| 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 | 33 | Very low | 64.1 | Low | 235 Ų | 235 | 117.6 Ų | 117.6 | 100% | 1.158 | 64% | 0.637 | S | S | * | * | 0 | 72.6 | 0 | -58.9 | -46.6 | -164.6 | 0 | 0 | 108.4 | |||||
| 2 | S | 35.9 | Very low | 66.2 | Low | 119 Ų | 119 | 110 Ų | 110 | 83% | 0.832 | 60% | 0.597 | S | S | * | * | trans | -157.2 | 51.7 | -162.3 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | S | 42.6 | Very low | 67.9 | Low | 117 Ų | 117 | 105.8 Ų | 105.8 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | trans | -160.3 | 15.5 | 175.7 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | D5 | S3-D5 PolarHBondContact O-N 3.04Š| ||
| 4 | E | 47.1 | Very low | 69.4 | Low | 182 Ų | 182 | 102.4 Ų | 102.4 | 85% | 0.85 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -84.2 | 115.3 | -179.6 | -69.1 | -169.5 | 144.6 | 0 | 0 | 110.6 | ||
| 5 | D | 56.3 | Low | 70.8 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | trans | 52.8 | 83.2 | 165.3 | -59.2 | -11.2 | 0 | 0 | 0 | 117.5 | S3 W7 H18 | S3-D5 PolarHBondContact O-N 3.04Å; D5-W7 PolarHBondContact O-N 3.15Å; D5-H18 IonicContact OD2-CE1 2.68Å | ||
| 6 | D | 74.5 | Confident | 72.1 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | trans | -71.5 | 62.1 | 156.6 | -173 | 7.2 | 0 | 0 | 0 | 111 | S8 K9 | D6-S8 PolarHBondContact O-N 3.48Å; D6-S8 WeakPolarHBondContact OD1-CB 3.44Å; D6-S8 PolarHBondContact OD1-OG 3.24Å; D6-K9 PolarHBondContact O-N 2.86Å; D6-K9 WeakPolarHBondContact OD2-CD 3.34Å; D6-K9 WeakPolarHBondContact OD2-CE 3.34Å; D6-K9 IonicContact OD2-NZ 2.89Å; D6-K9 PolarHBondContact OD2-NZ 2.84Å | ||
| 7 | W | 81.2 | Confident | 73.2 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 27% | 0.269 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -62.9 | -12.6 | -178.5 | 61.4 | -97.6 | 0 | 0 | 0 | 113 | D5 K9 L10 K15 N22 A23 A26 | D5-W7 PolarHBondContact O-N 3.15Å; W7-K9 PolarHBondContact O-N 2.82Å; W7-L10 HydrophobicContact CB-CD1 3.94Å; W7-L10 WeakPolarHBondContact O-CB 3.24Å; W7-L10 PolarHBondContact O-N 3.4Å; W7-L10 VanDerWaalsContact O-N 3.09Å; W7-K15 VanDerWaalsContact O-CE 3.25Å; W7-K15 WeakPolarHBondContact O-CE 3.2Å; W7-N22 HydrophobicContact CZ2-CB 4.28Å; W7-A23 HydrophobicContact CB-CB 4.23Å; W7-A23 HydrophobicContact CD2-CB 3.54Å; W7-A23 HydrophobicContact CE3-CB 3.56Å; W7-A23 HydrophobicContact CG-CB 3.83Å; W7-A23 HydrophobicContact CZ3-CB 4.21Å; W7-A26 HydrophobicContact CH2-CB 3.94Å; W7-A26 HydrophobicContact CZ3-CB 3.59Å |
| 8 | S | 79.6 | Confident | 74.2 | Confident | 64 Ų | 64 | 88.2 Ų | 88.2 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -56.3 | -33.3 | 178.4 | 78.4 | 0 | 0 | 0 | 0 | 112.3 | D6 K15 | D6-S8 PolarHBondContact O-N 3.48Å; D6-S8 WeakPolarHBondContact OD1-CB 3.44Å; D6-S8 PolarHBondContact OD1-OG 3.24Å; S8-K15 VanDerWaalsContact O-CE 3.22Å; S8-K15 WeakPolarHBondContact O-CE 3.48Å; S8-K15 PolarHBondContact O-NZ 3.1Å |
| 9 | K | 82.4 | Confident | 74.8 | Confident | 167 Ų | 167 | 94.2 Ų | 94.2 | 73% | 0.726 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -86.4 | -5.9 | -178.9 | -68.4 | 168.2 | -177.1 | 152.4 | 0 | 114.5 | D6 W7 | D6-K9 PolarHBondContact O-N 2.86Å; D6-K9 WeakPolarHBondContact OD2-CD 3.34Å; D6-K9 WeakPolarHBondContact OD2-CE 3.34Å; D6-K9 IonicContact OD2-NZ 2.89Å; D6-K9 PolarHBondContact OD2-NZ 2.84Å; W7-K9 PolarHBondContact O-N 2.82Å |
| 10 | L | 85.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -69.5 | 146.4 | 179.6 | -68.8 | 175.2 | 0 | 0 | 0 | 111.7 | W7 K15 | W7-L10 HydrophobicContact CB-CD1 3.94Å; W7-L10 WeakPolarHBondContact O-CB 3.24Å; W7-L10 PolarHBondContact O-N 3.4Å; W7-L10 VanDerWaalsContact O-N 3.09Å; L10-K15 HydrophobicContact CB-CG 3.97Å; L10-K15 WeakPolarHBondContact O-CD 3.23Å; L10-K15 WeakPolarHBondContact O-CE 3.42Å; L10-K15 PolarHBondContact O-NZ 3.35Å |
| 11 | P | 87.6 | Confident | 76.2 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | trans | -59.6 | 149 | 169.8 | -23.4 | 34.1 | 0 | 0 | 0 | 112.1 | L13 S14 K15 | P11-L13 VanDerWaalsContact C-N 3.3Å; P11-L13 PolarHBondContact O-N 2.99Å; P11-S14 WeakPolarHBondContact O-CA 3.41Å; P11-S14 WeakPolarHBondContact O-CB 3.35Å; P11-S14 PolarHBondContact O-N 3.36Å; P11-K15 PolarHBondContact O-N 2.58Å | ||
| 12 | T | 88.5 | Confident | 78.8 | Confident | 26 Ų | 26 | 87.3 Ų | 87.3 | 16% | 0.16 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -53.5 | -42.6 | -176.3 | -51.8 | 0 | 0 | 0 | 0 | 113.3 | S14 K15 V16 G27 E30 A31 I34 | T12-S14 PolarHBondContact O-N 3.12Å; T12-K15 WeakPolarHBondContact O-CB 3.38Å; T12-K15 PolarHBondContact O-N 2.79Å; T12-K15 VanDerWaalsContact O-N 3.12Å; T12-V16 WeakPolarHBondContact O-CG2 3.18Å; T12-V16 PolarHBondContact O-N 3.02Å; T12-G27 WeakPolarHBondContact CG2-O 3.27Å; T12-E30 WeakPolarHBondContact CB-OE2 3.44Å; T12-E30 HydrophobicContact CG2-CB 3.51Å; T12-E30 PolarHBondContact OG1-OE2 3.17Å; T12-A31 HydrophobicContact CG2-CB 4.17Å; T12-I34 HydrophobicContact CG2-CD1 4.13Å |
| 13 | L | 89 | Confident | 81.4 | Confident | 55 Ų | 55 | 81.6 Ų | 81.6 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -24.6 | 177.2 | -164.5 | 71.2 | 0 | 0 | 0 | 113.7 | P11 Q17 E48 Y49 L52 | P11-L13 VanDerWaalsContact C-N 3.3Å; P11-L13 PolarHBondContact O-N 2.99Å; L13-Q17 PolarHBondContact O-NE2 3.47Å; L13-Q17 VanDerWaalsContact O-NE2 3.1Å; L13-E48 HydrophobicContact CD1-CB 4.35Å; L13-E48 HydrophobicContact CD2-CB 4.44Å; L13-Y49 HydrophobicContact CD1-CD1 3.79Å; L13-Y49 HydrophobicContact CD1-CD2 4.43Å; L13-Y49 HydrophobicContact CD1-CE1 3.61Å; L13-Y49 HydrophobicContact CD1-CE2 4.26Å; L13-Y49 HydrophobicContact CD1-CG 4.2Å; L13-L52 HydrophobicContact CD1-CD1 3.59Å; L13-L52 HydrophobicContact CG-CD1 4.48Å |
| 14 | S | 88.2 | Confident | 83.8 | Confident | 59 Ų | 59 | 77.2 Ų | 77.2 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -84.3 | -42.2 | 171.6 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | P11 T12 V16 Q17 H18 | P11-S14 WeakPolarHBondContact O-CA 3.41Å; P11-S14 WeakPolarHBondContact O-CB 3.35Å; P11-S14 PolarHBondContact O-N 3.36Å; T12-S14 PolarHBondContact O-N 3.12Å; S14-V16 PolarHBondContact O-N 3.13Å; S14-Q17 CarbonylContact O-C 3.53Å; S14-Q17 PolarHBondContact O-N 3.22Å; S14-Q17 VanDerWaalsContact O-N 3.11Å; S14-H18 PolarHBondContact O-N 3.1Å; S14-H18 VanDerWaalsContact O-N 3.15Å |
| 15 | K | 91.6 | Very high | 86 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 7% | 0.065 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.1 | -47.5 | 176.3 | -76.6 | 169.8 | 170.8 | 155.7 | 0 | 112.4 | W7 S8 L10 P11 T12 Q17 H18 A23 R24 E30 | W7-K15 VanDerWaalsContact O-CE 3.25Å; W7-K15 WeakPolarHBondContact O-CE 3.2Å; S8-K15 VanDerWaalsContact O-CE 3.22Å; S8-K15 WeakPolarHBondContact O-CE 3.48Å; S8-K15 PolarHBondContact O-NZ 3.1Å; L10-K15 HydrophobicContact CB-CG 3.97Å; L10-K15 WeakPolarHBondContact O-CD 3.23Å; L10-K15 WeakPolarHBondContact O-CE 3.42Å; L10-K15 PolarHBondContact O-NZ 3.35Å; P11-K15 PolarHBondContact O-N 2.58Å; T12-K15 WeakPolarHBondContact O-CB 3.38Å; T12-K15 PolarHBondContact O-N 2.79Å; T12-K15 VanDerWaalsContact O-N 3.12Å; K15-Q17 PolarHBondContact O-N 2.74Å; K15-Q17 VanDerWaalsContact O-N 3.12Å; K15-H18 VanDerWaalsContact O-CB 3.27Å; K15-H18 WeakPolarHBondContact O-CB 3.27Å; K15-H18 PolarHBondContact O-N 3.31Å; K15-A23 CarbonylContact O-C 3.44Å; K15-R24 WeakPolarHBondContact O-CA 3.44Å; K15-R24 WeakPolarHBondContact O-CG 3.25Å; K15-E30 WeakPolarHBondContact CD-OE1 3.45Å; K15-E30 VanDerWaalsContact CD-OE2 3.26Å; K15-E30 WeakPolarHBondContact CD-OE2 3.36Å; K15-E30 WeakPolarHBondContact CE-OE1 3.29Å; K15-E30 IonicContact NZ-OE1 3.4Å; K15-E30 PolarHBondContact NZ-OE1 3.41Å; K15-E30 IonicContact NZ-OE2 3.52Å; K15-E30 PolarHBondContact NZ-OE2 2.76Å |
| 16 | V | 91.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.5 | 178.7 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | T12 S14 R24 G27 Y28 A31 Y49 L52 F56 | T12-V16 WeakPolarHBondContact O-CG2 3.18Å; T12-V16 PolarHBondContact O-N 3.02Å; S14-V16 PolarHBondContact O-N 3.13Å; V16-R24 WeakPolarHBondContact O-CD 3.49Å; V16-G27 VanDerWaalsContact CG1-O 3.26Å; V16-G27 WeakPolarHBondContact CG1-O 3.42Å; V16-Y28 HydrophobicContact CB-CD1 4.09Å; V16-Y28 HydrophobicContact CB-CE1 3.73Å; V16-Y28 HydrophobicContact CG1-CD1 3.63Å; V16-Y28 HydrophobicContact CG1-CE1 3.82Å; V16-Y28 PolarHBondContact O-OH 2.9Å; V16-A31 HydrophobicContact CG1-CB 4.43Å; V16-Y49 HydrophobicContact CG2-CE1 4.32Å; V16-L52 HydrophobicContact CG2-CD1 4.07Å; V16-F56 HydrophobicContact CB-CE2 3.94Å; V16-F56 HydrophobicContact CB-CZ 3.86Å; V16-F56 HydrophobicContact CG1-CE2 4.45Å; V16-F56 HydrophobicContact CG1-CZ 3.88Å; V16-F56 HydrophobicContact CG2-CE2 3.97Å; V16-F56 HydrophobicContact CG2-CZ 3.98Å |
| 17 | Q | 89.8 | Confident | 88.6 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 2.2 | 176.1 | -62.8 | -171.9 | 87.4 | 0 | 0 | 113 | L13 S14 K15 L52 | L13-Q17 PolarHBondContact O-NE2 3.47Å; L13-Q17 VanDerWaalsContact O-NE2 3.1Å; S14-Q17 CarbonylContact O-C 3.53Å; S14-Q17 PolarHBondContact O-N 3.22Å; S14-Q17 VanDerWaalsContact O-N 3.11Å; K15-Q17 PolarHBondContact O-N 2.74Å; K15-Q17 VanDerWaalsContact O-N 3.12Å; Q17-L52 HydrophobicContact CG-CD1 4.13Å; Q17-L52 HydrophobicContact CG-CD2 4.11Å |
