD1 4.43Å; F64-F95 AromaticContact CE2-CD2 3.79Å; F64-F95 HydrophobicContact CE2-CD2 3.79Å; F64-F95 HydrophobicContact CE2-CE2 4.24Å; F64-F95 AromaticContact CE2-CG 3.89Å; F64-F95 HydrophobicContact CE2-CG 3.89Å; T84-F95 HydrophobicContact CG2-CD2 4.34Å; Q87-F95 HydrophobicContact CB-CD2 3.77Å; Q87-F95 HydrophobicContact CB-CE2 3.56Å; Q87-F95 PolarHBondContact O-N 2.97Å; A89-F95 HydrophobicContact CB-CD1 4.41Å; A89-F95 HydrophobicContact CB-CE1 3.94Å; F95-E97 VanDerWaalsContact C-N 3.33Å; F95-E97 PolarHBondContact O-N 3.16Å; F95-I98 HydrophobicContact CD1-CD1 4.16Å; F95-I98 PolarHBondContact O-N 2.87Å; F95-F99 HydrophobicContact CB-CE2 4.06Å; F95-F99 WeakPolarHBondContact O-CD2 3.41Å; F95-F99 VanDerWaalsContact O-CG 3.28Å; F95-F99 WeakPolarHBondContact O-CG 3.37Å; F95-F99 PolarHBondContact O-N 3.4Å |
| 96 | V | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.6 | -46.8 | 173 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | M80 F85 R94 F99 Q100 P106 | M80-V96 HydrophobicContact CE-CG2 4.05Å; F85-V96 HydrophobicContact CD1-CG2 4.26Å; F85-V96 HydrophobicContact CD2-CG2 3.84Å; F85-V96 HydrophobicContact CE1-CG2 4.11Å; F85-V96 HydrophobicContact CE2-CG2 3.67Å; F85-V96 HydrophobicContact CG-CG2 4.12Å; F85-V96 HydrophobicContact CZ-CG2 3.81Å; F85-V96 WeakPolarHBondContact O-CG2 3.33Å; R94-V96 PolarHBondContact O-N 2.95Å; V96-F99 PolarHBondContact O-N 2.9Å; V96-Q100 VanDerWaalsContact O-CG 3.3Å; V96-Q100 WeakPolarHBondContact O-CG 3.19Å; V96-Q100 PolarHBondContact O-N 3.36Å; V96-P106 HydrophobicContact CG1-CB 4.11Å; V96-P106 HydrophobicContact CG1-CG 3.87Å; V96-P106 HydrophobicContact CG2-CB 4.4Å |
| 97 | E | 98.3 | Very high | 97.9 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 35% | 0.346 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -42 | -179.7 | -65.1 | 160.6 | -176.3 | 0 | 0 | 110.8 | R94 F95 F99 Q100 Q101 | R94-E97 HydrophobicContact CB-CG 4.09Å; R94-E97 PolarHBondContact N-OE2 3.26Å; R94-E97 WeakPolarHBondContact O-CB 3.49Å; R94-E97 PolarHBondContact O-N 2.88Å; F95-E97 VanDerWaalsContact C-N 3.33Å; F95-E97 PolarHBondContact O-N 3.16Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 3.08Å; E97-Q100 PolarHBondContact O-N 2.91Å; E97-Q101 WeakPolarHBondContact O-CB 3.47Å; E97-Q101 VanDerWaalsContact O-CG 3.27Å; E97-Q101 WeakPolarHBondContact O-CG 3.42Å; E97-Q101 PolarHBondContact O-N 3.12Å |
| 98 | I | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.5 | -67.3 | 159.1 | 0 | 0 | 0 | 110.7 | L65 A89 Q93 R94 F95 Q101 R102 | L65-I98 HydrophobicContact CD2-CD1 4.14Å; L65-I98 HydrophobicContact CD2-CG2 3.94Å; A89-I98 HydrophobicContact CB-CD1 3.69Å; Q93-I98 HydrophobicContact CB-CD1 4.06Å; Q93-I98 HydrophobicContact CB-CG1 4.04Å; R94-I98 PolarHBondContact O-N 2.86Å; R94-I98 VanDerWaalsContact O-N 3.13Å; F95-I98 HydrophobicContact CD1-CD1 4.16Å; F95-I98 PolarHBondContact O-N 2.87Å; I98-Q101 PolarHBondContact O-N 2.97Å; I98-R102 VanDerWaalsContact O-CG 3.3Å; I98-R102 WeakPolarHBondContact O-CG 3.33Å; I98-R102 PolarHBondContact O-N 2.82Å; I98-R102 VanDerWaalsContact O-N 3.12Å |
| 99 | F | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 176.3 | -67.1 | -40.9 | 0 | 0 | 0 | 111.9 | F64 W71 V78 M80 F95 V96 E97 Q101 R102 G103 I104 P106 | F64-F99 HydrophobicContact CB-CE1 3.97Å; F64-F99 HydrophobicContact CB-CZ 3.99Å; F64-F99 HydrophobicContact CD1-CE1 4.09Å; F64-F99 AromaticContact CD1-CZ 3.62Å; F64-F99 HydrophobicContact CD1-CZ 3.62Å; F64-F99 HydrophobicContact CD2-CE1 4.29Å; F64-F99 HydrophobicContact CD2-CE2 4.15Å; F64-F99 AromaticContact CD2-CZ 3.47Å; F64-F99 HydrophobicContact CD2-CZ 3.47Å; F64-F99 VanDerWaalsContact CD2-CZ 3.47Å; F64-F99 AromaticContact CE1-CZ 3.85Å; F64-F99 HydrophobicContact CE1-CZ 3.85Å; F64-F99 HydrophobicContact CE2-CE2 4.07Å; F64-F99 AromaticContact CE2-CZ 3.68Å; F64-F99 HydrophobicContact CE2-CZ 3.68Å; F64-F99 AromaticContact CG-CE1 3.87Å; F64-F99 HydrophobicContact CG-CE1 3.87Å; F64-F99 HydrophobicContact CG-CE2 4.49Å; F64-F99 AromaticContact CG-CZ 3.42Å; F64-F99 HydrophobicContact CG-CZ 3.42Å; F64-F99 VanDerWaalsContact CG-CZ 3.42Å; F64-F99 HydrophobicContact CZ-CE2 4.37Å; F64-F99 AromaticContact CZ-CZ 3.86Å; F64-F99 HydrophobicContact CZ-CZ 3.86Å; W71-F99 HydrophobicContact CH2-CE1 4.02Å; W71-F99 HydrophobicContact CZ3-CE1 4.1Å; V78-F99 HydrophobicContact CB-CD2 4.39Å; V78-F99 HydrophobicContact CB-CE1 4.46Å; V78-F99 HydrophobicContact CB-CE2 3.9Å; V78-F99 HydrophobicContact CB-CZ 3.92Å; V78-F99 HydrophobicContact CG1-CE2 4.03Å; V78-F99 HydrophobicContact CG1-CZ 3.91Å; V78-F99 HydrophobicContact CG2-CD1 4.15Å; V78-F99 HydrophobicContact CG2-CD2 4.46Å; V78-F99 HydrophobicContact CG2-CE1 3.7Å; V78-F99 HydrophobicContact CG2-CE2 4.04Å; V78-F99 HydrophobicContact CG2-CZ 3.63Å; M80-F99 HydrophobicContact CE-CD2 3.98Å; M80-F99 HydrophobicContact CE-CE2 3.9Å; M80-F99 HydrophobicContact SD-CD2 4.33Å; M80-F99 HydrophobicContact SD-CE2 3.74Å; F95-F99 HydrophobicContact CB-CE2 4.06Å; F95-F99 WeakPolarHBondContact O-CD2 3.41Å; F95-F99 VanDerWaalsContact O-CG 3.28Å; F95-F99 WeakPolarHBondContact O-CG 3.37Å; F95-F99 PolarHBondContact O-N 3.4Å; V96-F99 PolarHBondContact O-N 2.9Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 3.08Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.27Å; F99-R102 CarbonylContact O-C 3.53Å; F99-R102 WeakPolarHBondContact O-CA 3.49Å; F99-R102 PolarHBondContact O-N 2.88Å; F99-G103 PolarHBondContact O-N 2.75Å; F99-G103 VanDerWaalsContact O-N 3.09Å; F99-I104 CarbonylContact C-O 3.53Å; F99-I104 VanDerWaalsContact C-O 3.25Å; F99-I104 HydrophobicContact CB-CB 3.97Å; F99-I104 HydrophobicContact CB-CG2 4.21Å; F99-I104 HydrophobicContact CD1-CB 4.24Å; F99-I104 HydrophobicContact CD1-CD1 3.96Å; F99-I104 HydrophobicContact CD1-CG2 4.08Å; F99-I104 HydrophobicContact CG-CB 4.44Å; F99-I104 HydrophobicContact CG-CG2 4.28Å; F99-I104 PolarHBondContact O-N 3.23Å; F99-I104 VanDerWaalsContact O-O 3.14Å; F99-P106 HydrophobicContact CB-CG 4.3Å |
| 100 | Q | 97.4 | Very high | 97.8 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.4 | -44 | 177.5 | -71.4 | 168.7 | -18.8 | 0 | 0 | 111.8 | V96 E97 R102 G103 P106 G149 | V96-Q100 VanDerWaalsContact O-CG 3.3Å; V96-Q100 WeakPolarHBondContact O-CG 3.19Å; V96-Q100 PolarHBondContact O-N 3.36Å; E97-Q100 PolarHBondContact O-N 2.91Å; Q100-R102 PolarHBondContact O-N 2.85Å; Q100-G103 PolarHBondContact O-N 3.06Å; Q100-P106 HydrophobicContact CG-CG 3.89Å; Q100-G149 PolarHBondContact NE2-O 3.37Å |
| 101 | Q | 96.5 | Very high | 97.6 | Very high | 137 Ų | 137 | 35.1 Ų | 35.1 | 64% | 0.64 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -60.2 | -31.4 | 175.3 | -72.9 | 171.9 | -1.3 | 0 | 0 | 112.7 | Q93 E97 I98 F99 | Q93-Q101 VanDerWaalsContact NE2-OE1 3.17Å; E97-Q101 WeakPolarHBondContact O-CB 3.47Å; E97-Q101 VanDerWaalsContact O-CG 3.27Å; E97-Q101 WeakPolarHBondContact O-CG 3.42Å; E97-Q101 PolarHBondContact O-N 3.12Å; I98-Q101 PolarHBondContact O-N 2.97Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.27Å |
| 102 | R | 95.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1 | 177.3 | -68.1 | 176.7 | -177 | -148.9 | -2.6 | 113.7 | F64 S66 I98 F99 Q100 I104 | F64-R102 PolarHBondContact O-NH1 3.22Å; S66-R102 PolarHBondContact O-NH1 3.36Å; S66-R102 VanDerWaalsContact O-NH1 3.08Å; I98-R102 VanDerWaalsContact O-CG 3.3Å; I98-R102 WeakPolarHBondContact O-CG 3.33Å; I98-R102 PolarHBondContact O-N 2.82Å; I98-R102 VanDerWaalsContact O-N 3.12Å; F99-R102 CarbonylContact O-C 3.53Å; F99-R102 WeakPolarHBondContact O-CA 3.49Å; F99-R102 PolarHBondContact O-N 2.88Å; Q100-R102 PolarHBondContact O-N 2.85Å; R102-I104 VanDerWaalsContact C-N 3.27Å; R102-I104 HydrophobicContact CB-CD1 3.65Å; R102-I104 HydrophobicContact CB-CG1 4.11Å; R102-I104 PolarHBondContact O-N 3Å |
| 103 | G | 96 | Very high | 96.9 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 62% | 0.619 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 24.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F99 Q100 | F99-G103 PolarHBondContact O-N 2.75Å; F99-G103 VanDerWaalsContact O-N 3.09Å; Q100-G103 PolarHBondContact O-N 3.06Å |
| 104 | I | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 134.1 | 175.7 | -59.3 | 156.2 | 0 | 0 | 0 | 108.1 | W71 V78 F99 R102 P106 | W71-I104 HydrophobicContact CB-CD1 4.17Å; W71-I104 HydrophobicContact CD2-CD1 3.98Å; W71-I104 HydrophobicContact CE3-CD1 3.29Å; W71-I104 HydrophobicContact CE3-CG1 4.15Å; W71-I104 HydrophobicContact CG-CD1 4.37Å; W71-I104 HydrophobicContact CZ3-CD1 3.9Å; W71-I104 HydrophobicContact CZ3-CG2 4.38Å; V78-I104 HydrophobicContact CG2-CG2 3.88Å; F99-I104 CarbonylContact C-O 3.53Å; F99-I104 VanDerWaalsContact C-O 3.25Å; F99-I104 HydrophobicContact CB-CB 3.97Å; F99-I104 HydrophobicContact CB-CG2 4.21Å; F99-I104 HydrophobicContact CD1-CB 4.24Å; F99-I104 HydrophobicContact CD1-CD1 3.96Å; F99-I104 HydrophobicContact CD1-CG2 4.08Å; F99-I104 HydrophobicContact CG-CB 4.44Å; F99-I104 HydrophobicContact CG-CG2 4.28Å; F99-I104 PolarHBondContact O-N 3.23Å; F99-I104 VanDerWaalsContact O-O 3.14Å; R102-I104 VanDerWaalsContact C-N 3.27Å; R102-I104 HydrophobicContact CB-CD1 3.65Å; R102-I104 HydrophobicContact CB-CG1 4.11Å; R102-I104 PolarHBondContact O-N 3Å; I104-P106 WeakPolarHBondContact O-CD 3.4Å |
| 105 | L | 98.7 | Very high | 96.2 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.3 | -176.8 | -61.7 | 167.6 | 0 | 0 | 0 | 110.4 | I19 A22 I23 S76 G77 V78 Q151 F152 | I19-L105 HydrophobicContact CG2-CD1 4.48Å; A22-L105 HydrophobicContact CB-CD1 3.82Å; I23-L105 HydrophobicContact CB-CD1 4.48Å; I23-L105 HydrophobicContact CD1-CD1 4.48Å; I23-L105 HydrophobicContact CG1-CD1 3.48Å; I23-L105 VanDerWaalsContact CG1-CD1 3.48Å; S76-L105 WeakPolarHBondContact O-CB 3.29Å; S76-L105 PolarHBondContact O-N 3.48Å; G77-L105 CarbonylContact C-O 3.25Å; G77-L105 WeakPolarHBondContact CA-O 3.33Å; V78-L105 PolarHBondContact N-O 2.91Å; L105-Q151 HydrophobicContact CB-CB 4.48Å; L105-Q151 HydrophobicContact CD2-CB 4.27Å; L105-Q151 HydrophobicContact CD2-CG 4.01Å; L105-F152 HydrophobicContact CB-CD1 4.2Å; L105-F152 HydrophobicContact CB-CE1 3.82Å; L105-F152 VanDerWaalsContact O-CE1 3.28Å; L105-F152 WeakPolarHBondContact O-CE1 3.31Å |
| 106 | P | 98.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.3 | 172.5 | -16 | 31.6 | 0 | 0 | 0 | 110.5 | M80 F85 V96 F99 Q100 I104 A150 Q151 | M80-P106 HydrophobicContact CE-CB 3.85Å; F85-P106 HydrophobicContact CE2-CB 4.34Å; V96-P106 HydrophobicContact CG1-CB 4.11Å; V96-P106 HydrophobicContact CG1-CG 3.87Å; V96-P106 HydrophobicContact CG2-CB 4.4Å; F99-P106 HydrophobicContact CB-CG 4.3Å; Q100-P106 HydrophobicContact CG-CG 3.89Å; I104-P106 WeakPolarHBondContact O-CD 3.4Å; P106-A150 CarbonylContact O-C 3.59Å; P106-A150 WeakPolarHBondContact O-CA 3.18Å; P106-Q151 PolarHBondContact O-N 3.36Å |
| 107 | G | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V78 M80 F152 | V78-G107 CarbonylContact O-C 3.06Å; V78-G107 VanDerWaalsContact O-CA 3.31Å; V78-G107 WeakPolarHBondContact O-CA 3.26Å; V78-G107 PolarHBondContact O-N 2.94Å; M80-G107 PolarHBondContact N-O 3.03Å; G107-F152 VanDerWaalsContact CA-O 3.26Å; G107-F152 WeakPolarHBondContact CA-O 3.4Å |
| 108 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134 | -175.5 | -176.4 | 67.5 | 0 | 0 | 0 | 111.7 | F85 V110 Y145 A150 F152 A153 K154 | F85-I108 HydrophobicContact CB-CD1 4Å; F85-I108 HydrophobicContact CD2-CB 4.43Å; F85-I108 HydrophobicContact CD2-CD1 4.04Å; F85-I108 HydrophobicContact CE2-CB 4.49Å; F85-I108 HydrophobicContact CG-CD1 4.06Å; I108-V110 HydrophobicContact CG1-CG1 4.16Å; I108-V110 HydrophobicContact CG2-CG1 3.92Å; I108-Y145 HydrophobicContact CB-CG 4.4Å; I108-Y145 HydrophobicContact CD1-CD1 4.17Å; I108-Y145 HydrophobicContact CD1-CE1 3.77Å; I108-Y145 HydrophobicContact CD1-CE2 4.49Å; I108-Y145 HydrophobicContact CG1-CD1 3.86Å; I108-Y145 HydrophobicContact CG1-CD2 3.86Å; I108-Y145 HydrophobicContact CG1-CE1 3.79Å; I108-Y145 HydrophobicContact CG1-CE2 3.79Å; I108-Y145 HydrophobicContact CG1-CG 3.91Å; I108-Y145 HydrophobicContact CG2-CD2 4.1Å; I108-Y145 HydrophobicContact CG2-CG 4.05Å; I108-A150 HydrophobicContact CB-CB 4.48Å; I108-A150 HydrophobicContact CG2-CB 3.95Å; I108-F152 PolarHBondContact N-O 3.08Å; I108-F152 VanDerWaalsContact N-O 3.08Å; I108-A153 HydrophobicContact CG2-CB 4.23Å; I108-A153 CarbonylContact O-C 2.82Å; I108-A153 VanDerWaalsContact O-CA 3.23Å; I108-A153 WeakPolarHBondContact O-CA 3.26Å; I108-K154 PolarHBondContact O-N 3.2Å |
| 109 | K | 97.2 | Very high | 95 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.2 | 165.8 | 178.3 | -174.7 | 175.2 | -175.8 | 0 | 109.1 | D34 I79 M80 D111 | D34-K109 HydrophobicContact CB-CB 3.8Å; D34-K109 HydrophobicContact CB-CD 4.11Å; I79-K109 HydrophobicContact CG2-CB 4.15Å; M80-K109 PolarHBondContact O-N 3.02Å; K109-D111 WeakPolarHBondContact CE-OD1 3.33Å; K109-D111 WeakPolarHBondContact CE-OD2 3.23Å; K109-D111 WeakPolarHBondContact CG-OD2 3.38Å; K109-D111 IonicContact NZ-OD1 3.23Å |
| 110 | V | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | trans | -113.5 | -11.4 | -176.2 | -68.8 | 0 | 0 | 0 | 0 | 113.8 | I108 L138 R141 Y145 A153 K154 W155 Y181 | I108-V110 HydrophobicContact CG1-CG1 4.16Å; I108-V110 HydrophobicContact CG2-CG1 3.92Å; V110-L138 HydrophobicContact CB-CD1 3.82Å; V110-L138 HydrophobicContact CG1-CD1 4.38Å; V110-L138 HydrophobicContact CG2-CD1 4.03Å; V110-R141 PolarHBondContact O-NH1 3.46Å; V110-R141 PolarHBondContact O-NH2 3.3Å; V110-Y145 HydrophobicContact CG1-CD2 4.01Å; V110-Y145 HydrophobicContact CG1-CE2 3.99Å; V110-A153 HydrophobicContact CG1-CB 4.33Å; V110-A153 HydrophobicContact CG2-CB 4.08Å; V110-K154 WeakPolarHBondContact CG2-O 3.46Å; V110-K154 PolarHBondContact N-O 3.31Å; V110-K154 VanDerWaalsContact N-O 3.08Å; V110-W155 HydrophobicContact CG2-CE3 3.8Å; V110-W155 HydrophobicContact CG2-CZ3 4.44Å; V110-Y181 HydrophobicContact CG2-CD2 3.96Å; V110-Y181 HydrophobicContact CG2-CE2 3.58Å | ||
| 111 | D | 93.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | trans | -68.4 | 144.9 | 170.1 | 71.2 | 86.4 | 0 | 0 | 0 | 111.8 | K109 G113 T126 W155 R156 | K109-D111 WeakPolarHBondContact CE-OD1 3.33Å; K109-D111 WeakPolarHBondContact CE-OD2 3.23Å; K109-D111 WeakPolarHBondContact CG-OD2 3.38Å; K109-D111 IonicContact NZ-OD1 3.23Å; D111-G113 PolarHBondContact OD1-N 2.53Å; D111-T126 HydrophobicContact CB-CG2 3.64Å; D111-W155 HydrophobicContact CB-CD2 3.71Å; D111-W155 HydrophobicContact CB-CE3 4.19Å; D111-W155 HydrophobicContact CB-CG 3.88Å; D111-W155 HydrophobicContact CB-CZ2 4.36Å; D111-R156 PolarHBondContact OD2-N 3.24Å | ||
| 112 | K | 90.9 | Very high | 94.5 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | trans | -97.5 | 15.3 | 179.6 | -63.3 | -177 | -178.5 | 167.5 | 0 | 113 | Q127 T133 D137 | K112-Q127 HydrophobicContact CB-CB 4.14Å; K112-Q127 PolarHBondContact O-OE1 2.7Å; K112-T133 PolarHBondContact NZ-O 2.99Å; K112-D137 VanDerWaalsContact NZ-CG 3.25Å; K112-D137 IonicContact NZ-OD1 2.58Å; K112-D137 PolarHBondContact NZ-OD1 3.05Å; K112-D137 IonicContact NZ-OD2 2.64Å; K112-D137 PolarHBondContact NZ-OD2 3.14Å | ||
| 113 | G | 90.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | trans | 99.9 | 170 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D111 T126 Q127 | D111-G113 PolarHBondContact OD1-N 2.53Å; G113-T126 WeakPolarHBondContact O-CA 3.28Å; G113-T126 VanDerWaalsContact O-CG2 3.32Å; G113-T126 WeakPolarHBondContact O-CG2 3.3Å; G113-Q127 PolarHBondContact O-N 2.89Å | ||
| 114 | V | 91.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.5 | -174.6 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | A124 T125 V158 | V114-A124 HydrophobicContact CG1-CB 3.38Å; V114-T125 CarbonylContact C-O 3.58Å; V114-T125 WeakPolarHBondContact CA-O 3.34Å; V114-V158 HydrophobicContact CB-CG2 4.41Å; V114-V158 HydrophobicContact CG1-CG2 3.55Å; V114-V158 HydrophobicContact CG2-CG1 4.04Å; V114-V158 HydrophobicContact CG2-CG2 3.93Å |
| 115 | V | 90.7 | Very high | 94 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.1 | 176.5 | -71.8 | 0 | 0 | 0 | 0 | 111.3 | M117 A124 T125 Q127 | V115-M117 PolarHBondContact O-N 2.9Å; V115-A124 CarbonylContact O-C 3.54Å; V115-A124 VanDerWaalsContact O-CA 3.22Å; V115-A124 WeakPolarHBondContact O-CA 3.32Å; V115-A124 VanDerWaalsContact O-CB 3.25Å; V115-A124 WeakPolarHBondContact O-CB 3.26Å; V115-T125 HydrophobicContact CG2-CG2 3.84Å; V115-T125 PolarHBondContact N-O 2.59Å; V115-T125 PolarHBondContact O-N 3.11Å; V115-T125 VanDerWaalsContact O-O 3.05Å; V115-Q127 HydrophobicContact CB-CG 4.43Å; V115-Q127 HydrophobicContact CG1-CG 3.45Å; V115-Q127 VanDerWaalsContact CG1-CG 3.45Å; V115-Q127 HydrophobicContact CG2-CG 4.12Å |
| 116 | P | 92.3 | Very high | 93.6 | Very high | 116 Ų | 116 | 38.7 Ų | 38.7 | 75% | 0.753 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 138.5 | 173.5 | -23.7 | 34 | 0 | 0 | 0 | 111.8 | ||
| 117 | M | 91.5 | Very high | 92.5 | Very high | 32 Ų | 32 | 41 Ų | 41 | 16% | 0.158 | 26% | 0.264 | C | S | . | . | trans | -93.1 | 106.5 | 175.4 | -170.6 | 175.6 | -174.5 | 0 | 0 | 109.2 | V115 T120 E123 V169 N170 E173 | V115-M117 PolarHBondContact O-N 2.9Å; M117-T120 HydrophobicContact CB-CG2 4.14Å; M117-T120 HydrophobicContact CE-CG2 4.42Å; M117-T120 HydrophobicContact CG-CG2 3.73Å; M117-T120 PolarHBondContact O-N 3.08Å; M117-T120 PolarHBondContact O-OG1 2.84Å; M117-T120 HydrophobicContact SD-CG2 3.82Å; M117-E123 PolarHBondContact N-O 2.81Å; M117-V169 HydrophobicContact CE-CG1 3.21Å; M117-V169 HydrophobicContact SD-CG1 4.17Å; M117-N170 HydrophobicContact SD-CB 4.27Å; M117-E173 HydrophobicContact CE-CB 3.65Å; M117-E173 HydrophobicContact CE-CG 3.82Å; M117-E173 HydrophobicContact SD-CB 4.35Å; M117-E173 HydrophobicContact SD-CG 4.42Å | ||
| 118 | A | 90.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 41.7 Ų | 41.7 | 78% | 0.777 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 143.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T120 | A118-T120 VanDerWaalsContact C-N 3.26Å; A118-T120 PolarHBondContact O-N 2.9Å |
| 119 | G | 92.8 | Very high | 87.5 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 96% | 0.959 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 5.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 120 | T | 94.8 | Very high | 85.1 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.202 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -112.9 | 166.9 | 177.4 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | M117 A118 N122 E123 V169 | M117-T120 HydrophobicContact CB-CG2 4.14Å; M117-T120 HydrophobicContact CE-CG2 4.42Å; M117-T120 HydrophobicContact CG-CG2 3.73Å; M117-T120 PolarHBondContact O-N 3.08Å; M117-T120 PolarHBondContact O-OG1 2.84Å; M117-T120 HydrophobicContact SD-CG2 3.82Å; A118-T120 VanDerWaalsContact C-N 3.26Å; A118-T120 PolarHBondContact O-N 2.9Å; T120-N122 PolarHBondContact O-N 3.04Å; T120-E123 WeakPolarHBondContact CB-OE2 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.08Å; T120-V169 HydrophobicContact CG2-CG1 4.22Å |
| 121 | V | 94.9 | Very high | 82.6 | Confident | 91 Ų | 91 | 62 Ų | 62 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -86.1 | 88.9 | 179.6 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | E123 T165 | V121-E123 WeakPolarHBondContact O-CG 3.48Å; V121-E123 PolarHBondContact O-N 3.15Å; V121-T165 HydrophobicContact CB-CG2 4.17Å |
| 122 | N | 93.1 | Very high | 80.4 | Confident | 133 Ų | 133 | 68 Ų | 68 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 55.8 | 23.5 | 177.2 | -63.3 | -42 | 0 | 0 | 0 | 114.8 | T120 K160 | T120-N122 PolarHBondContact O-N 3.04Å; N122-K160 WeakPolarHBondContact O-CD 3.28Å; N122-K160 PolarHBondContact O-NZ 3.05Å |
| 123 | E | 94.8 | Very high | 78.4 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 3% | 0.033 | 39% | 0.393 | C | S | . | . | trans | -88.9 | 170.2 | 178.4 | -43.4 | -173.7 | 92.4 | 0 | 0 | 110.8 | M117 T120 V121 T165 P166 S167 N170 | M117-E123 PolarHBondContact N-O 2.81Å; T120-E123 WeakPolarHBondContact CB-OE2 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.08Å; V121-E123 WeakPolarHBondContact O-CG 3.48Å; V121-E123 PolarHBondContact O-N 3.15Å; E123-T165 HydrophobicContact CG-CG2 3.74Å; E123-P166 VanDerWaalsContact OE1-CA 3.23Å; E123-P166 WeakPolarHBondContact OE1-CA 3.26Å; E123-S167 PolarHBondContact OE1-N 2.9Å; E123-S167 PolarHBondContact OE1-OG 3.12Å; E123-S167 WeakPolarHBondContact OE2-CB 3.42Å; E123-S167 PolarHBondContact OE2-OG 3.29Å; E123-N170 HydrophobicContact CB-CB 4.21Å; E123-N170 VanDerWaalsContact CD-CB 3.47Å; E123-N170 HydrophobicContact CG-CB 4.45Å; E123-N170 WeakPolarHBondContact OE1-CB 3.43Å | ||
| 124 | A | 93.2 | Very high | 77.4 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 7% | 0.066 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V114 V115 V158 N170 | V114-A124 HydrophobicContact CG1-CB 3.38Å; V115-A124 CarbonylContact O-C 3.54Å; V115-A124 VanDerWaalsContact O-CA 3.22Å; V115-A124 WeakPolarHBondContact O-CA 3.32Å; V115-A124 VanDerWaalsContact O-CB 3.25Å; V115-A124 WeakPolarHBondContact O-CB 3.26Å; A124-V158 HydrophobicContact CB-CG2 4.08Å; A124-N170 PolarHBondContact O-ND2 2.74Å |
| 125 | T | 91.3 | Very high | 77.1 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 176.3 | 163.2 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | V114 V115 | V114-T125 CarbonylContact C-O 3.58Å; V114-T125 WeakPolarHBondContact CA-O 3.34Å; V115-T125 HydrophobicContact CG2-CG2 3.84Å; V115-T125 PolarHBondContact N-O 2.59Å; V115-T125 PolarHBondContact O-N 3.11Å; V115-T125 VanDerWaalsContact O-O 3.05Å |
| 126 | T | 89.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.1 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 108.6 | D111 G113 G128 W155 R156 C157 | D111-T126 HydrophobicContact CB-CG2 3.64Å; G113-T126 WeakPolarHBondContact O-CA 3.28Å; G113-T126 VanDerWaalsContact O-CG2 3.32Å; G113-T126 WeakPolarHBondContact O-CG2 3.3Å; T126-G128 PolarHBondContact O-N 3.09Å; T126-W155 HydrophobicContact CG2-CZ2 4.2Å; T126-R156 VanDerWaalsContact CB-O 3.24Å; T126-R156 WeakPolarHBondContact CB-O 3.14Å; T126-R156 WeakPolarHBondContact CG2-O 3.44Å; T126-R156 PolarHBondContact OG1-O 3.05Å; T126-C157 WeakPolarHBondContact OG1-CA 3.41Å |
| 127 | Q | 77 | Confident | 76.9 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 23% | 0.229 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -44.9 | 112.2 | -168.9 | -75.5 | -171.7 | -6.1 | 0 | 0 | 112.9 | K112 G113 V115 G134 W155 | K112-Q127 HydrophobicContact CB-CB 4.14Å; K112-Q127 PolarHBondContact O-OE1 2.7Å; G113-Q127 PolarHBondContact O-N 2.89Å; V115-Q127 HydrophobicContact CB-CG 4.43Å; V115-Q127 HydrophobicContact CG1-CG 3.45Å; V115-Q127 VanDerWaalsContact CG1-CG 3.45Å; V115-Q127 HydrophobicContact CG2-CG 4.12Å; Q127-G134 WeakPolarHBondContact O-CA 3.31Å; Q127-W155 WeakPolarHBondContact O-CH2 3.39Å; Q127-W155 WeakPolarHBondContact O-CZ2 3.32Å |
| 128 | G | 56.2 | Low | 77 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | trans | -153.9 | 16.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112 | T126 | T126-G128 PolarHBondContact O-N 3.09Š| ||
| 129 | W | 35.3 | Very low | 77.3 | Confident | 208 Ų | 208 | 62.3 Ų | 62.3 | 79% | 0.788 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -135.9 | 136.6 | -172.3 | -168.6 | 85.2 | 0 | 0 | 0 | 112.4 | ||
| 130 | G | 47 | Very low | 77.4 | Confident | 44 Ų | 44 | 61 Ų | 61 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 89 | -169.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H132 | G130-H132 PolarHBondContact O-N 2.98Š|
| 131 | E | 43.1 | Very low | 77.5 | Confident | 189 Ų | 189 | 61.4 Ų | 61.4 | 88% | 0.883 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -61.9 | 2.1 | 178.5 | -68.3 | -175.5 | 168.9 | 0 | 0 | 114.4 | ||
| 132 | H | 47.9 | Very low | 77.7 | Confident | 133 Ų | 133 | 57 Ų | 57 | 62% | 0.616 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -117.5 | 79.4 | 176.7 | -59.5 | -34.2 | 0 | 0 | 0 | 109.3 | G130 G134 | G130-H132 PolarHBondContact O-N 2.98Å; H132-G134 PolarHBondContact O-N 3.37Å |
| 133 | T | 48.9 | Very low | 77.9 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | trans | -77.2 | 91.5 | -166 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | K112 D136 | K112-T133 PolarHBondContact NZ-O 2.99Å; T133-D136 WeakPolarHBondContact CB-OD2 3.33Å; T133-D136 HydrophobicContact CG2-CB 4.06Å; T133-D136 WeakPolarHBondContact CG2-OD2 3.04Å | ||