| 18 | H | 90.7 | Very high | 89.3 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | trans | -70.3 | 151.3 | -171.8 | -159.2 | -110.2 | 0 | 0 | 0 | 113.1 | D5 S14 K15 L20 A23 R24 | D5-H18 IonicContact OD2-CE1 2.68Å; S14-H18 PolarHBondContact O-N 3.1Å; S14-H18 VanDerWaalsContact O-N 3.15Å; K15-H18 VanDerWaalsContact O-CB 3.27Å; K15-H18 WeakPolarHBondContact O-CB 3.27Å; K15-H18 PolarHBondContact O-N 3.31Å; H18-L20 PolarHBondContact ND1-N 3.07Å; H18-A23 HydrophobicContact CB-CB 3.78Å; H18-R24 HydrophobicContact CB-CG 4.49Å; H18-R24 VanDerWaalsContact O-CD 3.3Å; H18-R24 WeakPolarHBondContact O-CD 3.35Å; H18-R24 VanDerWaalsContact O-CG 3.25Å; H18-R24 WeakPolarHBondContact O-CG 3.43Å; H18-R24 PolarHBondContact O-NH1 2.84Å | ||
| 19 | K | 86.7 | Confident | 89.9 | Confident | 201 Ų | 201 | 59.1 Ų | 59.1 | 87% | 0.874 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -64.5 | -44.4 | 179.2 | -67.5 | -179.7 | -177.8 | 174 | 0 | 111.7 | W21 R24 | K19-W21 PolarHBondContact O-N 3.41Å; K19-R24 PolarHBondContact O-NH1 2.86Å |
| 20 | L | 88.9 | Confident | 90.4 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 41% | 0.414 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -66.5 | 125 | 175.1 | -61.4 | 174 | 0 | 0 | 0 | 110.8 | H18 N22 A23 R24 | H18-L20 PolarHBondContact ND1-N 3.07Å; L20-N22 VanDerWaalsContact C-N 3.32Å; L20-N22 PolarHBondContact O-N 3.41Å; L20-A23 HydrophobicContact CB-CB 4.23Å; L20-A23 WeakPolarHBondContact O-CB 3.36Å; L20-A23 PolarHBondContact O-N 3.24Å; L20-R24 PolarHBondContact O-N 3.02Å |
| 21 | W | 89.6 | Confident | 90.7 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.2 | -30.1 | 179.8 | 70.1 | -94.9 | 0 | 0 | 0 | 113.1 | K19 A23 R24 V25 H61 | K19-W21 PolarHBondContact O-N 3.41Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.13Å; W21-R24 PolarHBondContact O-N 3.24Å; W21-V25 HydrophobicContact CE3-CG2 3.82Å; W21-V25 HydrophobicContact CZ3-CG2 4.05Å; W21-V25 WeakPolarHBondContact O-CG2 3.48Å; W21-V25 PolarHBondContact O-N 3.46Å; W21-H61 HydrophobicContact CB-CB 4.03Å; W21-H61 AromaticContact CD2-CE1 3.44Å; W21-H61 VanDerWaalsContact CD2-CE1 3.44Å; W21-H61 AromaticContact CD2-ND1 3.5Å; W21-H61 AromaticContact CE2-CE1 3.83Å; W21-H61 AromaticContact CE3-CE1 3.2Å; W21-H61 AromaticContact CE3-ND1 3.26Å; W21-H61 VanDerWaalsContact CE3-ND1 3.26Å; W21-H61 AromaticContact CG-CG 3.99Å; W21-H61 AromaticContact CG-ND1 3.85Å; W21-H61 AromaticContact CH2-CE1 3.77Å; W21-H61 AromaticContact CZ2-CE1 3.98Å; W21-H61 AromaticContact CZ3-CE1 3.38Å; W21-H61 WeakPolarHBondContact CZ3-CE1 3.39Å; W21-H61 AromaticContact CZ3-ND1 3.87Å |
| 22 | N | 88.4 | Confident | 90.9 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 172.9 | -76.8 | -23.5 | 0 | 0 | 0 | 111.7 | W7 L20 R24 V25 A26 | W7-N22 HydrophobicContact CZ2-CB 4.28Å; L20-N22 VanDerWaalsContact C-N 3.32Å; L20-N22 PolarHBondContact O-N 3.41Å; N22-R24 VanDerWaalsContact C-N 3.33Å; N22-R24 PolarHBondContact O-N 2.76Å; N22-V25 PolarHBondContact O-N 3.27Å; N22-A26 PolarHBondContact O-N 3.1Å |
| 23 | A | 89.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W7 K15 H18 L20 W21 G27 | W7-A23 HydrophobicContact CB-CB 4.23Å; W7-A23 HydrophobicContact CD2-CB 3.54Å; W7-A23 HydrophobicContact CE3-CB 3.56Å; W7-A23 HydrophobicContact CG-CB 3.83Å; W7-A23 HydrophobicContact CZ3-CB 4.21Å; K15-A23 CarbonylContact O-C 3.44Å; H18-A23 HydrophobicContact CB-CB 3.78Å; L20-A23 HydrophobicContact CB-CB 4.23Å; L20-A23 WeakPolarHBondContact O-CB 3.36Å; L20-A23 PolarHBondContact O-N 3.24Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.13Å; A23-G27 PolarHBondContact O-N 3.48Å |
| 24 | R | 94.3 | Very high | 91.1 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 172.7 | -63.5 | -159.5 | -56.1 | -77.7 | 2.9 | 112.7 | K15 V16 H18 K19 L20 W21 N22 A26 G27 Y28 D59 | K15-R24 WeakPolarHBondContact O-CA 3.44Å; K15-R24 WeakPolarHBondContact O-CG 3.25Å; V16-R24 WeakPolarHBondContact O-CD 3.49Å; H18-R24 HydrophobicContact CB-CG 4.49Å; H18-R24 VanDerWaalsContact O-CD 3.3Å; H18-R24 WeakPolarHBondContact O-CD 3.35Å; H18-R24 VanDerWaalsContact O-CG 3.25Å; H18-R24 WeakPolarHBondContact O-CG 3.43Å; H18-R24 PolarHBondContact O-NH1 2.84Å; K19-R24 PolarHBondContact O-NH1 2.86Å; L20-R24 PolarHBondContact O-N 3.02Å; W21-R24 PolarHBondContact O-N 3.24Å; N22-R24 VanDerWaalsContact C-N 3.33Å; N22-R24 PolarHBondContact O-N 2.76Å; R24-A26 PolarHBondContact O-N 2.97Å; R24-G27 CarbonylContact O-C 3.32Å; R24-G27 PolarHBondContact O-N 2.85Å; R24-Y28 HydrophobicContact CB-CD2 4.36Å; R24-Y28 HydrophobicContact CB-CE2 3.81Å; R24-Y28 WeakPolarHBondContact O-CD2 3.37Å; R24-Y28 PolarHBondContact O-N 3.01Å; R24-D59 IonicContact CZ-OD1 2.69Å; R24-D59 IonicContact CZ-OD2 2.61Å; R24-D59 IonicContact NE-OD1 2.86Å; R24-D59 IonicContact NE-OD2 2.6Å; R24-D59 PolarHBondContact NE-OD2 2.79Å; R24-D59 IonicContact NH2-OD1 3.19Å; R24-D59 PolarHBondContact NH2-OD1 2.9Å; R24-D59 IonicContact NH2-OD2 3.78Å; R24-D59 PolarHBondContact NH2-OD2 2.91Å |
| 25 | V | 92.5 | Very high | 91.3 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56 | -51.7 | 174.2 | 166 | 0 | 0 | 0 | 0 | 110.8 | W21 N22 G27 Y28 E29 A64 K67 | W21-V25 HydrophobicContact CE3-CG2 3.82Å; W21-V25 HydrophobicContact CZ3-CG2 4.05Å; W21-V25 WeakPolarHBondContact O-CG2 3.48Å; W21-V25 PolarHBondContact O-N 3.46Å; N22-V25 PolarHBondContact O-N 3.27Å; V25-G27 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 2.88Å; V25-Y28 PolarHBondContact O-N 3.47Å; V25-Y28 VanDerWaalsContact O-N 3.17Å; V25-E29 PolarHBondContact O-N 3.01Å; V25-A64 HydrophobicContact CG2-CB 3.85Å; V25-K67 HydrophobicContact CG1-CG 4.45Å |
| 26 | A | 91 | Very high | 91.1 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W7 N22 R24 Y28 E29 E30 | W7-A26 HydrophobicContact CH2-CB 3.94Å; W7-A26 HydrophobicContact CZ3-CB 3.59Å; N22-A26 PolarHBondContact O-N 3.1Å; R24-A26 PolarHBondContact O-N 2.97Å; A26-Y28 VanDerWaalsContact C-N 3.32Å; A26-Y28 PolarHBondContact O-N 3.32Å; A26-E29 PolarHBondContact O-N 3.32Å; A26-E30 WeakPolarHBondContact O-CB 3.21Å; A26-E30 WeakPolarHBondContact O-CG 3.27Å; A26-E30 PolarHBondContact O-N 3.12Å |
| 27 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T12 V16 A23 R24 V25 A31 | T12-G27 WeakPolarHBondContact CG2-O 3.27Å; V16-G27 VanDerWaalsContact CG1-O 3.26Å; V16-G27 WeakPolarHBondContact CG1-O 3.42Å; A23-G27 PolarHBondContact O-N 3.48Å; R24-G27 CarbonylContact O-C 3.32Å; R24-G27 PolarHBondContact O-N 2.85Å; V25-G27 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 2.88Å; G27-A31 VanDerWaalsContact O-CB 3.23Å; G27-A31 WeakPolarHBondContact O-CB 3.25Å; G27-A31 PolarHBondContact O-N 3.47Å |
| 28 | Y | 96.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.5 | -33.8 | 176.2 | -63.4 | -40.4 | 0 | 0 | 0 | 112 | V16 R24 V25 A26 F32 F56 D59 A64 A68 | V16-Y28 HydrophobicContact CB-CD1 4.09Å; V16-Y28 HydrophobicContact CB-CE1 3.73Å; V16-Y28 HydrophobicContact CG1-CD1 3.63Å; V16-Y28 HydrophobicContact CG1-CE1 3.82Å; V16-Y28 PolarHBondContact O-OH 2.9Å; R24-Y28 HydrophobicContact CB-CD2 4.36Å; R24-Y28 HydrophobicContact CB-CE2 3.81Å; R24-Y28 WeakPolarHBondContact O-CD2 3.37Å; R24-Y28 PolarHBondContact O-N 3.01Å; V25-Y28 PolarHBondContact O-N 3.47Å; V25-Y28 VanDerWaalsContact O-N 3.17Å; A26-Y28 VanDerWaalsContact C-N 3.32Å; A26-Y28 PolarHBondContact O-N 3.32Å; Y28-F32 VanDerWaalsContact O-CB 3.24Å; Y28-F32 WeakPolarHBondContact O-CB 3.46Å; Y28-F32 PolarHBondContact O-N 3.24Å; Y28-F56 AromaticContact CD1-CD1 3.75Å; Y28-F56 HydrophobicContact CD1-CD1 3.75Å; Y28-F56 AromaticContact CD1-CE1 3.54Å; Y28-F56 HydrophobicContact CD1-CE1 3.54Å; Y28-F56 HydrophobicContact CD1-CE2 4.33Å; Y28-F56 HydrophobicContact CD1-CG 4.25Å; Y28-F56 AromaticContact CD1-CZ 3.86Å; Y28-F56 HydrophobicContact CD1-CZ 3.86Å; Y28-F56 AromaticContact CE1-CD1 3.65Å; Y28-F56 HydrophobicContact CE1-CD1 3.65Å; Y28-F56 AromaticContact CE1-CD2 3.66Å; Y28-F56 HydrophobicContact CE1-CD2 3.66Å; Y28-F56 AromaticContact CE1-CE1 3.65Å; Y28-F56 HydrophobicContact CE1-CE1 3.65Å; Y28-F56 AromaticContact CE1-CE2 3.65Å; Y28-F56 HydrophobicContact CE1-CE2 3.65Å; Y28-F56 AromaticContact CE1-CG 3.66Å; Y28-F56 HydrophobicContact CE1-CG 3.66Å; Y28-F56 AromaticContact CE1-CZ 3.65Å; Y28-F56 HydrophobicContact CE1-CZ 3.65Å; Y28-D59 WeakPolarHBondContact CE2-OD2 3.45Å; Y28-D59 PolarHBondContact OH-OD2 3.03Å; Y28-A64 HydrophobicContact CD2-CB 4.39Å; Y28-A64 WeakPolarHBondContact CD2-O 3.26Å; Y28-A64 HydrophobicContact CE2-CB 4.06Å; Y28-A68 HydrophobicContact CD1-CB 4.07Å; Y28-A68 HydrophobicContact CD2-CB 3.72Å; Y28-A68 HydrophobicContact CE1-CB 4.05Å; Y28-A68 HydrophobicContact CE2-CB 3.68Å; Y28-A68 HydrophobicContact CG-CB 3.95Å |
| 29 | E | 92.9 | Very high | 89.7 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.4 | -34.8 | 172.6 | -69.1 | -174.1 | 158.2 | 0 | 0 | 112.8 | V25 A26 K33 K67 | V25-E29 PolarHBondContact O-N 3.01Å; A26-E29 PolarHBondContact O-N 3.32Å; E29-K33 VanDerWaalsContact O-CG 3.3Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 2.72Å; E29-K67 HydrophobicContact CG-CD 3.92Å; E29-K67 WeakPolarHBondContact OE1-CE 3.29Å; E29-K67 IonicContact OE1-NZ 3.49Å; E29-K67 PolarHBondContact OE1-NZ 3.49Å |
| 30 | E | 92 | Very high | 89.3 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 168.7 | -73.9 | 171.7 | -162.1 | 0 | 0 | 111.2 | T12 K15 A26 F32 K33 I34 | T12-E30 WeakPolarHBondContact CB-OE2 3.44Å; T12-E30 HydrophobicContact CG2-CB 3.51Å; T12-E30 PolarHBondContact OG1-OE2 3.17Å; K15-E30 WeakPolarHBondContact CD-OE1 3.45Å; K15-E30 VanDerWaalsContact CD-OE2 3.26Å; K15-E30 WeakPolarHBondContact CD-OE2 3.36Å; K15-E30 WeakPolarHBondContact CE-OE1 3.29Å; K15-E30 IonicContact NZ-OE1 3.4Å; K15-E30 PolarHBondContact NZ-OE1 3.41Å; K15-E30 IonicContact NZ-OE2 3.52Å; K15-E30 PolarHBondContact NZ-OE2 2.76Å; A26-E30 WeakPolarHBondContact O-CB 3.21Å; A26-E30 WeakPolarHBondContact O-CG 3.27Å; A26-E30 PolarHBondContact O-N 3.12Å; E30-F32 PolarHBondContact O-N 3.41Å; E30-K33 WeakPolarHBondContact O-CB 3.43Å; E30-K33 PolarHBondContact O-N 3.15Å; E30-I34 WeakPolarHBondContact O-CG1 3.44Å; E30-I34 PolarHBondContact O-N 3.46Å |
| 31 | A | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T12 V16 G27 K33 I34 F35 Y49 F56 A71 | T12-A31 HydrophobicContact CG2-CB 4.17Å; V16-A31 HydrophobicContact CG1-CB 4.43Å; G27-A31 VanDerWaalsContact O-CB 3.23Å; G27-A31 WeakPolarHBondContact O-CB 3.25Å; G27-A31 PolarHBondContact O-N 3.47Å; A31-K33 PolarHBondContact O-N 3.36Å; A31-I34 PolarHBondContact O-N 3Å; A31-F35 HydrophobicContact CB-CE2 3.88Å; A31-F35 HydrophobicContact CB-CZ 4.05Å; A31-F35 WeakPolarHBondContact O-CD2 3.49Å; A31-F35 WeakPolarHBondContact O-CG 3.37Å; A31-F35 PolarHBondContact O-N 3.44Å; A31-Y49 HydrophobicContact CB-CE1 4.36Å; A31-F56 HydrophobicContact CB-CE1 4.49Å; A31-A71 HydrophobicContact CB-CB 4.39Å |
| 32 | F | 92.7 | Very high | 88.3 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 37% | 0.373 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.5 | -49.4 | 172.2 | 172.4 | -104.5 | 0 | 0 | 0 | 111.4 | Y28 E30 I34 F35 S36 D70 A71 A74 | Y28-F32 VanDerWaalsContact O-CB 3.24Å; Y28-F32 WeakPolarHBondContact O-CB 3.46Å; Y28-F32 PolarHBondContact O-N 3.24Å; E30-F32 PolarHBondContact O-N 3.41Å; F32-I34 PolarHBondContact O-N 3.04Å; F32-F35 PolarHBondContact O-N 2.85Å; F32-S36 WeakPolarHBondContact O-CB 3.31Å; F32-S36 PolarHBondContact O-N 2.99Å; F32-S36 PolarHBondContact O-OG 3.44Å; F32-D70 HydrophobicContact CD2-CB 3.92Å; F32-D70 WeakPolarHBondContact CD2-O 3.48Å; F32-D70 HydrophobicContact CE2-CB 4.24Å; F32-D70 HydrophobicContact CG-CB 4.43Å; F32-A71 HydrophobicContact CB-CB 4.11Å; F32-A74 HydrophobicContact CD2-CB 3.78Å; F32-A74 HydrophobicContact CE2-CB 3.94Å |
| 33 | K | 91.1 | Very high | 88.1 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 59% | 0.587 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -56.9 | -49.2 | 176 | -73.9 | 168.3 | -177.1 | 173.7 | 0 | 111.5 | E29 E30 A31 F35 S36 T37 | E29-K33 VanDerWaalsContact O-CG 3.3Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 2.72Å; E30-K33 WeakPolarHBondContact O-CB 3.43Å; E30-K33 PolarHBondContact O-N 3.15Å; A31-K33 PolarHBondContact O-N 3.36Å; K33-F35 PolarHBondContact O-N 2.97Å; K33-S36 PolarHBondContact O-N 3.46Å; K33-T37 WeakPolarHBondContact O-CG2 3.11Å; K33-T37 PolarHBondContact O-N 3.19Å; K33-T37 PolarHBondContact O-OG1 2.84Å |
| 34 | I | 89.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.5 | -51.3 | 177.7 | -68.5 | 165.1 | 0 | 0 | 0 | 110.7 | T12 E30 A31 F32 S36 T37 E38 V45 | T12-I34 HydrophobicContact CG2-CD1 4.13Å; E30-I34 WeakPolarHBondContact O-CG1 3.44Å; E30-I34 PolarHBondContact O-N 3.46Å; A31-I34 PolarHBondContact O-N 3Å; F32-I34 PolarHBondContact O-N 3.04Å; I34-S36 VanDerWaalsContact C-N 3.32Å; I34-S36 PolarHBondContact O-N 3.07Å; I34-T37 PolarHBondContact O-N 3.39Å; I34-T37 PolarHBondContact O-OG1 3.15Å; I34-T37 VanDerWaalsContact O-OG1 3.11Å; I34-E38 WeakPolarHBondContact O-CB 3.31Å; I34-E38 PolarHBondContact O-N 3.34Å; I34-E38 VanDerWaalsContact O-N 3.13Å; I34-V45 HydrophobicContact CG2-CG1 3.82Å |
| 35 | F | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -28.1 | -177.1 | -53.8 | -31.6 | 0 | 0 | 0 | 113.6 | A31 F32 K33 F46 Y49 M53 A71 A74 Y75 T78 | A31-F35 HydrophobicContact CB-CE2 3.88Å; A31-F35 HydrophobicContact CB-CZ 4.05Å; A31-F35 WeakPolarHBondContact O-CD2 3.49Å; A31-F35 WeakPolarHBondContact O-CG 3.37Å; A31-F35 PolarHBondContact O-N 3.44Å; F32-F35 PolarHBondContact O-N 2.85Å; K33-F35 PolarHBondContact O-N 2.97Å; F35-F46 HydrophobicContact CB-CE1 4.13Å; F35-F46 AromaticContact CD1-CD1 3.84Å; F35-F46 HydrophobicContact CD1-CD1 3.84Å; F35-F46 AromaticContact CD1-CE1 3.69Å; F35-F46 HydrophobicContact CD1-CE1 3.69Å; F35-F46 HydrophobicContact CE1-CD1 4.28Å; F35-F46 HydrophobicContact CG-CE1 4.22Å; F35-Y49 AromaticContact CE1-CD2 3.74Å; F35-Y49 HydrophobicContact CE1-CD2 3.74Å; F35-Y49 HydrophobicContact CE1-CE2 4.02Å; F35-Y49 HydrophobicContact CE1-CG 4.05Å; F35-Y49 AromaticContact CZ-CD1 3.89Å; F35-Y49 HydrophobicContact CZ-CD1 3.89Å; F35-Y49 AromaticContact CZ-CD2 3.84Å; F35-Y49 HydrophobicContact CZ-CD2 3.84Å; F35-Y49 HydrophobicContact CZ-CE1 4.27Å; F35-Y49 HydrophobicContact CZ-CE2 4.25Å; F35-Y49 AromaticContact CZ-CG 3.66Å; F35-Y49 HydrophobicContact CZ-CG 3.66Å; F35-M53 HydrophobicContact CE2-CE 4.29Å; F35-M53 HydrophobicContact CZ-CE 4.28Å; F35-A71 HydrophobicContact CD2-CB 4.28Å; F35-A71 VanDerWaalsContact CD2-O 3.25Å; F35-A71 WeakPolarHBondContact CD2-O 3.47Å; F35-A71 HydrophobicContact CE2-CB 4.18Å; F35-A74 HydrophobicContact CB-CB 4.04Å; F35-Y75 AromaticContact CD1-CD2 3.94Å; F35-Y75 HydrophobicContact CD1-CD2 3.94Å; F35-Y75 HydrophobicContact CD2-CD2 4.11Å; F35-Y75 HydrophobicContact CD2-CG 4.45Å; F35-Y75 AromaticContact CE1-CD2 3.77Å; F35-Y75 HydrophobicContact CE1-CD2 3.77Å; F35-Y75 HydrophobicContact CE1-CE2 4.29Å; F35-Y75 AromaticContact CE2-CD2 3.92Å; F35-Y75 HydrophobicContact CE2-CD2 3.92Å; F35-Y75 HydrophobicContact CE2-CG 4.41Å; F35-Y75 HydrophobicContact CG-CD2 4.12Å; F35-Y75 AromaticContact CZ-CD2 3.75Å; F35-Y75 HydrophobicContact CZ-CD2 3.75Å; F35-Y75 HydrophobicContact CZ-CE2 4.4Å; F35-T78 WeakPolarHBondContact O-CG2 3.27Å; F35-T78 PolarHBondContact O-OG1 2.91Å |
| 36 | S | 87.3 | Confident | 87.2 | Confident | 66 Ų | 66 | 58 Ų | 58 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -82.6 | -24.4 | 174.7 | -63.3 | 0 | 0 | 0 | 0 | 114.1 | F32 K33 I34 | F32-S36 WeakPolarHBondContact O-CB 3.31Å; F32-S36 PolarHBondContact O-N 2.99Å; F32-S36 PolarHBondContact O-OG 3.44Å; K33-S36 PolarHBondContact O-N 3.46Å; I34-S36 VanDerWaalsContact C-N 3.32Å; I34-S36 PolarHBondContact O-N 3.07Å |
| 37 | T | 84.7 | Confident | 87 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -86.1 | -23.3 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | K33 I34 T39 | K33-T37 WeakPolarHBondContact O-CG2 3.11Å; K33-T37 PolarHBondContact O-N 3.19Å; K33-T37 PolarHBondContact O-OG1 2.84Å; I34-T37 PolarHBondContact O-N 3.39Å; I34-T37 PolarHBondContact O-OG1 3.15Å; I34-T37 VanDerWaalsContact O-OG1 3.11Å; T37-T39 PolarHBondContact O-N 2.88Å; T37-T39 VanDerWaalsContact O-N 3.16Å |
| 38 | E | 81.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | trans | -80.8 | 99.1 | -170.2 | -166.1 | 70.4 | 177.4 | 0 | 0 | 112.3 | I34 S40 S43 F46 | I34-E38 WeakPolarHBondContact O-CB 3.31Å; I34-E38 PolarHBondContact O-N 3.34Å; I34-E38 VanDerWaalsContact O-N 3.13Å; E38-S40 VanDerWaalsContact C-N 3.33Å; E38-S40 PolarHBondContact O-N 3.2Å; E38-S43 WeakPolarHBondContact OE1-CB 3.45Å; E38-S43 PolarHBondContact OE1-OG 2.77Å; E38-F46 HydrophobicContact CB-CE2 4.14Å; E38-F46 HydrophobicContact CB-CZ 3.79Å; E38-F46 HydrophobicContact CG-CE2 3.77Å; E38-F46 HydrophobicContact CG-CZ 3.95Å | ||
| 39 | T | 77.7 | Confident | 86.5 | Confident | 146 Ų | 146 | 65.8 Ų | 65.8 | 90% | 0.896 | 36% | 0.355 | S | S | * | . | trans | -70.4 | -23.5 | -174.7 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | T37 | T37-T39 PolarHBondContact O-N 2.88Å; T37-T39 VanDerWaalsContact O-N 3.16Å | ||
| 40 | S | 78.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | trans | -95.5 | 101 | 179 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | E38 K42 S43 F46 | E38-S40 VanDerWaalsContact C-N 3.33Å; E38-S40 PolarHBondContact O-N 3.2Å; S40-K42 PolarHBondContact O-N 3.42Å; S40-S43 VanDerWaalsContact O-CB 3.25Å; S40-S43 WeakPolarHBondContact O-CB 3.31Å; S40-S43 PolarHBondContact O-N 3.4Å; S40-F46 WeakPolarHBondContact O-CE2 3.4Å | ||
| 41 | G | 77.3 | Confident | 86 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 25% | 0.247 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -6.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T78 A80 | G41-T78 WeakPolarHBondContact CA-O 3.5Å; G41-A80 VanDerWaalsContact O-CB 3.23Å; G41-A80 WeakPolarHBondContact O-CB 3.24Å; G41-A80 PolarHBondContact O-N 3.34Å |
| 42 | K | 80.1 | Confident | 86 | Confident | 184 Ų | 184 | 65 Ų | 65 | 80% | 0.8 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 4.3 | 171.8 | -69 | -175.6 | 178.9 | 177.7 | 0 | 113.8 | S40 | S40-K42 PolarHBondContact O-N 3.42Š|