| 134 | G | 68.2 | Low | 78.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -34.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q127 H132 R141 | Q127-G134 WeakPolarHBondContact O-CA 3.31Å; H132-G134 PolarHBondContact O-N 3.37Å; G134-R141 PolarHBondContact O-NH2 2.81Å |
| 135 | L | 85.2 | Confident | 78.4 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -29.4 | 179.4 | -69.5 | 177 | 0 | 0 | 0 | 113.3 | D137 L138 W155 R180 | L135-D137 PolarHBondContact O-N 3.42Å; L135-L138 HydrophobicContact CD2-CD2 3.71Å; L135-L138 VanDerWaalsContact O-CB 3.22Å; L135-L138 WeakPolarHBondContact O-CB 3.29Å; L135-L138 PolarHBondContact O-N 3.41Å; L135-L138 VanDerWaalsContact O-N 3.12Å; L135-W155 HydrophobicContact CD2-CH2 3.65Å; L135-W155 HydrophobicContact CD2-CZ2 4.1Å; L135-W155 HydrophobicContact CD2-CZ3 3.97Å; L135-W155 HydrophobicContact CG-CH2 4.13Å; L135-W155 HydrophobicContact CG-CZ2 4.45Å; L135-R180 HydrophobicContact CD1-CB 4.22Å |
| 136 | D | 87.1 | Confident | 78.7 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 59% | 0.588 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -32.3 | -170.3 | -48.1 | -21.5 | 0 | 0 | 0 | 112.9 | T133 | T133-D136 WeakPolarHBondContact CB-OD2 3.33Å; T133-D136 HydrophobicContact CG2-CB 4.06Å; T133-D136 WeakPolarHBondContact CG2-OD2 3.04Å |
| 137 | D | 91.5 | Very high | 79.1 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.7 | 172.2 | 75.3 | -11.5 | 0 | 0 | 0 | 113.1 | K112 L135 D139 A140 R141 | K112-D137 VanDerWaalsContact NZ-CG 3.25Å; K112-D137 IonicContact NZ-OD1 2.58Å; K112-D137 PolarHBondContact NZ-OD1 3.05Å; K112-D137 IonicContact NZ-OD2 2.64Å; K112-D137 PolarHBondContact NZ-OD2 3.14Å; L135-D137 PolarHBondContact O-N 3.42Å; D137-D139 VanDerWaalsContact C-N 3.34Å; D137-D139 PolarHBondContact O-N 2.86Å; D137-A140 PolarHBondContact O-N 2.96Å; D137-R141 VanDerWaalsContact CG-NE 3.29Å; D137-R141 WeakPolarHBondContact O-CG 3.43Å; D137-R141 PolarHBondContact O-N 3.06Å; D137-R141 IonicContact OD1-CZ 3.46Å; D137-R141 IonicContact OD1-NE 3.58Å; D137-R141 PolarHBondContact OD1-NE 3.27Å; D137-R141 IonicContact OD1-NH2 2.61Å; D137-R141 PolarHBondContact OD1-NH2 2.73Å; D137-R141 WeakPolarHBondContact OD2-CD 3.17Å; D137-R141 IonicContact OD2-NE 3.52Å; D137-R141 PolarHBondContact OD2-NE 3.26Å |
| 138 | L | 94.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | -171.6 | 179.3 | 61 | 0 | 0 | 0 | 111.9 | V110 L135 R141 C142 W155 Y181 I184 | V110-L138 HydrophobicContact CB-CD1 3.82Å; V110-L138 HydrophobicContact CG1-CD1 4.38Å; V110-L138 HydrophobicContact CG2-CD1 4.03Å; L135-L138 HydrophobicContact CD2-CD2 3.71Å; L135-L138 VanDerWaalsContact O-CB 3.22Å; L135-L138 WeakPolarHBondContact O-CB 3.29Å; L135-L138 PolarHBondContact O-N 3.41Å; L135-L138 VanDerWaalsContact O-N 3.12Å; L138-R141 PolarHBondContact O-N 3.32Å; L138-C142 VanDerWaalsContact CD1-SG 3.56Å; L138-C142 WeakPolarHBondContact O-CB 3.36Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 2.98Å; L138-C142 VanDerWaalsContact O-SG 3.39Å; L138-W155 HydrophobicContact CD1-CZ3 4.01Å; L138-W155 HydrophobicContact CD2-CE3 4.21Å; L138-W155 HydrophobicContact CD2-CZ3 3.79Å; L138-W155 HydrophobicContact CG-CZ3 4.42Å; L138-Y181 HydrophobicContact CD2-CD2 4.15Å; L138-I184 HydrophobicContact CB-CD1 4.39Å; L138-I184 HydrophobicContact CB-CG2 4.26Å; L138-I184 HydrophobicContact CD2-CB 4.07Å; L138-I184 HydrophobicContact CD2-CD1 3.94Å; L138-I184 HydrophobicContact CD2-CG2 4Å; L138-I184 HydrophobicContact CG-CB 4.4Å; L138-I184 HydrophobicContact CG-CD1 4.48Å; L138-I184 HydrophobicContact CG-CG2 3.77Å |
| 139 | D | 95.9 | Very high | 82.2 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.4 | -52.8 | -179.7 | -176.8 | 67 | 0 | 0 | 0 | 111.5 | D137 R141 C142 A143 I184 N188 | D137-D139 VanDerWaalsContact C-N 3.34Å; D137-D139 PolarHBondContact O-N 2.86Å; D139-R141 VanDerWaalsContact C-N 3.31Å; D139-R141 PolarHBondContact O-N 3.5Å; D139-C142 PolarHBondContact O-N 3.21Å; D139-C142 VanDerWaalsContact O-N 3.17Å; D139-A143 PolarHBondContact O-N 3.4Å; D139-I184 HydrophobicContact CB-CG2 3.96Å; D139-N188 PolarHBondContact OD1-ND2 3.18Å |
| 140 | A | 96.4 | Very high | 85.2 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 55% | 0.554 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.1 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D137 Q144 | D137-A140 PolarHBondContact O-N 2.96Å; A140-Q144 WeakPolarHBondContact O-CB 3.44Å; A140-Q144 PolarHBondContact O-N 3.47Å |
| 141 | R | 96.5 | Very high | 87.7 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 15% | 0.151 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 176 | -70.3 | -172.3 | -59.3 | 122.4 | -3 | 111.8 | V110 G134 D137 L138 D139 Q144 Y145 | V110-R141 PolarHBondContact O-NH1 3.46Å; V110-R141 PolarHBondContact O-NH2 3.3Å; G134-R141 PolarHBondContact O-NH2 2.81Å; D137-R141 VanDerWaalsContact CG-NE 3.29Å; D137-R141 WeakPolarHBondContact O-CG 3.43Å; D137-R141 PolarHBondContact O-N 3.06Å; D137-R141 IonicContact OD1-CZ 3.46Å; D137-R141 IonicContact OD1-NE 3.58Å; D137-R141 PolarHBondContact OD1-NE 3.27Å; D137-R141 IonicContact OD1-NH2 2.61Å; D137-R141 PolarHBondContact OD1-NH2 2.73Å; D137-R141 WeakPolarHBondContact OD2-CD 3.17Å; D137-R141 IonicContact OD2-NE 3.52Å; D137-R141 PolarHBondContact OD2-NE 3.26Å; L138-R141 PolarHBondContact O-N 3.32Å; D139-R141 VanDerWaalsContact C-N 3.31Å; D139-R141 PolarHBondContact O-N 3.5Å; R141-Q144 PolarHBondContact O-N 3.45Å; R141-Y145 HydrophobicContact CB-CD2 4.34Å; R141-Y145 HydrophobicContact CB-CE2 4.07Å; R141-Y145 WeakPolarHBondContact O-CD2 3.33Å; R141-Y145 PolarHBondContact O-N 2.64Å |
| 142 | C | 98.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.1 | -78.9 | 0 | 0 | 0 | 0 | 111.6 | L138 D139 Q144 Y145 K146 C185 N188 L190 | L138-C142 VanDerWaalsContact CD1-SG 3.56Å; L138-C142 WeakPolarHBondContact O-CB 3.36Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 2.98Å; L138-C142 VanDerWaalsContact O-SG 3.39Å; D139-C142 PolarHBondContact O-N 3.21Å; D139-C142 VanDerWaalsContact O-N 3.17Å; C142-Q144 VanDerWaalsContact C-N 3.33Å; C142-Q144 PolarHBondContact O-N 3.04Å; C142-Y145 PolarHBondContact O-N 3.21Å; C142-K146 WeakPolarHBondContact O-CB 3.45Å; C142-K146 PolarHBondContact O-N 3.37Å; C142-C185 VanDerWaalsContact SG-SG 3.63Å; C142-N188 HydrophobicContact CB-CB 3.72Å; C142-L190 HydrophobicContact CB-CD1 3.93Å |
| 143 | A | 98.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.8 | -47.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D139 K146 K147 N188 | D139-A143 PolarHBondContact O-N 3.4Å; A143-K146 PolarHBondContact O-N 3.21Å; A143-K147 WeakPolarHBondContact O-CB 3.27Å; A143-K147 PolarHBondContact O-N 3.18Å; A143-N188 VanDerWaalsContact CA-OD1 3.27Å; A143-N188 WeakPolarHBondContact CA-OD1 3.33Å; A143-N188 VanDerWaalsContact CB-OD1 3.26Å; A143-N188 WeakPolarHBondContact CB-OD1 3.5Å; A143-N188 PolarHBondContact N-OD1 3.46Å |
| 144 | Q | 98.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 37.7 Ų | 37.7 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 179.1 | -173.5 | 57.3 | 50.2 | 0 | 0 | 111.9 | A140 R141 C142 K146 K147 D148 | A140-Q144 WeakPolarHBondContact O-CB 3.44Å; A140-Q144 PolarHBondContact O-N 3.47Å; R141-Q144 PolarHBondContact O-N 3.45Å; C142-Q144 VanDerWaalsContact C-N 3.33Å; C142-Q144 PolarHBondContact O-N 3.04Å; Q144-K146 PolarHBondContact O-N 3.05Å; Q144-K147 WeakPolarHBondContact O-CB 3.4Å; Q144-K147 PolarHBondContact O-N 2.76Å; Q144-D148 PolarHBondContact NE2-OD1 3.34Å; Q144-D148 PolarHBondContact NE2-OD2 2.77Å; Q144-D148 WeakPolarHBondContact O-CB 3.4Å; Q144-D148 VanDerWaalsContact O-CG 3.23Å; Q144-D148 PolarHBondContact O-N 3.41Å |
| 145 | Y | 98.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 178 | -71 | -52.7 | 0 | 0 | 0 | 113 | H82 F85 Y86 I108 V110 R141 C142 D148 G149 A150 | H82-Y145 AromaticContact ND1-CE1 3.8Å; H82-Y145 AromaticContact ND1-CZ 3.74Å; H82-Y145 PolarHBondContact ND1-OH 2.84Å; F85-Y145 HydrophobicContact CD1-CD1 4.14Å; F85-Y145 HydrophobicContact CD1-CE1 4.4Å; F85-Y145 HydrophobicContact CE1-CD1 4.05Å; Y86-Y145 HydrophobicContact CE2-CE1 4.12Å; I108-Y145 HydrophobicContact CB-CG 4.4Å; I108-Y145 HydrophobicContact CD1-CD1 4.17Å; I108-Y145 HydrophobicContact CD1-CE1 3.77Å; I108-Y145 HydrophobicContact CD1-CE2 4.49Å; I108-Y145 HydrophobicContact CG1-CD1 3.86Å; I108-Y145 HydrophobicContact CG1-CD2 3.86Å; I108-Y145 HydrophobicContact CG1-CE1 3.79Å; I108-Y145 HydrophobicContact CG1-CE2 3.79Å; I108-Y145 HydrophobicContact CG1-CG 3.91Å; I108-Y145 HydrophobicContact CG2-CD2 4.1Å; I108-Y145 HydrophobicContact CG2-CG 4.05Å; V110-Y145 HydrophobicContact CG1-CD2 4.01Å; V110-Y145 HydrophobicContact CG1-CE2 3.99Å; R141-Y145 HydrophobicContact CB-CD2 4.34Å; R141-Y145 HydrophobicContact CB-CE2 4.07Å; R141-Y145 WeakPolarHBondContact O-CD2 3.33Å; R141-Y145 PolarHBondContact O-N 2.64Å; C142-Y145 PolarHBondContact O-N 3.21Å; Y145-D148 CarbonylContact O-C 3.43Å; Y145-D148 PolarHBondContact O-N 3.3Å; Y145-G149 PolarHBondContact O-N 2.81Å; Y145-G149 VanDerWaalsContact O-N 3.13Å; Y145-A150 VanDerWaalsContact O-CB 3.25Å; Y145-A150 WeakPolarHBondContact O-CB 3.41Å; Y145-A150 PolarHBondContact O-N 2.85Å |
| 146 | K | 98.7 | Very high | 97 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 18% | 0.183 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 173.5 | 179.8 | 65.2 | 175.2 | -169.4 | 0 | 110.6 | E15 C142 A143 Q144 D148 G149 A150 Q151 N188 G189 L190 | E15-K146 VanDerWaalsContact OE1-CE 3.25Å; E15-K146 WeakPolarHBondContact OE1-CE 3.36Å; E15-K146 IonicContact OE1-NZ 3.43Å; E15-K146 PolarHBondContact OE1-NZ 3.27Å; C142-K146 WeakPolarHBondContact O-CB 3.45Å; C142-K146 PolarHBondContact O-N 3.37Å; A143-K146 PolarHBondContact O-N 3.21Å; Q144-K146 PolarHBondContact O-N 3.05Å; K146-D148 PolarHBondContact O-N 3.09Å; K146-G149 PolarHBondContact O-N 2.94Å; K146-G149 VanDerWaalsContact O-N 3.08Å; K146-A150 WeakPolarHBondContact CD-O 3.34Å; K146-Q151 VanDerWaalsContact NZ-OE1 3.16Å; K146-N188 VanDerWaalsContact CG-O 3.29Å; K146-N188 WeakPolarHBondContact CG-O 3.49Å; K146-G189 WeakPolarHBondContact CE-O 3.35Å; K146-G189 PolarHBondContact NZ-O 3.32Å; K146-L190 HydrophobicContact CB-CD2 4.1Å; K146-L190 HydrophobicContact CB-CG 4.27Å; K146-L190 HydrophobicContact CD-CD2 3.84Å; K146-L190 HydrophobicContact CD-CG 4.45Å |
| 147 | K | 98.6 | Very high | 97.4 | Very high | 166 Ų | 166 | 32.2 Ų | 32.2 | 72% | 0.722 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -57.2 | -37.9 | 175.8 | -177.5 | -178.2 | 177.3 | -177 | 0 | 112 | A143 Q144 G149 | A143-K147 WeakPolarHBondContact O-CB 3.27Å; A143-K147 PolarHBondContact O-N 3.18Å; Q144-K147 WeakPolarHBondContact O-CB 3.4Å; Q144-K147 PolarHBondContact O-N 2.76Å; K147-G149 VanDerWaalsContact C-N 3.27Å; K147-G149 PolarHBondContact O-N 3.5Å |
| 148 | D | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 18% | 0.176 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 5 | -179.2 | -65.4 | -21.7 | 0 | 0 | 0 | 114 | F85 Y86 Q144 Y145 K146 | F85-D148 HydrophobicContact CE1-CB 3.74Å; F85-D148 HydrophobicContact CZ-CB 4.42Å; Y86-D148 HydrophobicContact CE1-CB 4.31Å; Y86-D148 WeakPolarHBondContact CE1-OD2 3.42Å; Y86-D148 PolarHBondContact OH-OD2 3.21Å; Q144-D148 PolarHBondContact NE2-OD1 3.34Å; Q144-D148 PolarHBondContact NE2-OD2 2.77Å; Q144-D148 WeakPolarHBondContact O-CB 3.4Å; Q144-D148 VanDerWaalsContact O-CG 3.23Å; Q144-D148 PolarHBondContact O-N 3.41Å; Y145-D148 CarbonylContact O-C 3.43Å; Y145-D148 PolarHBondContact O-N 3.3Å; K146-D148 PolarHBondContact O-N 3.09Å |
| 149 | G | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.9 | -1.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q100 Y145 K146 K147 Q151 | Q100-G149 PolarHBondContact NE2-O 3.37Å; Y145-G149 PolarHBondContact O-N 2.81Å; Y145-G149 VanDerWaalsContact O-N 3.13Å; K146-G149 PolarHBondContact O-N 2.94Å; K146-G149 VanDerWaalsContact O-N 3.08Å; K147-G149 VanDerWaalsContact C-N 3.27Å; K147-G149 PolarHBondContact O-N 3.5Å; G149-Q151 PolarHBondContact O-NE2 3.43Å |
| 150 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -65.1 | 142.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F85 P106 I108 Y145 K146 L190 | F85-A150 HydrophobicContact CE2-CB 3.91Å; F85-A150 HydrophobicContact CZ-CB 3.84Å; P106-A150 CarbonylContact O-C 3.59Å; P106-A150 WeakPolarHBondContact O-CA 3.18Å; I108-A150 HydrophobicContact CB-CB 4.48Å; I108-A150 HydrophobicContact CG2-CB 3.95Å; Y145-A150 VanDerWaalsContact O-CB 3.25Å; Y145-A150 WeakPolarHBondContact O-CB 3.41Å; Y145-A150 PolarHBondContact O-N 2.85Å; K146-A150 WeakPolarHBondContact CD-O 3.34Å; A150-L190 HydrophobicContact CB-CD2 3.88Å; A150-L190 WeakPolarHBondContact O-CD2 3.37Å | ||
| 151 | Q | 98.8 | Very high | 97.8 | Very high | 41 Ų | 41 | 27.4 Ų | 27.4 | 19% | 0.192 | 13% | 0.133 | C | C | . | . | trans | -112.9 | -21.6 | 177.9 | -60.1 | -56.9 | -42.6 | 0 | 0 | 112.2 | I19 L105 P106 K146 G149 V191 | I19-Q151 HydrophobicContact CD1-CB 4.26Å; I19-Q151 HydrophobicContact CG2-CB 3.98Å; L105-Q151 HydrophobicContact CB-CB 4.48Å; L105-Q151 HydrophobicContact CD2-CB 4.27Å; L105-Q151 HydrophobicContact CD2-CG 4.01Å; P106-Q151 PolarHBondContact O-N 3.36Å; K146-Q151 VanDerWaalsContact NZ-OE1 3.16Å; G149-Q151 PolarHBondContact O-NE2 3.43Å; Q151-V191 PolarHBondContact O-N 2.95Å; Q151-V191 VanDerWaalsContact O-N 3.1Å | ||
| 152 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.3 | 179 | 65.5 | -83.5 | 0 | 0 | 0 | 110.6 | I23 I30 I79 L105 G107 I108 V191 I193 | I23-F152 HydrophobicContact CD1-CB 3.79Å; I23-F152 HydrophobicContact CD1-CD1 3.61Å; I23-F152 HydrophobicContact CD1-CD2 4.21Å; I23-F152 HydrophobicContact CD1-CE1 4.16Å; I23-F152 HydrophobicContact CD1-CG 3.64Å; I23-F152 HydrophobicContact CG1-CD1 4.28Å; I23-F152 HydrophobicContact CG1-CE1 4.43Å; I30-F152 HydrophobicContact CD1-CE2 4.24Å; I79-F152 HydrophobicContact CD1-CE2 4.27Å; I79-F152 HydrophobicContact CG1-CD2 4.44Å; I79-F152 HydrophobicContact CG1-CE2 3.48Å; I79-F152 VanDerWaalsContact CG1-CE2 3.48Å; I79-F152 HydrophobicContact CG1-CZ 4.14Å; L105-F152 HydrophobicContact CB-CD1 4.2Å; L105-F152 HydrophobicContact CB-CE1 3.82Å; L105-F152 VanDerWaalsContact O-CE1 3.28Å; L105-F152 WeakPolarHBondContact O-CE1 3.31Å; G107-F152 VanDerWaalsContact CA-O 3.26Å; G107-F152 WeakPolarHBondContact CA-O 3.4Å; I108-F152 PolarHBondContact N-O 3.08Å; I108-F152 VanDerWaalsContact N-O 3.08Å; F152-V191 CarbonylContact C-O 3.25Å; F152-V191 WeakPolarHBondContact CA-O 3.3Å; F152-V191 HydrophobicContact CB-CB 3.89Å; F152-V191 HydrophobicContact CB-CG1 4.48Å; F152-V191 WeakPolarHBondContact CB-O 3.3Å; F152-I193 HydrophobicContact CD2-CD1 3.45Å; F152-I193 VanDerWaalsContact CD2-CD1 3.45Å; F152-I193 HydrophobicContact CD2-CG1 4Å; F152-I193 HydrophobicContact CE2-CD1 3.58Å |
| 153 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 162.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I108 V110 Y181 L190 V191 I193 | I108-A153 HydrophobicContact CG2-CB 4.23Å; I108-A153 CarbonylContact O-C 2.82Å; I108-A153 VanDerWaalsContact O-CA 3.23Å; I108-A153 WeakPolarHBondContact O-CA 3.26Å; V110-A153 HydrophobicContact CG1-CB 4.33Å; V110-A153 HydrophobicContact CG2-CB 4.08Å; A153-Y181 HydrophobicContact CB-CE2 4.05Å; A153-Y181 PolarHBondContact O-OH 3.08Å; A153-L190 HydrophobicContact CB-CB 4.5Å; A153-L190 HydrophobicContact CB-CD1 4.42Å; A153-V191 PolarHBondContact N-O 3.23Å; A153-I193 WeakPolarHBondContact O-CB 3.29Å; A153-I193 WeakPolarHBondContact O-CG1 2.84Å; A153-I193 PolarHBondContact O-N 3.27Å |
| 154 | K | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.7 | 175.1 | -164.5 | -150.7 | 82 | 163.2 | 0 | 110.2 | D34 I79 I108 V110 Y181 I193 E195 K237 | D34-K154 WeakPolarHBondContact OD2-CE 3.5Å; D34-K154 IonicContact OD2-NZ 2.81Å; D34-K154 PolarHBondContact OD2-NZ 2.9Å; I79-K154 HydrophobicContact CD1-CB 4.14Å; I79-K154 HydrophobicContact CD1-CD 3.78Å; I79-K154 HydrophobicContact CD1-CG 4.05Å; I79-K154 HydrophobicContact CG2-CB 3.91Å; I79-K154 HydrophobicContact CG2-CD 4.2Å; I108-K154 PolarHBondContact O-N 3.2Å; V110-K154 WeakPolarHBondContact CG2-O 3.46Å; V110-K154 PolarHBondContact N-O 3.31Å; V110-K154 VanDerWaalsContact N-O 3.08Å; K154-Y181 VanDerWaalsContact CA-OH 3.26Å; K154-Y181 WeakPolarHBondContact CA-OH 3.23Å; K154-Y181 PolarHBondContact N-OH 2.82Å; K154-I193 HydrophobicContact CB-CB 4.46Å; K154-I193 HydrophobicContact CG-CB 4.27Å; K154-I193 HydrophobicContact CG-CG2 4.29Å; K154-E195 WeakPolarHBondContact CD-OE2 3.1Å; K154-E195 WeakPolarHBondContact CE-OE2 3.37Å; K154-E195 IonicContact NZ-OE2 2.79Å; K154-E195 PolarHBondContact NZ-OE2 3.45Å; K154-K237 HydrophobicContact CD-CD 4.37Å |
| 155 | W | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 121.2 | 170.9 | -167.6 | -66.2 | 0 | 0 | 0 | 110.3 | V110 D111 T126 Q127 L135 L138 V177 L178 Y181 I193 E195 | V110-W155 HydrophobicContact CG2-CE3 3.8Å; V110-W155 HydrophobicContact CG2-CZ3 4.44Å; D111-W155 HydrophobicContact CB-CD2 3.71Å; D111-W155 HydrophobicContact CB-CE3 4.19Å; D111-W155 HydrophobicContact CB-CG 3.88Å; D111-W155 HydrophobicContact CB-CZ2 4.36Å; T126-W155 HydrophobicContact CG2-CZ2 4.2Å; Q127-W155 WeakPolarHBondContact O-CH2 3.39Å; Q127-W155 WeakPolarHBondContact O-CZ2 3.32Å; L135-W155 HydrophobicContact CD2-CH2 3.65Å; L135-W155 HydrophobicContact CD2-CZ2 4.1Å; L135-W155 HydrophobicContact CD2-CZ3 3.97Å; L135-W155 HydrophobicContact CG-CH2 4.13Å; L135-W155 HydrophobicContact CG-CZ2 4.45Å; L138-W155 HydrophobicContact CD1-CZ3 4.01Å; L138-W155 HydrophobicContact CD2-CE3 4.21Å; L138-W155 HydrophobicContact CD2-CZ3 3.79Å; L138-W155 HydrophobicContact CG-CZ3 4.42Å; W155-V177 HydrophobicContact CZ2-CG1 4.04Å; W155-L178 HydrophobicContact CB-CD2 4.3Å; W155-L178 HydrophobicContact CG-CD2 4.38Å; W155-L178 VanDerWaalsContact O-CD2 3.26Å; W155-L178 WeakPolarHBondContact O-CD2 3.43Å; W155-Y181 HydrophobicContact CB-CD1 3.43Å; W155-Y181 VanDerWaalsContact CB-CD1 3.43Å; W155-Y181 HydrophobicContact CB-CD2 3.61Å; W155-Y181 HydrophobicContact CB-CE1 3.43Å; W155-Y181 VanDerWaalsContact CB-CE1 3.43Å; W155-Y181 HydrophobicContact CB-CE2 3.61Å; W155-Y181 HydrophobicContact CB-CG 3.51Å; W155-Y181 HydrophobicContact CD2-CD2 4.07Å; W155-Y181 AromaticContact CD2-CG 4Å; W155-Y181 HydrophobicContact CD2-CG 4Å; W155-Y181 AromaticContact CE3-CD2 3.58Å; W155-Y181 HydrophobicContact CE3-CD2 3.58Å; W155-Y181 HydrophobicContact CE3-CE2 4.34Å; W155-Y181 AromaticContact CE3-CG 3.92Å; W155-Y181 HydrophobicContact CE3-CG 3.92Å; W155-Y181 HydrophobicContact CG-CD1 4.08Å; W155-Y181 HydrophobicContact CG-CD2 4.13Å; W155-Y181 AromaticContact CG-CG 3.86Å; W155-Y181 HydrophobicContact CG-CG 3.86Å; W155-Y181 PolarHBondContact N-OH 2.77Å; W155-I193 PolarHBondContact N-O 3.04Å; W155-E195 WeakPolarHBondContact O-CB 3.46Å; W155-E195 PolarHBondContact O-N 3.09Å; W155-E195 VanDerWaalsContact O-N 3.12Å |
| 156 | R | 96 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.8 | -179 | 176.8 | 179 | -178.5 | -111.1 | 11 | 112.3 | D111 T126 V158 E195 E197 H372 Y374 | D111-R156 PolarHBondContact OD2-N 3.24Å; T126-R156 VanDerWaalsContact CB-O 3.24Å; T126-R156 WeakPolarHBondContact CB-O 3.14Å; T126-R156 WeakPolarHBondContact CG2-O 3.44Å; T126-R156 PolarHBondContact OG1-O 3.05Å; R156-V158 HydrophobicContact CG-CG1 4.33Å; R156-V158 VanDerWaalsContact NH2-CG1 3.31Å; R156-E195 CarbonylContact C-O 3.58Å; R156-E195 HydrophobicContact CB-CB 4.31Å; R156-E195 HydrophobicContact CB-CG 4.05Å; R156-E195 HydrophobicContact CG-CG 3.94Å; R156-E197 IonicContact CZ-OE2 3.42Å; R156-E197 IonicContact NE-OE2 2.71Å; R156-E197 PolarHBondContact NE-OE2 3.34Å; R156-E197 IonicContact NH2-OE1 3.41Å; R156-E197 IonicContact NH2-OE2 2.98Å; R156-E197 PolarHBondContact NH2-OE2 3Å; R156-H372 PolarHBondContact NH2-O 3.19Å; R156-Y374 VanDerWaalsContact CD-CE2 3.49Å |
| 157 | C | 95.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.7 | 160.9 | -66.8 | 0 | 0 | 0 | 0 | 109.6 | T126 T174 L178 E195 E197 | T126-C157 WeakPolarHBondContact OG1-CA 3.41Å; C157-T174 HydrophobicContact CB-CG2 3.93Å; C157-L178 HydrophobicContact CB-CD1 4.31Å; C157-L178 HydrophobicContact CB-CG 4.43Å; C157-E195 PolarHBondContact N-O 3.37Å; C157-E195 VanDerWaalsContact O-O 3.05Å; C157-E197 PolarHBondContact O-N 3.46Å |
| 158 | V | 95.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.4 | 179.8 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | V114 A124 R156 E197 L199 | V114-V158 HydrophobicContact CB-CG2 4.41Å; V114-V158 HydrophobicContact CG1-CG2 3.55Å; V114-V158 HydrophobicContact CG2-CG1 4.04Å; V114-V158 HydrophobicContact CG2-CG2 3.93Å; A124-V158 HydrophobicContact CB-CG2 4.08Å; R156-V158 HydrophobicContact CG-CG1 4.33Å; R156-V158 VanDerWaalsContact NH2-CG1 3.31Å; V158-E197 CarbonylContact C-O 3.22Å; V158-E197 WeakPolarHBondContact CA-O 3.49Å; V158-L199 HydrophobicContact CB-CD1 3.99Å; V158-L199 HydrophobicContact CB-CD2 4.48Å; V158-L199 HydrophobicContact CB-CG 4.14Å; V158-L199 HydrophobicContact CG1-CD2 4.28Å; V158-L199 HydrophobicContact CG1-CG 4.48Å; V158-L199 HydrophobicContact CG2-CD1 4.38Å |
| 159 | L | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 137.6 | 177.8 | -60.4 | 99.2 | 0 | 0 | 0 | 109.1 | P166 N170 M171 T174 P196 E197 L199 V216 | L159-P166 HydrophobicContact CB-CB 4.22Å; L159-P166 HydrophobicContact CD2-CB 3.98Å; L159-P166 HydrophobicContact CD2-CG 4.4Å; L159-N170 WeakPolarHBondContact CD2-OD1 3.14Å; L159-M171 HydrophobicContact CD2-CB 4.49Å; L159-M171 HydrophobicContact CD2-CG 3.79Å; L159-T174 HydrophobicContact CG-CG2 4.41Å; L159-P196 HydrophobicContact CD1-CB 4.32Å; L159-E197 PolarHBondContact N-O 3.32Å; L159-L199 PolarHBondContact O-N 3.02Å; L159-V216 HydrophobicContact CD1-CG1 3.82Å; L159-V216 HydrophobicContact CD2-CG1 3.99Å; L159-V216 HydrophobicContact CD2-CG2 3.72Å; L159-V216 HydrophobicContact CG-CG1 4.49Å |
| 160 | K | 96.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 29.8 Ų | 29.8 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.8 | -175.3 | -68 | 176.2 | -170.9 | 170.2 | 0 | 110.8 | N122 T165 P166 L199 | N122-K160 WeakPolarHBondContact O-CD 3.28Å; N122-K160 PolarHBondContact O-NZ 3.05Å; K160-T165 CarbonylContact O-C 3.5Å; K160-T165 VanDerWaalsContact O-CB 3.28Å; K160-T165 WeakPolarHBondContact O-CB 3.39Å; K160-T165 PolarHBondContact O-OG1 3.07Å; K160-P166 WeakPolarHBondContact O-CD 3.15Å; K160-L199 HydrophobicContact CG-CD1 3.77Å |
| 161 | I | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | trans | -80.4 | 122.9 | 171.2 | -60.8 | 177.7 | 0 | 0 | 0 | 108.9 | V198 H204 R208 A209 V212 | I161-V198 HydrophobicContact CD1-CG1 3.59Å; I161-V198 HydrophobicContact CG1-CG1 3.67Å; I161-H204 HydrophobicContact CG2-CB 3.79Å; I161-R208 HydrophobicContact CG2-CG 4.04Å; I161-A209 HydrophobicContact CD1-CB 4.47Å; I161-V212 HydrophobicContact CD1-CB 3.95Å; I161-V212 HydrophobicContact CD1-CG1 4.15Å; I161-V212 HydrophobicContact CD1-CG2 4.14Å; I161-V212 HydrophobicContact CG1-CB 4.11Å; I161-V212 HydrophobicContact CG1-CG1 3.87Å; I161-V212 HydrophobicContact CG1-CG2 4.08Å | ||
| 162 | G | 96.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 32 Ų | 32 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | trans | -142 | -172.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T164 T165 R208 | G162-T164 PolarHBondContact O-N 3.37Å; G162-T165 WeakPolarHBondContact CA-OG1 3.32Å; G162-T165 PolarHBondContact N-O 3.09Å; G162-T165 PolarHBondContact N-OG1 3.3Å; G162-R208 PolarHBondContact O-NH2 3.14Å | ||
| 163 | P | 95.4 | Very high | 97 | Very high | 135 Ų | 135 | 35 Ų | 35 | 88% | 0.877 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -57.1 | -37.7 | 176.8 | -25.5 | 35 | 0 | 0 | 0 | 112.5 | ||
| 164 | T | 95.5 | Very high | 96.8 | Very high | 103 Ų | 103 | 35 Ų | 35 | 63% | 0.632 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -124.3 | 2.3 | -177.3 | 56 | 0 | 0 | 0 | 0 | 113.9 | G162 | G162-T164 PolarHBondContact O-N 3.37Š|
| 165 | T | 98 | Very high | 96.8 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | trans | -115.7 | 153.6 | -178.2 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | V121 E123 K160 G162 | V121-T165 HydrophobicContact CB-CG2 4.17Å; E123-T165 HydrophobicContact CG-CG2 3.74Å; K160-T165 CarbonylContact O-C 3.5Å; K160-T165 VanDerWaalsContact O-CB 3.28Å; K160-T165 WeakPolarHBondContact O-CB 3.39Å; K160-T165 PolarHBondContact O-OG1 3.07Å; G162-T165 WeakPolarHBondContact CA-OG1 3.32Å; G162-T165 PolarHBondContact N-O 3.09Å; G162-T165 PolarHBondContact N-OG1 3.3Å | ||
| 166 | P | 98 | Very high | 96.8 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | S | Bend | cis | -70.1 | 139.3 | -2.1 | 30.6 | -35.6 | 0 | 0 | 0 | 112 | E123 L159 K160 M171 V212 V216 | E123-P166 VanDerWaalsContact OE1-CA 3.23Å; E123-P166 WeakPolarHBondContact OE1-CA 3.26Å; L159-P166 HydrophobicContact CB-CB 4.22Å; L159-P166 HydrophobicContact CD2-CB 3.98Å; L159-P166 HydrophobicContact CD2-CG 4.4Å; K160-P166 WeakPolarHBondContact O-CD 3.15Å; P166-M171 HydrophobicContact CB-CG 3.87Å; P166-M171 HydrophobicContact CB-SD 4.41Å; P166-M171 HydrophobicContact CG-CG 3.99Å; P166-M171 HydrophobicContact CG-SD 3.93Å; P166-V212 HydrophobicContact CG-CG1 3.73Å; P166-V216 HydrophobicContact CG-CG2 4.14Å |
| 167 | S | 98 | Very high | 96.8 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | trans | -74.7 | 161.7 | 177.7 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | E123 V169 N170 M171 | E123-S167 PolarHBondContact OE1-N 2.9Å; E123-S167 PolarHBondContact OE1-OG 3.12Å; E123-S167 WeakPolarHBondContact OE2-CB 3.42Å; E123-S167 PolarHBondContact OE2-OG 3.29Å; S167-V169 VanDerWaalsContact C-N 3.26Å; S167-V169 PolarHBondContact O-N 3.19Å; S167-N170 PolarHBondContact O-N 3.26Å; S167-N170 WeakPolarHBondContact OG-CB 3.19Å; S167-N170 PolarHBondContact OG-N 2.79Å; S167-N170 VanDerWaalsContact OG-N 3.11Å; S167-M171 WeakPolarHBondContact O-CE 3.26Å; S167-M171 WeakPolarHBondContact O-CG 3.33Å; S167-M171 PolarHBondContact O-N 2.76Å | ||
| 168 | H | 97.9 | Very high | 96.9 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.2 | -44.4 | 172.9 | 171.9 | 68.2 | 0 | 0 | 0 | 112.1 | M171 M172 Y219 | H168-M171 PolarHBondContact O-N 3.26Å; H168-M172 VanDerWaalsContact O-CB 3.27Å; H168-M172 WeakPolarHBondContact O-CB 3.36Å; H168-M172 PolarHBondContact O-N 3.08Å; H168-Y219 AromaticContact CE1-CE1 3.74Å; H168-Y219 AromaticContact ND1-CE1 3.51Å; H168-Y219 AromaticContact ND1-CZ 3.49Å; H168-Y219 PolarHBondContact ND1-OH 2.89Å |
| 169 | V | 96.9 | Very high | 97 | Very high | 68 Ų | 68 | 37.6 Ų | 37.6 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 179 | 148.3 | 0 | 0 | 0 | 0 | 111.5 | M117 T120 S167 M172 E173 | M117-V169 HydrophobicContact CE-CG1 3.21Å; M117-V169 HydrophobicContact SD-CG1 4.17Å; T120-V169 HydrophobicContact CG2-CG1 4.22Å; S167-V169 VanDerWaalsContact C-N 3.26Å; S167-V169 PolarHBondContact O-N 3.19Å; V169-M172 HydrophobicContact CG2-CE 4.24Å; V169-M172 PolarHBondContact O-N 3.35Å; V169-E173 VanDerWaalsContact O-CB 3.29Å; V169-E173 WeakPolarHBondContact O-CB 3.5Å; V169-E173 PolarHBondContact O-N 3.48Å |
| 170 | N | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 177.1 | 179.7 | -111.9 | 0 | 0 | 0 | 112.7 | M117 E123 A124 L159 S167 E173 T174 | M117-N170 HydrophobicContact SD-CB 4.27Å; E123-N170 HydrophobicContact CB-CB 4.21Å; E123-N170 VanDerWaalsContact CD-CB 3.47Å; E123-N170 HydrophobicContact CG-CB 4.45Å; E123-N170 WeakPolarHBondContact OE1-CB 3.43Å; A124-N170 PolarHBondContact O-ND2 2.74Å; L159-N170 WeakPolarHBondContact CD2-OD1 3.14Å; S167-N170 PolarHBondContact O-N 3.26Å; S167-N170 WeakPolarHBondContact OG-CB 3.19Å; S167-N170 PolarHBondContact OG-N 2.79Å; S167-N170 VanDerWaalsContact OG-N 3.11Å; N170-E173 PolarHBondContact O-N 2.84Å; N170-T174 WeakPolarHBondContact O-CB 3.36Å; N170-T174 VanDerWaalsContact O-CG2 3.28Å; N170-T174 WeakPolarHBondContact O-CG2 3.28Å; N170-T174 PolarHBondContact O-N 2.8Å; N170-T174 PolarHBondContact O-OG1 3.3Å |
| 171 | M | 98.2 | Very high | 96.9 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.6 | -68.1 | -175.1 | -73.7 | 0 | 0 | 112.4 | L159 P166 S167 H168 T174 A175 T215 V216 Y219 | L159-M171 HydrophobicContact CD2-CB 4.49Å; L159-M171 HydrophobicContact CD2-CG 3.79Å; P166-M171 HydrophobicContact CB-CG 3.87Å; P166-M171 HydrophobicContact CB-SD 4.41Å; P166-M171 HydrophobicContact CG-CG 3.99Å; P166-M171 HydrophobicContact CG-SD 3.93Å; S167-M171 WeakPolarHBondContact O-CE 3.26Å; S167-M171 WeakPolarHBondContact O-CG 3.33Å; S167-M171 PolarHBondContact O-N 2.76Å; H168-M171 PolarHBondContact O-N 3.26Å; M171-T174 PolarHBondContact O-OG1 2.95Å; M171-A175 WeakPolarHBondContact O-CB 3.49Å; M171-A175 PolarHBondContact O-N 2.84Å; M171-A175 VanDerWaalsContact O-N 3.09Å; M171-T215 HydrophobicContact CE-CG2 4Å; M171-T215 HydrophobicContact SD-CG2 3.65Å; M171-V216 HydrophobicContact CG-CG2 4.2Å; M171-V216 HydrophobicContact SD-CG2 4.02Å; M171-Y219 HydrophobicContact CB-CD1 4.03Å; M171-Y219 HydrophobicContact CB-CD2 3.81Å; M171-Y219 HydrophobicContact CB-CE1 4.4Å; M171-Y219 HydrophobicContact CB-CE2 4.22Å; M171-Y219 HydrophobicContact CB-CG 3.74Å; M171-Y219 HydrophobicContact CE-CD2 4.25Å; M171-Y219 HydrophobicContact CE-CE2 3.74Å; M171-Y219 HydrophobicContact CG-CD2 4.42Å; M171-Y219 HydrophobicContact SD-CD2 3.85Å; M171-Y219 HydrophobicContact SD-CE2 3.94Å |
| 172 | M | 97.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 177 | 177.4 | 172.6 | 45 | 0 | 0 | 111.8 | H168 V169 N176 Y219 | H168-M172 VanDerWaalsContact O-CB 3.27Å; H168-M172 WeakPolarHBondContact O-CB 3.36Å; H168-M172 PolarHBondContact O-N 3.08Å; V169-M172 HydrophobicContact CG2-CE 4.24Å; V169-M172 PolarHBondContact O-N 3.35Å; M172-N176 WeakPolarHBondContact O-CB 3.44Å; M172-N176 PolarHBondContact O-N 2.84Å; M172-N176 PolarHBondContact O-ND2 3.2Å; M172-N176 VanDerWaalsContact O-ND2 3.09Å; M172-Y219 HydrophobicContact CB-CD1 4.4Å; M172-Y219 HydrophobicContact CB-CE1 4.47Å |
| 173 | E | 95 | Very high | 96.9 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 29% | 0.285 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63 | -52.1 | 179.9 | 177.3 | 59.2 | -160 | 0 | 0 | 111.6 | M117 V169 N170 A175 N176 V177 | M117-E173 HydrophobicContact CE-CB 3.65Å; M117-E173 HydrophobicContact CE-CG 3.82Å; M117-E173 HydrophobicContact SD-CB 4.35Å; M117-E173 HydrophobicContact SD-CG 4.42Å; V169-E173 VanDerWaalsContact O-CB 3.29Å; V169-E173 WeakPolarHBondContact O-CB 3.5Å; V169-E173 PolarHBondContact O-N 3.48Å; N170-E173 PolarHBondContact O-N 2.84Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.33Å; E173-N176 PolarHBondContact O-N 2.89Å; E173-V177 WeakPolarHBondContact O-CG2 3.26Å; E173-V177 PolarHBondContact O-N 3.41Å; E173-V177 WeakPolarHBondContact OE1-CG2 3.41Å |
| 174 | T | 95.8 | Very high | 97 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 179.6 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | C157 L159 N170 M171 V177 L178 | C157-T174 HydrophobicContact CB-CG2 3.93Å; L159-T174 HydrophobicContact CG-CG2 4.41Å; N170-T174 WeakPolarHBondContact O-CB 3.36Å; N170-T174 VanDerWaalsContact O-CG2 3.28Å; N170-T174 WeakPolarHBondContact O-CG2 3.28Å; N170-T174 PolarHBondContact O-N 2.8Å; N170-T174 PolarHBondContact O-OG1 3.3Å; M171-T174 PolarHBondContact O-OG1 2.95Å; T174-V177 PolarHBondContact O-N 2.9Å; T174-L178 WeakPolarHBondContact O-CG 3.46Å; T174-L178 PolarHBondContact O-N 2.93Å; T174-L178 VanDerWaalsContact O-N 3.07Å |
| 175 | A | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M171 E173 L178 A179 Y219 A223 | M171-A175 WeakPolarHBondContact O-CB 3.49Å; M171-A175 PolarHBondContact O-N 2.84Å; M171-A175 VanDerWaalsContact O-N 3.09Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.33Å; A175-L178 PolarHBondContact O-N 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.05Å; A175-A179 PolarHBondContact O-N 3Å; A175-Y219 WeakPolarHBondContact CB-O 3.06Å; A175-A223 HydrophobicContact CB-CB 3.71Å; A175-A223 WeakPolarHBondContact O-CB 3.48Å |
| 176 | N | 96.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.2 | -40 | 178.3 | -75.7 | -37.1 | 0 | 0 | 0 | 112.4 | M172 E173 A179 R180 | M172-N176 WeakPolarHBondContact O-CB 3.44Å; M172-N176 PolarHBondContact O-N 2.84Å; M172-N176 PolarHBondContact O-ND2 3.2Å; M172-N176 VanDerWaalsContact O-ND2 3.09Å; E173-N176 PolarHBondContact O-N 2.89Å; N176-A179 PolarHBondContact O-N 3.35Å; N176-R180 WeakPolarHBondContact O-CG 3.32Å; N176-R180 PolarHBondContact O-N 3.5Å |
| 177 | V | 95.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 174 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | W155 E173 T174 A179 R180 Y181 | W155-V177 HydrophobicContact CZ2-CG1 4.04Å; E173-V177 WeakPolarHBondContact O-CG2 3.26Å; E173-V177 PolarHBondContact O-N 3.41Å; E173-V177 WeakPolarHBondContact OE1-CG2 3.41Å; T174-V177 PolarHBondContact O-N 2.9Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.34Å; V177-R180 PolarHBondContact O-N 2.95Å; V177-Y181 WeakPolarHBondContact O-CB 3.34Å; V177-Y181 PolarHBondContact O-N 2.8Å |
| 178 | L | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 178.1 | -71.7 | 171.8 | 0 | 0 | 0 | 112.2 | W155 C157 T174 A175 Y181 A182 V194 P196 T220 | W155-L178 HydrophobicContact CB-CD2 4.3Å; W155-L178 HydrophobicContact CG-CD2 4.38Å; W155-L178 VanDerWaalsContact O-CD2 3.26Å; W155-L178 WeakPolarHBondContact O-CD2 3.43Å; C157-L178 HydrophobicContact CB-CD1 4.31Å; C157-L178 HydrophobicContact CB-CG 4.43Å; T174-L178 WeakPolarHBondContact O-CG 3.46Å; T174-L178 PolarHBondContact O-N 2.93Å; T174-L178 VanDerWaalsContact O-N 3.07Å; A175-L178 PolarHBondContact O-N 3.3Å; L178-Y181 HydrophobicContact CD2-CD1 4.39Å; L178-Y181 WeakPolarHBondContact O-CD1 3.43Å; L178-A182 VanDerWaalsContact O-CB 3.29Å; L178-A182 WeakPolarHBondContact O-CB 3.35Å; L178-A182 PolarHBondContact O-N 3.28Å; L178-V194 HydrophobicContact CB-CG1 4.38Å; L178-V194 HydrophobicContact CD2-CB 4.3Å; L178-P196 HydrophobicContact CD1-CB 3.79Å; L178-P196 HydrophobicContact CD1-CG 4.32Å; L178-T220 HydrophobicContact CD1-CG2 4.35Å |
| 179 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A175 N176 V177 A182 S183 A223 L224 H227 | A175-A179 WeakPolarHBondContact O-CB 3.05Å; A175-A179 PolarHBondContact O-N 3Å; N176-A179 PolarHBondContact O-N 3.35Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.34Å; A179-A182 PolarHBondContact O-N 3.13Å; A179-S183 PolarHBondContact O-N 3.4Å; A179-S183 PolarHBondContact O-OG 2.7Å; A179-A223 HydrophobicContact CB-CB 3.9Å; A179-L224 HydrophobicContact CB-CD2 4.09Å; A179-H227 HydrophobicContact CB-CB 3.94Å; A179-H227 WeakPolarHBondContact CB-CD2 3.28Å |
| 180 | R | 95.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 23.2 Ų | 23.2 | 40% | 0.404 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 172.2 | -71.2 | 175.9 | 65.1 | -162.5 | -2.4 | 111.5 | L135 N176 V177 A182 S183 I184 H227 | L135-R180 HydrophobicContact CD1-CB 4.22Å; N176-R180 WeakPolarHBondContact O-CG 3.32Å; N176-R180 PolarHBondContact O-N 3.5Å; V177-R180 PolarHBondContact O-N 2.95Å; R180-A182 VanDerWaalsContact C-N 3.33Å; R180-A182 PolarHBondContact O-N 3.4Å; R180-S183 PolarHBondContact O-N 3.49Å; R180-I184 WeakPolarHBondContact O-CG1 3.44Å; R180-I184 PolarHBondContact O-N 3.42Å; R180-I184 VanDerWaalsContact O-N 3.08Å; R180-H227 VanDerWaalsContact CG-CE1 3.47Å; R180-H227 WeakPolarHBondContact CG-CE1 3.43Å |
| 181 | Y | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.7 | -48.9 | 173.8 | 145 | -104.8 | 0 | 0 | 0 | 111.7 | V110 L138 A153 K154 W155 V177 L178 S183 I184 C185 P192 I193 V194 | V110-Y181 HydrophobicContact CG2-CD2 3.96Å; V110-Y181 HydrophobicContact CG2-CE2 3.58Å; L138-Y181 HydrophobicContact CD2-CD2 4.15Å; A153-Y181 HydrophobicContact CB-CE2 4.05Å; A153-Y181 PolarHBondContact O-OH 3.08Å; K154-Y181 VanDerWaalsContact CA-OH 3.26Å; K154-Y181 WeakPolarHBondContact CA-OH 3.23Å; K154-Y181 PolarHBondContact N-OH 2.82Å; W155-Y181 HydrophobicContact CB-CD1 3.43Å; W155-Y181 VanDerWaalsContact CB-CD1 3.43Å; W155-Y181 HydrophobicContact CB-CD2 3.61Å; W155-Y181 HydrophobicContact CB-CE1 3.43Å; W155-Y181 VanDerWaalsContact CB-CE1 3.43Å; W155-Y181 HydrophobicContact CB-CE2 3.61Å; W155-Y181 HydrophobicContact CB-CG 3.51Å; W155-Y181 HydrophobicContact CD2-CD2 4.07Å; W155-Y181 AromaticContact CD2-CG 4Å; W155-Y181 HydrophobicContact CD2-CG 4Å; W155-Y181 AromaticContact CE3-CD2 3.58Å; W155-Y181 HydrophobicContact CE3-CD2 3.58Å; W155-Y181 HydrophobicContact CE3-CE2 4.34Å; W155-Y181 AromaticContact CE3-CG 3.92Å; W155-Y181 HydrophobicContact CE3-CG 3.92Å; W155-Y181 HydrophobicContact CG-CD1 4.08Å; W155-Y181 HydrophobicContact CG-CD2 4.13Å; W155-Y181 AromaticContact CG-CG 3.86Å; W155-Y181 HydrophobicContact CG-CG 3.86Å; W155-Y181 PolarHBondContact N-OH 2.77Å; V177-Y181 WeakPolarHBondContact O-CB 3.34Å; V177-Y181 PolarHBondContact O-N 2.8Å; L178-Y181 HydrophobicContact CD2-CD1 4.39Å; L178-Y181 WeakPolarHBondContact O-CD1 3.43Å; Y181-S183 VanDerWaalsContact C-N 3.34Å; Y181-S183 PolarHBondContact O-N 2.79Å; Y181-I184 PolarHBondContact O-N 3.31Å; Y181-C185 VanDerWaalsContact CD2-SG 3.55Å; Y181-C185 HydrophobicContact CE2-CB 4.47Å; Y181-C185 WeakPolarHBondContact CE2-SG 3.32Å; Y181-C185 PolarHBondContact O-N 3.1Å; Y181-C185 PolarHBondContact O-SG 2.9Å; Y181-P192 HydrophobicContact CD1-CB 4.49Å; Y181-P192 HydrophobicContact CE1-CB 3.69Å; Y181-P192 HydrophobicContact CE2-CB 4.44Å; Y181-P192 WeakPolarHBondContact OH-CA 3.45Å; Y181-I193 WeakPolarHBondContact CE1-O 3.42Å; Y181-I193 PolarHBondContact OH-N 3.39Å; Y181-I193 VanDerWaalsContact OH-N 3.16Å; Y181-I193 PolarHBondContact OH-O 3.19Å; Y181-V194 HydrophobicContact CD1-CG1 4.21Å; Y181-V194 HydrophobicContact CE1-CG1 3.92Å |
| 182 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L178 A179 R180 I184 C185 Q186 P192 V194 L224 V229 | L178-A182 VanDerWaalsContact O-CB 3.29Å; L178-A182 WeakPolarHBondContact O-CB 3.35Å; L178-A182 PolarHBondContact O-N 3.28Å; A179-A182 PolarHBondContact O-N 3.13Å; R180-A182 VanDerWaalsContact C-N 3.33Å; R180-A182 PolarHBondContact O-N 3.4Å; A182-I184 PolarHBondContact O-N 3.03Å; A182-C185 PolarHBondContact O-N 3.35Å; A182-Q186 WeakPolarHBondContact O-CG 3.29Å; A182-Q186 PolarHBondContact O-N 3.4Å; A182-P192 HydrophobicContact CB-CB 3.85Å; A182-P192 HydrophobicContact CB-CG 3.69Å; A182-V194 HydrophobicContact CB-CG1 4.12Å; A182-L224 HydrophobicContact CB-CD2 3.97Å; A182-V229 HydrophobicContact CB-CG1 3.99Å; A182-V229 HydrophobicContact CB-CG2 4.02Å |
| 183 | S | 96.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 19 Ų | 19 | 9% | 0.091 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 178 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | A179 R180 Y181 Q186 Q187 V229 | A179-S183 PolarHBondContact O-N 3.4Å; A179-S183 PolarHBondContact O-OG 2.7Å; R180-S183 PolarHBondContact O-N 3.49Å; Y181-S183 VanDerWaalsContact C-N 3.34Å; Y181-S183 PolarHBondContact O-N 2.79Å; S183-Q186 PolarHBondContact O-N 3.11Å; S183-Q187 WeakPolarHBondContact O-CG 3.49Å; S183-Q187 PolarHBondContact O-N 3.2Å; S183-Q187 VanDerWaalsContact O-N 3.15Å; S183-Q187 PolarHBondContact O-NE2 2.96Å; S183-Q187 VanDerWaalsContact O-NE2 3.16Å; S183-V229 WeakPolarHBondContact OG-CG2 3.28Å |
| 184 | I | 96.7 | Very high | 97.6 | Very high | 27 Ų | 27 | 16.1 Ų | 16.1 | 14% | 0.138 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 178.2 | -67.6 | 164 | 0 | 0 | 0 | 111.1 | L138 D139 R180 Y181 A182 Q186 Q187 N188 | L138-I184 HydrophobicContact CB-CD1 4.39Å; L138-I184 HydrophobicContact CB-CG2 4.26Å; L138-I184 HydrophobicContact CD2-CB 4.07Å; L138-I184 HydrophobicContact CD2-CD1 3.94Å; L138-I184 HydrophobicContact CD2-CG2 4Å; L138-I184 HydrophobicContact CG-CB 4.4Å; L138-I184 HydrophobicContact CG-CD1 4.48Å; L138-I184 HydrophobicContact CG-CG2 3.77Å; D139-I184 HydrophobicContact CB-CG2 3.96Å; R180-I184 WeakPolarHBondContact O-CG1 3.44Å; R180-I184 PolarHBondContact O-N 3.42Å; R180-I184 VanDerWaalsContact O-N 3.08Å; Y181-I184 PolarHBondContact O-N 3.31Å; A182-I184 PolarHBondContact O-N 3.03Å; I184-Q186 PolarHBondContact O-N 2.83Å; I184-Q187 PolarHBondContact O-N 2.93Å; I184-N188 PolarHBondContact O-N 3.31Å; I184-N188 PolarHBondContact O-ND2 3.1Å |
| 185 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 175.6 | -77 | 0 | 0 | 0 | 0 | 112 | C142 Y181 A182 Q187 N188 G189 L190 P192 | C142-C185 VanDerWaalsContact SG-SG 3.63Å; Y181-C185 VanDerWaalsContact CD2-SG 3.55Å; Y181-C185 HydrophobicContact CE2-CB 4.47Å; Y181-C185 WeakPolarHBondContact CE2-SG 3.32Å; Y181-C185 PolarHBondContact O-N 3.1Å; Y181-C185 PolarHBondContact O-SG 2.9Å; A182-C185 PolarHBondContact O-N 3.35Å; C185-Q187 PolarHBondContact O-N 3.42Å; C185-N188 CarbonylContact O-C 3.6Å; C185-N188 WeakPolarHBondContact O-CA 3.42Å; C185-N188 PolarHBondContact O-N 3.12Å; C185-N188 VanDerWaalsContact O-N 3.09Å; C185-G189 PolarHBondContact O-N 3.02Å; C185-L190 CarbonylContact C-O 3.51Å; C185-L190 VanDerWaalsContact C-O 3.25Å; C185-L190 HydrophobicContact CB-CB 4.13Å; C185-L190 PolarHBondContact O-N 2.88Å; C185-P192 HydrophobicContact CB-CB 3.95Å; C185-P192 HydrophobicContact CB-CG 4.42Å |
| 186 | Q | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | -179.1 | -71 | -170.6 | -28.6 | 0 | 0 | 112.6 | Y7 L8 L16 A182 S183 I184 N188 G189 P192 F230 G233 | Y7-Q186 HydrophobicContact CE2-CB 4.2Å; Y7-Q186 PolarHBondContact OH-OE1 3.03Å; L8-Q186 HydrophobicContact CD1-CB 4.03Å; L8-Q186 HydrophobicContact CD2-CB 4.03Å; L8-Q186 WeakPolarHBondContact CD2-O 3.47Å; L16-Q186 HydrophobicContact CD1-CB 3.85Å; L16-Q186 HydrophobicContact CD1-CG 3.83Å; A182-Q186 WeakPolarHBondContact O-CG 3.29Å; A182-Q186 PolarHBondContact O-N 3.4Å; S183-Q186 PolarHBondContact O-N 3.11Å; I184-Q186 PolarHBondContact O-N 2.83Å; Q186-N188 PolarHBondContact O-N 3.27Å; Q186-G189 PolarHBondContact O-N 3.47Å; Q186-P192 HydrophobicContact CG-CG 4.04Å; Q186-F230 PolarHBondContact NE2-O 3.12Å; Q186-G233 PolarHBondContact NE2-O 3.48Å |
| 187 | Q | 97.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 13.9 Ų | 13.9 | 49% | 0.491 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -55.8 | -35.5 | 172.6 | -75.4 | 171 | 69.4 | 0 | 0 | 112 | Y7 S183 I184 C185 | Y7-Q187 HydrophobicContact CD2-CG 3.65Å; Y7-Q187 HydrophobicContact CE2-CG 3.93Å; S183-Q187 WeakPolarHBondContact O-CG 3.49Å; S183-Q187 PolarHBondContact O-N 3.2Å; S183-Q187 VanDerWaalsContact O-N 3.15Å; S183-Q187 PolarHBondContact O-NE2 2.96Å; S183-Q187 VanDerWaalsContact O-NE2 3.16Å; I184-Q187 PolarHBondContact O-N 2.93Å; C185-Q187 PolarHBondContact O-N 3.42Å |
| 188 | N | 98.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 13.9 Ų | 13.9 | 13% | 0.134 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.8 | 178.6 | -72.4 | -76.8 | 0 | 0 | 0 | 114.1 | D139 C142 A143 K146 I184 C185 Q186 L190 | D139-N188 PolarHBondContact OD1-ND2 3.18Å; C142-N188 HydrophobicContact CB-CB 3.72Å; A143-N188 VanDerWaalsContact CA-OD1 3.27Å; A143-N188 WeakPolarHBondContact CA-OD1 3.33Å; A143-N188 VanDerWaalsContact CB-OD1 3.26Å; A143-N188 WeakPolarHBondContact CB-OD1 3.5Å; A143-N188 PolarHBondContact N-OD1 3.46Å; K146-N188 VanDerWaalsContact CG-O 3.29Å; K146-N188 WeakPolarHBondContact CG-O 3.49Å; I184-N188 PolarHBondContact O-N 3.31Å; I184-N188 PolarHBondContact O-ND2 3.1Å; C185-N188 CarbonylContact O-C 3.6Å; C185-N188 WeakPolarHBondContact O-CA 3.42Å; C185-N188 PolarHBondContact O-N 3.12Å; C185-N188 VanDerWaalsContact O-N 3.09Å; Q186-N188 PolarHBondContact O-N 3.27Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.4Å |
| 189 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 27.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K146 C185 Q186 | K146-G189 WeakPolarHBondContact CE-O 3.35Å; K146-G189 PolarHBondContact NZ-O 3.32Å; C185-G189 PolarHBondContact O-N 3.02Å; Q186-G189 PolarHBondContact O-N 3.47Å |
| 190 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -106.8 | 129.6 | 172 | -63.1 | 174.4 | 0 | 0 | 0 | 109.4 | L16 C142 K146 A150 A153 C185 N188 P192 | L16-L190 VanDerWaalsContact CD2-C 3.41Å; L16-L190 WeakPolarHBondContact CD2-O 3.44Å; C142-L190 HydrophobicContact CB-CD1 3.93Å; K146-L190 HydrophobicContact CB-CD2 4.1Å; K146-L190 HydrophobicContact CB-CG 4.27Å; K146-L190 HydrophobicContact CD-CD2 3.84Å; K146-L190 HydrophobicContact CD-CG 4.45Å; A150-L190 HydrophobicContact CB-CD2 3.88Å; A150-L190 WeakPolarHBondContact O-CD2 3.37Å; A153-L190 HydrophobicContact CB-CB 4.5Å; A153-L190 HydrophobicContact CB-CD1 4.42Å; C185-L190 CarbonylContact C-O 3.51Å; C185-L190 VanDerWaalsContact C-O 3.25Å; C185-L190 HydrophobicContact CB-CB 4.13Å; C185-L190 PolarHBondContact O-N 2.88Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.4Å; L190-P192 VanDerWaalsContact O-CD 3.22Å; L190-P192 WeakPolarHBondContact O-CD 3.39Å | ||
| 191 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 119.1 | 169.7 | 169.3 | 0 | 0 | 0 | 0 | 108.9 | L16 I19 A20 I23 Q151 F152 A153 L235 | L16-V191 HydrophobicContact CB-CG2 4.24Å; L16-V191 HydrophobicContact CD2-CG2 3.89Å; L16-V191 WeakPolarHBondContact O-CG2 3.27Å; I19-V191 HydrophobicContact CB-CG2 3.66Å; I19-V191 HydrophobicContact CG2-CB 4.11Å; I19-V191 HydrophobicContact CG2-CG2 3.55Å; A20-V191 HydrophobicContact CB-CG1 4.01Å; A20-V191 HydrophobicContact CB-CG2 4.15Å; I23-V191 HydrophobicContact CD1-CG1 4.47Å; Q151-V191 PolarHBondContact O-N 2.95Å; Q151-V191 VanDerWaalsContact O-N 3.1Å; F152-V191 CarbonylContact C-O 3.25Å; F152-V191 WeakPolarHBondContact CA-O 3.3Å; F152-V191 HydrophobicContact CB-CB 3.89Å; F152-V191 HydrophobicContact CB-CG1 4.48Å; F152-V191 WeakPolarHBondContact CB-O 3.3Å; A153-V191 PolarHBondContact N-O 3.23Å; V191-L235 HydrophobicContact CG1-CD1 4.45Å; V191-L235 HydrophobicContact CG1-CG 4.27Å |
| 192 | P | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.9 | 174.6 | 31.2 | -33.6 | 0 | 0 | 0 | 111 | Y181 A182 C185 Q186 L190 G233 T234 L235 | Y181-P192 HydrophobicContact CD1-CB 4.49Å; Y181-P192 HydrophobicContact CE1-CB 3.69Å; Y181-P192 HydrophobicContact CE2-CB 4.44Å; Y181-P192 WeakPolarHBondContact OH-CA 3.45Å; A182-P192 HydrophobicContact CB-CB 3.85Å; A182-P192 HydrophobicContact CB-CG 3.69Å; C185-P192 HydrophobicContact CB-CB 3.95Å; C185-P192 HydrophobicContact CB-CG 4.42Å; Q186-P192 HydrophobicContact CG-CG 4.04Å; L190-P192 VanDerWaalsContact O-CD 3.22Å; L190-P192 WeakPolarHBondContact O-CD 3.39Å; P192-G233 WeakPolarHBondContact CD-O 3.25Å; P192-T234 HydrophobicContact CG-CG2 3.94Å; P192-L235 PolarHBondContact O-N 2.75Å |
| 193 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.6 | 159.6 | -55.8 | -175.3 | 0 | 0 | 0 | 107.4 | I30 I79 F152 A153 K154 W155 Y181 L235 K237 V276 | I30-I193 HydrophobicContact CD1-CD1 3.64Å; I79-I193 HydrophobicContact CD1-CD1 4.12Å; F152-I193 HydrophobicContact CD2-CD1 3.45Å; F152-I193 VanDerWaalsContact CD2-CD1 3.45Å; F152-I193 HydrophobicContact CD2-CG1 4Å; F152-I193 HydrophobicContact CE2-CD1 3.58Å; A153-I193 WeakPolarHBondContact O-CB 3.29Å; A153-I193 WeakPolarHBondContact O-CG1 2.84Å; A153-I193 PolarHBondContact O-N 3.27Å; K154-I193 HydrophobicContact CB-CB 4.46Å; K154-I193 HydrophobicContact CG-CB 4.27Å; K154-I193 HydrophobicContact CG-CG2 4.29Å; W155-I193 PolarHBondContact N-O 3.04Å; Y181-I193 WeakPolarHBondContact CE1-O 3.42Å; Y181-I193 PolarHBondContact OH-N 3.39Å; Y181-I193 VanDerWaalsContact OH-N 3.16Å; Y181-I193 PolarHBondContact OH-O 3.19Å; I193-L235 WeakPolarHBondContact CA-O 3.3Å; I193-L235 HydrophobicContact CD1-CD1 4.49Å; I193-L235 HydrophobicContact CG1-CB 4.16Å; I193-L235 HydrophobicContact CG1-CD1 4.3Å; I193-K237 HydrophobicContact CG2-CB 3.43Å; I193-K237 VanDerWaalsContact CG2-CB 3.43Å; I193-K237 HydrophobicContact CG2-CD 4.12Å; I193-K237 HydrophobicContact CG2-CG 4.41Å; I193-V276 HydrophobicContact CD1-CG2 4.47Å; I193-V276 HydrophobicContact CG2-CG2 4.01Å |
| 194 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.8 | 176 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | L178 Y181 A182 P196 L224 L235 L236 K237 | L178-V194 HydrophobicContact CB-CG1 4.38Å; L178-V194 HydrophobicContact CD2-CB 4.3Å; Y181-V194 HydrophobicContact CD1-CG1 4.21Å; Y181-V194 HydrophobicContact CE1-CG1 3.92Å; A182-V194 HydrophobicContact CB-CG1 4.12Å; V194-P196 WeakPolarHBondContact O-CD 3.27Å; V194-L224 HydrophobicContact CG1-CD2 4.29Å; V194-L224 HydrophobicContact CG2-CD1 4.35Å; V194-L235 PolarHBondContact N-O 3.01Å; V194-L236 HydrophobicContact CG2-CD1 4.05Å; V194-K237 PolarHBondContact O-N 3.01Å |
| 195 | E | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 82.7 | -173.6 | 176.8 | 175.2 | -176.6 | 0 | 0 | 111.1 | K154 W155 R156 C157 E197 K237 L278 | K154-E195 WeakPolarHBondContact CD-OE2 3.1Å; K154-E195 WeakPolarHBondContact CE-OE2 3.37Å; K154-E195 IonicContact NZ-OE2 2.79Å; K154-E195 PolarHBondContact NZ-OE2 3.45Å; W155-E195 WeakPolarHBondContact O-CB 3.46Å; W155-E195 PolarHBondContact O-N 3.09Å; W155-E195 VanDerWaalsContact O-N 3.12Å; R156-E195 CarbonylContact C-O 3.58Å; R156-E195 HydrophobicContact CB-CB 4.31Å; R156-E195 HydrophobicContact CB-CG 4.05Å; R156-E195 HydrophobicContact CG-CG 3.94Å; C157-E195 PolarHBondContact N-O 3.37Å; C157-E195 VanDerWaalsContact O-O 3.05Å; E195-E197 HydrophobicContact CG-CB 4.49Å; E195-E197 PolarHBondContact O-N 3.04Å; E195-K237 VanDerWaalsContact CA-O 3.28Å; E195-K237 WeakPolarHBondContact CA-O 3.38Å; E195-K237 HydrophobicContact CB-CB 3.94Å; E195-K237 HydrophobicContact CB-CD 4.45Å; E195-K237 HydrophobicContact CB-CG 4.13Å; E195-K237 HydrophobicContact CG-CB 4.21Å; E195-K237 HydrophobicContact CG-CD 4.24Å; E195-K237 HydrophobicContact CG-CG 3.87Å; E195-K237 WeakPolarHBondContact CG-O 3.45Å; E195-K237 WeakPolarHBondContact OE2-CD 3.39Å; E195-K237 IonicContact OE2-NZ 2.76Å; E195-L278 HydrophobicContact CG-CD2 3.9Å |