| 43 | S | 83.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | trans | -52.1 | 136.9 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | E38 S40 V45 F46 | E38-S43 WeakPolarHBondContact OE1-CB 3.45Å; E38-S43 PolarHBondContact OE1-OG 2.77Å; S40-S43 VanDerWaalsContact O-CB 3.25Å; S40-S43 WeakPolarHBondContact O-CB 3.31Å; S40-S43 PolarHBondContact O-N 3.4Å; S43-V45 PolarHBondContact O-N 3.32Å; S43-F46 PolarHBondContact O-N 3.32Å | ||
| 44 | P | 82.6 | Confident | 85.9 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.8 | -179.9 | 23.8 | -33.9 | 0 | 0 | 0 | 112.1 | F46 N47 | P44-F46 PolarHBondContact O-N 2.79Å; P44-F46 VanDerWaalsContact O-N 3.14Å; P44-N47 WeakPolarHBondContact O-CB 3.36Å; P44-N47 PolarHBondContact O-N 3.35Å; P44-N47 PolarHBondContact O-ND2 2.78Å |
| 45 | V | 86.3 | Confident | 85.9 | Confident | 43 Ų | 43 | 62 Ų | 62 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -50.9 | -40.2 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | I34 S43 N47 E48 Y49 | I34-V45 HydrophobicContact CG2-CG1 3.82Å; S43-V45 PolarHBondContact O-N 3.32Å; V45-N47 PolarHBondContact O-N 2.89Å; V45-E48 WeakPolarHBondContact O-CB 3.24Å; V45-E48 PolarHBondContact O-N 2.92Å; V45-Y49 HydrophobicContact CG1-CE2 4.1Å; V45-Y49 WeakPolarHBondContact O-CD2 3.02Å |
| 46 | F | 89.6 | Confident | 86 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -27.8 | 179.2 | -68.8 | -58.5 | 0 | 0 | 0 | 113.5 | F35 E38 S40 S43 P44 Y75 T78 A79 A81 | F35-F46 HydrophobicContact CB-CE1 4.13Å; F35-F46 AromaticContact CD1-CD1 3.84Å; F35-F46 HydrophobicContact CD1-CD1 3.84Å; F35-F46 AromaticContact CD1-CE1 3.69Å; F35-F46 HydrophobicContact CD1-CE1 3.69Å; F35-F46 HydrophobicContact CE1-CD1 4.28Å; F35-F46 HydrophobicContact CG-CE1 4.22Å; E38-F46 HydrophobicContact CB-CE2 4.14Å; E38-F46 HydrophobicContact CB-CZ 3.79Å; E38-F46 HydrophobicContact CG-CE2 3.77Å; E38-F46 HydrophobicContact CG-CZ 3.95Å; S40-F46 WeakPolarHBondContact O-CE2 3.4Å; S43-F46 PolarHBondContact O-N 3.32Å; P44-F46 PolarHBondContact O-N 2.79Å; P44-F46 VanDerWaalsContact O-N 3.14Å; F46-Y75 HydrophobicContact CB-CE2 3.95Å; F46-Y75 AromaticContact CD1-CD2 3.74Å; F46-Y75 HydrophobicContact CD1-CD2 3.74Å; F46-Y75 AromaticContact CD1-CE2 3.67Å; F46-Y75 HydrophobicContact CD1-CE2 3.67Å; F46-Y75 HydrophobicContact CE1-CD2 4.34Å; F46-Y75 HydrophobicContact CG-CE2 4.27Å; F46-Y75 WeakPolarHBondContact O-CE2 3.41Å; F46-Y75 PolarHBondContact O-OH 3.09Å; F46-T78 WeakPolarHBondContact CE1-OG1 3.5Å; F46-T78 VanDerWaalsContact CZ-OG1 3.28Å; F46-T78 WeakPolarHBondContact CZ-OG1 3.41Å; F46-A79 HydrophobicContact CB-CB 3.91Å; F46-A79 HydrophobicContact CD1-CB 3.44Å; F46-A79 VanDerWaalsContact CD1-CB 3.44Å; F46-A79 HydrophobicContact CD2-CB 4.03Å; F46-A79 HydrophobicContact CE1-CB 3.82Å; F46-A79 HydrophobicContact CE2-CB 4.39Å; F46-A79 HydrophobicContact CG-CB 3.54Å; F46-A79 HydrophobicContact CZ-CB 4.28Å; F46-A81 HydrophobicContact CB-CB 4.43Å |
| 47 | N | 87 | Confident | 86.3 | Confident | 72 Ų | 72 | 59 Ų | 59 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.8 | -27.7 | -178.9 | -64.5 | -85.3 | 0 | 0 | 0 | 112.3 | P44 V45 Y49 V50 K84 | P44-N47 WeakPolarHBondContact O-CB 3.36Å; P44-N47 PolarHBondContact O-N 3.35Å; P44-N47 PolarHBondContact O-ND2 2.78Å; V45-N47 PolarHBondContact O-N 2.89Å; N47-Y49 VanDerWaalsContact C-N 3.26Å; N47-Y49 PolarHBondContact O-N 3.17Å; N47-V50 WeakPolarHBondContact O-CG2 3.22Å; N47-V50 PolarHBondContact O-N 3.36Å; N47-K84 PolarHBondContact OD1-NZ 3.45Å |
| 48 | E | 88.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 56.6 Ų | 56.6 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -33.5 | 179.6 | -59.8 | 179.9 | -170.4 | 0 | 0 | 112.6 | L13 V45 | L13-E48 HydrophobicContact CD1-CB 4.35Å; L13-E48 HydrophobicContact CD2-CB 4.44Å; V45-E48 WeakPolarHBondContact O-CB 3.24Å; V45-E48 PolarHBondContact O-N 2.92Å |
| 49 | Y | 91.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.9 | -175.7 | -63.8 | -94.1 | 0 | 0 | 0 | 114.2 | L13 V16 A31 F35 V45 N47 G51 L52 M53 F56 | L13-Y49 HydrophobicContact CD1-CD1 3.79Å; L13-Y49 HydrophobicContact CD1-CD2 4.43Å; L13-Y49 HydrophobicContact CD1-CE1 3.61Å; L13-Y49 HydrophobicContact CD1-CE2 4.26Å; L13-Y49 HydrophobicContact CD1-CG 4.2Å; V16-Y49 HydrophobicContact CG2-CE1 4.32Å; A31-Y49 HydrophobicContact CB-CE1 4.36Å; F35-Y49 AromaticContact CE1-CD2 3.74Å; F35-Y49 HydrophobicContact CE1-CD2 3.74Å; F35-Y49 HydrophobicContact CE1-CE2 4.02Å; F35-Y49 HydrophobicContact CE1-CG 4.05Å; F35-Y49 AromaticContact CZ-CD1 3.89Å; F35-Y49 HydrophobicContact CZ-CD1 3.89Å; F35-Y49 AromaticContact CZ-CD2 3.84Å; F35-Y49 HydrophobicContact CZ-CD2 3.84Å; F35-Y49 HydrophobicContact CZ-CE1 4.27Å; F35-Y49 HydrophobicContact CZ-CE2 4.25Å; F35-Y49 AromaticContact CZ-CG 3.66Å; F35-Y49 HydrophobicContact CZ-CG 3.66Å; V45-Y49 HydrophobicContact CG1-CE2 4.1Å; V45-Y49 WeakPolarHBondContact O-CD2 3.02Å; N47-Y49 VanDerWaalsContact C-N 3.26Å; N47-Y49 PolarHBondContact O-N 3.17Å; Y49-G51 PolarHBondContact O-N 3.48Å; Y49-L52 HydrophobicContact CD1-CD1 4.35Å; Y49-L52 WeakPolarHBondContact O-CB 3.34Å; Y49-L52 PolarHBondContact O-N 3.36Å; Y49-M53 PolarHBondContact O-N 2.85Å; Y49-F56 AromaticContact CD1-CZ 3.95Å; Y49-F56 HydrophobicContact CD1-CZ 3.95Å; Y49-F56 HydrophobicContact CE1-CZ 4.46Å |
| 50 | V | 87.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -52.8 | -50.6 | -175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | N47 L52 M53 Y75 A81 K84 C85 | N47-V50 WeakPolarHBondContact O-CG2 3.22Å; N47-V50 PolarHBondContact O-N 3.36Å; V50-L52 PolarHBondContact O-N 2.91Å; V50-M53 PolarHBondContact O-N 3.31Å; V50-Y75 WeakPolarHBondContact CG2-OH 3.48Å; V50-A81 HydrophobicContact CG2-CB 4.1Å; V50-K84 HydrophobicContact CG1-CB 4.36Å; V50-C85 HydrophobicContact CG1-CB 4.11Å |
| 51 | G | 86.2 | Confident | 88.2 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -72.8 | -2.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y49 | Y49-G51 PolarHBondContact O-N 3.48Š|
| 52 | L | 90.9 | Very high | 88.6 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -102.9 | -17.9 | 178.7 | -56.7 | -177.7 | 0 | 0 | 0 | 113.1 | L13 V16 Q17 Y49 V50 K54 K55 F56 | L13-L52 HydrophobicContact CD1-CD1 3.59Å; L13-L52 HydrophobicContact CG-CD1 4.48Å; V16-L52 HydrophobicContact CG2-CD1 4.07Å; Q17-L52 HydrophobicContact CG-CD1 4.13Å; Q17-L52 HydrophobicContact CG-CD2 4.11Å; Y49-L52 HydrophobicContact CD1-CD1 4.35Å; Y49-L52 WeakPolarHBondContact O-CB 3.34Å; Y49-L52 PolarHBondContact O-N 3.36Å; V50-L52 PolarHBondContact O-N 2.91Å; L52-K54 VanDerWaalsContact C-N 3.25Å; L52-K54 PolarHBondContact O-N 3.12Å; L52-K54 VanDerWaalsContact O-N 3.14Å; L52-K55 HydrophobicContact CD2-CD 4.24Å; L52-K55 WeakPolarHBondContact O-CA 3.36Å; L52-K55 WeakPolarHBondContact O-CB 3.18Å; L52-K55 PolarHBondContact O-N 2.81Å; L52-F56 HydrophobicContact CB-CD2 4.01Å; L52-F56 HydrophobicContact CB-CE2 3.67Å; L52-F56 HydrophobicContact CD1-CE2 4.35Å; L52-F56 VanDerWaalsContact O-CD2 3.27Å; L52-F56 WeakPolarHBondContact O-CD2 3.31Å; L52-F56 PolarHBondContact O-N 3.15Å |
| 53 | M | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.4 | -38 | -174.5 | -70 | -66.6 | 149.9 | 0 | 0 | 113.5 | F35 Y49 V50 K55 F56 V57 V72 Y75 C85 I89 | F35-M53 HydrophobicContact CE2-CE 4.29Å; F35-M53 HydrophobicContact CZ-CE 4.28Å; Y49-M53 PolarHBondContact O-N 2.85Å; V50-M53 PolarHBondContact O-N 3.31Å; M53-K55 VanDerWaalsContact C-N 3.33Å; M53-K55 PolarHBondContact O-N 3.43Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.49Å; M53-V57 PolarHBondContact O-N 3.35Å; M53-V72 HydrophobicContact SD-CG2 3.83Å; M53-Y75 HydrophobicContact CE-CD1 3.64Å; M53-Y75 HydrophobicContact CE-CD2 3.42Å; M53-Y75 VanDerWaalsContact CE-CD2 3.42Å; M53-Y75 HydrophobicContact CE-CE1 3.86Å; M53-Y75 HydrophobicContact CE-CE2 3.63Å; M53-Y75 HydrophobicContact CE-CG 3.42Å; M53-Y75 VanDerWaalsContact CE-CG 3.42Å; M53-Y75 HydrophobicContact CG-CE1 4.33Å; M53-Y75 HydrophobicContact SD-CD1 3.91Å; M53-Y75 HydrophobicContact SD-CE1 4.28Å; M53-Y75 HydrophobicContact SD-CG 4.13Å; M53-C85 HydrophobicContact CB-CB 4.2Å; M53-C85 HydrophobicContact CG-CB 4.29Å; M53-I89 HydrophobicContact CB-CD1 4.14Å; M53-I89 HydrophobicContact CB-CG1 3.86Å; M53-I89 HydrophobicContact CG-CD1 4.31Å |
| 54 | K | 90.5 | Very high | 89.2 | Confident | 90 Ų | 90 | 44 Ų | 44 | 39% | 0.391 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 174.1 | -152.7 | 173 | -155.9 | 144.5 | 0 | 112.6 | L52 T58 D88 | L52-K54 VanDerWaalsContact C-N 3.25Å; L52-K54 PolarHBondContact O-N 3.12Å; L52-K54 VanDerWaalsContact O-N 3.14Å; K54-T58 WeakPolarHBondContact O-CB 3.19Å; K54-T58 WeakPolarHBondContact O-CG2 3.2Å; K54-T58 PolarHBondContact O-N 3.23Å; K54-T58 VanDerWaalsContact O-N 3.16Å; K54-T58 PolarHBondContact O-OG1 3.47Å; K54-D88 HydrophobicContact CB-CB 3.92Å; K54-D88 HydrophobicContact CD-CB 4.16Å; K54-D88 VanDerWaalsContact CD-OD1 3.29Å; K54-D88 WeakPolarHBondContact CD-OD1 3.3Å; K54-D88 VanDerWaalsContact CE-OD1 3.31Å; K54-D88 WeakPolarHBondContact CE-OD1 3.31Å; K54-D88 HydrophobicContact CG-CB 4.03Å; K54-D88 IonicContact NZ-OD1 3.27Å; K54-D88 PolarHBondContact NZ-OD1 3.33Å |
| 55 | K | 89.9 | Confident | 89.7 | Confident | 115 Ų | 115 | 39.8 Ų | 39.8 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.9 | -35.6 | 178.8 | -62.1 | 177.3 | -178.5 | 172.7 | 0 | 111.6 | L52 M53 T58 D59 | L52-K55 HydrophobicContact CD2-CD 4.24Å; L52-K55 WeakPolarHBondContact O-CA 3.36Å; L52-K55 WeakPolarHBondContact O-CB 3.18Å; L52-K55 PolarHBondContact O-N 2.81Å; M53-K55 VanDerWaalsContact C-N 3.33Å; M53-K55 PolarHBondContact O-N 3.43Å; K55-T58 CarbonylContact O-C 3.58Å; K55-T58 PolarHBondContact O-N 2.82Å; K55-D59 PolarHBondContact O-N 3.42Å |
| 56 | F | 93.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -56.6 | 177 | -81.7 | -137.3 | 0 | 0 | 0 | 110.3 | V16 Y28 A31 Y49 L52 M53 T58 D59 A68 A71 V72 | V16-F56 HydrophobicContact CB-CE2 3.94Å; V16-F56 HydrophobicContact CB-CZ 3.86Å; V16-F56 HydrophobicContact CG1-CE2 4.45Å; V16-F56 HydrophobicContact CG1-CZ 3.88Å; V16-F56 HydrophobicContact CG2-CE2 3.97Å; V16-F56 HydrophobicContact CG2-CZ 3.98Å; Y28-F56 AromaticContact CD1-CD1 3.75Å; Y28-F56 HydrophobicContact CD1-CD1 3.75Å; Y28-F56 AromaticContact CD1-CE1 3.54Å; Y28-F56 HydrophobicContact CD1-CE1 3.54Å; Y28-F56 HydrophobicContact CD1-CE2 4.33Å; Y28-F56 HydrophobicContact CD1-CG 4.25Å; Y28-F56 AromaticContact CD1-CZ 3.86Å; Y28-F56 HydrophobicContact CD1-CZ 3.86Å; Y28-F56 AromaticContact CE1-CD1 3.65Å; Y28-F56 HydrophobicContact CE1-CD1 3.65Å; Y28-F56 AromaticContact CE1-CD2 3.66Å; Y28-F56 HydrophobicContact CE1-CD2 3.66Å; Y28-F56 AromaticContact CE1-CE1 3.65Å; Y28-F56 HydrophobicContact CE1-CE1 3.65Å; Y28-F56 AromaticContact CE1-CE2 3.65Å; Y28-F56 HydrophobicContact CE1-CE2 3.65Å; Y28-F56 AromaticContact CE1-CG 3.66Å; Y28-F56 HydrophobicContact CE1-CG 3.66Å; Y28-F56 AromaticContact CE1-CZ 3.65Å; Y28-F56 HydrophobicContact CE1-CZ 3.65Å; A31-F56 HydrophobicContact CB-CE1 4.49Å; Y49-F56 AromaticContact CD1-CZ 3.95Å; Y49-F56 HydrophobicContact CD1-CZ 3.95Å; Y49-F56 HydrophobicContact CE1-CZ 4.46Å; L52-F56 HydrophobicContact CB-CD2 4.01Å; L52-F56 HydrophobicContact CB-CE2 3.67Å; L52-F56 HydrophobicContact CD1-CE2 4.35Å; L52-F56 VanDerWaalsContact O-CD2 3.27Å; L52-F56 WeakPolarHBondContact O-CD2 3.31Å; L52-F56 PolarHBondContact O-N 3.15Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.49Å; F56-T58 PolarHBondContact O-N 3.25Å; F56-D59 PolarHBondContact O-N 2.94Å; F56-A68 HydrophobicContact CB-CB 3.94Å; F56-A68 HydrophobicContact CD1-CB 4.32Å; F56-A68 HydrophobicContact CG-CB 4.36Å; F56-A68 WeakPolarHBondContact O-CB 3.45Å; F56-A71 HydrophobicContact CD1-CB 4.38Å; F56-A71 HydrophobicContact CE1-CB 4.24Å; F56-V72 HydrophobicContact CB-CG2 3.75Å; F56-V72 HydrophobicContact CD1-CG2 4.08Å; F56-V72 HydrophobicContact CG-CG2 4.37Å |
| 57 | V | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.4 | -22.4 | -179.7 | -58.1 | 0 | 0 | 0 | 0 | 113.3 | M53 Q65 L69 V72 I89 I93 C97 | M53-V57 PolarHBondContact O-N 3.35Å; V57-Q65 PolarHBondContact O-NE2 2.89Å; V57-L69 HydrophobicContact CG1-CD2 4.12Å; V57-V72 HydrophobicContact CG1-CB 4.38Å; V57-V72 HydrophobicContact CG1-CG1 4.01Å; V57-V72 HydrophobicContact CG1-CG2 3.89Å; V57-I89 HydrophobicContact CG1-CG2 4.35Å; V57-I93 HydrophobicContact CB-CG1 4.1Å; V57-I93 HydrophobicContact CG1-CD1 4.33Å; V57-I93 HydrophobicContact CG1-CG1 4Å; V57-C97 PolarHBondContact O-SG 2.92Å |
| 58 | T | 91.4 | Very high | 90.4 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 31% | 0.307 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 11.7 | -180 | 62.9 | 0 | 0 | 0 | 0 | 115.8 | K54 K55 F56 S60 K96 | K54-T58 WeakPolarHBondContact O-CB 3.19Å; K54-T58 WeakPolarHBondContact O-CG2 3.2Å; K54-T58 PolarHBondContact O-N 3.23Å; K54-T58 VanDerWaalsContact O-N 3.16Å; K54-T58 PolarHBondContact O-OG1 3.47Å; K55-T58 CarbonylContact O-C 3.58Å; K55-T58 PolarHBondContact O-N 2.82Å; F56-T58 PolarHBondContact O-N 3.25Å; T58-S60 PolarHBondContact O-N 2.94Å; T58-K96 PolarHBondContact O-NZ 3.41Å |
| 59 | D | 93 | Very high | 90.7 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | trans | -49.7 | 134.4 | -177.9 | -168.8 | -41.9 | 0 | 0 | 0 | 112.4 | R24 Y28 K55 F56 H61 A64 Q65 K96 | R24-D59 IonicContact CZ-OD1 2.69Å; R24-D59 IonicContact CZ-OD2 2.61Å; R24-D59 IonicContact NE-OD1 2.86Å; R24-D59 IonicContact NE-OD2 2.6Å; R24-D59 PolarHBondContact NE-OD2 2.79Å; R24-D59 IonicContact NH2-OD1 3.19Å; R24-D59 PolarHBondContact NH2-OD1 2.9Å; R24-D59 IonicContact NH2-OD2 3.78Å; R24-D59 PolarHBondContact NH2-OD2 2.91Å; Y28-D59 WeakPolarHBondContact CE2-OD2 3.45Å; Y28-D59 PolarHBondContact OH-OD2 3.03Å; K55-D59 PolarHBondContact O-N 3.42Å; F56-D59 PolarHBondContact O-N 2.94Å; D59-H61 VanDerWaalsContact C-N 3.26Å; D59-H61 PolarHBondContact O-N 2.83Å; D59-H61 PolarHBondContact OD1-N 3.06Å; D59-A64 WeakPolarHBondContact OD2-CB 3.45Å; D59-Q65 HydrophobicContact CB-CB 4.21Å; D59-K96 VanDerWaalsContact C-NZ 3.27Å; D59-K96 PolarHBondContact O-NZ 3.39Å | ||
| 60 | S | 87.3 | Confident | 90.8 | Very high | 105 Ų | 105 | 35.4 Ų | 35.4 | 73% | 0.734 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -60.3 | -29.3 | 179.6 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | T58 | T58-S60 PolarHBondContact O-N 2.94Š|
| 61 | H | 90.7 | Very high | 91.1 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -101.5 | 115.1 | -176.7 | -175 | -109.1 | 0 | 0 | 0 | 111.8 | W21 D59 G63 A64 Q65 | W21-H61 HydrophobicContact CB-CB 4.03Å; W21-H61 AromaticContact CD2-CE1 3.44Å; W21-H61 VanDerWaalsContact CD2-CE1 3.44Å; W21-H61 AromaticContact CD2-ND1 3.5Å; W21-H61 AromaticContact CE2-CE1 3.83Å; W21-H61 AromaticContact CE3-CE1 3.2Å; W21-H61 AromaticContact CE3-ND1 3.26Å; W21-H61 VanDerWaalsContact CE3-ND1 3.26Å; W21-H61 AromaticContact CG-CG 3.99Å; W21-H61 AromaticContact CG-ND1 3.85Å; W21-H61 AromaticContact CH2-CE1 3.77Å; W21-H61 AromaticContact CZ2-CE1 3.98Å; W21-H61 AromaticContact CZ3-CE1 3.38Å; W21-H61 WeakPolarHBondContact CZ3-CE1 3.39Å; W21-H61 AromaticContact CZ3-ND1 3.87Å; D59-H61 VanDerWaalsContact C-N 3.26Å; D59-H61 PolarHBondContact O-N 2.83Å; D59-H61 PolarHBondContact OD1-N 3.06Å; H61-G63 VanDerWaalsContact C-N 3.28Å; H61-G63 PolarHBondContact O-N 2.66Å; H61-G63 VanDerWaalsContact O-N 3.15Å; H61-A64 HydrophobicContact CB-CB 4.11Å; H61-A64 PolarHBondContact ND1-N 3.42Å; H61-A64 WeakPolarHBondContact O-CA 3.44Å; H61-A64 WeakPolarHBondContact O-CB 3.38Å; H61-A64 PolarHBondContact O-N 2.59Å; H61-Q65 PolarHBondContact O-N 3.08Å |
| 62 | A | 86.2 | Confident | 91.5 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.4 | -35.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | A64 Q65 E66 | A62-A64 VanDerWaalsContact C-N 3.32Å; A62-Q65 PolarHBondContact O-N 2.82Å; A62-E66 PolarHBondContact O-N 3.12Å |
| 63 | G | 85.2 | Confident | 91.6 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.1 | -25.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | H61 | H61-G63 VanDerWaalsContact C-N 3.28Å; H61-G63 PolarHBondContact O-N 2.66Å; H61-G63 VanDerWaalsContact O-N 3.15Å |
| 64 | A | 90 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -80.6 | -43.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V25 Y28 D59 H61 A62 E66 K67 A68 | V25-A64 HydrophobicContact CG2-CB 3.85Å; Y28-A64 HydrophobicContact CD2-CB 4.39Å; Y28-A64 WeakPolarHBondContact CD2-O 3.26Å; Y28-A64 HydrophobicContact CE2-CB 4.06Å; D59-A64 WeakPolarHBondContact OD2-CB 3.45Å; H61-A64 HydrophobicContact CB-CB 4.11Å; H61-A64 PolarHBondContact ND1-N 3.42Å; H61-A64 WeakPolarHBondContact O-CA 3.44Å; H61-A64 WeakPolarHBondContact O-CB 3.38Å; H61-A64 PolarHBondContact O-N 2.59Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A64-E66 VanDerWaalsContact C-N 3.33Å; A64-E66 PolarHBondContact O-N 3.22Å; A64-K67 PolarHBondContact O-N 2.94Å; A64-A68 WeakPolarHBondContact O-CB 3.3Å; A64-A68 PolarHBondContact O-N 3.22Å |
| 65 | Q | 92.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.9 | -41.3 | 174.8 | -164.3 | -173.8 | 25.1 | 0 | 0 | 112.8 | V57 D59 H61 A62 K67 A68 L69 C97 | V57-Q65 PolarHBondContact O-NE2 2.89Å; D59-Q65 HydrophobicContact CB-CB 4.21Å; H61-Q65 PolarHBondContact O-N 3.08Å; A62-Q65 PolarHBondContact O-N 2.82Å; Q65-K67 VanDerWaalsContact C-N 3.26Å; Q65-K67 PolarHBondContact O-N 2.61Å; Q65-A68 PolarHBondContact O-N 3.12Å; Q65-L69 WeakPolarHBondContact O-CB 3.28Å; Q65-L69 WeakPolarHBondContact O-CG 3.39Å; Q65-L69 PolarHBondContact O-N 3.18Å; Q65-C97 PolarHBondContact NE2-SG 3.44Å |
| 66 | E | 91.4 | Very high | 91.8 | Very high | 30 Ų | 30 | 22 Ų | 22 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -29.5 | 176 | -86.2 | -178.8 | -111.5 | 0 | 0 | 114 | A62 A64 R102 T105 K108 | A62-E66 PolarHBondContact O-N 3.12Å; A64-E66 VanDerWaalsContact C-N 3.33Å; A64-E66 PolarHBondContact O-N 3.22Å; E66-R102 WeakPolarHBondContact OE1-CD 3.35Å; E66-R102 IonicContact OE1-CZ 2.79Å; E66-R102 IonicContact OE1-NE 2.78Å; E66-R102 IonicContact OE1-NH1 3.71Å; E66-R102 PolarHBondContact OE1-NH1 3.09Å; E66-T105 VanDerWaalsContact CG-OG1 3.26Å; E66-T105 WeakPolarHBondContact CG-OG1 3.38Å; E66-K108 PolarHBondContact O-NZ 2.93Å |