| 196 | P | 97.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 79.8 | 169 | 34.6 | -33.6 | 0 | 0 | 0 | 109.9 | L159 L178 V194 V198 V216 L217 T220 L236 | L159-P196 HydrophobicContact CD1-CB 4.32Å; L178-P196 HydrophobicContact CD1-CB 3.79Å; L178-P196 HydrophobicContact CD1-CG 4.32Å; V194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-V198 PolarHBondContact O-N 3.5Å; P196-V216 HydrophobicContact CB-CG1 3.87Å; P196-L217 HydrophobicContact CG-CD2 4.11Å; P196-T220 HydrophobicContact CG-CG2 4.24Å; P196-L236 HydrophobicContact CG-CD1 4.03Å |
| 197 | E | 97.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.5 | -177 | -179.4 | 177.2 | -178.5 | 0 | 0 | 111.3 | R156 C157 V158 L159 E195 L199 L278 | R156-E197 IonicContact CZ-OE2 3.42Å; R156-E197 IonicContact NE-OE2 2.71Å; R156-E197 PolarHBondContact NE-OE2 3.34Å; R156-E197 IonicContact NH2-OE1 3.41Å; R156-E197 IonicContact NH2-OE2 2.98Å; R156-E197 PolarHBondContact NH2-OE2 3Å; C157-E197 PolarHBondContact O-N 3.46Å; V158-E197 CarbonylContact C-O 3.22Å; V158-E197 WeakPolarHBondContact CA-O 3.49Å; L159-E197 PolarHBondContact N-O 3.32Å; E195-E197 HydrophobicContact CG-CB 4.49Å; E195-E197 PolarHBondContact O-N 3.04Å; E197-L199 HydrophobicContact CG-CD2 4.23Å; E197-L278 HydrophobicContact CB-CD2 3.85Å; E197-L278 HydrophobicContact CG-CD1 3.83Å; E197-L278 HydrophobicContact CG-CD2 3.84Å; E197-L278 WeakPolarHBondContact OE1-CD1 3.4Å |
| 198 | V | 98 | Very high | 97.9 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 116.3 | 162 | -175.1 | 0 | 0 | 0 | 0 | 108 | I161 P196 V212 V216 N239 | I161-V198 HydrophobicContact CD1-CG1 3.59Å; I161-V198 HydrophobicContact CG1-CG1 3.67Å; P196-V198 PolarHBondContact O-N 3.5Å; V198-V212 HydrophobicContact CG1-CG1 4.06Å; V198-V212 HydrophobicContact CG2-CG1 4.32Å; V198-V216 HydrophobicContact CG2-CB 4.27Å; V198-V216 HydrophobicContact CG2-CG1 4.34Å; V198-V216 HydrophobicContact CG2-CG2 4.02Å; V198-N239 WeakPolarHBondContact CB-OD1 3.47Å; V198-N239 PolarHBondContact N-OD1 3.34Å; V198-N239 VanDerWaalsContact N-OD1 3.12Å |
| 199 | L | 97.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 142.3 | -176.8 | -69.6 | 174.4 | 0 | 0 | 0 | 111.2 | V158 L159 K160 E197 D201 | V158-L199 HydrophobicContact CB-CD1 3.99Å; V158-L199 HydrophobicContact CB-CD2 4.48Å; V158-L199 HydrophobicContact CB-CG 4.14Å; V158-L199 HydrophobicContact CG1-CD2 4.28Å; V158-L199 HydrophobicContact CG1-CG 4.48Å; V158-L199 HydrophobicContact CG2-CD1 4.38Å; L159-L199 PolarHBondContact O-N 3.02Å; K160-L199 HydrophobicContact CG-CD1 3.77Å; E197-L199 HydrophobicContact CG-CD2 4.23Å; L199-D201 PolarHBondContact O-N 3.05Å |
| 200 | P | 95.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 8% | 0.078 | 15% | 0.149 | C | C | . | . | trans | -78.2 | -0.8 | -179.6 | 36.4 | -40.1 | 0 | 0 | 0 | 113 | G202 G244 Q245 G280 F368 | P200-G202 PolarHBondContact O-N 3.05Å; P200-G244 CarbonylContact O-C 3.57Å; P200-G244 VanDerWaalsContact O-CA 3.28Å; P200-G244 WeakPolarHBondContact O-CA 3.28Å; P200-Q245 PolarHBondContact O-N 3.34Å; P200-G280 WeakPolarHBondContact CG-O 3.48Å; P200-F368 HydrophobicContact CG-CD2 4.12Å; P200-F368 HydrophobicContact CG-CE2 3.95Å | ||
| 201 | D | 95.9 | Very high | 97.9 | Very high | 35 Ų | 35 | 34 Ų | 34 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | trans | -61.7 | 132.4 | 179.3 | -63.6 | -106.2 | 0 | 0 | 0 | 111.9 | L199 H204 A370 G371 | L199-D201 PolarHBondContact O-N 3.05Å; D201-H204 PolarHBondContact O-CE1 3.49Å; D201-H204 VanDerWaalsContact O-CE1 3.26Å; D201-A370 WeakPolarHBondContact OD1-CA 3.12Å; D201-G371 PolarHBondContact OD1-N 2.74Å | ||
| 202 | G | 95.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 117.8 | -173.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P200 G244 Q245 S246 | P200-G202 PolarHBondContact O-N 3.05Å; G202-G244 CarbonylContact O-C 3.2Å; G202-G244 VanDerWaalsContact O-CA 3.27Å; G202-G244 WeakPolarHBondContact O-CA 3.35Å; G202-Q245 PolarHBondContact O-N 3.21Å; G202-S246 WeakPolarHBondContact O-CA 3.24Å; G202-S246 WeakPolarHBondContact O-CB 3.33Å; G202-S246 PolarHBondContact O-N 3.03Å |
| 203 | D | 96.8 | Very high | 97.9 | Very high | 121 Ų | 121 | 34.4 Ų | 34.4 | 65% | 0.647 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -109.2 | 3.9 | -174 | 62.1 | -11.3 | 0 | 0 | 0 | 113.8 | C247 | D203-C247 WeakPolarHBondContact O-CB 3.31Å; D203-C247 PolarHBondContact O-SG 3.5Å; D203-C247 VanDerWaalsContact O-SG 3.41Å |
| 204 | H | 98.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 35 Ų | 35 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | trans | -57.7 | 141.3 | -177.8 | 56 | -94.6 | 0 | 0 | 0 | 112.4 | I161 D201 R208 G244 | I161-H204 HydrophobicContact CG2-CB 3.79Å; D201-H204 PolarHBondContact O-CE1 3.49Å; D201-H204 VanDerWaalsContact O-CE1 3.26Å; H204-R208 HydrophobicContact CB-CB 4.14Å; H204-R208 HydrophobicContact CB-CG 3.82Å; H204-G244 PolarHBondContact CD2-N 2.9Å; H204-G244 VanDerWaalsContact CD2-N 3.31Å; H204-G244 VanDerWaalsContact CE1-CA 3.43Å; H204-G244 WeakPolarHBondContact CE1-CA 3.46Å; H204-G244 VanDerWaalsContact NE2-CA 3.3Å; H204-G244 WeakPolarHBondContact NE2-CA 3.13Å; H204-G244 PolarHBondContact NE2-N 3.12Å; H204-G244 PolarHBondContact O-N 2.93Å | ||
| 205 | D | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 37 Ų | 37 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | trans | -76.8 | 174.4 | 177.3 | 69.6 | 16.2 | 0 | 0 | 0 | 112.7 | H207 R208 A209 | D205-H207 VanDerWaalsContact C-N 3.26Å; D205-H207 PolarHBondContact O-N 3.11Å; D205-H207 PolarHBondContact OD1-N 3.47Å; D205-H207 VanDerWaalsContact OD1-N 3.13Å; D205-R208 PolarHBondContact O-N 3.13Å; D205-R208 VanDerWaalsContact OD1-CB 3.31Å; D205-R208 WeakPolarHBondContact OD1-CB 3.32Å; D205-R208 PolarHBondContact OD1-N 3.21Å; D205-A209 PolarHBondContact O-N 3.14Å | ||
| 206 | L | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 37 Ų | 37 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 179.3 | -172.1 | 69.5 | 0 | 0 | 0 | 112.4 | A209 Q210 V241 P243 A251 D255 I256 A259 | L206-A209 PolarHBondContact O-N 2.95Å; L206-Q210 WeakPolarHBondContact O-CB 3.49Å; L206-Q210 PolarHBondContact O-N 3.13Å; L206-V241 HydrophobicContact CD1-CG1 3.96Å; L206-V241 VanDerWaalsContact CD1-O 3.28Å; L206-V241 WeakPolarHBondContact CD1-O 3.28Å; L206-P243 HydrophobicContact CB-CG 4.17Å; L206-P243 HydrophobicContact CD1-CG 4.34Å; L206-A251 HydrophobicContact CD1-CB 4.23Å; L206-A251 HydrophobicContact CD2-CB 4.01Å; L206-D255 HydrophobicContact CD2-CB 3.8Å; L206-I256 HydrophobicContact CD1-CG1 4.39Å; L206-A259 HydrophobicContact CD1-CB 4.03Å; L206-A259 HydrophobicContact CD2-CB 4.11Å; L206-A259 HydrophobicContact CG-CB 4.02Å |
| 207 | H | 98.1 | Very high | 98 | Very high | 140 Ų | 140 | 37.1 Ų | 37.1 | 65% | 0.648 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -68.4 | -43.9 | -177.7 | 175.9 | -98.1 | 0 | 0 | 0 | 111.1 | D205 Q210 K211 | D205-H207 VanDerWaalsContact C-N 3.26Å; D205-H207 PolarHBondContact O-N 3.11Å; D205-H207 PolarHBondContact OD1-N 3.47Å; D205-H207 VanDerWaalsContact OD1-N 3.13Å; H207-Q210 PolarHBondContact O-N 3.42Å; H207-K211 WeakPolarHBondContact O-CB 3.45Å; H207-K211 PolarHBondContact O-N 3.05Å |
| 208 | R | 98.2 | Very high | 98 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 35% | 0.347 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 173.1 | 179.1 | 59.9 | 175.6 | 169.8 | 0.6 | 111 | I161 G162 H204 D205 Q210 K211 V212 | I161-R208 HydrophobicContact CG2-CG 4.04Å; G162-R208 PolarHBondContact O-NH2 3.14Å; H204-R208 HydrophobicContact CB-CB 4.14Å; H204-R208 HydrophobicContact CB-CG 3.82Å; D205-R208 PolarHBondContact O-N 3.13Å; D205-R208 VanDerWaalsContact OD1-CB 3.31Å; D205-R208 WeakPolarHBondContact OD1-CB 3.32Å; D205-R208 PolarHBondContact OD1-N 3.21Å; R208-Q210 VanDerWaalsContact C-N 3.33Å; R208-Q210 PolarHBondContact O-N 2.88Å; R208-K211 PolarHBondContact O-N 2.97Å; R208-V212 WeakPolarHBondContact O-CG2 3.37Å; R208-V212 PolarHBondContact O-N 3.44Å |
| 209 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I161 D205 L206 V212 T213 V241 T242 | I161-A209 HydrophobicContact CD1-CB 4.47Å; D205-A209 PolarHBondContact O-N 3.14Å; L206-A209 PolarHBondContact O-N 2.95Å; A209-V212 PolarHBondContact O-N 2.91Å; A209-T213 WeakPolarHBondContact O-CB 3.29Å; A209-T213 PolarHBondContact O-N 3.44Å; A209-T213 PolarHBondContact O-OG1 2.74Å; A209-V241 HydrophobicContact CB-CG1 3.93Å; A209-T242 WeakPolarHBondContact CB-O 3.48Å |
| 210 | Q | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 177.6 | -170.4 | -173 | -47.6 | 0 | 0 | 110.8 | L206 H207 R208 V212 T213 E214 V241 A259 I262 A263 | L206-Q210 WeakPolarHBondContact O-CB 3.49Å; L206-Q210 PolarHBondContact O-N 3.13Å; H207-Q210 PolarHBondContact O-N 3.42Å; R208-Q210 VanDerWaalsContact C-N 3.33Å; R208-Q210 PolarHBondContact O-N 2.88Å; Q210-V212 VanDerWaalsContact C-N 3.34Å; Q210-V212 PolarHBondContact O-N 2.88Å; Q210-T213 PolarHBondContact O-N 2.71Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.2Å; Q210-E214 PolarHBondContact NE2-OE1 3.16Å; Q210-E214 WeakPolarHBondContact O-CG 3.41Å; Q210-E214 PolarHBondContact O-N 3.43Å; Q210-V241 HydrophobicContact CB-CG1 3.81Å; Q210-V241 HydrophobicContact CG-CG1 4.46Å; Q210-A259 HydrophobicContact CB-CB 4.38Å; Q210-A259 HydrophobicContact CG-CB 4.28Å; Q210-I262 VanDerWaalsContact NE2-CG2 3.33Å; Q210-A263 HydrophobicContact CG-CB 4.3Å |
| 211 | K | 98.7 | Very high | 98.3 | Very high | 107 Ų | 107 | 42.3 Ų | 42.3 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.8 | -39 | -176.8 | -175.9 | 57.2 | -175.8 | 171.8 | 0 | 112.4 | H207 R208 T215 | H207-K211 WeakPolarHBondContact O-CB 3.45Å; H207-K211 PolarHBondContact O-N 3.05Å; R208-K211 PolarHBondContact O-N 2.97Å; K211-T215 PolarHBondContact O-N 3.41Å; K211-T215 PolarHBondContact O-OG1 2.75Å |
| 212 | V | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -47.9 | 174.8 | 173 | 0 | 0 | 0 | 0 | 110.1 | I161 P166 V198 R208 A209 Q210 E214 T215 V216 | I161-V212 HydrophobicContact CD1-CB 3.95Å; I161-V212 HydrophobicContact CD1-CG1 4.15Å; I161-V212 HydrophobicContact CD1-CG2 4.14Å; I161-V212 HydrophobicContact CG1-CB 4.11Å; I161-V212 HydrophobicContact CG1-CG1 3.87Å; I161-V212 HydrophobicContact CG1-CG2 4.08Å; P166-V212 HydrophobicContact CG-CG1 3.73Å; V198-V212 HydrophobicContact CG1-CG1 4.06Å; V198-V212 HydrophobicContact CG2-CG1 4.32Å; R208-V212 WeakPolarHBondContact O-CG2 3.37Å; R208-V212 PolarHBondContact O-N 3.44Å; A209-V212 PolarHBondContact O-N 2.91Å; Q210-V212 VanDerWaalsContact C-N 3.34Å; Q210-V212 PolarHBondContact O-N 2.88Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.35Å; V212-T215 PolarHBondContact O-N 2.75Å; V212-V216 HydrophobicContact CG1-CG2 4.01Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 2.79Å |
| 213 | T | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56 | -46 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | A209 Q210 T215 V216 L217 V241 A263 | A209-T213 WeakPolarHBondContact O-CB 3.29Å; A209-T213 PolarHBondContact O-N 3.44Å; A209-T213 PolarHBondContact O-OG1 2.74Å; Q210-T213 PolarHBondContact O-N 2.71Å; T213-T215 VanDerWaalsContact C-N 3.32Å; T213-T215 PolarHBondContact O-N 3.46Å; T213-V216 PolarHBondContact O-N 2.93Å; T213-L217 HydrophobicContact CG2-CD1 4.01Å; T213-L217 HydrophobicContact CG2-CG 4.39Å; T213-L217 WeakPolarHBondContact O-CB 3.35Å; T213-L217 VanDerWaalsContact O-CG 3.28Å; T213-L217 WeakPolarHBondContact O-CG 3.47Å; T213-L217 PolarHBondContact O-N 3.49Å; T213-V241 HydrophobicContact CG2-CG2 4Å; T213-A263 HydrophobicContact CG2-CB 4.28Å |
| 214 | E | 98.7 | Very high | 98.6 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 173.9 | -76.5 | 173.4 | -160.1 | 0 | 0 | 112.3 | Q210 V212 L217 A218 A263 R266 T267 | Q210-E214 WeakPolarHBondContact CG-OE1 3.2Å; Q210-E214 PolarHBondContact NE2-OE1 3.16Å; Q210-E214 WeakPolarHBondContact O-CG 3.41Å; Q210-E214 PolarHBondContact O-N 3.43Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.35Å; E214-L217 PolarHBondContact O-N 3.25Å; E214-A218 WeakPolarHBondContact O-CB 3.24Å; E214-A218 PolarHBondContact O-N 3.15Å; E214-A263 HydrophobicContact CG-CB 3.76Å; E214-R266 VanDerWaalsContact CD-CD 3.42Å; E214-R266 VanDerWaalsContact CD-NH1 3.31Å; E214-R266 VanDerWaalsContact OE1-CD 3.28Å; E214-R266 WeakPolarHBondContact OE1-CD 3.32Å; E214-R266 IonicContact OE1-CZ 3.9Å; E214-R266 IonicContact OE1-NE 3.41Å; E214-R266 IonicContact OE1-NH1 3.82Å; E214-R266 PolarHBondContact OE1-NH1 3.5Å; E214-R266 WeakPolarHBondContact OE2-CD 3.49Å; E214-R266 IonicContact OE2-NH1 3.77Å; E214-R266 PolarHBondContact OE2-NH1 2.78Å; E214-R266 VanDerWaalsContact OE2-NH1 3.11Å; E214-T267 HydrophobicContact CB-CG2 4.18Å; E214-T267 HydrophobicContact CG-CG2 4.44Å; E214-T267 VanDerWaalsContact O-CG2 3.23Å; E214-T267 WeakPolarHBondContact O-CG2 3.3Å |
| 215 | T | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -48.4 | -178.2 | -53 | 0 | 0 | 0 | 0 | 110.2 | M171 K211 V212 T213 L217 A218 Y219 | M171-T215 HydrophobicContact CE-CG2 4Å; M171-T215 HydrophobicContact SD-CG2 3.65Å; K211-T215 PolarHBondContact O-N 3.41Å; K211-T215 PolarHBondContact O-OG1 2.75Å; V212-T215 PolarHBondContact O-N 2.75Å; T213-T215 VanDerWaalsContact C-N 3.32Å; T213-T215 PolarHBondContact O-N 3.46Å; T215-L217 PolarHBondContact O-N 2.94Å; T215-A218 WeakPolarHBondContact O-CB 3.49Å; T215-A218 PolarHBondContact O-N 3.46Å; T215-A218 VanDerWaalsContact O-N 3.13Å; T215-Y219 HydrophobicContact CG2-CD2 4.09Å; T215-Y219 HydrophobicContact CG2-CE2 3.83Å; T215-Y219 VanDerWaalsContact O-CD2 3.3Å; T215-Y219 WeakPolarHBondContact O-CD2 3.32Å; T215-Y219 PolarHBondContact O-N 3Å; T215-Y219 VanDerWaalsContact O-N 3.08Å |
| 216 | V | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 112 | L159 P166 M171 P196 V198 V212 T213 A218 Y219 T220 | L159-V216 HydrophobicContact CD1-CG1 3.82Å; L159-V216 HydrophobicContact CD2-CG1 3.99Å; L159-V216 HydrophobicContact CD2-CG2 3.72Å; L159-V216 HydrophobicContact CG-CG1 4.49Å; P166-V216 HydrophobicContact CG-CG2 4.14Å; M171-V216 HydrophobicContact CG-CG2 4.2Å; M171-V216 HydrophobicContact SD-CG2 4.02Å; P196-V216 HydrophobicContact CB-CG1 3.87Å; V198-V216 HydrophobicContact CG2-CB 4.27Å; V198-V216 HydrophobicContact CG2-CG1 4.34Å; V198-V216 HydrophobicContact CG2-CG2 4.02Å; V212-V216 HydrophobicContact CG1-CG2 4.01Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 2.79Å; T213-V216 PolarHBondContact O-N 2.93Å; V216-A218 VanDerWaalsContact C-N 3.33Å; V216-A218 PolarHBondContact O-N 3.48Å; V216-Y219 PolarHBondContact O-N 2.8Å; V216-T220 WeakPolarHBondContact O-CB 3.16Å; V216-T220 PolarHBondContact O-N 3.01Å; V216-T220 PolarHBondContact O-OG1 2.58Å |
| 217 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 177.1 | -69.5 | 177.6 | 0 | 0 | 0 | 111.9 | P196 T213 E214 T215 T220 Y221 L236 L264 T267 V268 | P196-L217 HydrophobicContact CG-CD2 4.11Å; T213-L217 HydrophobicContact CG2-CD1 4.01Å; T213-L217 HydrophobicContact CG2-CG 4.39Å; T213-L217 WeakPolarHBondContact O-CB 3.35Å; T213-L217 VanDerWaalsContact O-CG 3.28Å; T213-L217 WeakPolarHBondContact O-CG 3.47Å; T213-L217 PolarHBondContact O-N 3.49Å; E214-L217 PolarHBondContact O-N 3.25Å; T215-L217 PolarHBondContact O-N 2.94Å; L217-T220 PolarHBondContact O-N 2.78Å; L217-Y221 WeakPolarHBondContact O-CD2 2.91Å; L217-Y221 PolarHBondContact O-N 2.65Å; L217-L236 HydrophobicContact CD2-CD1 3.85Å; L217-L236 HydrophobicContact CD2-CD2 3.78Å; L217-L236 HydrophobicContact CD2-CG 4.41Å; L217-L264 HydrophobicContact CD1-CD2 4.12Å; L217-T267 HydrophobicContact CB-CG2 4.13Å; L217-T267 VanDerWaalsContact CB-OG1 3.32Å; L217-T267 WeakPolarHBondContact CB-OG1 3.19Å; L217-T267 WeakPolarHBondContact CD1-OG1 3.29Å; L217-V268 HydrophobicContact CD1-CG2 4.43Å |
| 218 | A | 98.8 | Very high | 98.1 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 42% | 0.421 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | E214 T215 V216 K222 T267 | E214-A218 WeakPolarHBondContact O-CB 3.24Å; E214-A218 PolarHBondContact O-N 3.15Å; T215-A218 WeakPolarHBondContact O-CB 3.49Å; T215-A218 PolarHBondContact O-N 3.46Å; T215-A218 VanDerWaalsContact O-N 3.13Å; V216-A218 VanDerWaalsContact C-N 3.33Å; V216-A218 PolarHBondContact O-N 3.48Å; A218-K222 VanDerWaalsContact O-CB 3.26Å; A218-K222 WeakPolarHBondContact O-CB 3.46Å; A218-K222 PolarHBondContact O-N 3.23Å; A218-T267 HydrophobicContact CB-CG2 4.48Å |
| 219 | Y | 98.8 | Very high | 98.1 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 29% | 0.286 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 172.3 | -82.8 | -92.5 | 0 | 0 | 0 | 111.4 | H168 M171 M172 A175 T215 V216 K222 A223 | H168-Y219 AromaticContact CE1-CE1 3.74Å; H168-Y219 AromaticContact ND1-CE1 3.51Å; H168-Y219 AromaticContact ND1-CZ 3.49Å; H168-Y219 PolarHBondContact ND1-OH 2.89Å; M171-Y219 HydrophobicContact CB-CD1 4.03Å; M171-Y219 HydrophobicContact CB-CD2 3.81Å; M171-Y219 HydrophobicContact CB-CE1 4.4Å; M171-Y219 HydrophobicContact CB-CE2 4.22Å; M171-Y219 HydrophobicContact CB-CG 3.74Å; M171-Y219 HydrophobicContact CE-CD2 4.25Å; M171-Y219 HydrophobicContact CE-CE2 3.74Å; M171-Y219 HydrophobicContact CG-CD2 4.42Å; M171-Y219 HydrophobicContact SD-CD2 3.85Å; M171-Y219 HydrophobicContact SD-CE2 3.94Å; M172-Y219 HydrophobicContact CB-CD1 4.4Å; M172-Y219 HydrophobicContact CB-CE1 4.47Å; A175-Y219 WeakPolarHBondContact CB-O 3.06Å; T215-Y219 HydrophobicContact CG2-CD2 4.09Å; T215-Y219 HydrophobicContact CG2-CE2 3.83Å; T215-Y219 VanDerWaalsContact O-CD2 3.3Å; T215-Y219 WeakPolarHBondContact O-CD2 3.32Å; T215-Y219 PolarHBondContact O-N 3Å; T215-Y219 VanDerWaalsContact O-N 3.08Å; V216-Y219 PolarHBondContact O-N 2.8Å; Y219-K222 PolarHBondContact O-N 3.34Å; Y219-A223 PolarHBondContact O-N 3.41Å |
| 220 | T | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -53.5 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | L178 P196 V216 L217 K222 A223 L224 | L178-T220 HydrophobicContact CD1-CG2 4.35Å; P196-T220 HydrophobicContact CG-CG2 4.24Å; V216-T220 WeakPolarHBondContact O-CB 3.16Å; V216-T220 PolarHBondContact O-N 3.01Å; V216-T220 PolarHBondContact O-OG1 2.58Å; L217-T220 PolarHBondContact O-N 2.78Å; T220-K222 PolarHBondContact O-N 3.31Å; T220-A223 PolarHBondContact O-N 3.02Å; T220-L224 HydrophobicContact CG2-CD1 4.11Å; T220-L224 WeakPolarHBondContact O-CG 3.36Å; T220-L224 PolarHBondContact O-N 3.29Å |
| 221 | Y | 98.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.4 | -27.6 | -178.3 | -79.3 | -72.3 | 0 | 0 | 0 | 113.6 | L217 L224 S225 L231 L236 T267 V268 P269 V272 | L217-Y221 WeakPolarHBondContact O-CD2 2.91Å; L217-Y221 PolarHBondContact O-N 2.65Å; Y221-L224 HydrophobicContact CD1-CD1 3.73Å; Y221-L224 HydrophobicContact CE1-CD1 3.8Å; Y221-L224 HydrophobicContact CG-CD1 4.43Å; Y221-S225 WeakPolarHBondContact O-CB 3.13Å; Y221-S225 PolarHBondContact O-N 3.02Å; Y221-L231 HydrophobicContact CD1-CD2 4.39Å; Y221-L231 HydrophobicContact CE1-CD2 4.39Å; Y221-L236 HydrophobicContact CE2-CD2 4.22Å; Y221-T267 WeakPolarHBondContact CD2-O 3.26Å; Y221-V268 HydrophobicContact CE2-CB 4.19Å; Y221-V268 HydrophobicContact CE2-CG1 4.15Å; Y221-V268 HydrophobicContact CE2-CG2 3.82Å; Y221-P269 HydrophobicContact CD1-CG 3.75Å; Y221-P269 VanDerWaalsContact CE1-CD 3.47Å; Y221-P269 HydrophobicContact CE1-CG 4.21Å; Y221-P269 HydrophobicContact CG-CG 4.15Å; Y221-V272 HydrophobicContact CE1-CG2 3.66Å |
| 222 | K | 98.6 | Very high | 98.1 | Very high | 122 Ų | 122 | 37 Ų | 37 | 53% | 0.53 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.4 | -48.7 | 168.9 | 179.6 | 57.8 | 168.8 | 74.3 | 0 | 110.9 | A218 Y219 T220 S225 D226 | A218-K222 VanDerWaalsContact O-CB 3.26Å; A218-K222 WeakPolarHBondContact O-CB 3.46Å; A218-K222 PolarHBondContact O-N 3.23Å; Y219-K222 PolarHBondContact O-N 3.34Å; T220-K222 PolarHBondContact O-N 3.31Å; K222-S225 WeakPolarHBondContact O-CB 3.43Å; K222-S225 PolarHBondContact O-N 3.32Å; K222-D226 IonicContact NZ-OD1 2.75Å; K222-D226 PolarHBondContact NZ-OD1 2.84Å; K222-D226 IonicContact NZ-OD2 3.58Å; K222-D226 PolarHBondContact NZ-OD2 3.15Å; K222-D226 VanDerWaalsContact O-CG 3.22Å; K222-D226 PolarHBondContact O-N 3.4Å |
| 223 | A | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A175 A179 Y219 T220 S225 D226 H227 | A175-A223 HydrophobicContact CB-CB 3.71Å; A175-A223 WeakPolarHBondContact O-CB 3.48Å; A179-A223 HydrophobicContact CB-CB 3.9Å; Y219-A223 PolarHBondContact O-N 3.41Å; T220-A223 PolarHBondContact O-N 3.02Å; A223-S225 VanDerWaalsContact C-N 3.26Å; A223-S225 PolarHBondContact O-N 2.67Å; A223-D226 PolarHBondContact O-N 3.14Å; A223-D226 VanDerWaalsContact O-N 3.14Å; A223-H227 WeakPolarHBondContact O-CB 3.27Å; A223-H227 PolarHBondContact O-CD2 3.25Å; A223-H227 PolarHBondContact O-N 2.83Å |
| 224 | L | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 175.2 | -67.8 | 172.3 | 0 | 0 | 0 | 112.1 | A179 A182 V194 T220 Y221 H228 V229 L231 | A179-L224 HydrophobicContact CB-CD2 4.09Å; A182-L224 HydrophobicContact CB-CD2 3.97Å; V194-L224 HydrophobicContact CG1-CD2 4.29Å; V194-L224 HydrophobicContact CG2-CD1 4.35Å; T220-L224 HydrophobicContact CG2-CD1 4.11Å; T220-L224 WeakPolarHBondContact O-CG 3.36Å; T220-L224 PolarHBondContact O-N 3.29Å; Y221-L224 HydrophobicContact CD1-CD1 3.73Å; Y221-L224 HydrophobicContact CE1-CD1 3.8Å; Y221-L224 HydrophobicContact CG-CD1 4.43Å; L224-H228 PolarHBondContact O-N 2.88Å; L224-V229 HydrophobicContact CB-CB 4.25Å; L224-V229 HydrophobicContact CB-CG2 4.44Å; L224-V229 HydrophobicContact CD2-CB 4.08Å; L224-V229 HydrophobicContact CD2-CG1 4.12Å; L224-V229 HydrophobicContact CD2-CG2 3.81Å; L224-V229 WeakPolarHBondContact O-CB 3.46Å; L224-V229 PolarHBondContact O-N 3.39Å; L224-L231 HydrophobicContact CB-CD2 4.3Å |
| 225 | S | 96.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 36 Ų | 36 | 54% | 0.538 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -43.4 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | Y221 K222 A223 H227 H228 | Y221-S225 WeakPolarHBondContact O-CB 3.13Å; Y221-S225 PolarHBondContact O-N 3.02Å; K222-S225 WeakPolarHBondContact O-CB 3.43Å; K222-S225 PolarHBondContact O-N 3.32Å; A223-S225 VanDerWaalsContact C-N 3.26Å; A223-S225 PolarHBondContact O-N 2.67Å; S225-H227 VanDerWaalsContact C-N 3.27Å; S225-H227 PolarHBondContact O-N 3.44Å; S225-H228 PolarHBondContact O-N 3.35Å; S225-H228 PolarHBondContact O-ND1 2.58Å |
| 226 | D | 95.6 | Very high | 98.1 | Very high | 80 Ų | 80 | 34 Ų | 34 | 43% | 0.428 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.2 | -32.1 | 179.3 | -69.2 | -21.2 | 0 | 0 | 0 | 112.3 | K222 A223 H228 | K222-D226 IonicContact NZ-OD1 2.75Å; K222-D226 PolarHBondContact NZ-OD1 2.84Å; K222-D226 IonicContact NZ-OD2 3.58Å; K222-D226 PolarHBondContact NZ-OD2 3.15Å; K222-D226 VanDerWaalsContact O-CG 3.22Å; K222-D226 PolarHBondContact O-N 3.4Å; A223-D226 PolarHBondContact O-N 3.14Å; A223-D226 VanDerWaalsContact O-N 3.14Å; D226-H228 VanDerWaalsContact C-N 3.29Å |
| 227 | H | 95 | Very high | 98.1 | Very high | 62 Ų | 62 | 34 Ų | 34 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4 | 173.8 | -76.6 | -89.8 | 0 | 0 | 0 | 113.5 | A179 R180 A223 S225 V229 | A179-H227 HydrophobicContact CB-CB 3.94Å; A179-H227 WeakPolarHBondContact CB-CD2 3.28Å; R180-H227 VanDerWaalsContact CG-CE1 3.47Å; R180-H227 WeakPolarHBondContact CG-CE1 3.43Å; A223-H227 WeakPolarHBondContact O-CB 3.27Å; A223-H227 PolarHBondContact O-CD2 3.25Å; A223-H227 PolarHBondContact O-N 2.83Å; S225-H227 VanDerWaalsContact C-N 3.27Å; S225-H227 PolarHBondContact O-N 3.44Å; H227-V229 HydrophobicContact CB-CG2 4.09Å; H227-V229 PolarHBondContact O-N 2.84Å |
| 228 | H | 95.5 | Very high | 98.1 | Very high | 87 Ų | 87 | 34 Ų | 34 | 40% | 0.403 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 33.1 | 178.8 | -48.2 | -53.6 | 0 | 0 | 0 | 113.8 | Y4 Y7 L224 S225 D226 F230 | Y4-H228 VanDerWaalsContact CB-CE1 3.46Å; Y4-H228 WeakPolarHBondContact CB-CE1 3.16Å; Y4-H228 VanDerWaalsContact CB-NE2 3.28Å; Y4-H228 WeakPolarHBondContact CB-NE2 3.33Å; Y7-H228 WeakPolarHBondContact CE1-O 3.42Å; L224-H228 PolarHBondContact O-N 2.88Å; S225-H228 PolarHBondContact O-N 3.35Å; S225-H228 PolarHBondContact O-ND1 2.58Å; D226-H228 VanDerWaalsContact C-N 3.29Å; H228-F230 PolarHBondContact O-N 2.77Å |