| 67 | K | 93.1 | Very high | 91.6 | Very high | 74 Ų | 74 | 25.7 Ų | 25.7 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -88.7 | -34.2 | 177 | -69.4 | -74.8 | -179.2 | 163.9 | 0 | 111.9 | V25 E29 A64 Q65 L69 D70 A71 | V25-K67 HydrophobicContact CG1-CG 4.45Å; E29-K67 HydrophobicContact CG-CD 3.92Å; E29-K67 WeakPolarHBondContact OE1-CE 3.29Å; E29-K67 IonicContact OE1-NZ 3.49Å; E29-K67 PolarHBondContact OE1-NZ 3.49Å; A64-K67 PolarHBondContact O-N 2.94Å; Q65-K67 VanDerWaalsContact C-N 3.26Å; Q65-K67 PolarHBondContact O-N 2.61Å; K67-L69 PolarHBondContact O-N 3.08Å; K67-D70 WeakPolarHBondContact O-CB 3.3Å; K67-D70 PolarHBondContact O-N 3.07Å; K67-D70 VanDerWaalsContact O-N 3.16Å; K67-A71 PolarHBondContact O-N 2.87Å; K67-A71 VanDerWaalsContact O-N 3.11Å |
| 68 | A | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -36.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y28 F56 A64 Q65 A71 V72 | Y28-A68 HydrophobicContact CD1-CB 4.07Å; Y28-A68 HydrophobicContact CD2-CB 3.72Å; Y28-A68 HydrophobicContact CE1-CB 4.05Å; Y28-A68 HydrophobicContact CE2-CB 3.68Å; Y28-A68 HydrophobicContact CG-CB 3.95Å; F56-A68 HydrophobicContact CB-CB 3.94Å; F56-A68 HydrophobicContact CD1-CB 4.32Å; F56-A68 HydrophobicContact CG-CB 4.36Å; F56-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 WeakPolarHBondContact O-CB 3.3Å; A64-A68 PolarHBondContact O-N 3.22Å; Q65-A68 PolarHBondContact O-N 3.12Å; A68-A71 PolarHBondContact O-N 3.1Å; A68-V72 WeakPolarHBondContact O-CB 3.31Å; A68-V72 WeakPolarHBondContact O-CG2 3.35Å; A68-V72 PolarHBondContact O-N 3.14Å |
| 69 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.4 | -34.8 | 173.3 | -76.2 | 165.8 | 0 | 0 | 0 | 113.5 | V57 Q65 K67 V72 L73 I93 T105 K108 S109 | V57-L69 HydrophobicContact CG1-CD2 4.12Å; Q65-L69 WeakPolarHBondContact O-CB 3.28Å; Q65-L69 WeakPolarHBondContact O-CG 3.39Å; Q65-L69 PolarHBondContact O-N 3.18Å; K67-L69 PolarHBondContact O-N 3.08Å; L69-V72 PolarHBondContact O-N 3.41Å; L69-L73 WeakPolarHBondContact O-CB 3.42Å; L69-L73 PolarHBondContact O-N 3.4Å; L69-I93 HydrophobicContact CD2-CD1 4.42Å; L69-I93 HydrophobicContact CD2-CG1 4.38Å; L69-T105 HydrophobicContact CD1-CG2 3.67Å; L69-K108 HydrophobicContact CB-CB 4.14Å; L69-K108 HydrophobicContact CB-CD 4.14Å; L69-K108 HydrophobicContact CD1-CB 4.43Å; L69-S109 WeakPolarHBondContact CD1-OG 3.38Å |
| 70 | D | 93.3 | Very high | 90.5 | Very high | 39 Ų | 39 | 28 Ų | 28 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 171.5 | -65.6 | -43.4 | 0 | 0 | 0 | 110.2 | F32 K67 V72 L73 A74 K108 | F32-D70 HydrophobicContact CD2-CB 3.92Å; F32-D70 WeakPolarHBondContact CD2-O 3.48Å; F32-D70 HydrophobicContact CE2-CB 4.24Å; F32-D70 HydrophobicContact CG-CB 4.43Å; K67-D70 WeakPolarHBondContact O-CB 3.3Å; K67-D70 PolarHBondContact O-N 3.07Å; K67-D70 VanDerWaalsContact O-N 3.16Å; D70-V72 PolarHBondContact O-N 3.31Å; D70-L73 PolarHBondContact O-N 2.73Å; D70-A74 PolarHBondContact O-N 3.17Å; D70-K108 WeakPolarHBondContact OD1-CD 3.23Å; D70-K108 WeakPolarHBondContact OD1-CE 3.42Å; D70-K108 IonicContact OD1-NZ 2.61Å; D70-K108 PolarHBondContact OD1-NZ 3.3Å; D70-K108 IonicContact OD2-NZ 2.66Å; D70-K108 PolarHBondContact OD2-NZ 2.98Å |
| 71 | A | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A31 F32 F35 F56 K67 A68 Y75 | A31-A71 HydrophobicContact CB-CB 4.39Å; F32-A71 HydrophobicContact CB-CB 4.11Å; F35-A71 HydrophobicContact CD2-CB 4.28Å; F35-A71 VanDerWaalsContact CD2-O 3.25Å; F35-A71 WeakPolarHBondContact CD2-O 3.47Å; F35-A71 HydrophobicContact CE2-CB 4.18Å; F56-A71 HydrophobicContact CD1-CB 4.38Å; F56-A71 HydrophobicContact CE1-CB 4.24Å; K67-A71 PolarHBondContact O-N 2.87Å; K67-A71 VanDerWaalsContact O-N 3.11Å; A68-A71 PolarHBondContact O-N 3.1Å; A71-Y75 VanDerWaalsContact O-CB 3.24Å; A71-Y75 WeakPolarHBondContact O-CB 3.34Å; A71-Y75 PolarHBondContact O-N 3.03Å |
| 72 | V | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.1 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | M53 F56 V57 A68 L69 D70 Y75 I76 I89 | M53-V72 HydrophobicContact SD-CG2 3.83Å; F56-V72 HydrophobicContact CB-CG2 3.75Å; F56-V72 HydrophobicContact CD1-CG2 4.08Å; F56-V72 HydrophobicContact CG-CG2 4.37Å; V57-V72 HydrophobicContact CG1-CB 4.38Å; V57-V72 HydrophobicContact CG1-CG1 4.01Å; V57-V72 HydrophobicContact CG1-CG2 3.89Å; A68-V72 WeakPolarHBondContact O-CB 3.31Å; A68-V72 WeakPolarHBondContact O-CG2 3.35Å; A68-V72 PolarHBondContact O-N 3.14Å; L69-V72 PolarHBondContact O-N 3.41Å; D70-V72 PolarHBondContact O-N 3.31Å; V72-Y75 PolarHBondContact O-N 3.08Å; V72-I76 HydrophobicContact CG1-CD1 3.71Å; V72-I76 HydrophobicContact CG1-CG1 4.39Å; V72-I76 WeakPolarHBondContact O-CD1 3.3Å; V72-I76 WeakPolarHBondContact O-CG1 3.42Å; V72-I76 PolarHBondContact O-N 3.27Å; V72-I89 HydrophobicContact CG1-CD1 4.29Å; V72-I89 HydrophobicContact CG1-CG1 4.45Å; V72-I89 HydrophobicContact CG1-CG2 4.02Å |
| 73 | L | 93 | Very high | 90.1 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 15% | 0.152 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 176.6 | -177.8 | 58.7 | 0 | 0 | 0 | 111.2 | L69 D70 Y75 I76 E77 E111 M115 | L69-L73 WeakPolarHBondContact O-CB 3.42Å; L69-L73 PolarHBondContact O-N 3.4Å; D70-L73 PolarHBondContact O-N 2.73Å; L73-Y75 VanDerWaalsContact C-N 3.26Å; L73-Y75 PolarHBondContact O-N 3.02Å; L73-I76 PolarHBondContact O-N 3.14Å; L73-E77 WeakPolarHBondContact O-CG 3.25Å; L73-E77 PolarHBondContact O-N 3.14Å; L73-E111 HydrophobicContact CD1-CG 4.07Å; L73-E111 HydrophobicContact CD2-CG 3.93Å; L73-M115 HydrophobicContact CD1-CB 4.01Å; L73-M115 HydrophobicContact CD1-CG 4.33Å |
| 74 | A | 90.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.1 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F32 F35 D70 E77 T78 | F32-A74 HydrophobicContact CD2-CB 3.78Å; F32-A74 HydrophobicContact CE2-CB 3.94Å; F35-A74 HydrophobicContact CB-CB 4.04Å; D70-A74 PolarHBondContact O-N 3.17Å; A74-E77 PolarHBondContact O-N 2.76Å; A74-T78 PolarHBondContact O-N 2.64Å; A74-T78 PolarHBondContact O-OG1 3.49Å; A74-T78 VanDerWaalsContact O-OG1 3.06Å |
| 75 | Y | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 175.4 | -174.1 | -89.2 | 0 | 0 | 0 | 112.7 | F35 F46 V50 M53 A71 V72 L73 E77 A79 A82 | F35-Y75 AromaticContact CD1-CD2 3.94Å; F35-Y75 HydrophobicContact CD1-CD2 3.94Å; F35-Y75 HydrophobicContact CD2-CD2 4.11Å; F35-Y75 HydrophobicContact CD2-CG 4.45Å; F35-Y75 AromaticContact CE1-CD2 3.77Å; F35-Y75 HydrophobicContact CE1-CD2 3.77Å; F35-Y75 HydrophobicContact CE1-CE2 4.29Å; F35-Y75 AromaticContact CE2-CD2 3.92Å; F35-Y75 HydrophobicContact CE2-CD2 3.92Å; F35-Y75 HydrophobicContact CE2-CG 4.41Å; F35-Y75 HydrophobicContact CG-CD2 4.12Å; F35-Y75 AromaticContact CZ-CD2 3.75Å; F35-Y75 HydrophobicContact CZ-CD2 3.75Å; F35-Y75 HydrophobicContact CZ-CE2 4.4Å; F46-Y75 HydrophobicContact CB-CE2 3.95Å; F46-Y75 AromaticContact CD1-CD2 3.74Å; F46-Y75 HydrophobicContact CD1-CD2 3.74Å; F46-Y75 AromaticContact CD1-CE2 3.67Å; F46-Y75 HydrophobicContact CD1-CE2 3.67Å; F46-Y75 HydrophobicContact CE1-CD2 4.34Å; F46-Y75 HydrophobicContact CG-CE2 4.27Å; F46-Y75 WeakPolarHBondContact O-CE2 3.41Å; F46-Y75 PolarHBondContact O-OH 3.09Å; V50-Y75 WeakPolarHBondContact CG2-OH 3.48Å; M53-Y75 HydrophobicContact CE-CD1 3.64Å; M53-Y75 HydrophobicContact CE-CD2 3.42Å; M53-Y75 VanDerWaalsContact CE-CD2 3.42Å; M53-Y75 HydrophobicContact CE-CE1 3.86Å; M53-Y75 HydrophobicContact CE-CE2 3.63Å; M53-Y75 HydrophobicContact CE-CG 3.42Å; M53-Y75 VanDerWaalsContact CE-CG 3.42Å; M53-Y75 HydrophobicContact CG-CE1 4.33Å; M53-Y75 HydrophobicContact SD-CD1 3.91Å; M53-Y75 HydrophobicContact SD-CE1 4.28Å; M53-Y75 HydrophobicContact SD-CG 4.13Å; A71-Y75 VanDerWaalsContact O-CB 3.24Å; A71-Y75 WeakPolarHBondContact O-CB 3.34Å; A71-Y75 PolarHBondContact O-N 3.03Å; V72-Y75 PolarHBondContact O-N 3.08Å; L73-Y75 VanDerWaalsContact C-N 3.26Å; L73-Y75 PolarHBondContact O-N 3.02Å; Y75-E77 VanDerWaalsContact C-N 3.29Å; Y75-E77 PolarHBondContact O-N 3.32Å; Y75-A79 HydrophobicContact CD1-CB 4.07Å; Y75-A79 HydrophobicContact CD2-CB 4.01Å; Y75-A79 HydrophobicContact CE1-CB 3.91Å; Y75-A79 HydrophobicContact CE2-CB 3.87Å; Y75-A79 HydrophobicContact CG-CB 4.1Å; Y75-A79 WeakPolarHBondContact O-CA 3.5Å; Y75-A79 WeakPolarHBondContact O-CB 3.3Å; Y75-A79 PolarHBondContact O-N 3.22Å; Y75-A82 HydrophobicContact CD1-CB 4.05Å; Y75-A82 HydrophobicContact CE1-CB 4Å |
| 76 | I | 92.3 | Very high | 90 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.8 | -33.8 | 176 | -59.7 | 154.9 | 0 | 0 | 0 | 110.7 | V72 L73 A82 I89 C112 M115 L116 I119 | V72-I76 HydrophobicContact CG1-CD1 3.71Å; V72-I76 HydrophobicContact CG1-CG1 4.39Å; V72-I76 WeakPolarHBondContact O-CD1 3.3Å; V72-I76 WeakPolarHBondContact O-CG1 3.42Å; V72-I76 PolarHBondContact O-N 3.27Å; L73-I76 PolarHBondContact O-N 3.14Å; I76-A82 HydrophobicContact CB-CB 4.44Å; I76-A82 HydrophobicContact CG1-CB 4.44Å; I76-I89 HydrophobicContact CD1-CD1 4.37Å; I76-I89 HydrophobicContact CD1-CG2 4.3Å; I76-I89 HydrophobicContact CG1-CD1 4.18Å; I76-C112 HydrophobicContact CD1-CB 4.04Å; I76-M115 HydrophobicContact CB-CG 4.29Å; I76-M115 HydrophobicContact CG2-CB 4.12Å; I76-M115 HydrophobicContact CG2-CG 3.7Å; I76-L116 HydrophobicContact CD1-CD1 4.5Å; I76-L116 HydrophobicContact CD1-CD2 4.29Å; I76-L116 HydrophobicContact CD1-CG 4.11Å; I76-L116 HydrophobicContact CG1-CD2 4.15Å; I76-L116 HydrophobicContact CG2-CD2 3.73Å; I76-L116 HydrophobicContact CG2-CG 4.14Å; I76-I119 HydrophobicContact CG2-CD1 3.96Å; I76-I119 HydrophobicContact CG2-CG1 4.07Å; I76-I119 HydrophobicContact CG2-CG2 4.4Å |
| 77 | E | 88.8 | Confident | 89.8 | Confident | 79 Ų | 79 | 27 Ų | 27 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.9 | -50.5 | 178.7 | -72.8 | 175.5 | 164.2 | 0 | 0 | 112.5 | L73 A74 Y75 M115 R233 | L73-E77 WeakPolarHBondContact O-CG 3.25Å; L73-E77 PolarHBondContact O-N 3.14Å; A74-E77 PolarHBondContact O-N 2.76Å; Y75-E77 VanDerWaalsContact C-N 3.29Å; Y75-E77 PolarHBondContact O-N 3.32Å; E77-M115 HydrophobicContact CG-CE 3.89Å; E77-M115 HydrophobicContact CG-CG 3.95Å; E77-M115 HydrophobicContact CG-SD 3.98Å; E77-R233 PolarHBondContact O-NH1 3.37Å; E77-R233 VanDerWaalsContact O-NH1 3.07Å; E77-R233 PolarHBondContact O-NH2 3.2Å |
| 78 | T | 85.8 | Confident | 89.7 | Confident | 47 Ų | 47 | 26.5 Ų | 26.5 | 29% | 0.288 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -95.2 | -36.1 | -174.2 | 54.2 | 0 | 0 | 0 | 0 | 115 | F35 G41 F46 A74 A80 | F35-T78 WeakPolarHBondContact O-CG2 3.27Å; F35-T78 PolarHBondContact O-OG1 2.91Å; G41-T78 WeakPolarHBondContact CA-O 3.5Å; F46-T78 WeakPolarHBondContact CE1-OG1 3.5Å; F46-T78 VanDerWaalsContact CZ-OG1 3.28Å; F46-T78 WeakPolarHBondContact CZ-OG1 3.41Å; A74-T78 PolarHBondContact O-N 2.64Å; A74-T78 PolarHBondContact O-OG1 3.49Å; A74-T78 VanDerWaalsContact O-OG1 3.06Å; T78-A80 PolarHBondContact O-N 3.04Å |
| 79 | A | 86.5 | Confident | 89.6 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | trans | -81.2 | 118.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F46 Y75 A81 A82 | F46-A79 HydrophobicContact CB-CB 3.91Å; F46-A79 HydrophobicContact CD1-CB 3.44Å; F46-A79 VanDerWaalsContact CD1-CB 3.44Å; F46-A79 HydrophobicContact CD2-CB 4.03Å; F46-A79 HydrophobicContact CE1-CB 3.82Å; F46-A79 HydrophobicContact CE2-CB 4.39Å; F46-A79 HydrophobicContact CG-CB 3.54Å; F46-A79 HydrophobicContact CZ-CB 4.28Å; Y75-A79 HydrophobicContact CD1-CB 4.07Å; Y75-A79 HydrophobicContact CD2-CB 4.01Å; Y75-A79 HydrophobicContact CE1-CB 3.91Å; Y75-A79 HydrophobicContact CE2-CB 3.87Å; Y75-A79 HydrophobicContact CG-CB 4.1Å; Y75-A79 WeakPolarHBondContact O-CA 3.5Å; Y75-A79 WeakPolarHBondContact O-CB 3.3Å; Y75-A79 PolarHBondContact O-N 3.22Å; A79-A81 PolarHBondContact O-N 2.83Å; A79-A81 VanDerWaalsContact O-N 3.13Å; A79-A82 HydrophobicContact CB-CB 4.48Å; A79-A82 VanDerWaalsContact O-CB 3.24Å; A79-A82 WeakPolarHBondContact O-CB 3.38Å; A79-A82 PolarHBondContact O-N 3.49Å | ||
| 80 | A | 83.2 | Confident | 89.5 | Confident | 55 Ų | 55 | 26.5 Ų | 26.5 | 46% | 0.455 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | G41 T78 A82 T83 | G41-A80 VanDerWaalsContact O-CB 3.23Å; G41-A80 WeakPolarHBondContact O-CB 3.24Å; G41-A80 PolarHBondContact O-N 3.34Å; T78-A80 PolarHBondContact O-N 3.04Å; A80-A82 VanDerWaalsContact C-N 3.29Å; A80-A82 PolarHBondContact O-N 2.89Å; A80-T83 PolarHBondContact O-OG1 3.27Å |
| 81 | A | 84.6 | Confident | 89.3 | Confident | 8 Ų | 8 | 26 Ų | 26 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | F46 V50 A79 T83 K84 | F46-A81 HydrophobicContact CB-CB 4.43Å; V50-A81 HydrophobicContact CG2-CB 4.1Å; A79-A81 PolarHBondContact O-N 2.83Å; A79-A81 VanDerWaalsContact O-N 3.13Å; A81-T83 PolarHBondContact O-N 3.09Å; A81-K84 HydrophobicContact CB-CD 4.47Å; A81-K84 VanDerWaalsContact O-CB 3.29Å; A81-K84 WeakPolarHBondContact O-CB 3.46Å; A81-K84 PolarHBondContact O-N 3.08Å |
| 82 | A | 86.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.3 | -31.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y75 I76 A79 A80 K84 C85 A86 I119 | Y75-A82 HydrophobicContact CD1-CB 4.05Å; Y75-A82 HydrophobicContact CE1-CB 4Å; I76-A82 HydrophobicContact CB-CB 4.44Å; I76-A82 HydrophobicContact CG1-CB 4.44Å; A79-A82 HydrophobicContact CB-CB 4.48Å; A79-A82 VanDerWaalsContact O-CB 3.24Å; A79-A82 WeakPolarHBondContact O-CB 3.38Å; A79-A82 PolarHBondContact O-N 3.49Å; A80-A82 VanDerWaalsContact C-N 3.29Å; A80-A82 PolarHBondContact O-N 2.89Å; A82-K84 PolarHBondContact O-N 3.25Å; A82-K84 VanDerWaalsContact O-N 3.1Å; A82-C85 PolarHBondContact O-N 3.34Å; A82-A86 PolarHBondContact O-N 3.19Å; A82-A86 VanDerWaalsContact O-N 3.09Å; A82-I119 HydrophobicContact CB-CD1 4.01Å |
| 83 | T | 85.5 | Confident | 89.2 | Confident | 52 Ų | 52 | 26 Ų | 26 | 32% | 0.319 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.5 | -21.1 | 173.1 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | A80 A81 I119 R121 | A80-T83 PolarHBondContact O-OG1 3.27Å; A81-T83 PolarHBondContact O-N 3.09Å; T83-I119 HydrophobicContact CG2-CD1 4.06Å; T83-R121 PolarHBondContact O-NE 3.33Å |
| 84 | K | 86.4 | Confident | 89.2 | Confident | 143 Ų | 143 | 25 Ų | 25 | 62% | 0.622 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -84.9 | -31.6 | 178.7 | -57.1 | 176.3 | -178.2 | 174.1 | 0 | 113.2 | N47 V50 A81 A82 | N47-K84 PolarHBondContact OD1-NZ 3.45Å; V50-K84 HydrophobicContact CG1-CB 4.36Å; A81-K84 HydrophobicContact CB-CD 4.47Å; A81-K84 VanDerWaalsContact O-CB 3.29Å; A81-K84 WeakPolarHBondContact O-CB 3.46Å; A81-K84 PolarHBondContact O-N 3.08Å; A82-K84 PolarHBondContact O-N 3.25Å; A82-K84 VanDerWaalsContact O-N 3.1Å |
| 85 | C | 88.2 | Confident | 89 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -107.9 | 2.2 | -175.4 | 50.5 | 0 | 0 | 0 | 0 | 114 | V50 M53 A82 G87 D88 I89 | V50-C85 HydrophobicContact CG1-CB 4.11Å; M53-C85 HydrophobicContact CB-CB 4.2Å; M53-C85 HydrophobicContact CG-CB 4.29Å; A82-C85 PolarHBondContact O-N 3.34Å; C85-G87 VanDerWaalsContact C-N 3.25Å; C85-G87 PolarHBondContact O-N 3.48Å; C85-G87 VanDerWaalsContact O-N 3.14Å; C85-D88 PolarHBondContact O-N 2.94Å; C85-I89 HydrophobicContact CB-CD1 4.47Å; C85-I89 WeakPolarHBondContact O-CG1 3.25Å; C85-I89 PolarHBondContact O-N 3.23Å |
| 86 | A | 89.9 | Confident | 88.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -48.4 | -40.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A82 I89 C90 L116 R121 L124 | A82-A86 PolarHBondContact O-N 3.19Å; A82-A86 VanDerWaalsContact O-N 3.09Å; A86-I89 PolarHBondContact O-N 3.45Å; A86-C90 WeakPolarHBondContact O-CB 3.46Å; A86-C90 PolarHBondContact O-N 3.01Å; A86-C90 PolarHBondContact O-SG 3.37Å; A86-L116 HydrophobicContact CB-CD2 3.81Å; A86-R121 HydrophobicContact CB-CB 4.15Å; A86-R121 HydrophobicContact CB-CG 3.94Å; A86-L124 HydrophobicContact CB-CD2 4.41Å |
| 87 | G | 88.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C85 S91 | C85-G87 VanDerWaalsContact C-N 3.25Å; C85-G87 PolarHBondContact O-N 3.48Å; C85-G87 VanDerWaalsContact O-N 3.14Å; G87-S91 WeakPolarHBondContact O-CB 2.98Å; G87-S91 PolarHBondContact O-N 3.4Å; G87-S91 PolarHBondContact O-OG 3.04Å |
| 88 | D | 90 | Very high | 88.7 | Confident | 64 Ų | 64 | 29 Ų | 29 | 34% | 0.342 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -71.1 | -35.9 | 175.6 | -81.8 | -31.4 | 0 | 0 | 0 | 112.2 | K54 C85 S91 G92 | K54-D88 HydrophobicContact CB-CB 3.92Å; K54-D88 HydrophobicContact CD-CB 4.16Å; K54-D88 VanDerWaalsContact CD-OD1 3.29Å; K54-D88 WeakPolarHBondContact CD-OD1 3.3Å; K54-D88 VanDerWaalsContact CE-OD1 3.31Å; K54-D88 WeakPolarHBondContact CE-OD1 3.31Å; K54-D88 HydrophobicContact CG-CB 4.03Å; K54-D88 IonicContact NZ-OD1 3.27Å; K54-D88 PolarHBondContact NZ-OD1 3.33Å; C85-D88 PolarHBondContact O-N 2.94Å; D88-S91 PolarHBondContact O-OG 2.83Å; D88-G92 PolarHBondContact O-N 3.2Å; D88-G92 VanDerWaalsContact O-N 3.1Å |
| 89 | I | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -50.7 | 174.9 | -65.5 | 167.7 | 0 | 0 | 0 | 110.2 | M53 V57 V72 I76 C85 A86 G92 I93 L116 | M53-I89 HydrophobicContact CB-CD1 4.14Å; M53-I89 HydrophobicContact CB-CG1 3.86Å; M53-I89 HydrophobicContact CG-CD1 4.31Å; V57-I89 HydrophobicContact CG1-CG2 4.35Å; V72-I89 HydrophobicContact CG1-CD1 4.29Å; V72-I89 HydrophobicContact CG1-CG1 4.45Å; V72-I89 HydrophobicContact CG1-CG2 4.02Å; I76-I89 HydrophobicContact CD1-CD1 4.37Å; I76-I89 HydrophobicContact CD1-CG2 4.3Å; I76-I89 HydrophobicContact CG1-CD1 4.18Å; C85-I89 HydrophobicContact CB-CD1 4.47Å; C85-I89 WeakPolarHBondContact O-CG1 3.25Å; C85-I89 PolarHBondContact O-N 3.23Å; A86-I89 PolarHBondContact O-N 3.45Å; I89-G92 PolarHBondContact O-N 2.88Å; I89-I93 HydrophobicContact CG2-CD1 3.68Å; I89-I93 HydrophobicContact CG2-CG1 4.46Å; I89-I93 WeakPolarHBondContact O-CB 3.33Å; I89-I93 WeakPolarHBondContact O-CG1 3.49Å; I89-I93 PolarHBondContact O-N 2.99Å; I89-L116 HydrophobicContact CB-CD1 4.2Å; I89-L116 HydrophobicContact CG2-CD1 3.78Å |