| 229 | V | 98 | Very high | 98 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | trans | -62.6 | 131.7 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 110 | A182 S183 L224 H227 L231 T234 | A182-V229 HydrophobicContact CB-CG1 3.99Å; A182-V229 HydrophobicContact CB-CG2 4.02Å; S183-V229 WeakPolarHBondContact OG-CG2 3.28Å; L224-V229 HydrophobicContact CB-CB 4.25Å; L224-V229 HydrophobicContact CB-CG2 4.44Å; L224-V229 HydrophobicContact CD2-CB 4.08Å; L224-V229 HydrophobicContact CD2-CG1 4.12Å; L224-V229 HydrophobicContact CD2-CG2 3.81Å; L224-V229 WeakPolarHBondContact O-CB 3.46Å; L224-V229 PolarHBondContact O-N 3.39Å; H227-V229 HydrophobicContact CB-CG2 4.09Å; H227-V229 PolarHBondContact O-N 2.84Å; V229-L231 PolarHBondContact O-N 3.27Å; V229-L231 VanDerWaalsContact O-N 3.08Å; V229-T234 HydrophobicContact CG1-CG2 3.52Å | ||
| 230 | F | 98.2 | Very high | 98 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.088 | 15% | 0.147 | C | C | . | . | trans | -75.4 | 98.1 | 179.2 | 173.8 | -115 | 0 | 0 | 0 | 110.4 | L8 Q13 Q186 H228 E232 G233 T234 | L8-F230 HydrophobicContact CD1-CB 3.64Å; L8-F230 HydrophobicContact CD1-CD1 4.31Å; L8-F230 HydrophobicContact CD1-CG 4.21Å; Q13-F230 HydrophobicContact CB-CD1 4.29Å; Q13-F230 HydrophobicContact CB-CE1 3.75Å; Q13-F230 HydrophobicContact CB-CE2 4.28Å; Q13-F230 HydrophobicContact CB-CZ 3.72Å; Q13-F230 HydrophobicContact CG-CD1 4.1Å; Q13-F230 HydrophobicContact CG-CD2 4.2Å; Q13-F230 HydrophobicContact CG-CE1 4.03Å; Q13-F230 HydrophobicContact CG-CE2 4.13Å; Q13-F230 HydrophobicContact CG-CG 4.17Å; Q13-F230 HydrophobicContact CG-CZ 4.02Å; Q13-F230 WeakPolarHBondContact O-CE1 3.37Å; Q186-F230 PolarHBondContact NE2-O 3.12Å; H228-F230 PolarHBondContact O-N 2.77Å; F230-E232 WeakPolarHBondContact CD2-OE2 3.4Å; F230-E232 HydrophobicContact CE1-CB 3.96Å; F230-E232 HydrophobicContact CE2-CB 4Å; F230-E232 HydrophobicContact CE2-CG 4.31Å; F230-E232 WeakPolarHBondContact CE2-OE2 3.43Å; F230-E232 HydrophobicContact CZ-CB 3.59Å; F230-E232 HydrophobicContact CZ-CG 4.3Å; F230-E232 PolarHBondContact O-N 3.27Å; F230-G233 PolarHBondContact O-N 3.37Å; F230-T234 WeakPolarHBondContact O-CG2 3.45Å | ||
| 231 | L | 98.6 | Very high | 98 | Very high | 34 Ų | 34 | 29 Ų | 29 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -63.9 | -35 | -166.1 | -62.5 | -176.6 | 0 | 0 | 0 | 114 | Y221 L224 V229 G233 T234 P269 A271 V272 P273 | Y221-L231 HydrophobicContact CD1-CD2 4.39Å; Y221-L231 HydrophobicContact CE1-CD2 4.39Å; L224-L231 HydrophobicContact CB-CD2 4.3Å; V229-L231 PolarHBondContact O-N 3.27Å; V229-L231 VanDerWaalsContact O-N 3.08Å; L231-G233 PolarHBondContact O-N 2.91Å; L231-G233 VanDerWaalsContact O-N 3.12Å; L231-T234 PolarHBondContact O-N 2.87Å; L231-T234 PolarHBondContact O-OG1 3.4Å; L231-P269 HydrophobicContact CD1-CB 3.8Å; L231-P269 HydrophobicContact CD1-CG 3.82Å; L231-A271 HydrophobicContact CB-CB 4.04Å; L231-A271 HydrophobicContact CD1-CB 4.47Å; L231-V272 HydrophobicContact CB-CG2 4.34Å; L231-P273 WeakPolarHBondContact O-CD 3.32Å |
| 232 | E | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 33% | 0.332 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -64.2 | -15.1 | 177.4 | -61.1 | 86.8 | 151.8 | 0 | 0 | 112.8 | R17 F230 A271 P273 | R17-E232 HydrophobicContact CG-CB 4.49Å; F230-E232 WeakPolarHBondContact CD2-OE2 3.4Å; F230-E232 HydrophobicContact CE1-CB 3.96Å; F230-E232 HydrophobicContact CE2-CB 4Å; F230-E232 HydrophobicContact CE2-CG 4.31Å; F230-E232 WeakPolarHBondContact CE2-OE2 3.43Å; F230-E232 HydrophobicContact CZ-CB 3.59Å; F230-E232 HydrophobicContact CZ-CG 4.3Å; F230-E232 PolarHBondContact O-N 3.27Å; E232-A271 WeakPolarHBondContact CA-O 3.29Å; E232-A271 HydrophobicContact CG-CB 4.28Å; E232-P273 WeakPolarHBondContact O-CG 3.49Å |
| 233 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -108.2 | 25.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q186 P192 F230 L231 | Q186-G233 PolarHBondContact NE2-O 3.48Å; P192-G233 WeakPolarHBondContact CD-O 3.25Å; F230-G233 PolarHBondContact O-N 3.37Å; L231-G233 PolarHBondContact O-N 2.91Å; L231-G233 VanDerWaalsContact O-N 3.12Å |
| 234 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -124.6 | 169.7 | 178.6 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | P192 V229 F230 L231 P273 | P192-T234 HydrophobicContact CG-CG2 3.94Å; V229-T234 HydrophobicContact CG1-CG2 3.52Å; F230-T234 WeakPolarHBondContact O-CG2 3.45Å; L231-T234 PolarHBondContact O-N 2.87Å; L231-T234 PolarHBondContact O-OG1 3.4Å; T234-P273 VanDerWaalsContact O-CD 3.27Å; T234-P273 WeakPolarHBondContact O-CD 3.08Å | ||
| 235 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.1 | 164.4 | -65.1 | 171.7 | 0 | 0 | 0 | 110.1 | A20 I23 V24 V191 P192 I193 V194 P273 V276 | A20-L235 HydrophobicContact CB-CD2 4.46Å; A20-L235 HydrophobicContact CB-CG 4.48Å; I23-L235 HydrophobicContact CB-CD1 3.81Å; I23-L235 HydrophobicContact CD1-CD1 3.81Å; I23-L235 HydrophobicContact CG1-CD1 4.42Å; I23-L235 HydrophobicContact CG2-CD1 3.46Å; I23-L235 VanDerWaalsContact CG2-CD1 3.46Å; V24-L235 HydrophobicContact CG1-CD1 4.1Å; V24-L235 HydrophobicContact CG1-CD2 3.5Å; V24-L235 HydrophobicContact CG1-CG 4.47Å; V191-L235 HydrophobicContact CG1-CD1 4.45Å; V191-L235 HydrophobicContact CG1-CG 4.27Å; P192-L235 PolarHBondContact O-N 2.75Å; I193-L235 WeakPolarHBondContact CA-O 3.3Å; I193-L235 HydrophobicContact CD1-CD1 4.49Å; I193-L235 HydrophobicContact CG1-CB 4.16Å; I193-L235 HydrophobicContact CG1-CD1 4.3Å; V194-L235 PolarHBondContact N-O 3.01Å; L235-P273 HydrophobicContact CD2-CB 4.29Å; L235-V276 HydrophobicContact CB-CG2 4.36Å; L235-V276 HydrophobicContact CD1-CG1 4.46Å |
| 236 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.3 | 173.9 | 179.7 | 65.8 | 0 | 0 | 0 | 110.1 | V194 P196 L217 Y221 P238 L264 V268 G274 V275 V276 | V194-L236 HydrophobicContact CG2-CD1 4.05Å; P196-L236 HydrophobicContact CG-CD1 4.03Å; L217-L236 HydrophobicContact CD2-CD1 3.85Å; L217-L236 HydrophobicContact CD2-CD2 3.78Å; L217-L236 HydrophobicContact CD2-CG 4.41Å; Y221-L236 HydrophobicContact CE2-CD2 4.22Å; L236-P238 HydrophobicContact CD2-CB 4.29Å; L236-P238 HydrophobicContact CD2-CG 3.89Å; L236-P238 HydrophobicContact CG-CB 4.22Å; L236-P238 HydrophobicContact CG-CG 3.9Å; L236-P238 WeakPolarHBondContact O-CD 3.32Å; L236-L264 HydrophobicContact CD2-CD2 4.03Å; L236-V268 HydrophobicContact CD2-CG2 3.8Å; L236-G274 PolarHBondContact N-O 2.87Å; L236-V275 HydrophobicContact CB-CG1 4.49Å; L236-V275 HydrophobicContact CB-CG2 4.44Å; L236-V275 HydrophobicContact CD2-CG1 4.31Å; L236-V275 HydrophobicContact CD2-CG2 4.36Å; L236-V275 HydrophobicContact CG-CG1 4.46Å; L236-V275 CarbonylContact O-C 3.6Å; L236-V275 WeakPolarHBondContact O-CA 3.32Å; L236-V276 VanDerWaalsContact O-CG2 3.32Å; L236-V276 WeakPolarHBondContact O-CG2 3.45Å; L236-V276 PolarHBondContact O-N 3.42Å |
| 237 | K | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | trans | -118.6 | 83.9 | 170.1 | 177.5 | 162.8 | 177.9 | 175.8 | 0 | 110 | K154 I193 V194 E195 V276 L278 S312 | K154-K237 HydrophobicContact CD-CD 4.37Å; I193-K237 HydrophobicContact CG2-CB 3.43Å; I193-K237 VanDerWaalsContact CG2-CB 3.43Å; I193-K237 HydrophobicContact CG2-CD 4.12Å; I193-K237 HydrophobicContact CG2-CG 4.41Å; V194-K237 PolarHBondContact O-N 3.01Å; E195-K237 VanDerWaalsContact CA-O 3.28Å; E195-K237 WeakPolarHBondContact CA-O 3.38Å; E195-K237 HydrophobicContact CB-CB 3.94Å; E195-K237 HydrophobicContact CB-CD 4.45Å; E195-K237 HydrophobicContact CB-CG 4.13Å; E195-K237 HydrophobicContact CG-CB 4.21Å; E195-K237 HydrophobicContact CG-CD 4.24Å; E195-K237 HydrophobicContact CG-CG 3.87Å; E195-K237 WeakPolarHBondContact CG-O 3.45Å; E195-K237 WeakPolarHBondContact OE2-CD 3.39Å; E195-K237 IonicContact OE2-NZ 2.76Å; K237-V276 WeakPolarHBondContact CA-O 3.44Å; K237-V276 HydrophobicContact CB-CG2 3.95Å; K237-V276 VanDerWaalsContact CG-O 3.29Å; K237-V276 WeakPolarHBondContact CG-O 3.19Å; K237-L278 HydrophobicContact CG-CB 4.17Å; K237-L278 HydrophobicContact CG-CD2 4.12Å; K237-S312 WeakPolarHBondContact CE-O 3.27Å; K237-S312 PolarHBondContact NZ-O 3.05Å; K237-S312 PolarHBondContact NZ-OG 3.4Å | ||
| 238 | P | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -95.8 | 170.4 | 179.3 | 36.7 | -25.3 | 0 | 0 | 0 | 110.3 | L236 L264 V275 F277 L278 | L236-P238 HydrophobicContact CD2-CB 4.29Å; L236-P238 HydrophobicContact CD2-CG 3.89Å; L236-P238 HydrophobicContact CG-CB 4.22Å; L236-P238 HydrophobicContact CG-CG 3.9Å; L236-P238 WeakPolarHBondContact O-CD 3.32Å; P238-L264 HydrophobicContact CG-CD2 4.48Å; P238-V275 HydrophobicContact CG-CG1 3.43Å; P238-V275 VanDerWaalsContact CG-CG1 3.43Å; P238-F277 HydrophobicContact CG-CD1 3.84Å; P238-F277 HydrophobicContact CG-CE1 3.85Å; P238-L278 WeakPolarHBondContact O-CG 3.48Å; P238-L278 PolarHBondContact O-N 2.65Å; P238-L278 VanDerWaalsContact O-N 3.12Å |
| 239 | N | 98.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 155.3 | 160.5 | 59.2 | -73.7 | 0 | 0 | 0 | 110.6 | V198 L278 | V198-N239 WeakPolarHBondContact CB-OD1 3.47Å; V198-N239 PolarHBondContact N-OD1 3.34Å; V198-N239 VanDerWaalsContact N-OD1 3.12Å; N239-L278 HydrophobicContact CB-CD1 4.35Å |
| 240 | M | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 147.6 | 156.8 | -58.8 | 175.8 | -171.4 | 0 | 0 | 108.2 | T242 I256 F277 N290 L291 I294 F313 | M240-T242 HydrophobicContact CB-CG2 4.49Å; M240-T242 PolarHBondContact O-N 3.25Å; M240-T242 VanDerWaalsContact O-N 3.13Å; M240-I256 HydrophobicContact CB-CG2 4.4Å; M240-F277 HydrophobicContact CE-CB 3.69Å; M240-F277 HydrophobicContact CE-CG 4.17Å; M240-F277 HydrophobicContact CG-CB 4.11Å; M240-F277 HydrophobicContact CG-CD1 3.91Å; M240-F277 HydrophobicContact CG-CG 4.05Å; M240-N290 HydrophobicContact SD-CB 3.7Å; M240-L291 HydrophobicContact CE-CB 3.85Å; M240-L291 HydrophobicContact CE-CD1 4.36Å; M240-I294 HydrophobicContact CB-CD1 4.38Å; M240-I294 HydrophobicContact CE-CD1 4.41Å; M240-I294 HydrophobicContact CG-CD1 3.77Å; M240-I294 HydrophobicContact SD-CD1 4.01Å; M240-F313 HydrophobicContact CE-CE1 3.94Å; M240-F313 HydrophobicContact CE-CZ 3.68Å |
| 241 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -79.1 | 101.3 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | L206 A209 Q210 T213 I256 A259 T260 A263 | L206-V241 HydrophobicContact CD1-CG1 3.96Å; L206-V241 VanDerWaalsContact CD1-O 3.28Å; L206-V241 WeakPolarHBondContact CD1-O 3.28Å; A209-V241 HydrophobicContact CB-CG1 3.93Å; Q210-V241 HydrophobicContact CB-CG1 3.81Å; Q210-V241 HydrophobicContact CG-CG1 4.46Å; T213-V241 HydrophobicContact CG2-CG2 4Å; V241-I256 WeakPolarHBondContact O-CG2 3.33Å; V241-A259 HydrophobicContact CB-CB 4.03Å; V241-A259 HydrophobicContact CG1-CB 3.73Å; V241-T260 PolarHBondContact N-OG1 2.93Å; V241-A263 HydrophobicContact CG2-CB 4.23Å | ||
| 242 | T | 98.5 | Very high | 97.4 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | trans | -117.6 | 153.8 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | A209 M240 I256 | A209-T242 WeakPolarHBondContact CB-O 3.48Å; M240-T242 HydrophobicContact CB-CG2 4.49Å; M240-T242 PolarHBondContact O-N 3.25Å; M240-T242 VanDerWaalsContact O-N 3.13Å; T242-I256 HydrophobicContact CG2-CD1 4.12Å; T242-I256 HydrophobicContact CG2-CG1 4.41Å; T242-I256 HydrophobicContact CG2-CG2 4.3Å | ||
| 243 | P | 98 | Very high | 97.4 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | trans | -57.5 | 157.1 | 162.5 | -16.3 | 30.3 | 0 | 0 | 0 | 110.2 | L206 C247 A251 | L206-P243 HydrophobicContact CB-CG 4.17Å; L206-P243 HydrophobicContact CD1-CG 4.34Å; P243-C247 HydrophobicContact CB-CB 3.79Å; P243-A251 HydrophobicContact CG-CB 3.74Å | ||
| 244 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -56.2 | 150.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P200 G202 H204 S246 C247 R250 | P200-G244 CarbonylContact O-C 3.57Å; P200-G244 VanDerWaalsContact O-CA 3.28Å; P200-G244 WeakPolarHBondContact O-CA 3.28Å; G202-G244 CarbonylContact O-C 3.2Å; G202-G244 VanDerWaalsContact O-CA 3.27Å; G202-G244 WeakPolarHBondContact O-CA 3.35Å; H204-G244 PolarHBondContact CD2-N 2.9Å; H204-G244 VanDerWaalsContact CD2-N 3.31Å; H204-G244 VanDerWaalsContact CE1-CA 3.43Å; H204-G244 WeakPolarHBondContact CE1-CA 3.46Å; H204-G244 VanDerWaalsContact NE2-CA 3.3Å; H204-G244 WeakPolarHBondContact NE2-CA 3.13Å; H204-G244 PolarHBondContact NE2-N 3.12Å; H204-G244 PolarHBondContact O-N 2.93Å; G244-S246 PolarHBondContact O-N 3.36Å; G244-C247 WeakPolarHBondContact O-CB 3.4Å; G244-C247 PolarHBondContact O-N 3.02Å; G244-R250 PolarHBondContact O-NH1 3.12Å | ||
| 245 | Q | 95.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.6 | -175.9 | -172.6 | 61.2 | 18.5 | 0 | 0 | 112.5 | P200 G202 F368 | P200-Q245 PolarHBondContact O-N 3.34Å; G202-Q245 PolarHBondContact O-N 3.21Å; Q245-F368 HydrophobicContact CB-CD1 4.48Å; Q245-F368 HydrophobicContact CB-CD2 4.27Å; Q245-F368 HydrophobicContact CB-CE1 4.26Å; Q245-F368 HydrophobicContact CB-CE2 4.08Å; Q245-F368 HydrophobicContact CB-CG 4.46Å; Q245-F368 HydrophobicContact CB-CZ 4.05Å; Q245-F368 HydrophobicContact CG-CB 4.38Å; Q245-F368 HydrophobicContact CG-CD1 3.67Å; Q245-F368 HydrophobicContact CG-CD2 4.05Å; Q245-F368 HydrophobicContact CG-CE1 3.83Å; Q245-F368 HydrophobicContact CG-CE2 4.23Å; Q245-F368 HydrophobicContact CG-CG 3.76Å; Q245-F368 HydrophobicContact CG-CZ 4.11Å |
| 246 | S | 94.9 | Very high | 97.2 | Very high | 89 Ų | 89 | 42 Ų | 42 | 62% | 0.622 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.3 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | G202 G244 | G202-S246 WeakPolarHBondContact O-CA 3.24Å; G202-S246 WeakPolarHBondContact O-CB 3.33Å; G202-S246 PolarHBondContact O-N 3.03Å; G244-S246 PolarHBondContact O-N 3.36Å |
| 247 | C | 96.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | trans | -68.6 | 125.4 | 177.4 | -169.7 | 0 | 0 | 0 | 0 | 110 | D203 P243 G244 H249 | D203-C247 WeakPolarHBondContact O-CB 3.31Å; D203-C247 PolarHBondContact O-SG 3.5Å; D203-C247 VanDerWaalsContact O-SG 3.41Å; P243-C247 HydrophobicContact CB-CB 3.79Å; G244-C247 WeakPolarHBondContact O-CB 3.4Å; G244-C247 PolarHBondContact O-N 3.02Å; C247-H249 PolarHBondContact O-N 3.27Å | ||
| 248 | P | 94.5 | Very high | 97 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 71% | 0.708 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -67.3 | -24.6 | -178.8 | 26.3 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 249 | H | 93.8 | Very high | 97 | Very high | 150 Ų | 150 | 46.2 Ų | 46.2 | 69% | 0.694 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -99.5 | 105.4 | 179.5 | -60.6 | -63.5 | 0 | 0 | 0 | 110.4 | C247 | C247-H249 PolarHBondContact O-N 3.27Š|
| 250 | R | 94.4 | Very high | 97 | Very high | 124 Ų | 124 | 45.6 Ų | 45.6 | 47% | 0.468 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 142.6 | 174.1 | -56.3 | -57.2 | -66.3 | 176.6 | -5.1 | 110.3 | G244 | G244-R250 PolarHBondContact O-NH1 3.12Š|
| 251 | A | 97.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 150.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L206 P243 D255 I256 | L206-A251 HydrophobicContact CD1-CB 4.23Å; L206-A251 HydrophobicContact CD2-CB 4.01Å; P243-A251 HydrophobicContact CG-CB 3.74Å; A251-D255 HydrophobicContact CB-CB 4.11Å; A251-I256 HydrophobicContact CB-CD1 4.33Å; A251-I256 HydrophobicContact CB-CG1 3.95Å |
| 252 | T | 98.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 159 | 170.9 | 71 | 0 | 0 | 0 | 0 | 110.5 | M254 D255 I256 | T252-M254 PolarHBondContact O-N 2.93Å; T252-D255 WeakPolarHBondContact CB-OD2 3.41Å; T252-D255 PolarHBondContact N-OD2 3.11Å; T252-D255 WeakPolarHBondContact O-CB 3.44Å; T252-D255 PolarHBondContact O-N 3.36Å; T252-D255 VanDerWaalsContact O-N 3.09Å; T252-D255 PolarHBondContact OG1-N 3.31Å; T252-D255 VanDerWaalsContact OG1-N 3.13Å; T252-D255 PolarHBondContact OG1-OD2 2.89Å; T252-I256 PolarHBondContact O-N 2.79Å |
| 253 | P | 98 | Very high | 96.8 | Very high | 51 Ų | 51 | 46 Ų | 46 | 33% | 0.331 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.4 | -36.8 | 173.8 | -27.9 | 35.5 | 0 | 0 | 0 | 113.5 | I256 G257 V289 N290 A293 | P253-I256 PolarHBondContact O-N 3.42Å; P253-G257 PolarHBondContact O-N 3.18Å; P253-V289 HydrophobicContact CB-CG1 3.65Å; P253-V289 HydrophobicContact CG-CG1 3.46Å; P253-V289 VanDerWaalsContact CG-CG1 3.46Å; P253-N290 VanDerWaalsContact CA-OD1 3.26Å; P253-N290 WeakPolarHBondContact CA-OD1 3.35Å; P253-N290 WeakPolarHBondContact CB-OD1 3.41Å; P253-A293 VanDerWaalsContact C-CB 3.47Å; P253-A293 HydrophobicContact CB-CB 3.92Å; P253-A293 WeakPolarHBondContact O-CB 3.38Å |
| 254 | M | 97.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 46 Ų | 46 | 42% | 0.424 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.6 | -35.1 | 177.9 | -171.1 | 56 | 65.4 | 0 | 0 | 112.3 | T252 I256 G257 R258 Y297 | T252-M254 PolarHBondContact O-N 2.93Å; M254-I256 VanDerWaalsContact C-N 3.35Å; M254-G257 PolarHBondContact O-N 3.45Å; M254-R258 WeakPolarHBondContact O-CB 3.3Å; M254-R258 PolarHBondContact O-N 2.88Å; M254-Y297 HydrophobicContact SD-CD2 3.83Å; M254-Y297 HydrophobicContact SD-CG 4.45Å |
| 255 | D | 97.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 172.5 | -67.5 | -52.1 | 0 | 0 | 0 | 111.4 | L206 A251 T252 R258 A259 | L206-D255 HydrophobicContact CD2-CB 3.8Å; A251-D255 HydrophobicContact CB-CB 4.11Å; T252-D255 WeakPolarHBondContact CB-OD2 3.41Å; T252-D255 PolarHBondContact N-OD2 3.11Å; T252-D255 WeakPolarHBondContact O-CB 3.44Å; T252-D255 PolarHBondContact O-N 3.36Å; T252-D255 VanDerWaalsContact O-N 3.09Å; T252-D255 PolarHBondContact OG1-N 3.31Å; T252-D255 VanDerWaalsContact OG1-N 3.13Å; T252-D255 PolarHBondContact OG1-OD2 2.89Å; D255-R258 PolarHBondContact O-N 3.44Å; D255-R258 IonicContact OD1-CZ 2.74Å; D255-R258 IonicContact OD1-NH1 3.75Å; D255-R258 IonicContact OD1-NH2 3.51Å; D255-R258 PolarHBondContact OD1-NH2 2.94Å; D255-A259 VanDerWaalsContact O-CB 3.32Å; D255-A259 WeakPolarHBondContact O-CB 3.14Å; D255-A259 PolarHBondContact O-N 3.42Å |
| 256 | I | 98.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 174.3 | -69.6 | 165.7 | 0 | 0 | 0 | 110.6 | L206 M240 V241 T242 A251 T252 P253 M254 R258 A259 T260 N290 | L206-I256 HydrophobicContact CD1-CG1 4.39Å; M240-I256 HydrophobicContact CB-CG2 4.4Å; V241-I256 WeakPolarHBondContact O-CG2 3.33Å; T242-I256 HydrophobicContact CG2-CD1 4.12Å; T242-I256 HydrophobicContact CG2-CG1 4.41Å; T242-I256 HydrophobicContact CG2-CG2 4.3Å; A251-I256 HydrophobicContact CB-CD1 4.33Å; A251-I256 HydrophobicContact CB-CG1 3.95Å; T252-I256 PolarHBondContact O-N 2.79Å; P253-I256 PolarHBondContact O-N 3.42Å; M254-I256 VanDerWaalsContact C-N 3.35Å; I256-R258 PolarHBondContact O-N 2.94Å; I256-A259 PolarHBondContact O-N 3.47Å; I256-T260 VanDerWaalsContact O-CB 3.26Å; I256-T260 WeakPolarHBondContact O-CB 3.47Å; I256-T260 PolarHBondContact O-N 3.23Å; I256-T260 PolarHBondContact O-OG1 3.04Å; I256-N290 WeakPolarHBondContact CD1-ND2 3.49Å; I256-N290 HydrophobicContact CG2-CB 3.99Å |
| 257 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -49.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | P253 M254 V261 | P253-G257 PolarHBondContact O-N 3.18Å; M254-G257 PolarHBondContact O-N 3.45Å; G257-V261 WeakPolarHBondContact O-CB 3.47Å; G257-V261 VanDerWaalsContact O-CG2 3.31Å; G257-V261 WeakPolarHBondContact O-CG2 3.4Å; G257-V261 PolarHBondContact O-N 3.37Å |
| 258 | R | 96.5 | Very high | 96.9 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -54.6 | 174.8 | 175.2 | -178 | 69.2 | -160.3 | -10.3 | 112 | M254 D255 I256 T260 V261 I262 Y297 | M254-R258 WeakPolarHBondContact O-CB 3.3Å; M254-R258 PolarHBondContact O-N 2.88Å; D255-R258 PolarHBondContact O-N 3.44Å; D255-R258 IonicContact OD1-CZ 2.74Å; D255-R258 IonicContact OD1-NH1 3.75Å; D255-R258 IonicContact OD1-NH2 3.51Å; D255-R258 PolarHBondContact OD1-NH2 2.94Å; I256-R258 PolarHBondContact O-N 2.94Å; R258-T260 VanDerWaalsContact C-N 3.27Å; R258-T260 PolarHBondContact O-N 3.33Å; R258-V261 PolarHBondContact O-N 3.12Å; R258-I262 HydrophobicContact CG-CD1 3.65Å; R258-I262 HydrophobicContact CG-CG1 4.41Å; R258-I262 WeakPolarHBondContact O-CB 3.41Å; R258-I262 VanDerWaalsContact O-CG1 3.29Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.44Å; R258-Y297 HydrophobicContact CB-CD2 4Å; R258-Y297 HydrophobicContact CB-CE1 4.32Å; R258-Y297 HydrophobicContact CB-CE2 3.67Å; R258-Y297 HydrophobicContact CB-CG 4.47Å; R258-Y297 HydrophobicContact CG-CE1 4.29Å; R258-Y297 HydrophobicContact CG-CE2 3.82Å |
| 259 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -40.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L206 Q210 V241 D255 I256 A263 | L206-A259 HydrophobicContact CD1-CB 4.03Å; L206-A259 HydrophobicContact CD2-CB 4.11Å; L206-A259 HydrophobicContact CG-CB 4.02Å; Q210-A259 HydrophobicContact CB-CB 4.38Å; Q210-A259 HydrophobicContact CG-CB 4.28Å; V241-A259 HydrophobicContact CB-CB 4.03Å; V241-A259 HydrophobicContact CG1-CB 3.73Å; D255-A259 VanDerWaalsContact O-CB 3.32Å; D255-A259 WeakPolarHBondContact O-CB 3.14Å; D255-A259 PolarHBondContact O-N 3.42Å; I256-A259 PolarHBondContact O-N 3.47Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 3.19Å |
| 260 | T | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -50.8 | 176.5 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | V241 I256 R258 I262 A263 L264 F277 I294 | V241-T260 PolarHBondContact N-OG1 2.93Å; I256-T260 VanDerWaalsContact O-CB 3.26Å; I256-T260 WeakPolarHBondContact O-CB 3.47Å; I256-T260 PolarHBondContact O-N 3.23Å; I256-T260 PolarHBondContact O-OG1 3.04Å; R258-T260 VanDerWaalsContact C-N 3.27Å; R258-T260 PolarHBondContact O-N 3.33Å; T260-I262 VanDerWaalsContact C-N 3.35Å; T260-I262 PolarHBondContact O-N 3.41Å; T260-A263 PolarHBondContact O-N 2.93Å; T260-L264 HydrophobicContact CG2-CD1 4.47Å; T260-L264 WeakPolarHBondContact O-CG 3.36Å; T260-L264 PolarHBondContact O-N 3.49Å; T260-F277 HydrophobicContact CG2-CD1 4.48Å; T260-F277 HydrophobicContact CG2-CE1 3.44Å; T260-F277 VanDerWaalsContact CG2-CE1 3.44Å; T260-F277 HydrophobicContact CG2-CZ 3.66Å; T260-I294 HydrophobicContact CG2-CD1 3.81Å; T260-I294 HydrophobicContact CG2-CG1 4.16Å |
| 261 | V | 97.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | -179.1 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | G257 R258 A263 L264 Q265 I294 Y297 K305 | G257-V261 WeakPolarHBondContact O-CB 3.47Å; G257-V261 VanDerWaalsContact O-CG2 3.31Å; G257-V261 WeakPolarHBondContact O-CG2 3.4Å; G257-V261 PolarHBondContact O-N 3.37Å; R258-V261 PolarHBondContact O-N 3.12Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 3.36Å; V261-L264 PolarHBondContact O-N 2.73Å; V261-Q265 HydrophobicContact CG1-CG 4.15Å; V261-Q265 WeakPolarHBondContact O-CB 3.36Å; V261-Q265 VanDerWaalsContact O-CG 3.27Å; V261-Q265 WeakPolarHBondContact O-CG 3.48Å; V261-Q265 PolarHBondContact O-N 2.73Å; V261-I294 HydrophobicContact CG2-CG2 4.05Å; V261-Y297 HydrophobicContact CB-CD1 3.68Å; V261-Y297 HydrophobicContact CB-CE1 4.07Å; V261-Y297 HydrophobicContact CG1-CD1 3.8Å; V261-Y297 HydrophobicContact CG1-CE1 4.01Å; V261-Y297 HydrophobicContact CG2-CD1 3.95Å; V261-K305 HydrophobicContact CG1-CD 3.95Å; V261-K305 HydrophobicContact CG1-CG 4.07Å; V261-K305 HydrophobicContact CG2-CD 3.79Å |
| 262 | I | 96.2 | Very high | 97.5 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 14% | 0.138 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.9 | -69.1 | 172.7 | 0 | 0 | 0 | 110.8 | Q210 R258 T260 L264 Q265 R266 | Q210-I262 VanDerWaalsContact NE2-CG2 3.33Å; R258-I262 HydrophobicContact CG-CD1 3.65Å; R258-I262 HydrophobicContact CG-CG1 4.41Å; R258-I262 WeakPolarHBondContact O-CB 3.41Å; R258-I262 VanDerWaalsContact O-CG1 3.29Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.44Å; T260-I262 VanDerWaalsContact C-N 3.35Å; T260-I262 PolarHBondContact O-N 3.41Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 2.81Å; I262-Q265 PolarHBondContact O-N 2.91Å; I262-R266 HydrophobicContact CG2-CG 4.46Å; I262-R266 WeakPolarHBondContact O-CG 3.46Å; I262-R266 PolarHBondContact O-N 3.36Å; I262-R266 VanDerWaalsContact O-N 3.1Å |
| 263 | A | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q210 T213 E214 V241 A259 T260 V261 T267 | Q210-A263 HydrophobicContact CG-CB 4.3Å; T213-A263 HydrophobicContact CG2-CB 4.28Å; E214-A263 HydrophobicContact CG-CB 3.76Å; V241-A263 HydrophobicContact CG2-CB 4.23Å; A259-A263 WeakPolarHBondContact O-CB 3.49Å; A259-A263 PolarHBondContact O-N 3.19Å; T260-A263 PolarHBondContact O-N 2.93Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 3.36Å; A263-T267 PolarHBondContact O-OG1 2.94Å |
| 264 | L | 97.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 176 | -62 | 177.4 | 0 | 0 | 0 | 112 | L217 L236 P238 T260 V261 I262 R266 T267 V268 V275 F277 W307 L309 | L217-L264 HydrophobicContact CD1-CD2 4.12Å; L236-L264 HydrophobicContact CD2-CD2 4.03Å; P238-L264 HydrophobicContact CG-CD2 4.48Å; T260-L264 HydrophobicContact CG2-CD1 4.47Å; T260-L264 WeakPolarHBondContact O-CG 3.36Å; T260-L264 PolarHBondContact O-N 3.49Å; V261-L264 PolarHBondContact O-N 2.73Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 2.81Å; L264-R266 PolarHBondContact O-N 2.89Å; L264-R266 VanDerWaalsContact O-N 3.15Å; L264-T267 PolarHBondContact O-N 3.39Å; L264-V268 HydrophobicContact CB-CG2 4.1Å; L264-V268 HydrophobicContact CD2-CG2 3.64Å; L264-V268 HydrophobicContact CG-CG2 4.46Å; L264-V268 WeakPolarHBondContact O-CB 3.29Å; L264-V268 PolarHBondContact O-N 3.27Å; L264-V275 HydrophobicContact CD1-CG1 4.4Å; L264-V275 HydrophobicContact CD1-CG2 4.17Å; L264-V275 HydrophobicContact CD2-CG1 4.34Å; L264-V275 HydrophobicContact CD2-CG2 4.3Å; L264-F277 HydrophobicContact CD1-CE1 4.38Å; L264-F277 HydrophobicContact CD1-CZ 3.84Å; L264-W307 HydrophobicContact CB-CE3 4.44Å; L264-W307 HydrophobicContact CB-CZ3 4.06Å; L264-L309 HydrophobicContact CD1-CD2 3.87Å |
| 265 | Q | 95.9 | Very high | 97.6 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 34% | 0.336 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.5 | -31.1 | -180 | -77.7 | 174.5 | -16.2 | 0 | 0 | 113.4 | V261 I262 K304 W307 | V261-Q265 HydrophobicContact CG1-CG 4.15Å; V261-Q265 WeakPolarHBondContact O-CB 3.36Å; V261-Q265 VanDerWaalsContact O-CG 3.27Å; V261-Q265 WeakPolarHBondContact O-CG 3.48Å; V261-Q265 PolarHBondContact O-N 2.73Å; I262-Q265 PolarHBondContact O-N 2.91Å; Q265-K304 PolarHBondContact NE2-O 3.22Å; Q265-W307 HydrophobicContact CG-CZ3 4.42Å |
| 266 | R | 95.8 | Very high | 97.7 | Very high | 160 Ų | 160 | 29.6 Ų | 29.6 | 60% | 0.604 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -80.7 | -17.2 | 179.9 | -74.2 | 172.4 | 173.4 | 179 | -0.5 | 113.9 | E214 I262 L264 | E214-R266 VanDerWaalsContact CD-CD 3.42Å; E214-R266 VanDerWaalsContact CD-NH1 3.31Å; E214-R266 VanDerWaalsContact OE1-CD 3.28Å; E214-R266 WeakPolarHBondContact OE1-CD 3.32Å; E214-R266 IonicContact OE1-CZ 3.9Å; E214-R266 IonicContact OE1-NE 3.41Å; E214-R266 IonicContact OE1-NH1 3.82Å; E214-R266 PolarHBondContact OE1-NH1 3.5Å; E214-R266 WeakPolarHBondContact OE2-CD 3.49Å; E214-R266 IonicContact OE2-NH1 3.77Å; E214-R266 PolarHBondContact OE2-NH1 2.78Å; E214-R266 VanDerWaalsContact OE2-NH1 3.11Å; I262-R266 HydrophobicContact CG2-CG 4.46Å; I262-R266 WeakPolarHBondContact O-CG 3.46Å; I262-R266 PolarHBondContact O-N 3.36Å; I262-R266 VanDerWaalsContact O-N 3.1Å; L264-R266 PolarHBondContact O-N 2.89Å; L264-R266 VanDerWaalsContact O-N 3.15Å |
| 267 | T | 97.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 14% | 0.135 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -138 | -29 | -161.6 | 60.7 | 0 | 0 | 0 | 0 | 115.4 | E214 L217 A218 Y221 A263 L264 | E214-T267 HydrophobicContact CB-CG2 4.18Å; E214-T267 HydrophobicContact CG-CG2 4.44Å; E214-T267 VanDerWaalsContact O-CG2 3.23Å; E214-T267 WeakPolarHBondContact O-CG2 3.3Å; L217-T267 HydrophobicContact CB-CG2 4.13Å; L217-T267 VanDerWaalsContact CB-OG1 3.32Å; L217-T267 WeakPolarHBondContact CB-OG1 3.19Å; L217-T267 WeakPolarHBondContact CD1-OG1 3.29Å; A218-T267 HydrophobicContact CB-CG2 4.48Å; Y221-T267 WeakPolarHBondContact CD2-O 3.26Å; A263-T267 PolarHBondContact O-OG1 2.94Å; L264-T267 PolarHBondContact O-N 3.39Å |
| 268 | V | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -88.5 | 127.5 | -176.4 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | L217 Y221 L236 L264 V272 W307 | L217-V268 HydrophobicContact CD1-CG2 4.43Å; Y221-V268 HydrophobicContact CE2-CB 4.19Å; Y221-V268 HydrophobicContact CE2-CG1 4.15Å; Y221-V268 HydrophobicContact CE2-CG2 3.82Å; L236-V268 HydrophobicContact CD2-CG2 3.8Å; L264-V268 HydrophobicContact CB-CG2 4.1Å; L264-V268 HydrophobicContact CD2-CG2 3.64Å; L264-V268 HydrophobicContact CG-CG2 4.46Å; L264-V268 WeakPolarHBondContact O-CB 3.29Å; L264-V268 PolarHBondContact O-N 3.27Å; V268-V272 HydrophobicContact CG1-CB 4.14Å; V268-V272 HydrophobicContact CG1-CG2 4.07Å; V268-W307 HydrophobicContact CB-CH2 4.12Å; V268-W307 HydrophobicContact CB-CZ2 3.75Å; V268-W307 HydrophobicContact CG1-CD2 4.23Å; V268-W307 HydrophobicContact CG1-CZ2 3.83Å; V268-W307 WeakPolarHBondContact O-CZ2 3.26Å |
| 269 | P | 98.2 | Very high | 97.8 | Very high | 43 Ų | 43 | 25.5 Ų | 25.5 | 28% | 0.279 | 14% | 0.136 | S | C | . | . | trans | -67.5 | 143.5 | 172 | -23.5 | 36 | 0 | 0 | 0 | 112.3 | Y221 L231 A271 V272 W307 | Y221-P269 HydrophobicContact CD1-CG 3.75Å; Y221-P269 VanDerWaalsContact CE1-CD 3.47Å; Y221-P269 HydrophobicContact CE1-CG 4.21Å; Y221-P269 HydrophobicContact CG-CG 4.15Å; L231-P269 HydrophobicContact CD1-CB 3.8Å; L231-P269 HydrophobicContact CD1-CG 3.82Å; P269-A271 PolarHBondContact O-N 3.38Å; P269-A271 VanDerWaalsContact O-N 3.13Å; P269-V272 WeakPolarHBondContact O-CG2 3.34Å; P269-V272 PolarHBondContact O-N 3.04Å; P269-V272 VanDerWaalsContact O-N 3.16Å; P269-W307 PolarHBondContact O-NE1 3.44Å | ||
| 270 | V | 97.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 26.2 Ų | 26.2 | 69% | 0.685 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.6 | 179.5 | -55 | 0 | 0 | 0 | 0 | 114 | V272 P306 W307 | V270-V272 VanDerWaalsContact C-N 3.27Å; V270-V272 PolarHBondContact O-N 2.87Å; V270-P306 HydrophobicContact CB-CB 4.43Å; V270-P306 HydrophobicContact CB-CG 4.1Å; V270-P306 HydrophobicContact CG1-CG 3.81Å; V270-W307 HydrophobicContact CG1-CZ2 4.41Å |
| 271 | A | 98.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 26.2 Ų | 26.2 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -22.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L231 E232 P269 P273 | L231-A271 HydrophobicContact CB-CB 4.04Å; L231-A271 HydrophobicContact CD1-CB 4.47Å; E232-A271 WeakPolarHBondContact CA-O 3.29Å; E232-A271 HydrophobicContact CG-CB 4.28Å; P269-A271 PolarHBondContact O-N 3.38Å; P269-A271 VanDerWaalsContact O-N 3.13Å; A271-P273 WeakPolarHBondContact O-CD 3.47Å |
| 272 | V | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -64.1 | 132.7 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | Y221 L231 V268 P269 V270 | Y221-V272 HydrophobicContact CE1-CG2 3.66Å; L231-V272 HydrophobicContact CB-CG2 4.34Å; V268-V272 HydrophobicContact CG1-CB 4.14Å; V268-V272 HydrophobicContact CG1-CG2 4.07Å; P269-V272 WeakPolarHBondContact O-CG2 3.34Å; P269-V272 PolarHBondContact O-N 3.04Å; P269-V272 VanDerWaalsContact O-N 3.16Å; V270-V272 VanDerWaalsContact C-N 3.27Å; V270-V272 PolarHBondContact O-N 2.87Å |
| 273 | P | 98.5 | Very high | 97.2 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 17% | 0.169 | 14% | 0.14 | C | C | . | . | trans | -70.2 | -35.3 | -179.8 | -25 | 35.4 | 0 | 0 | 0 | 114.3 | A20 V24 L231 E232 T234 L235 A271 A308 | A20-P273 HydrophobicContact CB-CB 4.3Å; A20-P273 HydrophobicContact CB-CG 3.85Å; V24-P273 HydrophobicContact CG2-CB 4.35Å; L231-P273 WeakPolarHBondContact O-CD 3.32Å; E232-P273 WeakPolarHBondContact O-CG 3.49Å; T234-P273 VanDerWaalsContact O-CD 3.27Å; T234-P273 WeakPolarHBondContact O-CD 3.08Å; L235-P273 HydrophobicContact CD2-CB 4.29Å; A271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-A308 PolarHBondContact O-N 3.39Å; P273-A308 VanDerWaalsContact O-N 3.15Å | ||
| 274 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 165.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L236 A308 | L236-G274 PolarHBondContact N-O 2.87Å; G274-A308 CarbonylContact C-O 3.55Å; G274-A308 WeakPolarHBondContact CA-O 3.48Å |
| 275 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.2 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | L236 P238 L264 F277 W307 A308 L309 T310 | L236-V275 HydrophobicContact CB-CG1 4.49Å; L236-V275 HydrophobicContact CB-CG2 4.44Å; L236-V275 HydrophobicContact CD2-CG1 4.31Å; L236-V275 HydrophobicContact CD2-CG2 4.36Å; L236-V275 HydrophobicContact CG-CG1 4.46Å; L236-V275 CarbonylContact O-C 3.6Å; L236-V275 WeakPolarHBondContact O-CA 3.32Å; P238-V275 HydrophobicContact CG-CG1 3.43Å; P238-V275 VanDerWaalsContact CG-CG1 3.43Å; L264-V275 HydrophobicContact CD1-CG1 4.4Å; L264-V275 HydrophobicContact CD1-CG2 4.17Å; L264-V275 HydrophobicContact CD2-CG1 4.34Å; L264-V275 HydrophobicContact CD2-CG2 4.3Å; V275-F277 HydrophobicContact CB-CE2 4.48Å; V275-F277 HydrophobicContact CB-CZ 4.42Å; V275-F277 HydrophobicContact CG1-CD1 4.16Å; V275-F277 HydrophobicContact CG1-CD2 4.45Å; V275-F277 HydrophobicContact CG1-CE1 3.78Å; V275-F277 HydrophobicContact CG1-CE2 4.08Å; V275-F277 HydrophobicContact CG1-CG 4.49Å; V275-F277 HydrophobicContact CG1-CZ 3.75Å; V275-W307 HydrophobicContact CG2-CB 4.25Å; V275-W307 HydrophobicContact CG2-CG 4.38Å; V275-A308 PolarHBondContact N-O 3Å; V275-L309 HydrophobicContact CB-CD2 3.74Å; V275-L309 HydrophobicContact CG2-CD2 3.87Å; V275-T310 PolarHBondContact O-N 2.94Å |
| 276 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 81.3 | -174.6 | -71.4 | 0 | 0 | 0 | 0 | 109.7 | V24 I30 I193 L235 L236 K237 L278 T310 | V24-V276 HydrophobicContact CG1-CG1 3.94Å; I30-V276 HydrophobicContact CD1-CB 4.32Å; I30-V276 HydrophobicContact CD1-CG1 3.99Å; I30-V276 HydrophobicContact CD1-CG2 4.39Å; I193-V276 HydrophobicContact CD1-CG2 4.47Å; I193-V276 HydrophobicContact CG2-CG2 4.01Å; L235-V276 HydrophobicContact CB-CG2 4.36Å; L235-V276 HydrophobicContact CD1-CG1 4.46Å; L236-V276 VanDerWaalsContact O-CG2 3.32Å; L236-V276 WeakPolarHBondContact O-CG2 3.45Å; L236-V276 PolarHBondContact O-N 3.42Å; K237-V276 WeakPolarHBondContact CA-O 3.44Å; K237-V276 HydrophobicContact CB-CG2 3.95Å; K237-V276 VanDerWaalsContact CG-O 3.29Å; K237-V276 WeakPolarHBondContact CG-O 3.19Å; V276-L278 PolarHBondContact O-N 3.11Å; V276-T310 CarbonylContact C-O 3.59Å; V276-T310 WeakPolarHBondContact CA-O 3.44Å; V276-T310 HydrophobicContact CB-CG2 4.36Å; V276-T310 HydrophobicContact CG1-CG2 3.49Å; V276-T310 VanDerWaalsContact CG1-CG2 3.49Å |
| 277 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 137 | -169.4 | -64.5 | -78 | 0 | 0 | 0 | 113.7 | P238 M240 T260 L264 V275 L291 I294 L309 T310 S312 F313 | P238-F277 HydrophobicContact CG-CD1 3.84Å; P238-F277 HydrophobicContact CG-CE1 3.85Å; M240-F277 HydrophobicContact CE-CB 3.69Å; M240-F277 HydrophobicContact CE-CG 4.17Å; M240-F277 HydrophobicContact CG-CB 4.11Å; M240-F277 HydrophobicContact CG-CD1 3.91Å; M240-F277 HydrophobicContact CG-CG 4.05Å; T260-F277 HydrophobicContact CG2-CD1 4.48Å; T260-F277 HydrophobicContact CG2-CE1 3.44Å; T260-F277 VanDerWaalsContact CG2-CE1 3.44Å; T260-F277 HydrophobicContact CG2-CZ 3.66Å; L264-F277 HydrophobicContact CD1-CE1 4.38Å; L264-F277 HydrophobicContact CD1-CZ 3.84Å; V275-F277 HydrophobicContact CB-CE2 4.48Å; V275-F277 HydrophobicContact CB-CZ 4.42Å; V275-F277 HydrophobicContact CG1-CD1 4.16Å; V275-F277 HydrophobicContact CG1-CD2 4.45Å; V275-F277 HydrophobicContact CG1-CE1 3.78Å; V275-F277 HydrophobicContact CG1-CE2 4.08Å; V275-F277 HydrophobicContact CG1-CG 4.49Å; V275-F277 HydrophobicContact CG1-CZ 3.75Å; F277-L291 HydrophobicContact CD2-CD1 3.82Å; F277-L291 HydrophobicContact CE2-CD1 4.34Å; F277-I294 HydrophobicContact CD2-CD1 4.31Å; F277-I294 HydrophobicContact CE1-CD1 4.3Å; F277-I294 HydrophobicContact CE2-CD1 3.98Å; F277-I294 HydrophobicContact CE2-CG2 3.94Å; F277-I294 HydrophobicContact CZ-CD1 3.96Å; F277-I294 HydrophobicContact CZ-CG2 4.1Å; F277-L309 HydrophobicContact CE2-CB 4.21Å; F277-L309 HydrophobicContact CE2-CD2 4.26Å; F277-L309 HydrophobicContact CZ-CD2 4.39Å; F277-T310 VanDerWaalsContact CD2-O 3.25Å; F277-T310 WeakPolarHBondContact CD2-O 3.31Å; F277-T310 PolarHBondContact N-O 3.32Å; F277-S312 CarbonylContact O-C 3.57Å; F277-S312 PolarHBondContact O-N 2.95Å; F277-F313 HydrophobicContact CB-CE1 4.49Å; F277-F313 VanDerWaalsContact O-CD1 3.24Å; F277-F313 WeakPolarHBondContact O-CD1 3.22Å; F277-F313 WeakPolarHBondContact O-CE1 3.25Å |
| 278 | L | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 152 | 163.5 | 64.7 | 100.4 | 0 | 0 | 0 | 110.1 | E195 E197 K237 P238 N239 V276 | E195-L278 HydrophobicContact CG-CD2 3.9Å; E197-L278 HydrophobicContact CB-CD2 3.85Å; E197-L278 HydrophobicContact CG-CD1 3.83Å; E197-L278 HydrophobicContact CG-CD2 3.84Å; E197-L278 WeakPolarHBondContact OE1-CD1 3.4Å; K237-L278 HydrophobicContact CG-CB 4.17Å; K237-L278 HydrophobicContact CG-CD2 4.12Å; P238-L278 WeakPolarHBondContact O-CG 3.48Å; P238-L278 PolarHBondContact O-N 2.65Å; P238-L278 VanDerWaalsContact O-N 3.12Å; N239-L278 HydrophobicContact CB-CD1 4.35Å; V276-L278 PolarHBondContact O-N 3.11Å |
| 279 | S | 96.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | trans | -78.3 | -20.6 | -176.6 | 69.5 | 0 | 0 | 0 | 0 | 114 | G281 Q282 A316 | S279-G281 VanDerWaalsContact C-N 3.33Å; S279-G281 PolarHBondContact O-N 3.04Å; S279-Q282 VanDerWaalsContact O-CB 3.26Å; S279-Q282 WeakPolarHBondContact O-CB 3.14Å; S279-Q282 WeakPolarHBondContact O-CG 3.49Å; S279-Q282 PolarHBondContact O-N 2.88Å; S279-Q282 PolarHBondContact O-NE2 3.48Å; S279-A316 WeakPolarHBondContact OG-CB 3.48Å | ||
| 280 | G | 93.5 | Very high | 97.5 | Very high | 15 Ų | 15 | 17.9 Ų | 17.9 | 16% | 0.155 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 34.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P200 Q282 | P200-G280 WeakPolarHBondContact CG-O 3.48Å; G280-Q282 PolarHBondContact O-N 2.94Å |
| 281 | G | 90.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -2.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S279 L367 F368 | S279-G281 VanDerWaalsContact C-N 3.33Å; S279-G281 PolarHBondContact O-N 3.04Å; G281-L367 CarbonylContact O-C 3.2Å; G281-L367 PolarHBondContact O-N 2.86Å; G281-F368 WeakPolarHBondContact O-CA 3.41Å; G281-F368 PolarHBondContact O-N 3.13Å |
| 282 | Q | 96.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 12 Ų | 12 | 7% | 0.065 | 7% | 0.069 | C | C | . | . | trans | -56.6 | 151.5 | 168.8 | -63.9 | 171.8 | 78.1 | 0 | 0 | 110.9 | S279 G280 E286 A287 N290 | S279-Q282 VanDerWaalsContact O-CB 3.26Å; S279-Q282 WeakPolarHBondContact O-CB 3.14Å; S279-Q282 WeakPolarHBondContact O-CG 3.49Å; S279-Q282 PolarHBondContact O-N 2.88Å; S279-Q282 PolarHBondContact O-NE2 3.48Å; G280-Q282 PolarHBondContact O-N 2.94Å; Q282-E286 HydrophobicContact CB-CB 4.03Å; Q282-A287 HydrophobicContact CB-CB 4.17Å; Q282-N290 PolarHBondContact OE1-ND2 3.49Å | ||
| 283 | S | 96.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | trans | -57.6 | 164.1 | 167.5 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | E285 E286 A287 A363 K365 | S283-E285 PolarHBondContact O-N 2.83Å; S283-E286 WeakPolarHBondContact CB-OE2 3.47Å; S283-E286 PolarHBondContact N-OE2 3.38Å; S283-E286 PolarHBondContact O-N 3.41Å; S283-E286 VanDerWaalsContact OG-CB 3.25Å; S283-E286 WeakPolarHBondContact OG-CB 3.44Å; S283-E286 VanDerWaalsContact OG-CD 3.3Å; S283-E286 WeakPolarHBondContact OG-CG 3.37Å; S283-E286 PolarHBondContact OG-N 3.03Å; S283-E286 VanDerWaalsContact OG-N 3.08Å; S283-E286 PolarHBondContact OG-OE2 3.11Å; S283-A287 WeakPolarHBondContact O-CB 3.43Å; S283-A287 PolarHBondContact O-N 2.92Å; S283-A287 VanDerWaalsContact O-N 3.07Å; S283-A363 WeakPolarHBondContact CB-O 3.14Å; S283-K365 WeakPolarHBondContact CA-O 3.32Å; S283-K365 WeakPolarHBondContact CB-O 3.13Å | ||
| 284 | E | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 11 Ų | 11 | 1% | 0.014 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.3 | -39 | 177.3 | -57 | -172.5 | 135.8 | 0 | 0 | 111 | T288 A316 A319 S320 R342 A363 L367 | E284-T288 PolarHBondContact O-N 2.95Å; E284-T288 PolarHBondContact O-OG1 2.99Å; E284-A316 WeakPolarHBondContact CG-O 3.43Å; E284-A319 HydrophobicContact CG-CB 4.29Å; E284-A319 WeakPolarHBondContact OE1-CB 3.48Å; E284-A319 PolarHBondContact OE1-N 3.42Å; E284-S320 PolarHBondContact OE1-N 3.18Å; E284-S320 WeakPolarHBondContact OE2-CB 3.25Å; E284-S320 PolarHBondContact OE2-OG 3.1Å; E284-R342 PolarHBondContact O-NH1 3.05Å; E284-A363 HydrophobicContact CB-CB 4.15Å; E284-A363 PolarHBondContact N-O 3.39Å; E284-A363 VanDerWaalsContact N-O 3.1Å; E284-L367 HydrophobicContact CG-CD1 3.9Å |
| 285 | E | 97.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 12.5 Ų | 12.5 | 8% | 0.084 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -73.2 | -47.6 | 179.2 | -169.5 | 63.8 | -168.6 | 0 | 0 | 113 | S283 A287 T288 V289 R342 Y354 C359 A363 | S283-E285 PolarHBondContact O-N 2.83Å; E285-A287 VanDerWaalsContact C-N 3.28Å; E285-A287 PolarHBondContact O-N 2.8Å; E285-T288 PolarHBondContact O-N 3.47Å; E285-T288 VanDerWaalsContact O-N 3.11Å; E285-V289 HydrophobicContact CG-CG2 4.13Å; E285-V289 WeakPolarHBondContact O-CG2 3.23Å; E285-V289 PolarHBondContact O-N 3.3Å; E285-R342 IonicContact OE2-CZ 3.47Å; E285-R342 IonicContact OE2-NH1 3.44Å; E285-R342 PolarHBondContact OE2-NH1 3.34Å; E285-R342 IonicContact OE2-NH2 2.71Å; E285-R342 PolarHBondContact OE2-NH2 2.94Å; E285-Y354 WeakPolarHBondContact OE1-CE1 3.27Å; E285-Y354 VanDerWaalsContact OE1-CZ 3.3Å; E285-Y354 PolarHBondContact OE1-OH 3.25Å; E285-Y354 PolarHBondContact OE2-OH 2.94Å; E285-C359 HydrophobicContact CG-CB 4.23Å; E285-A363 HydrophobicContact CB-CB 4.4Å; E285-A363 PolarHBondContact N-O 3.27Å |
| 286 | E | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 15 Ų | 15 | 36% | 0.355 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 178.2 | -75.7 | 168 | 130.7 | 0 | 0 | 111.3 | Q282 S283 T288 V289 N290 | Q282-E286 HydrophobicContact CB-CB 4.03Å; S283-E286 WeakPolarHBondContact CB-OE2 3.47Å; S283-E286 PolarHBondContact N-OE2 3.38Å; S283-E286 PolarHBondContact O-N 3.41Å; S283-E286 VanDerWaalsContact OG-CB 3.25Å; S283-E286 WeakPolarHBondContact OG-CB 3.44Å; S283-E286 VanDerWaalsContact OG-CD 3.3Å; S283-E286 WeakPolarHBondContact OG-CG 3.37Å; S283-E286 PolarHBondContact OG-N 3.03Å; S283-E286 VanDerWaalsContact OG-N 3.08Å; S283-E286 PolarHBondContact OG-OE2 3.11Å; E286-T288 VanDerWaalsContact C-N 3.33Å; E286-T288 PolarHBondContact O-N 2.77Å; E286-V289 PolarHBondContact O-N 3.22Å; E286-N290 VanDerWaalsContact O-CB 3.23Å; E286-N290 WeakPolarHBondContact O-CB 3.47Å; E286-N290 PolarHBondContact O-N 2.82Å; E286-N290 PolarHBondContact O-ND2 3.4Å |
| 287 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q282 S283 E285 L291 F313 A316 | Q282-A287 HydrophobicContact CB-CB 4.17Å; S283-A287 WeakPolarHBondContact O-CB 3.43Å; S283-A287 PolarHBondContact O-N 2.92Å; S283-A287 VanDerWaalsContact O-N 3.07Å; E285-A287 VanDerWaalsContact C-N 3.28Å; E285-A287 PolarHBondContact O-N 2.8Å; A287-L291 VanDerWaalsContact O-CB 3.29Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 PolarHBondContact O-N 2.82Å; A287-F313 HydrophobicContact CB-CE2 3.97Å; A287-F313 HydrophobicContact CB-CZ 3.93Å; A287-A316 HydrophobicContact CB-CB 3.87Å |
| 288 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.4 | -47.5 | 177 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | E284 E285 E286 L291 N292 R342 A345 N346 A349 Y354 | E284-T288 PolarHBondContact O-N 2.95Å; E284-T288 PolarHBondContact O-OG1 2.99Å; E285-T288 PolarHBondContact O-N 3.47Å; E285-T288 VanDerWaalsContact O-N 3.11Å; E286-T288 VanDerWaalsContact C-N 3.33Å; E286-T288 PolarHBondContact O-N 2.77Å; T288-L291 PolarHBondContact O-N 3.25Å; T288-N292 WeakPolarHBondContact O-CB 3.37Å; T288-N292 PolarHBondContact O-N 2.68Å; T288-R342 PolarHBondContact OG1-NH1 3.14Å; T288-A345 HydrophobicContact CG2-CB 3.98Å; T288-A345 WeakPolarHBondContact CG2-O 3.25Å; T288-N346 PolarHBondContact OG1-OD1 2.8Å; T288-A349 HydrophobicContact CG2-CB 3.8Å; T288-A349 WeakPolarHBondContact O-CB 3.44Å; T288-Y354 HydrophobicContact CG2-CD1 3.5Å; T288-Y354 VanDerWaalsContact CG2-CD1 3.5Å; T288-Y354 HydrophobicContact CG2-CD2 4.13Å; T288-Y354 HydrophobicContact CG2-CE1 3.56Å; T288-Y354 HydrophobicContact CG2-CE2 4.21Å; T288-Y354 HydrophobicContact CG2-CG 3.77Å |
| 289 | V | 98.4 | Very high | 96 | Very high | 44 Ų | 44 | 23.5 Ų | 23.5 | 27% | 0.267 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.1 | -42.1 | -178.5 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | P253 E285 E286 N292 A293 Y354 | P253-V289 HydrophobicContact CB-CG1 3.65Å; P253-V289 HydrophobicContact CG-CG1 3.46Å; P253-V289 VanDerWaalsContact CG-CG1 3.46Å; E285-V289 HydrophobicContact CG-CG2 4.13Å; E285-V289 WeakPolarHBondContact O-CG2 3.23Å; E285-V289 PolarHBondContact O-N 3.3Å; E286-V289 PolarHBondContact O-N 3.22Å; V289-N292 WeakPolarHBondContact O-CB 3.43Å; V289-N292 PolarHBondContact O-N 2.94Å; V289-A293 PolarHBondContact O-N 2.57Å; V289-Y354 HydrophobicContact CG2-CD1 4.32Å; V289-Y354 HydrophobicContact CG2-CE1 3.9Å |
| 290 | N | 98.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 177.7 | -69.8 | -23.7 | 0 | 0 | 0 | 111.9 | M240 P253 I256 Q282 E286 N292 A293 I294 | M240-N290 HydrophobicContact SD-CB 3.7Å; P253-N290 VanDerWaalsContact CA-OD1 3.26Å; P253-N290 WeakPolarHBondContact CA-OD1 3.35Å; P253-N290 WeakPolarHBondContact CB-OD1 3.41Å; I256-N290 WeakPolarHBondContact CD1-ND2 3.49Å; I256-N290 HydrophobicContact CG2-CB 3.99Å; Q282-N290 PolarHBondContact OE1-ND2 3.49Å; E286-N290 VanDerWaalsContact O-CB 3.23Å; E286-N290 WeakPolarHBondContact O-CB 3.47Å; E286-N290 PolarHBondContact O-N 2.82Å; E286-N290 PolarHBondContact O-ND2 3.4Å; N290-N292 VanDerWaalsContact C-N 3.3Å; N290-N292 PolarHBondContact O-N 2.83Å; N290-A293 PolarHBondContact O-N 2.95Å; N290-I294 VanDerWaalsContact O-CG1 3.29Å; N290-I294 WeakPolarHBondContact O-CG1 3.44Å; N290-I294 PolarHBondContact O-N 3.09Å |
| 291 | L | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 171.3 | -179.2 | 62.6 | 0 | 0 | 0 | 112.3 | M240 F277 A287 T288 I294 N295 F311 F313 A349 | M240-L291 HydrophobicContact CE-CB 3.85Å; M240-L291 HydrophobicContact CE-CD1 4.36Å; F277-L291 HydrophobicContact CD2-CD1 3.82Å; F277-L291 HydrophobicContact CE2-CD1 4.34Å; A287-L291 VanDerWaalsContact O-CB 3.29Å; A287-L291 WeakPolarHBondContact O-CB 3.39Å; A287-L291 PolarHBondContact O-N 2.82Å; T288-L291 PolarHBondContact O-N 3.25Å; L291-I294 PolarHBondContact O-N 3.25Å; L291-N295 PolarHBondContact O-N 3.27Å; L291-N295 PolarHBondContact O-ND2 2.97Å; L291-N295 VanDerWaalsContact O-ND2 3.12Å; L291-F311 HydrophobicContact CD2-CB 3.93Å; L291-F311 HydrophobicContact CD2-CD1 3.93Å; L291-F311 HydrophobicContact CD2-CG 4.39Å; L291-F313 HydrophobicContact CD2-CE2 4.47Å; L291-F313 HydrophobicContact CD2-CZ 4.34Å; L291-A349 HydrophobicContact CB-CB 4.15Å; L291-A349 HydrophobicContact CD2-CB 4.03Å; L291-A349 HydrophobicContact CG-CB 4.08Å |
| 292 | N | 98.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 176.2 | -172.4 | 77 | 0 | 0 | 0 | 110.7 | T288 V289 N290 I294 N295 T296 A349 G352 K353 Y354 | T288-N292 WeakPolarHBondContact O-CB 3.37Å; T288-N292 PolarHBondContact O-N 2.68Å; V289-N292 WeakPolarHBondContact O-CB 3.43Å; V289-N292 PolarHBondContact O-N 2.94Å; N290-N292 VanDerWaalsContact C-N 3.3Å; N290-N292 PolarHBondContact O-N 2.83Å; N292-I294 VanDerWaalsContact C-N 3.33Å; N292-I294 PolarHBondContact O-N 3.35Å; N292-N295 PolarHBondContact O-N 2.82Å; N292-N295 VanDerWaalsContact O-N 3.11Å; N292-T296 WeakPolarHBondContact O-CG2 3.45Å; N292-T296 PolarHBondContact O-N 2.65Å; N292-T296 PolarHBondContact O-OG1 3.11Å; N292-T296 VanDerWaalsContact O-OG1 3.13Å; N292-A349 WeakPolarHBondContact CA-O 3.3Å; N292-A349 HydrophobicContact CB-CB 3.85Å; N292-G352 WeakPolarHBondContact OD1-CA 3.3Å; N292-K353 PolarHBondContact OD1-N 3.31Å; N292-Y354 PolarHBondContact ND2-O 3.24Å; N292-Y354 WeakPolarHBondContact OD1-CB 3.41Å; N292-Y354 PolarHBondContact OD1-N 3.49Å |
| 293 | A | 97.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | P253 V289 N290 N295 T296 Y297 | P253-A293 VanDerWaalsContact C-CB 3.47Å; P253-A293 HydrophobicContact CB-CB 3.92Å; P253-A293 WeakPolarHBondContact O-CB 3.38Å; V289-A293 PolarHBondContact O-N 2.57Å; N290-A293 PolarHBondContact O-N 2.95Å; A293-N295 VanDerWaalsContact C-N 3.31Å; A293-N295 PolarHBondContact O-N 2.94Å; A293-T296 WeakPolarHBondContact CA-OG1 3.49Å; A293-T296 PolarHBondContact O-N 3.3Å; A293-T296 PolarHBondContact O-OG1 2.75Å; A293-Y297 VanDerWaalsContact O-CB 3.3Å; A293-Y297 WeakPolarHBondContact O-CB 3.33Å; A293-Y297 PolarHBondContact O-N 3.49Å |
| 294 | I | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 172.1 | -71.6 | 164.5 | 0 | 0 | 0 | 110.9 | M240 T260 V261 F277 N290 L291 N292 L309 | M240-I294 HydrophobicContact CB-CD1 4.38Å; M240-I294 HydrophobicContact CE-CD1 4.41Å; M240-I294 HydrophobicContact CG-CD1 3.77Å; M240-I294 HydrophobicContact SD-CD1 4.01Å; T260-I294 HydrophobicContact CG2-CD1 3.81Å; T260-I294 HydrophobicContact CG2-CG1 4.16Å; V261-I294 HydrophobicContact CG2-CG2 4.05Å; F277-I294 HydrophobicContact CD2-CD1 4.31Å; F277-I294 HydrophobicContact CE1-CD1 4.3Å; F277-I294 HydrophobicContact CE2-CD1 3.98Å; F277-I294 HydrophobicContact CE2-CG2 3.94Å; F277-I294 HydrophobicContact CZ-CD1 3.96Å; F277-I294 HydrophobicContact CZ-CG2 4.1Å; N290-I294 VanDerWaalsContact O-CG1 3.29Å; N290-I294 WeakPolarHBondContact O-CG1 3.44Å; N290-I294 PolarHBondContact O-N 3.09Å; L291-I294 PolarHBondContact O-N 3.25Å; N292-I294 VanDerWaalsContact C-N 3.33Å; N292-I294 PolarHBondContact O-N 3.35Å; I294-L309 HydrophobicContact CG2-CB 4.3Å; I294-L309 HydrophobicContact CG2-CD1 3.65Å |
| 295 | N | 97.2 | Very high | 90.4 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74 | -36.4 | -178.3 | -83.1 | -68.8 | 0 | 0 | 0 | 112.9 | L291 N292 A293 K305 L309 A349 C350 | L291-N295 PolarHBondContact O-N 3.27Å; L291-N295 PolarHBondContact O-ND2 2.97Å; L291-N295 VanDerWaalsContact O-ND2 3.12Å; N292-N295 PolarHBondContact O-N 2.82Å; N292-N295 VanDerWaalsContact O-N 3.11Å; A293-N295 VanDerWaalsContact C-N 3.31Å; A293-N295 PolarHBondContact O-N 2.94Å; N295-K305 PolarHBondContact O-NZ 3.26Å; N295-L309 PolarHBondContact ND2-O 2.91Å; N295-L309 PolarHBondContact OD1-O 2.86Å; N295-A349 PolarHBondContact ND2-O 2.83Å; N295-C350 VanDerWaalsContact CG-O 3.27Å; N295-C350 PolarHBondContact OD1-O 2.7Å |
| 296 | T | 96 | Very high | 90.2 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -82.2 | -16.3 | 178.9 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | N292 A293 E298 G352 | N292-T296 WeakPolarHBondContact O-CG2 3.45Å; N292-T296 PolarHBondContact O-N 2.65Å; N292-T296 PolarHBondContact O-OG1 3.11Å; N292-T296 VanDerWaalsContact O-OG1 3.13Å; A293-T296 WeakPolarHBondContact CA-OG1 3.49Å; A293-T296 PolarHBondContact O-N 3.3Å; A293-T296 PolarHBondContact O-OG1 2.75Å; T296-E298 PolarHBondContact O-N 3.25Å; T296-E298 VanDerWaalsContact O-N 3.13Å; T296-G352 WeakPolarHBondContact CG2-O 3.3Å |
| 297 | Y | 95.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | trans | -63.8 | 115.4 | 176.8 | 178 | -109.6 | 0 | 0 | 0 | 111.4 | M254 R258 V261 A293 G299 K305 | M254-Y297 HydrophobicContact SD-CD2 3.83Å; M254-Y297 HydrophobicContact SD-CG 4.45Å; R258-Y297 HydrophobicContact CB-CD2 4Å; R258-Y297 HydrophobicContact CB-CE1 4.32Å; R258-Y297 HydrophobicContact CB-CE2 3.67Å; R258-Y297 HydrophobicContact CB-CG 4.47Å; R258-Y297 HydrophobicContact CG-CE1 4.29Å; R258-Y297 HydrophobicContact CG-CE2 3.82Å; V261-Y297 HydrophobicContact CB-CD1 3.68Å; V261-Y297 HydrophobicContact CB-CE1 4.07Å; V261-Y297 HydrophobicContact CG1-CD1 3.8Å; V261-Y297 HydrophobicContact CG1-CE1 4.01Å; V261-Y297 HydrophobicContact CG2-CD1 3.95Å; A293-Y297 VanDerWaalsContact O-CB 3.3Å; A293-Y297 WeakPolarHBondContact O-CB 3.33Å; A293-Y297 PolarHBondContact O-N 3.49Å; Y297-G299 VanDerWaalsContact CE1-CA 3.47Å; Y297-G299 VanDerWaalsContact CZ-CA 3.46Å; Y297-K305 PolarHBondContact O-NZ 3.06Å | ||
| 298 | E | 90.9 | Very high | 90.2 | Very high | 142 Ų | 142 | 50.2 Ų | 50.2 | 66% | 0.664 | 29% | 0.292 | S | S | * | . | trans | -86 | -10.5 | -175 | -62.2 | -169.9 | 150.7 | 0 | 0 | 114.1 | T296 G302 | T296-E298 PolarHBondContact O-N 3.25Å; T296-E298 VanDerWaalsContact O-N 3.13Å; E298-G302 CarbonylContact O-C 3.6Å; E298-G302 VanDerWaalsContact O-CA 3.29Å; E298-G302 WeakPolarHBondContact O-CA 3.49Å; E298-G302 PolarHBondContact O-N 3.38Å | ||
| 299 | G | 81 | Confident | 90.2 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | trans | 72 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y297 G301 | Y297-G299 VanDerWaalsContact CE1-CA 3.47Å; Y297-G299 VanDerWaalsContact CZ-CA 3.46Å; G299-G301 PolarHBondContact O-N 3.23Å | ||
| 300 | F | 71.3 | Confident | 90.2 | Very high | 183 Ų | 183 | 48.6 Ų | 48.6 | 80% | 0.803 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 99.2 | 170.7 | -62.3 | -77.7 | 0 | 0 | 0 | 109.2 | ||
| 301 | G | 68.9 | Low | 90.2 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 84% | 0.835 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | 25.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G299 | G299-G301 PolarHBondContact O-N 3.23Š|
| 302 | G | 70.7 | Confident | 90.2 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 102.6 | 165.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E298 K304 | E298-G302 CarbonylContact O-C 3.6Å; E298-G302 VanDerWaalsContact O-CA 3.29Å; E298-G302 WeakPolarHBondContact O-CA 3.49Å; E298-G302 PolarHBondContact O-N 3.38Å; G302-K304 PolarHBondContact O-N 2.93Å |
| 303 | P | 66.9 | Low | 90.2 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 60% | 0.597 | 27% | 0.274 | S | S | * | . | trans | -72.1 | 86.8 | -166.5 | 29.4 | -35.9 | 0 | 0 | 0 | 111.5 | K305 | P303-K305 PolarHBondContact O-N 3.22Š| ||
| 304 | K | 84.8 | Confident | 90.1 | Very high | 145 Ų | 145 | 47.4 Ų | 47.4 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | trans | -78.9 | 65.9 | 168.9 | -66.3 | -179.4 | -177.1 | 176.6 | 0 | 110.2 | Q265 G302 | Q265-K304 PolarHBondContact NE2-O 3.22Å; G302-K304 PolarHBondContact O-N 2.93Å | ||
| 305 | K | 92.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | trans | -126.6 | 77.3 | -179.8 | -53.5 | -167.2 | -55.1 | -87.9 | 0 | 108.5 | V261 N295 Y297 P303 W307 L309 | V261-K305 HydrophobicContact CG1-CD 3.95Å; V261-K305 HydrophobicContact CG1-CG 4.07Å; V261-K305 HydrophobicContact CG2-CD 3.79Å; N295-K305 PolarHBondContact O-NZ 3.26Å; Y297-K305 PolarHBondContact O-NZ 3.06Å; P303-K305 PolarHBondContact O-N 3.22Å; K305-W307 PolarHBondContact O-N 2.98Å; K305-L309 HydrophobicContact CB-CD1 4.25Å; K305-L309 HydrophobicContact CD-CD1 3.67Å; K305-L309 HydrophobicContact CG-CD1 4.38Å | ||
| 306 | P | 94.1 | Very high | 89.9 | Confident | 78 Ų | 78 | 48 Ų | 48 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | trans | -70.1 | -13.7 | -176.5 | 29 | -34.6 | 0 | 0 | 0 | 113.1 | V270 | V270-P306 HydrophobicContact CB-CB 4.43Å; V270-P306 HydrophobicContact CB-CG 4.1Å; V270-P306 HydrophobicContact CG1-CG 3.81Å | ||
| 307 | W | 97.4 | Very high | 90 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 6% | 0.064 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -87.1 | 146.2 | 178 | -48.2 | -74.3 | 0 | 0 | 0 | 111.5 | L264 Q265 V268 P269 V270 V275 K305 L309 | L264-W307 HydrophobicContact CB-CE3 4.44Å; L264-W307 HydrophobicContact CB-CZ3 4.06Å; Q265-W307 HydrophobicContact CG-CZ3 4.42Å; V268-W307 HydrophobicContact CB-CH2 4.12Å; V268-W307 HydrophobicContact CB-CZ2 3.75Å; V268-W307 HydrophobicContact CG1-CD2 4.23Å; V268-W307 HydrophobicContact CG1-CZ2 3.83Å; V268-W307 WeakPolarHBondContact O-CZ2 3.26Å; P269-W307 PolarHBondContact O-NE1 3.44Å; V270-W307 HydrophobicContact CG1-CZ2 4.41Å; V275-W307 HydrophobicContact CG2-CB 4.25Å; V275-W307 HydrophobicContact CG2-CG 4.38Å; K305-W307 PolarHBondContact O-N 2.98Å; W307-L309 HydrophobicContact CB-CD2 4.07Å; W307-L309 PolarHBondContact O-N 3.39Å |
| 308 | A | 97.9 | Very high | 90 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V24 P273 G274 V275 | V24-A308 HydrophobicContact CB-CB 3.64Å; V24-A308 HydrophobicContact CG2-CB 3.68Å; P273-A308 PolarHBondContact O-N 3.39Å; P273-A308 VanDerWaalsContact O-N 3.15Å; G274-A308 CarbonylContact C-O 3.55Å; G274-A308 WeakPolarHBondContact CA-O 3.48Å; V275-A308 PolarHBondContact N-O 3Å |
| 309 | L | 98.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 102.5 | -177.8 | -60.6 | -178.9 | 0 | 0 | 0 | 109.8 | L264 V275 F277 I294 N295 K305 W307 | L264-L309 HydrophobicContact CD1-CD2 3.87Å; V275-L309 HydrophobicContact CB-CD2 3.74Å; V275-L309 HydrophobicContact CG2-CD2 3.87Å; F277-L309 HydrophobicContact CE2-CB 4.21Å; F277-L309 HydrophobicContact CE2-CD2 4.26Å; F277-L309 HydrophobicContact CZ-CD2 4.39Å; I294-L309 HydrophobicContact CG2-CB 4.3Å; I294-L309 HydrophobicContact CG2-CD1 3.65Å; N295-L309 PolarHBondContact ND2-O 2.91Å; N295-L309 PolarHBondContact OD1-O 2.86Å; K305-L309 HydrophobicContact CB-CD1 4.25Å; K305-L309 HydrophobicContact CD-CD1 3.67Å; K305-L309 HydrophobicContact CG-CD1 4.38Å; W307-L309 HydrophobicContact CB-CD2 4.07Å; W307-L309 PolarHBondContact O-N 3.39Å |
| 310 | T | 98.7 | Very high | 91 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | -170.7 | -171.7 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | V24 K28 G29 V275 V276 F277 C350 | V24-T310 HydrophobicContact CG1-CG2 4.24Å; K28-T310 WeakPolarHBondContact O-CB 3.12Å; K28-T310 PolarHBondContact O-OG1 3.34Å; G29-T310 WeakPolarHBondContact CA-OG1 3.38Å; V275-T310 PolarHBondContact O-N 2.94Å; V276-T310 CarbonylContact C-O 3.59Å; V276-T310 WeakPolarHBondContact CA-O 3.44Å; V276-T310 HydrophobicContact CB-CG2 4.36Å; V276-T310 HydrophobicContact CG1-CG2 3.49Å; V276-T310 VanDerWaalsContact CG1-CG2 3.49Å; F277-T310 VanDerWaalsContact CD2-O 3.25Å; F277-T310 WeakPolarHBondContact CD2-O 3.31Å; F277-T310 PolarHBondContact N-O 3.32Å; T310-C350 PolarHBondContact OG1-SG 3.43Å |
| 311 | F | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 152.8 | -177.2 | 61.4 | -85.1 | 0 | 0 | 0 | 113.5 | G29 I30 I75 L291 F313 L317 N346 C350 | G29-F311 CarbonylContact C-O 3.53Å; G29-F311 VanDerWaalsContact CA-CZ 3.5Å; G29-F311 WeakPolarHBondContact CA-O 3.37Å; I30-F311 PolarHBondContact N-O 2.8Å; I75-F311 HydrophobicContact CD1-CE2 3.64Å; I75-F311 HydrophobicContact CD1-CZ 3.74Å; L291-F311 HydrophobicContact CD2-CB 3.93Å; L291-F311 HydrophobicContact CD2-CD1 3.93Å; L291-F311 HydrophobicContact CD2-CG 4.39Å; F311-F313 HydrophobicContact CB-CD1 3.76Å; F311-F313 HydrophobicContact CB-CD2 3.68Å; F311-F313 HydrophobicContact CB-CE1 3.64Å; F311-F313 HydrophobicContact CB-CE2 3.56Å; F311-F313 HydrophobicContact CB-CG 3.78Å; F311-F313 HydrophobicContact CB-CZ 3.53Å; F311-F313 HydrophobicContact CD2-CB 4.28Å; F311-F313 HydrophobicContact CD2-CD2 4.06Å; F311-F313 HydrophobicContact CD2-CG 4.17Å; F311-F313 HydrophobicContact CG-CD2 4.04Å; F311-F313 HydrophobicContact CG-CE2 4.17Å; F311-F313 HydrophobicContact CG-CG 4.34Å; F311-L317 HydrophobicContact CD2-CD2 4.49Å; F311-L317 HydrophobicContact CE2-CD2 3.92Å; F311-N346 HydrophobicContact CD1-CB 3.71Å; F311-N346 HydrophobicContact CD2-CB 4.49Å; F311-N346 HydrophobicContact CE1-CB 3.47Å; F311-N346 VanDerWaalsContact CE1-CB 3.47Å; F311-N346 HydrophobicContact CE2-CB 4.28Å; F311-N346 HydrophobicContact CG-CB 4.23Å; F311-N346 HydrophobicContact CZ-CB 3.77Å; F311-C350 WeakPolarHBondContact CD1-SG 3.19Å; F311-C350 VanDerWaalsContact CE1-SG 3.56Å |
| 312 | S | 98.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 82.8 | 156.7 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | I30 I79 K237 F277 | I30-S312 WeakPolarHBondContact CG2-OG 3.16Å; I30-S312 WeakPolarHBondContact O-CA 3.26Å; I79-S312 WeakPolarHBondContact CD1-OG 3.49Å; K237-S312 WeakPolarHBondContact CE-O 3.27Å; K237-S312 PolarHBondContact NZ-O 3.05Å; K237-S312 PolarHBondContact NZ-OG 3.4Å; F277-S312 CarbonylContact O-C 3.57Å; F277-S312 PolarHBondContact O-N 2.95Å |
| 313 | F | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.9 | -170.2 | -67.6 | -15.5 | 0 | 0 | 0 | 112.2 | I30 A32 M240 F277 A287 L291 F311 A316 L317 | I30-F313 PolarHBondContact O-N 3.33Å; I30-F313 VanDerWaalsContact O-N 3.08Å; A32-F313 PolarHBondContact N-O 3.45Å; M240-F313 HydrophobicContact CE-CE1 3.94Å; M240-F313 HydrophobicContact CE-CZ 3.68Å; F277-F313 HydrophobicContact CB-CE1 4.49Å; F277-F313 VanDerWaalsContact O-CD1 3.24Å; F277-F313 WeakPolarHBondContact O-CD1 3.22Å; F277-F313 WeakPolarHBondContact O-CE1 3.25Å; A287-F313 HydrophobicContact CB-CE2 3.97Å; A287-F313 HydrophobicContact CB-CZ 3.93Å; L291-F313 HydrophobicContact CD2-CE2 4.47Å; L291-F313 HydrophobicContact CD2-CZ 4.34Å; F311-F313 HydrophobicContact CB-CD1 3.76Å; F311-F313 HydrophobicContact CB-CD2 3.68Å; F311-F313 HydrophobicContact CB-CE1 3.64Å; F311-F313 HydrophobicContact CB-CE2 3.56Å; F311-F313 HydrophobicContact CB-CG 3.78Å; F311-F313 HydrophobicContact CB-CZ 3.53Å; F311-F313 HydrophobicContact CD2-CB 4.28Å; F311-F313 HydrophobicContact CD2-CD2 4.06Å; F311-F313 HydrophobicContact CD2-CG 4.17Å; F311-F313 HydrophobicContact CG-CD2 4.04Å; F311-F313 HydrophobicContact CG-CE2 4.17Å; F311-F313 HydrophobicContact CG-CG 4.34Å; F313-A316 HydrophobicContact CB-CB 4.31Å; F313-A316 HydrophobicContact CD2-CB 4.2Å; F313-A316 HydrophobicContact CG-CB 4.21Å; F313-L317 HydrophobicContact CB-CB 3.87Å |
| 314 | G | 96 | Very high | 96.2 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 12% | 0.124 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -93.1 | -98.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A32 A316 L317 Q318 | A32-G314 WeakPolarHBondContact O-CA 3.44Å; G314-A316 VanDerWaalsContact C-N 3.3Å; G314-A316 PolarHBondContact O-N 2.99Å; G314-L317 PolarHBondContact O-N 3.08Å; G314-Q318 WeakPolarHBondContact O-CB 3.34Å; G314-Q318 WeakPolarHBondContact O-CG 3.38Å; G314-Q318 PolarHBondContact O-N 3.38Å; G314-Q318 PolarHBondContact O-NE2 2.89Å |
| 315 | R | 94.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 18 Ų | 18 | 17% | 0.174 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -50 | -44 | -179.4 | -67.8 | 177.5 | -73.7 | 179.4 | -7.1 | 113.7 | L317 Q318 A319 L367 H372 | R315-L317 PolarHBondContact O-N 2.94Å; R315-Q318 PolarHBondContact O-N 2.95Å; R315-A319 WeakPolarHBondContact O-CB 3.28Å; R315-A319 PolarHBondContact O-N 3.5Å; R315-L367 HydrophobicContact CB-CD1 4.04Å; R315-L367 PolarHBondContact NH1-O 3.3Å; R315-H372 PolarHBondContact NH2-CD2 2.88Å; R315-H372 VanDerWaalsContact NH2-CD2 3.3Å |
| 316 | A | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -5.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S279 E284 A287 F313 G314 R342 L367 | S279-A316 WeakPolarHBondContact OG-CB 3.48Å; E284-A316 WeakPolarHBondContact CG-O 3.43Å; A287-A316 HydrophobicContact CB-CB 3.87Å; F313-A316 HydrophobicContact CB-CB 4.31Å; F313-A316 HydrophobicContact CD2-CB 4.2Å; F313-A316 HydrophobicContact CG-CB 4.21Å; G314-A316 VanDerWaalsContact C-N 3.3Å; G314-A316 PolarHBondContact O-N 2.99Å; A316-R342 WeakPolarHBondContact O-CG 3.36Å; A316-L367 HydrophobicContact CB-CD1 4.4Å |
| 317 | L | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -115.3 | -5.3 | 174.2 | -178.9 | 53.6 | 0 | 0 | 0 | 112.4 | L31 I75 F311 F313 G314 R315 F339 R342 A343 | L31-L317 HydrophobicContact CB-CD2 4.18Å; L31-L317 HydrophobicContact CD1-CB 4.46Å; L31-L317 HydrophobicContact CD1-CD2 3.78Å; L31-L317 HydrophobicContact CD1-CG 4.07Å; I75-L317 HydrophobicContact CD1-CD2 3.95Å; F311-L317 HydrophobicContact CD2-CD2 4.49Å; F311-L317 HydrophobicContact CE2-CD2 3.92Å; F313-L317 HydrophobicContact CB-CB 3.87Å; G314-L317 PolarHBondContact O-N 3.08Å; R315-L317 PolarHBondContact O-N 2.94Å; L317-F339 HydrophobicContact CD1-CD2 4.35Å; L317-F339 HydrophobicContact CD1-CE2 4.08Å; L317-F339 HydrophobicContact CD2-CE2 4.22Å; L317-F339 HydrophobicContact CG-CD2 4.31Å; L317-F339 HydrophobicContact CG-CE2 3.79Å; L317-F339 WeakPolarHBondContact O-CD2 3.47Å; L317-R342 HydrophobicContact CD1-CB 4.05Å; L317-R342 HydrophobicContact CD1-CG 3.9Å; L317-A343 HydrophobicContact CD1-CB 4.2Å |
| 318 | Q | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -126.9 | -20.7 | -164.6 | -80.1 | -178.9 | 65.3 | 0 | 0 | 114.1 | L31 A32 E35 Y59 L63 G314 R315 A321 L322 | L31-Q318 HydrophobicContact CD1-CG 3.81Å; A32-Q318 PolarHBondContact O-NE2 2.92Å; E35-Q318 PolarHBondContact OE1-NE2 3.04Å; Y59-Q318 WeakPolarHBondContact OH-CB 3.36Å; Y59-Q318 PolarHBondContact OH-O 3Å; Y59-Q318 PolarHBondContact OH-OE1 2.99Å; Y59-Q318 VanDerWaalsContact OH-OE1 3.12Å; L63-Q318 HydrophobicContact CD1-CG 3.96Å; G314-Q318 WeakPolarHBondContact O-CB 3.34Å; G314-Q318 WeakPolarHBondContact O-CG 3.38Å; G314-Q318 PolarHBondContact O-N 3.38Å; G314-Q318 PolarHBondContact O-NE2 2.89Å; R315-Q318 PolarHBondContact O-N 2.95Å; Q318-A321 PolarHBondContact O-N 3.44Å; Q318-L322 WeakPolarHBondContact O-CB 3.26Å; Q318-L322 PolarHBondContact O-N 3.39Å |
| 319 | A | 96 | Very high | 97 | Very high | 16 Ų | 16 | 26 Ų | 26 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -46.8 | -168 | 0 | 0 | 0 | 0 | 0 | 111.9 | E284 R315 A321 L322 N323 L367 | E284-A319 HydrophobicContact CG-CB 4.29Å; E284-A319 WeakPolarHBondContact OE1-CB 3.48Å; E284-A319 PolarHBondContact OE1-N 3.42Å; R315-A319 WeakPolarHBondContact O-CB 3.28Å; R315-A319 PolarHBondContact O-N 3.5Å; A319-A321 VanDerWaalsContact C-N 3.33Å; A319-A321 PolarHBondContact O-N 3.13Å; A319-L322 PolarHBondContact O-N 3.49Å; A319-N323 WeakPolarHBondContact O-CB 3.23Å; A319-N323 VanDerWaalsContact O-CG 3.28Å; A319-N323 PolarHBondContact O-N 2.82Å; A319-N323 PolarHBondContact O-ND2 2.72Å; A319-L367 HydrophobicContact CB-CD1 4.1Å; A319-L367 HydrophobicContact CB-CD2 3.57Å |
| 320 | S | 96.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -37.3 | 176.3 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | E284 N323 A324 | E284-S320 PolarHBondContact OE1-N 3.18Å; E284-S320 WeakPolarHBondContact OE2-CB 3.25Å; E284-S320 PolarHBondContact OE2-OG 3.1Å; S320-N323 PolarHBondContact O-N 2.88Å; S320-A324 WeakPolarHBondContact O-CB 3.33Å; S320-A324 PolarHBondContact O-N 3.24Å |
| 321 | A | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M62 L63 Q318 A319 A324 W325 G335 F339 | M62-A321 HydrophobicContact CE-CB 4.25Å; L63-A321 HydrophobicContact CD2-CB 3.82Å; Q318-A321 PolarHBondContact O-N 3.44Å; A319-A321 VanDerWaalsContact C-N 3.33Å; A319-A321 PolarHBondContact O-N 3.13Å; A321-A324 PolarHBondContact O-N 3.34Å; A321-W325 VanDerWaalsContact O-CB 3.3Å; A321-W325 WeakPolarHBondContact O-CB 3.46Å; A321-W325 PolarHBondContact O-N 3.07Å; A321-G335 WeakPolarHBondContact CB-O 3.4Å; A321-G335 WeakPolarHBondContact O-CA 3.49Å; A321-F339 HydrophobicContact CB-CB 3.81Å |
| 322 | L | 96.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.6 | -179.1 | 61.4 | 0 | 0 | 0 | 111.6 | K43 L47 Y59 Q318 A319 A324 W325 K326 | K43-L322 HydrophobicContact CB-CD2 3.99Å; K43-L322 HydrophobicContact CD-CD2 4.28Å; K43-L322 HydrophobicContact CG-CD2 4.28Å; L47-L322 HydrophobicContact CD1-CD1 3.45Å; L47-L322 VanDerWaalsContact CD1-CD1 3.45Å; L47-L322 HydrophobicContact CD1-CG 3.83Å; Y59-L322 HydrophobicContact CD2-CD1 3.85Å; Y59-L322 HydrophobicContact CE2-CB 3.91Å; Y59-L322 HydrophobicContact CE2-CD1 3.58Å; Y59-L322 HydrophobicContact CE2-CG 4.29Å; Y59-L322 HydrophobicContact CG-CD1 4.49Å; Q318-L322 WeakPolarHBondContact O-CB 3.26Å; Q318-L322 PolarHBondContact O-N 3.39Å; A319-L322 PolarHBondContact O-N 3.49Å; L322-A324 VanDerWaalsContact C-N 3.34Å; L322-A324 PolarHBondContact O-N 3.33Å; L322-W325 HydrophobicContact CD1-CE3 4.07Å; L322-W325 HydrophobicContact CD1-CZ3 4.33Å; L322-W325 PolarHBondContact O-N 3.08Å; L322-K326 PolarHBondContact O-N 2.52Å |
| 323 | N | 95.3 | Very high | 96.8 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.9 | -30.6 | 179.4 | -73.1 | -25.4 | 0 | 0 | 0 | 113.5 | A319 S320 K326 | A319-N323 WeakPolarHBondContact O-CB 3.23Å; A319-N323 VanDerWaalsContact O-CG 3.28Å; A319-N323 PolarHBondContact O-N 2.82Å; A319-N323 PolarHBondContact O-ND2 2.72Å; S320-N323 PolarHBondContact O-N 2.88Å; N323-K326 VanDerWaalsContact O-CE 3.3Å; N323-K326 WeakPolarHBondContact O-CE 3.37Å; N323-K326 WeakPolarHBondContact O-CG 3.36Å |
| 324 | A | 96.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -77.5 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S320 A321 L322 A334 E338 | S320-A324 WeakPolarHBondContact O-CB 3.33Å; S320-A324 PolarHBondContact O-N 3.24Å; A321-A324 PolarHBondContact O-N 3.34Å; L322-A324 VanDerWaalsContact C-N 3.34Å; L322-A324 PolarHBondContact O-N 3.33Å; A324-A334 HydrophobicContact CB-CB 4.29Å; A324-E338 HydrophobicContact CB-CB 4.38Å; A324-E338 HydrophobicContact CB-CG 3.77Å |
| 325 | W | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.2 | -42.5 | 178.6 | 176.2 | 55.4 | 0 | 0 | 0 | 113 | L49 K58 Y59 M62 A321 L322 G327 Q328 N331 | L49-W325 HydrophobicContact CD1-CZ3 4.25Å; K58-W325 HydrophobicContact CB-CH2 4.24Å; K58-W325 HydrophobicContact CB-CZ2 3.96Å; Y59-W325 AromaticContact CD2-CE3 3.67Å; Y59-W325 HydrophobicContact CD2-CE3 3.67Å; Y59-W325 AromaticContact CD2-CZ3 3.72Å; Y59-W325 HydrophobicContact CD2-CZ3 3.72Å; Y59-W325 HydrophobicContact CE2-CE3 4.5Å; Y59-W325 HydrophobicContact CG-CE3 4.39Å; Y59-W325 AromaticContact CG-CZ3 3.97Å; Y59-W325 HydrophobicContact CG-CZ3 3.97Å; M62-W325 HydrophobicContact CE-CB 3.91Å; M62-W325 HydrophobicContact CE-CD2 4.4Å; M62-W325 HydrophobicContact CE-CG 4.15Å; M62-W325 HydrophobicContact CG-CG 4.17Å; A321-W325 VanDerWaalsContact O-CB 3.3Å; A321-W325 WeakPolarHBondContact O-CB 3.46Å; A321-W325 PolarHBondContact O-N 3.07Å; L322-W325 HydrophobicContact CD1-CE3 4.07Å; L322-W325 HydrophobicContact CD1-CZ3 4.33Å; L322-W325 PolarHBondContact O-N 3.08Å; W325-G327 PolarHBondContact O-N 2.96Å; W325-Q328 PolarHBondContact NE1-O 2.84Å; W325-Q328 PolarHBondContact O-N 3.15Å; W325-N331 VanDerWaalsContact O-CB 3.26Å; W325-N331 WeakPolarHBondContact O-CB 3.33Å; W325-N331 PolarHBondContact O-ND2 3.18Å |
| 326 | K | 96.2 | Very high | 97.1 | Very high | 112 Ų | 112 | 38.2 Ų | 38.2 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 17.7 | 179.4 | -54.6 | -176.9 | 178.7 | 176.6 | 0 | 115.6 | L322 N323 Q328 | L322-K326 PolarHBondContact O-N 2.52Å; N323-K326 VanDerWaalsContact O-CE 3.3Å; N323-K326 WeakPolarHBondContact O-CE 3.37Å; N323-K326 WeakPolarHBondContact O-CG 3.36Å; K326-Q328 VanDerWaalsContact C-N 3.31Å; K326-Q328 HydrophobicContact CB-CG 4.48Å |
| 327 | G | 96.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 12.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L49 W325 | L49-G327 VanDerWaalsContact CD1-CA 3.44Å; W325-G327 PolarHBondContact O-N 2.96Å |
| 328 | Q | 96.7 | Very high | 97.2 | Very high | 105 Ų | 105 | 42.5 Ų | 42.5 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | trans | -106.3 | 127.6 | -174.2 | -62.1 | 177.2 | -5.2 | 0 | 0 | 110.2 | W325 K326 G330 N331 | W325-Q328 PolarHBondContact NE1-O 2.84Å; W325-Q328 PolarHBondContact O-N 3.15Å; K326-Q328 VanDerWaalsContact C-N 3.31Å; K326-Q328 HydrophobicContact CB-CG 4.48Å; Q328-G330 PolarHBondContact O-N 3.37Å; Q328-N331 HydrophobicContact CB-CB 4.27Å; Q328-N331 PolarHBondContact O-N 2.98Å; Q328-N331 PolarHBondContact OE1-ND2 3.09Å | ||
| 329 | D | 95.3 | Very high | 97.2 | Very high | 102 Ų | 102 | 42.5 Ų | 42.5 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -58.9 | -34.5 | -179.9 | -66.9 | -19.9 | 0 | 0 | 0 | 111.5 | K58 N331 V332 | K58-D329 IonicContact NZ-OD1 3.53Å; K58-D329 PolarHBondContact NZ-OD1 2.92Å; K58-D329 IonicContact NZ-OD2 2.84Å; K58-D329 PolarHBondContact NZ-OD2 3.04Å; D329-N331 PolarHBondContact O-N 2.71Å; D329-V332 VanDerWaalsContact O-CG2 3.28Å; D329-V332 WeakPolarHBondContact O-CG2 3.38Å; D329-V332 PolarHBondContact O-N 2.69Å |
| 330 | G | 97.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 77% | 0.773 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -65.7 | -16.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q328 | Q328-G330 PolarHBondContact O-N 3.37Š|
| 331 | N | 98.2 | Very high | 97.4 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -104.1 | 9.7 | -177.9 | -65.5 | -18.7 | 0 | 0 | 0 | 113.3 | W325 Q328 D329 A333 A334 G335 | W325-N331 VanDerWaalsContact O-CB 3.26Å; W325-N331 WeakPolarHBondContact O-CB 3.33Å; W325-N331 PolarHBondContact O-ND2 3.18Å; Q328-N331 HydrophobicContact CB-CB 4.27Å; Q328-N331 PolarHBondContact O-N 2.98Å; Q328-N331 PolarHBondContact OE1-ND2 3.09Å; D329-N331 PolarHBondContact O-N 2.71Å; N331-A333 VanDerWaalsContact C-N 3.28Å; N331-A333 PolarHBondContact O-N 2.62Å; N331-A334 WeakPolarHBondContact O-CB 3.33Å; N331-A334 PolarHBondContact O-N 3.32Å; N331-A334 VanDerWaalsContact O-N 3.08Å; N331-G335 PolarHBondContact O-N 2.66Å |
| 332 | V | 98.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.8 | -46.8 | 179.3 | 168 | 0 | 0 | 0 | 0 | 111.1 | M62 D329 A334 G335 Q336 | M62-V332 HydrophobicContact CG-CG1 4.25Å; D329-V332 VanDerWaalsContact O-CG2 3.28Å; D329-V332 WeakPolarHBondContact O-CG2 3.38Å; D329-V332 PolarHBondContact O-N 2.69Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 3.13Å; V332-G335 PolarHBondContact O-N 3.23Å; V332-Q336 HydrophobicContact CG1-CG 4.35Å; V332-Q336 WeakPolarHBondContact O-CB 3.27Å; V332-Q336 VanDerWaalsContact O-CG 3.3Å; V332-Q336 WeakPolarHBondContact O-CG 3.41Å; V332-Q336 PolarHBondContact O-N 2.93Å |
| 333 | A | 98.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 60% | 0.595 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.7 | -37.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N331 Q336 A337 | N331-A333 VanDerWaalsContact C-N 3.28Å; N331-A333 PolarHBondContact O-N 2.62Å; A333-Q336 PolarHBondContact O-N 3.43Å; A333-A337 WeakPolarHBondContact O-CB 3.26Å; A333-A337 PolarHBondContact O-N 3.22Å |
| 334 | A | 98.2 | Very high | 97.6 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A324 N331 V332 A337 E338 | A324-A334 HydrophobicContact CB-CB 4.29Å; N331-A334 WeakPolarHBondContact O-CB 3.33Å; N331-A334 PolarHBondContact O-N 3.32Å; N331-A334 VanDerWaalsContact O-N 3.08Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 3.13Å; A334-A337 PolarHBondContact O-N 3.34Å; A334-E338 PolarHBondContact O-N 2.95Å |
| 335 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A321 N331 V332 E338 F339 | A321-G335 WeakPolarHBondContact CB-O 3.4Å; A321-G335 WeakPolarHBondContact O-CA 3.49Å; N331-G335 PolarHBondContact O-N 2.66Å; V332-G335 PolarHBondContact O-N 3.23Å; G335-E338 PolarHBondContact O-N 2.64Å; G335-F339 PolarHBondContact O-N 2.85Å |
| 336 | Q | 98.6 | Very high | 97.7 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 21% | 0.21 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.9 | -73.8 | -177 | -16.2 | 0 | 0 | 112.2 | M62 L65 V332 A333 E338 F339 I340 | M62-Q336 HydrophobicContact CG-CG 4.26Å; M62-Q336 WeakPolarHBondContact O-CG 3.33Å; M62-Q336 PolarHBondContact O-NE2 3.11Å; M62-Q336 VanDerWaalsContact O-NE2 3.11Å; M62-Q336 HydrophobicContact SD-CG 4.19Å; L65-Q336 PolarHBondContact O-NE2 3.4Å; V332-Q336 HydrophobicContact CG1-CG 4.35Å; V332-Q336 WeakPolarHBondContact O-CB 3.27Å; V332-Q336 VanDerWaalsContact O-CG 3.3Å; V332-Q336 WeakPolarHBondContact O-CG 3.41Å; V332-Q336 PolarHBondContact O-N 2.93Å; A333-Q336 PolarHBondContact O-N 3.43Å; Q336-E338 PolarHBondContact O-N 3.43Å; Q336-F339 PolarHBondContact O-N 2.89Å; Q336-I340 WeakPolarHBondContact O-CB 3.34Å; Q336-I340 VanDerWaalsContact O-CG1 3.27Å; Q336-I340 WeakPolarHBondContact O-CG1 3.47Å; Q336-I340 PolarHBondContact O-N 3.34Å |
| 337 | A | 97.9 | Very high | 97.8 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A333 A334 I340 K341 | A333-A337 WeakPolarHBondContact O-CB 3.26Å; A333-A337 PolarHBondContact O-N 3.22Å; A334-A337 PolarHBondContact O-N 3.34Å; A337-I340 PolarHBondContact O-N 3.34Å; A337-K341 WeakPolarHBondContact O-CG 3.44Å; A337-K341 PolarHBondContact O-N 3.34Å |
| 338 | E | 97.5 | Very high | 98 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 177.4 | -70.7 | -53.9 | 126.7 | 0 | 0 | 112.6 | A324 A334 G335 Q336 I340 K341 R342 | A324-E338 HydrophobicContact CB-CB 4.38Å; A324-E338 HydrophobicContact CB-CG 3.77Å; A334-E338 PolarHBondContact O-N 2.95Å; G335-E338 PolarHBondContact O-N 2.64Å; Q336-E338 PolarHBondContact O-N 3.43Å; E338-I340 VanDerWaalsContact C-N 3.34Å; E338-I340 PolarHBondContact O-N 3.32Å; E338-K341 PolarHBondContact O-N 3.28Å; E338-K341 IonicContact OE1-NZ 2.69Å; E338-K341 PolarHBondContact OE1-NZ 3.05Å; E338-R342 PolarHBondContact O-N 2.85Å; E338-R342 VanDerWaalsContact O-N 3.12Å |
| 339 | F | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 173.6 | 175.7 | -100.5 | 0 | 0 | 0 | 111.6 | L31 L63 S66 W71 L317 A321 G335 Q336 K341 R342 A343 | L31-F339 HydrophobicContact CD1-CE2 4.1Å; L31-F339 HydrophobicContact CD2-CE2 4.04Å; L31-F339 HydrophobicContact CD2-CZ 4.07Å; L63-F339 HydrophobicContact CD2-CB 4.12Å; L63-F339 HydrophobicContact CD2-CD2 3.64Å; L63-F339 HydrophobicContact CD2-CE2 4.3Å; L63-F339 HydrophobicContact CD2-CG 3.98Å; S66-F339 VanDerWaalsContact OG-CD1 3.3Å; S66-F339 WeakPolarHBondContact OG-CD1 3.43Å; W71-F339 HydrophobicContact CD2-CE1 4.49Å; W71-F339 AromaticContact CE2-CE1 3.57Å; W71-F339 AromaticContact CE2-CZ 3.96Å; W71-F339 HydrophobicContact CH2-CZ 4.16Å; W71-F339 AromaticContact CZ2-CE1 3.59Å; W71-F339 HydrophobicContact CZ2-CE1 3.59Å; W71-F339 AromaticContact CZ2-CZ 3.56Å; W71-F339 HydrophobicContact CZ2-CZ 3.56Å; W71-F339 AromaticContact NE1-CE1 3.49Å; L317-F339 HydrophobicContact CD1-CD2 4.35Å; L317-F339 HydrophobicContact CD1-CE2 4.08Å; L317-F339 HydrophobicContact CD2-CE2 4.22Å; L317-F339 HydrophobicContact CG-CD2 4.31Å; L317-F339 HydrophobicContact CG-CE2 3.79Å; L317-F339 WeakPolarHBondContact O-CD2 3.47Å; A321-F339 HydrophobicContact CB-CB 3.81Å; G335-F339 PolarHBondContact O-N 2.85Å; Q336-F339 PolarHBondContact O-N 2.89Å; F339-K341 PolarHBondContact O-N 3.25Å; F339-R342 PolarHBondContact O-N 3.49Å; F339-A343 WeakPolarHBondContact O-CB 3.28Å; F339-A343 PolarHBondContact O-N 3.5Å |
| 340 | I | 98 | Very high | 98.2 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | -179.7 | -73.3 | -51.4 | 0 | 0 | 0 | 112.2 | S66 D67 V70 Q336 A337 E338 R342 A343 K344 | S66-I340 VanDerWaalsContact OG-CD1 3.3Å; S66-I340 WeakPolarHBondContact OG-CD1 3.33Å; D67-I340 HydrophobicContact CB-CD1 3.91Å; D67-I340 HydrophobicContact CB-CG1 4.02Å; V70-I340 HydrophobicContact CB-CD1 3.78Å; V70-I340 HydrophobicContact CB-CG2 4.33Å; V70-I340 HydrophobicContact CG1-CD1 3.83Å; V70-I340 HydrophobicContact CG1-CG2 4.09Å; V70-I340 HydrophobicContact CG2-CD1 4.44Å; V70-I340 HydrophobicContact CG2-CG2 3.99Å; Q336-I340 WeakPolarHBondContact O-CB 3.34Å; Q336-I340 VanDerWaalsContact O-CG1 3.27Å; Q336-I340 WeakPolarHBondContact O-CG1 3.47Å; Q336-I340 PolarHBondContact O-N 3.34Å; A337-I340 PolarHBondContact O-N 3.34Å; E338-I340 VanDerWaalsContact C-N 3.34Å; E338-I340 PolarHBondContact O-N 3.32Å; I340-R342 PolarHBondContact O-N 2.9Å; I340-A343 PolarHBondContact O-N 2.99Å; I340-K344 HydrophobicContact CG2-CD 4.32Å; I340-K344 WeakPolarHBondContact O-CG 3.43Å; I340-K344 PolarHBondContact O-N 3.05Å |
| 341 | K | 97.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 32.2 Ų | 32.2 | 40% | 0.4 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 173.9 | -72.7 | 171.7 | -171.7 | 173.4 | 0 | 111 | A337 E338 F339 K344 A345 Y358 | A337-K341 WeakPolarHBondContact O-CG 3.44Å; A337-K341 PolarHBondContact O-N 3.34Å; E338-K341 PolarHBondContact O-N 3.28Å; E338-K341 IonicContact OE1-NZ 2.69Å; E338-K341 PolarHBondContact OE1-NZ 3.05Å; F339-K341 PolarHBondContact O-N 3.25Å; K341-K344 PolarHBondContact O-N 2.97Å; K341-A345 PolarHBondContact O-N 3.4Å; K341-Y358 HydrophobicContact CB-CD1 4.14Å; K341-Y358 HydrophobicContact CG-CD1 4.32Å |
| 342 | R | 97.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.1 | -35.4 | -178 | -169.2 | 48.7 | 56.9 | -175.5 | -5.8 | 112.6 | E284 E285 T288 A316 L317 E338 F339 I340 A345 N346 Y358 | E284-R342 PolarHBondContact O-NH1 3.05Å; E285-R342 IonicContact OE2-CZ 3.47Å; E285-R342 IonicContact OE2-NH1 3.44Å; E285-R342 PolarHBondContact OE2-NH1 3.34Å; E285-R342 IonicContact OE2-NH2 2.71Å; E285-R342 PolarHBondContact OE2-NH2 2.94Å; T288-R342 PolarHBondContact OG1-NH1 3.14Å; A316-R342 WeakPolarHBondContact O-CG 3.36Å; L317-R342 HydrophobicContact CD1-CB 4.05Å; L317-R342 HydrophobicContact CD1-CG 3.9Å; E338-R342 PolarHBondContact O-N 2.85Å; E338-R342 VanDerWaalsContact O-N 3.12Å; F339-R342 PolarHBondContact O-N 3.49Å; I340-R342 PolarHBondContact O-N 2.9Å; R342-A345 PolarHBondContact O-N 3.28Å; R342-N346 PolarHBondContact O-N 3Å; R342-N346 PolarHBondContact O-ND2 3.49Å; R342-Y358 PolarHBondContact NH2-O 3.25Å; R342-Y358 VanDerWaalsContact NH2-O 3.15Å |
| 343 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L317 F339 I340 N346 S347 | L317-A343 HydrophobicContact CD1-CB 4.2Å; F339-A343 WeakPolarHBondContact O-CB 3.28Å; F339-A343 PolarHBondContact O-N 3.5Å; I340-A343 PolarHBondContact O-N 2.99Å; A343-N346 PolarHBondContact O-N 3.4Å; A343-S347 WeakPolarHBondContact O-CB 3.28Å; A343-S347 PolarHBondContact O-N 3.27Å |
| 344 | K | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 32.9 Ų | 32.9 | 32% | 0.317 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.6 | -72 | 176.1 | 178.8 | 177.9 | 0 | 112.3 | V70 T74 I340 K341 N346 S347 L348 Y358 | V70-K344 HydrophobicContact CG1-CD 4.44Å; V70-K344 HydrophobicContact CG1-CG 3.86Å; T74-K344 HydrophobicContact CG2-CG 4.43Å; I340-K344 HydrophobicContact CG2-CD 4.32Å; I340-K344 WeakPolarHBondContact O-CG 3.43Å; I340-K344 PolarHBondContact O-N 3.05Å; K341-K344 PolarHBondContact O-N 2.97Å; K344-N346 PolarHBondContact O-N 3.26Å; K344-S347 PolarHBondContact O-N 2.92Å; K344-L348 WeakPolarHBondContact O-CG 3.33Å; K344-L348 PolarHBondContact O-N 2.8Å; K344-Y358 HydrophobicContact CB-CE2 3.8Å |
| 345 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T288 K341 R342 S347 L348 A349 Y354 Y358 | T288-A345 HydrophobicContact CG2-CB 3.98Å; T288-A345 WeakPolarHBondContact CG2-O 3.25Å; K341-A345 PolarHBondContact O-N 3.4Å; R342-A345 PolarHBondContact O-N 3.28Å; A345-S347 PolarHBondContact O-N 3.27Å; A345-L348 PolarHBondContact O-N 2.65Å; A345-A349 PolarHBondContact O-N 3.04Å; A345-Y354 HydrophobicContact CB-CD2 4.21Å; A345-Y354 HydrophobicContact CB-CE2 3.75Å; A345-Y358 HydrophobicContact CB-CD2 3.61Å; A345-Y358 HydrophobicContact CB-CG 4.04Å |
| 346 | N | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 178.8 | -68.4 | -33.9 | 0 | 0 | 0 | 112.6 | T288 F311 R342 A343 K344 A349 C350 | T288-N346 PolarHBondContact OG1-OD1 2.8Å; F311-N346 HydrophobicContact CD1-CB 3.71Å; F311-N346 HydrophobicContact CD2-CB 4.49Å; F311-N346 HydrophobicContact CE1-CB 3.47Å; F311-N346 VanDerWaalsContact CE1-CB 3.47Å; F311-N346 HydrophobicContact CE2-CB 4.28Å; F311-N346 HydrophobicContact CG-CB 4.23Å; F311-N346 HydrophobicContact CZ-CB 3.77Å; R342-N346 PolarHBondContact O-N 3Å; R342-N346 PolarHBondContact O-ND2 3.49Å; A343-N346 PolarHBondContact O-N 3.4Å; K344-N346 PolarHBondContact O-N 3.26Å; N346-A349 WeakPolarHBondContact O-CB 3.44Å; N346-A349 PolarHBondContact O-N 3.29Å; N346-C350 PolarHBondContact O-N 2.9Å; N346-C350 PolarHBondContact O-SG 2.92Å |
| 347 | S | 98.5 | Very high | 97.4 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | G27 A343 K344 A345 A349 C350 | G27-S347 VanDerWaalsContact O-CA 3.31Å; G27-S347 WeakPolarHBondContact O-CA 3.46Å; G27-S347 WeakPolarHBondContact O-CB 3.43Å; G27-S347 PolarHBondContact O-OG 3.47Å; A343-S347 WeakPolarHBondContact O-CB 3.28Å; A343-S347 PolarHBondContact O-N 3.27Å; K344-S347 PolarHBondContact O-N 2.92Å; A345-S347 PolarHBondContact O-N 3.27Å; S347-A349 VanDerWaalsContact C-N 3.33Å; S347-A349 PolarHBondContact O-N 3.46Å; S347-C350 WeakPolarHBondContact O-CB 3.07Å; S347-C350 PolarHBondContact O-N 2.98Å |
| 348 | L | 98.6 | Very high | 97.1 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 174.6 | -70.4 | 169.7 | 0 | 0 | 0 | 112.2 | K344 A345 C350 V351 G352 K353 Y354 Q357 Y358 | K344-L348 WeakPolarHBondContact O-CG 3.33Å; K344-L348 PolarHBondContact O-N 2.8Å; A345-L348 PolarHBondContact O-N 2.65Å; L348-C350 VanDerWaalsContact C-N 3.33Å; L348-C350 PolarHBondContact O-N 3.35Å; L348-V351 CarbonylContact O-C 3.56Å; L348-V351 VanDerWaalsContact O-CG2 3.26Å; L348-V351 WeakPolarHBondContact O-CG2 3.31Å; L348-V351 PolarHBondContact O-N 3.33Å; L348-G352 PolarHBondContact O-N 3.39Å; L348-G352 VanDerWaalsContact O-N 3.14Å; L348-K353 HydrophobicContact CD2-CB 4.14Å; L348-K353 PolarHBondContact O-N 2.81Å; L348-Y354 HydrophobicContact CB-CD2 4.37Å; L348-Y354 HydrophobicContact CD1-CD2 4.43Å; L348-Q357 VanDerWaalsContact CD1-NE2 3.29Å; L348-Y358 HydrophobicContact CD1-CE2 3.89Å |
| 349 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T288 L291 N292 N295 A345 N346 S347 V351 G352 | T288-A349 HydrophobicContact CG2-CB 3.8Å; T288-A349 WeakPolarHBondContact O-CB 3.44Å; L291-A349 HydrophobicContact CB-CB 4.15Å; L291-A349 HydrophobicContact CD2-CB 4.03Å; L291-A349 HydrophobicContact CG-CB 4.08Å; N292-A349 WeakPolarHBondContact CA-O 3.3Å; N292-A349 HydrophobicContact CB-CB 3.85Å; N295-A349 PolarHBondContact ND2-O 2.83Å; A345-A349 PolarHBondContact O-N 3.04Å; N346-A349 WeakPolarHBondContact O-CB 3.44Å; N346-A349 PolarHBondContact O-N 3.29Å; S347-A349 VanDerWaalsContact C-N 3.33Å; S347-A349 PolarHBondContact O-N 3.46Å; A349-V351 PolarHBondContact O-N 2.81Å; A349-G352 PolarHBondContact O-N 3.34Å; A349-G352 VanDerWaalsContact O-N 3.14Å |
| 350 | C | 97.7 | Very high | 96.1 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.081 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -25.6 | 175 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | N295 T310 F311 N346 S347 L348 | N295-C350 VanDerWaalsContact CG-O 3.27Å; N295-C350 PolarHBondContact OD1-O 2.7Å; T310-C350 PolarHBondContact OG1-SG 3.43Å; F311-C350 WeakPolarHBondContact CD1-SG 3.19Å; F311-C350 VanDerWaalsContact CE1-SG 3.56Å; N346-C350 PolarHBondContact O-N 2.9Å; N346-C350 PolarHBondContact O-SG 2.92Å; S347-C350 WeakPolarHBondContact O-CB 3.07Å; S347-C350 PolarHBondContact O-N 2.98Å; L348-C350 VanDerWaalsContact C-N 3.33Å; L348-C350 PolarHBondContact O-N 3.35Å |
| 351 | V | 96.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 11.5 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | L348 A349 K353 | L348-V351 CarbonylContact O-C 3.56Å; L348-V351 VanDerWaalsContact O-CG2 3.26Å; L348-V351 WeakPolarHBondContact O-CG2 3.31Å; L348-V351 PolarHBondContact O-N 3.33Å; A349-V351 PolarHBondContact O-N 2.81Å; V351-K353 VanDerWaalsContact C-N 3.3Å; V351-K353 HydrophobicContact CG2-CB 4.09Å; V351-K353 HydrophobicContact CG2-CD 4.04Å; V351-K353 HydrophobicContact CG2-CG 4.04Å; V351-K353 PolarHBondContact O-N 2.75Å |
| 352 | G | 96.9 | Very high | 95 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 23.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N292 T296 L348 A349 | N292-G352 WeakPolarHBondContact OD1-CA 3.3Å; T296-G352 WeakPolarHBondContact CG2-O 3.3Å; L348-G352 PolarHBondContact O-N 3.39Å; L348-G352 VanDerWaalsContact O-N 3.14Å; A349-G352 PolarHBondContact O-N 3.34Å; A349-G352 VanDerWaalsContact O-N 3.14Å |
| 353 | K | 97.9 | Very high | 94.5 | Very high | 142 Ų | 142 | 49.1 Ų | 49.1 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | trans | -113.9 | 10.1 | -175.4 | -65 | -178 | -178.6 | -179.6 | 0 | 113.8 | N292 L348 V351 | N292-K353 PolarHBondContact OD1-N 3.31Å; L348-K353 HydrophobicContact CD2-CB 4.14Å; L348-K353 PolarHBondContact O-N 2.81Å; V351-K353 VanDerWaalsContact C-N 3.3Å; V351-K353 HydrophobicContact CG2-CB 4.09Å; V351-K353 HydrophobicContact CG2-CD 4.04Å; V351-K353 HydrophobicContact CG2-CG 4.04Å; V351-K353 PolarHBondContact O-N 2.75Å | ||
| 354 | Y | 98.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | trans | -77.5 | 131.2 | 177.1 | -176.9 | -114.6 | 0 | 0 | 0 | 110.5 | E285 T288 V289 N292 A345 L348 G356 Q357 Y358 C359 | E285-Y354 WeakPolarHBondContact OE1-CE1 3.27Å; E285-Y354 VanDerWaalsContact OE1-CZ 3.3Å; E285-Y354 PolarHBondContact OE1-OH 3.25Å; E285-Y354 PolarHBondContact OE2-OH 2.94Å; T288-Y354 HydrophobicContact CG2-CD1 3.5Å; T288-Y354 VanDerWaalsContact CG2-CD1 3.5Å; T288-Y354 HydrophobicContact CG2-CD2 4.13Å; T288-Y354 HydrophobicContact CG2-CE1 3.56Å; T288-Y354 HydrophobicContact CG2-CE2 4.21Å; T288-Y354 HydrophobicContact CG2-CG 3.77Å; V289-Y354 HydrophobicContact CG2-CD1 4.32Å; V289-Y354 HydrophobicContact CG2-CE1 3.9Å; N292-Y354 PolarHBondContact ND2-O 3.24Å; N292-Y354 WeakPolarHBondContact OD1-CB 3.41Å; N292-Y354 PolarHBondContact OD1-N 3.49Å; A345-Y354 HydrophobicContact CB-CD2 4.21Å; A345-Y354 HydrophobicContact CB-CE2 3.75Å; L348-Y354 HydrophobicContact CB-CD2 4.37Å; L348-Y354 HydrophobicContact CD1-CD2 4.43Å; Y354-G356 WeakPolarHBondContact OH-CA 3.04Å; Y354-Q357 VanDerWaalsContact CD2-OE1 3.22Å; Y354-Y358 HydrophobicContact CE2-CD2 4.03Å; Y354-C359 PolarHBondContact OH-N 3.32Å | ||
| 355 | T | 96 | Very high | 93.7 | Very high | 116 Ų | 116 | 54 Ų | 54 | 71% | 0.712 | 30% | 0.302 | S | S | * | . | trans | -124.7 | 17.9 | -175 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | Q357 | T355-Q357 PolarHBondContact OG1-OE1 3.43Å; T355-Q357 VanDerWaalsContact OG1-OE1 3.11Å | ||
| 356 | G | 93.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 84.9 | 5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y354 Y358 C359 | Y354-G356 WeakPolarHBondContact OH-CA 3.04Å; G356-Y358 PolarHBondContact O-N 3.31Å; G356-C359 WeakPolarHBondContact O-CB 3.41Å; G356-C359 PolarHBondContact O-N 3.33Å; G356-C359 VanDerWaalsContact O-N 3.11Å |
| 357 | Q | 92.4 | Very high | 92.9 | Very high | 94 Ų | 94 | 58.9 Ų | 58.9 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.5 | -171.2 | 67.8 | -93.8 | 62.4 | 0 | 0 | 115.2 | L348 Y354 T355 | L348-Q357 VanDerWaalsContact CD1-NE2 3.29Å; Y354-Q357 VanDerWaalsContact CD2-OE1 3.22Å; T355-Q357 PolarHBondContact OG1-OE1 3.43Å; T355-Q357 VanDerWaalsContact OG1-OE1 3.11Å |
| 358 | Y | 91.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 60.7 Ų | 60.7 | 29% | 0.286 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 11 | 178.3 | -63.4 | -65.7 | 0 | 0 | 0 | 112.8 | K341 R342 K344 A345 L348 Y354 G356 | K341-Y358 HydrophobicContact CB-CD1 4.14Å; K341-Y358 HydrophobicContact CG-CD1 4.32Å; R342-Y358 PolarHBondContact NH2-O 3.25Å; R342-Y358 VanDerWaalsContact NH2-O 3.15Å; K344-Y358 HydrophobicContact CB-CE2 3.8Å; A345-Y358 HydrophobicContact CB-CD2 3.61Å; A345-Y358 HydrophobicContact CB-CG 4.04Å; L348-Y358 HydrophobicContact CD1-CE2 3.89Å; Y354-Y358 HydrophobicContact CE2-CD2 4.03Å; G356-Y358 PolarHBondContact O-N 3.31Å |
| 359 | C | 88.9 | Confident | 91.8 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 43% | 0.432 | 35% | 0.346 | S | S | . | . | trans | -65.4 | 145.1 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | E285 Y354 G356 | E285-C359 HydrophobicContact CG-CB 4.23Å; Y354-C359 PolarHBondContact OH-N 3.32Å; G356-C359 WeakPolarHBondContact O-CB 3.41Å; G356-C359 PolarHBondContact O-N 3.33Å; G356-C359 VanDerWaalsContact O-N 3.11Å | ||
| 360 | S | 86.6 | Confident | 91.1 | Very high | 42 Ų | 42 | 65.3 Ų | 65.3 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | trans | -150.9 | 163.9 | 173.5 | 73.6 | 0 | 0 | 0 | 0 | 110.4 | N362 A363 S364 | S360-N362 PolarHBondContact O-N 3.13Å; S360-A363 PolarHBondContact O-N 3.45Å; S360-A363 VanDerWaalsContact O-N 3.1Å; S360-A363 WeakPolarHBondContact OG-CB 3.39Å; S360-A363 PolarHBondContact OG-N 3Å; S360-A363 VanDerWaalsContact OG-N 3.1Å; S360-S364 PolarHBondContact O-N 3.1Å; S360-S364 PolarHBondContact O-OG 3.28Å | ||
| 361 | D | 84.9 | Confident | 90 | Very high | 144 Ų | 144 | 66.8 Ų | 66.8 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -37.7 | 176 | -66.4 | -14.4 | 0 | 0 | 0 | 111.8 | S364 | D361-S364 PolarHBondContact O-N 3.1Š|
| 362 | N | 86.7 | Confident | 88.9 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -40.2 | 176.8 | -76.3 | -30.3 | 0 | 0 | 0 | 112 | S360 S364 K365 | S360-N362 PolarHBondContact O-N 3.13Å; N362-S364 PolarHBondContact O-N 2.76Å; N362-K365 PolarHBondContact O-N 2.87Å; N362-K365 PolarHBondContact OD1-NZ 3.43Å |
| 363 | A | 88 | Confident | 87.6 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S283 E284 E285 S360 | S283-A363 WeakPolarHBondContact CB-O 3.14Å; E284-A363 HydrophobicContact CB-CB 4.15Å; E284-A363 PolarHBondContact N-O 3.39Å; E284-A363 VanDerWaalsContact N-O 3.1Å; E285-A363 HydrophobicContact CB-CB 4.4Å; E285-A363 PolarHBondContact N-O 3.27Å; S360-A363 PolarHBondContact O-N 3.45Å; S360-A363 VanDerWaalsContact O-N 3.1Å; S360-A363 WeakPolarHBondContact OG-CB 3.39Å; S360-A363 PolarHBondContact OG-N 3Å; S360-A363 VanDerWaalsContact OG-N 3.1Å |
| 364 | S | 89.1 | Confident | 85.7 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7 | -179.7 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | S360 D361 N362 | S360-S364 PolarHBondContact O-N 3.1Å; S360-S364 PolarHBondContact O-OG 3.28Å; D361-S364 PolarHBondContact O-N 3.1Å; N362-S364 PolarHBondContact O-N 2.76Å |
| 365 | K | 89.9 | Confident | 85.1 | Confident | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -72.3 | 132.4 | 179.5 | -72.9 | 171.9 | -177.5 | 167.9 | 0 | 110.8 | S283 N362 L367 | S283-K365 WeakPolarHBondContact CA-O 3.32Å; S283-K365 WeakPolarHBondContact CB-O 3.13Å; N362-K365 PolarHBondContact O-N 2.87Å; N362-K365 PolarHBondContact OD1-NZ 3.43Å; K365-L367 PolarHBondContact O-N 2.98Å |
| 366 | S | 89.5 | Confident | 84.5 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | trans | -56.4 | 135.7 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | F368 | S366-F368 WeakPolarHBondContact OG-CB 3.48Å; S366-F368 PolarHBondContact OG-N 3.29Å | ||
| 367 | L | 90.7 | Very high | 84 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | trans | -105.9 | 10 | 175.9 | -62.4 | 172.1 | 0 | 0 | 0 | 111.4 | G281 E284 R315 A316 A319 K365 | G281-L367 CarbonylContact O-C 3.2Å; G281-L367 PolarHBondContact O-N 2.86Å; E284-L367 HydrophobicContact CG-CD1 3.9Å; R315-L367 HydrophobicContact CB-CD1 4.04Å; R315-L367 PolarHBondContact NH1-O 3.3Å; A316-L367 HydrophobicContact CB-CD1 4.4Å; A319-L367 HydrophobicContact CB-CD1 4.1Å; A319-L367 HydrophobicContact CB-CD2 3.57Å; K365-L367 PolarHBondContact O-N 2.98Å | ||
| 368 | F | 89.6 | Confident | 83.5 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.254 | 37% | 0.367 | S | S | . | . | trans | -65.5 | 139 | -175 | 174.4 | -106.5 | 0 | 0 | 0 | 111.5 | P200 Q245 G281 S366 A370 | P200-F368 HydrophobicContact CG-CD2 4.12Å; P200-F368 HydrophobicContact CG-CE2 3.95Å; Q245-F368 HydrophobicContact CB-CD1 4.48Å; Q245-F368 HydrophobicContact CB-CD2 4.27Å; Q245-F368 HydrophobicContact CB-CE1 4.26Å; Q245-F368 HydrophobicContact CB-CE2 4.08Å; Q245-F368 HydrophobicContact CB-CG 4.46Å; Q245-F368 HydrophobicContact CB-CZ 4.05Å; Q245-F368 HydrophobicContact CG-CB 4.38Å; Q245-F368 HydrophobicContact CG-CD1 3.67Å; Q245-F368 HydrophobicContact CG-CD2 4.05Å; Q245-F368 HydrophobicContact CG-CE1 3.83Å; Q245-F368 HydrophobicContact CG-CE2 4.23Å; Q245-F368 HydrophobicContact CG-CG 3.76Å; Q245-F368 HydrophobicContact CG-CZ 4.11Å; G281-F368 WeakPolarHBondContact O-CA 3.41Å; G281-F368 PolarHBondContact O-N 3.13Å; S366-F368 WeakPolarHBondContact OG-CB 3.48Å; S366-F368 PolarHBondContact OG-N 3.29Å; F368-A370 HydrophobicContact CE1-CB 3.97Å; F368-A370 HydrophobicContact CZ-CB 4.01Å | ||
| 369 | V | 84.2 | Confident | 83.1 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | trans | -132.4 | 119.5 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 105.9 | H372 | V369-H372 HydrophobicContact CB-CB 4.3Å; V369-H372 HydrophobicContact CG1-CB 4.48Å; V369-H372 WeakPolarHBondContact O-CB 3.49Å; V369-H372 PolarHBondContact O-N 3.41Å | ||
| 370 | A | 85.1 | Confident | 82.7 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 61% | 0.612 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 137.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D201 F368 H372 | D201-A370 WeakPolarHBondContact OD1-CA 3.12Å; F368-A370 HydrophobicContact CE1-CB 3.97Å; F368-A370 HydrophobicContact CZ-CB 4.01Å; A370-H372 VanDerWaalsContact C-N 3.26Å; A370-H372 PolarHBondContact O-N 2.92Å |
| 371 | G | 74 | Confident | 82.4 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D201 A373 | D201-G371 PolarHBondContact OD1-N 2.74Å; G371-A373 PolarHBondContact O-N 3.24Å |
| 372 | H | 73.2 | Confident | 82.2 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | trans | -58.6 | 105.2 | -169.7 | -165.9 | 53.1 | 0 | 0 | 0 | 113.1 | R156 R315 V369 A370 Y374 | R156-H372 PolarHBondContact NH2-O 3.19Å; R315-H372 PolarHBondContact NH2-CD2 2.88Å; R315-H372 VanDerWaalsContact NH2-CD2 3.3Å; V369-H372 HydrophobicContact CB-CB 4.3Å; V369-H372 HydrophobicContact CG1-CB 4.48Å; V369-H372 WeakPolarHBondContact O-CB 3.49Å; V369-H372 PolarHBondContact O-N 3.41Å; A370-H372 VanDerWaalsContact C-N 3.26Å; A370-H372 PolarHBondContact O-N 2.92Å; H372-Y374 AromaticContact NE2-CE1 3.93Å | ||
| 373 | A | 69.1 | Low | 81.8 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | trans | -113.2 | 141.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K42 G371 | K42-A373 PolarHBondContact NZ-O 3.33Å; G371-A373 PolarHBondContact O-N 3.24Å | ||
| 374 | Y | 59.5 | Low | 81.3 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | trans | -78.9 | 0 | -178 | -75.2 | -69.8 | 0 | 0 | 0 | 113.6 | S36 S39 R156 H372 | S36-Y374 PolarHBondContact OG-OXT 2.87Å; S39-Y374 WeakPolarHBondContact OG-CA 3.45Å; S39-Y374 WeakPolarHBondContact OG-CD1 3.36Å; S39-Y374 PolarHBondContact OG-OXT 3.3Å; R156-Y374 VanDerWaalsContact CD-CE2 3.49Å; H372-Y374 AromaticContact NE2-CE1 3.93Å |
Retrieved 374 of 374 residues in 304.9 ms
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