| 90 | C | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -54.1 | 179.7 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | A86 G92 I93 I94 L113 L116 L124 E128 | A86-C90 WeakPolarHBondContact O-CB 3.46Å; A86-C90 PolarHBondContact O-N 3.01Å; A86-C90 PolarHBondContact O-SG 3.37Å; C90-G92 VanDerWaalsContact C-N 3.29Å; C90-G92 PolarHBondContact O-N 3.46Å; C90-I93 PolarHBondContact O-N 3.42Å; C90-I94 HydrophobicContact CB-CD1 4.43Å; C90-I94 WeakPolarHBondContact O-CB 3.05Å; C90-I94 WeakPolarHBondContact O-CD1 3.3Å; C90-I94 WeakPolarHBondContact O-CG1 3.45Å; C90-I94 PolarHBondContact O-N 2.84Å; C90-L113 HydrophobicContact CB-CD2 4.2Å; C90-L116 WeakPolarHBondContact SG-CD1 3.41Å; C90-L124 HydrophobicContact CB-CD2 3.94Å; C90-L124 WeakPolarHBondContact SG-CD2 3.03Å; C90-E128 HydrophobicContact CB-CB 4.3Å; C90-E128 HydrophobicContact CB-CG 4.21Å |
| 91 | S | 90.6 | Very high | 88.8 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | G87 D88 S95 E128 | G87-S91 WeakPolarHBondContact O-CB 2.98Å; G87-S91 PolarHBondContact O-N 3.4Å; G87-S91 PolarHBondContact O-OG 3.04Å; D88-S91 PolarHBondContact O-OG 2.83Å; S91-S95 VanDerWaalsContact O-CB 3.23Å; S91-S95 WeakPolarHBondContact O-CB 3.46Å; S91-S95 PolarHBondContact O-N 3.38Å; S91-S95 VanDerWaalsContact O-N 3.11Å; S91-S95 PolarHBondContact O-OG 3.27Å; S91-E128 WeakPolarHBondContact CB-OE2 3.22Å |
| 92 | G | 91.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.5 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | D88 I89 C90 S95 K96 | D88-G92 PolarHBondContact O-N 3.2Å; D88-G92 VanDerWaalsContact O-N 3.1Å; I89-G92 PolarHBondContact O-N 2.88Å; C90-G92 VanDerWaalsContact C-N 3.29Å; C90-G92 PolarHBondContact O-N 3.46Å; G92-S95 PolarHBondContact O-OG 3.49Å; G92-K96 PolarHBondContact O-N 3.2Å |
| 93 | I | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -64.3 | -47.3 | 176.3 | -79.2 | 173.3 | 0 | 0 | 0 | 111.6 | V57 L69 I89 C90 C97 L98 C112 L113 | V57-I93 HydrophobicContact CB-CG1 4.1Å; V57-I93 HydrophobicContact CG1-CD1 4.33Å; V57-I93 HydrophobicContact CG1-CG1 4Å; L69-I93 HydrophobicContact CD2-CD1 4.42Å; L69-I93 HydrophobicContact CD2-CG1 4.38Å; I89-I93 HydrophobicContact CG2-CD1 3.68Å; I89-I93 HydrophobicContact CG2-CG1 4.46Å; I89-I93 WeakPolarHBondContact O-CB 3.33Å; I89-I93 WeakPolarHBondContact O-CG1 3.49Å; I89-I93 PolarHBondContact O-N 2.99Å; C90-I93 PolarHBondContact O-N 3.42Å; I93-C97 HydrophobicContact CG2-CB 4.39Å; I93-C97 WeakPolarHBondContact O-CA 3.4Å; I93-C97 WeakPolarHBondContact O-CB 3.38Å; I93-C97 PolarHBondContact O-N 2.87Å; I93-L98 HydrophobicContact CG2-CD2 4.24Å; I93-L98 HydrophobicContact CG2-CG 4.02Å; I93-L98 PolarHBondContact O-N 3.48Å; I93-C112 HydrophobicContact CD1-CB 3.61Å; I93-L113 HydrophobicContact CD1-CD2 4.48Å; I93-L113 HydrophobicContact CD1-CG 4.5Å; I93-L113 HydrophobicContact CG2-CD1 3.73Å; I93-L113 HydrophobicContact CG2-CD2 4.21Å; I93-L113 HydrophobicContact CG2-CG 3.93Å |
| 94 | I | 91.5 | Very high | 88.9 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -70.9 | -42.3 | -174.4 | -67.9 | 160 | 0 | 0 | 0 | 110.3 | C90 K96 L98 L113 E128 L129 V140 | C90-I94 HydrophobicContact CB-CD1 4.43Å; C90-I94 WeakPolarHBondContact O-CB 3.05Å; C90-I94 WeakPolarHBondContact O-CD1 3.3Å; C90-I94 WeakPolarHBondContact O-CG1 3.45Å; C90-I94 PolarHBondContact O-N 2.84Å; I94-K96 PolarHBondContact O-N 3.24Å; I94-L98 HydrophobicContact CB-CD1 4.28Å; I94-L98 HydrophobicContact CG1-CD1 3.72Å; I94-L98 HydrophobicContact CG2-CD1 4.49Å; I94-L113 HydrophobicContact CG1-CD1 4.31Å; I94-E128 HydrophobicContact CD1-CB 3.53Å; I94-L129 HydrophobicContact CD1-CD2 4.08Å; I94-L129 HydrophobicContact CD1-CG 4.11Å; I94-L129 HydrophobicContact CG1-CD2 4.18Å; I94-V140 HydrophobicContact CG2-CG1 4.21Å; I94-V140 VanDerWaalsContact O-CG1 3.31Å; I94-V140 WeakPolarHBondContact O-CG1 3.32Å |
| 95 | S | 87.1 | Confident | 89 | Confident | 82 Ų | 82 | 39 Ų | 39 | 57% | 0.573 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -68.3 | -31.9 | 179 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | S91 G92 | S91-S95 VanDerWaalsContact O-CB 3.23Å; S91-S95 WeakPolarHBondContact O-CB 3.46Å; S91-S95 PolarHBondContact O-N 3.38Å; S91-S95 VanDerWaalsContact O-N 3.11Å; S91-S95 PolarHBondContact O-OG 3.27Å; G92-S95 PolarHBondContact O-OG 3.49Å |
| 96 | K | 87 | Confident | 89.1 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -122.3 | -40.4 | -171.7 | -156.1 | -177.1 | -171.2 | -170.4 | 0 | 115.8 | T58 D59 G92 I94 | T58-K96 PolarHBondContact O-NZ 3.41Å; D59-K96 VanDerWaalsContact C-NZ 3.27Å; D59-K96 PolarHBondContact O-NZ 3.39Å; G92-K96 PolarHBondContact O-N 3.2Å; I94-K96 PolarHBondContact O-N 3.24Å |
| 97 | C | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -89.5 | -42.2 | -168.6 | -51.8 | 0 | 0 | 0 | 0 | 113.7 | V57 Q65 I93 G99 S100 S109 | V57-C97 PolarHBondContact O-SG 2.92Å; Q65-C97 PolarHBondContact NE2-SG 3.44Å; I93-C97 HydrophobicContact CG2-CB 4.39Å; I93-C97 WeakPolarHBondContact O-CA 3.4Å; I93-C97 WeakPolarHBondContact O-CB 3.38Å; I93-C97 PolarHBondContact O-N 2.87Å; C97-G99 PolarHBondContact O-N 3.05Å; C97-S100 WeakPolarHBondContact O-CB 3.4Å; C97-S100 PolarHBondContact O-N 3.31Å; C97-S109 WeakPolarHBondContact CB-OG 3.47Å |
| 98 | L | 89.7 | Confident | 89.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.2 | -177.8 | -71.6 | -173 | 0 | 0 | 0 | 113.2 | I93 I94 K106 I110 L113 L129 | I93-L98 HydrophobicContact CG2-CD2 4.24Å; I93-L98 HydrophobicContact CG2-CG 4.02Å; I93-L98 PolarHBondContact O-N 3.48Å; I94-L98 HydrophobicContact CB-CD1 4.28Å; I94-L98 HydrophobicContact CG1-CD1 3.72Å; I94-L98 HydrophobicContact CG2-CD1 4.49Å; L98-K106 WeakPolarHBondContact O-CE 3.43Å; L98-I110 HydrophobicContact CD2-CG1 3.99Å; L98-L113 HydrophobicContact CD1-CD1 4.2Å; L98-L113 HydrophobicContact CD2-CD1 4.34Å; L98-L129 HydrophobicContact CD1-CD2 3.95Å |
| 99 | G | 87.6 | Confident | 89.3 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C97 | C97-G99 PolarHBondContact O-N 3.05Š|
| 100 | S | 87.3 | Confident | 89.4 | Confident | 33 Ų | 33 | 42 Ų | 42 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | trans | -64.3 | 145.6 | -178.6 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | C97 R102 | C97-S100 WeakPolarHBondContact O-CB 3.4Å; C97-S100 PolarHBondContact O-N 3.31Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact OG-N 3.39Å; S100-R102 VanDerWaalsContact OG-N 3.1Å | ||
| 101 | T | 83.6 | Confident | 89.5 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 70% | 0.699 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -82.3 | -9.3 | 169.9 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 102 | R | 85.9 | Confident | 89.7 | Confident | 114 Ų | 114 | 43.3 Ų | 43.3 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | trans | -90.5 | 112.1 | 175.1 | -69.2 | -165.8 | -178.4 | -166.3 | -2.3 | 109.8 | E66 S100 K104 T105 K106 | E66-R102 WeakPolarHBondContact OE1-CD 3.35Å; E66-R102 IonicContact OE1-CZ 2.79Å; E66-R102 IonicContact OE1-NE 2.78Å; E66-R102 IonicContact OE1-NH1 3.71Å; E66-R102 PolarHBondContact OE1-NH1 3.09Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact OG-N 3.39Å; S100-R102 VanDerWaalsContact OG-N 3.1Å; R102-K104 PolarHBondContact O-N 2.71Å; R102-T105 VanDerWaalsContact CB-OG1 3.27Å; R102-T105 WeakPolarHBondContact CB-OG1 3.47Å; R102-T105 WeakPolarHBondContact O-CB 3.46Å; R102-T105 PolarHBondContact O-N 2.99Å; R102-K106 PolarHBondContact O-N 2.82Å; R102-K106 VanDerWaalsContact O-N 3.17Å | ||
| 103 | V | 85.7 | Confident | 89.9 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 62% | 0.618 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -51 | -53.5 | -179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | T105 K106 D107 | V103-T105 VanDerWaalsContact C-N 3.27Å; V103-T105 PolarHBondContact O-N 2.88Å; V103-T105 VanDerWaalsContact O-N 3.13Å; V103-K106 WeakPolarHBondContact O-CA 3.2Å; V103-K106 WeakPolarHBondContact O-CB 3.4Å; V103-K106 PolarHBondContact O-N 2.76Å; V103-D107 WeakPolarHBondContact CG1-OD2 3.35Å; V103-D107 PolarHBondContact O-N 3.03Å |
| 104 | K | 86.3 | Confident | 89.9 | Confident | 144 Ų | 144 | 43.3 Ų | 43.3 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -53.5 | -36.4 | 176.2 | -67.1 | -171.7 | 178 | -174.2 | 0 | 114.8 | R102 K108 | R102-K104 PolarHBondContact O-N 2.71Å; K104-K108 VanDerWaalsContact O-CG 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.26Å; K104-K108 PolarHBondContact O-N 3.21Å |
| 105 | T | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 176.2 | -44.5 | 0 | 0 | 0 | 0 | 110.7 | E66 L69 R102 V103 S109 | E66-T105 VanDerWaalsContact CG-OG1 3.26Å; E66-T105 WeakPolarHBondContact CG-OG1 3.38Å; L69-T105 HydrophobicContact CD1-CG2 3.67Å; R102-T105 VanDerWaalsContact CB-OG1 3.27Å; R102-T105 WeakPolarHBondContact CB-OG1 3.47Å; R102-T105 WeakPolarHBondContact O-CB 3.46Å; R102-T105 PolarHBondContact O-N 2.99Å; V103-T105 VanDerWaalsContact C-N 3.27Å; V103-T105 PolarHBondContact O-N 2.88Å; V103-T105 VanDerWaalsContact O-N 3.13Å; T105-S109 VanDerWaalsContact O-CB 3.3Å; T105-S109 WeakPolarHBondContact O-CB 3.18Å; T105-S109 PolarHBondContact O-N 2.91Å; T105-S109 PolarHBondContact O-OG 2.81Å |
| 106 | K | 88.9 | Confident | 90.3 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 14% | 0.135 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.7 | -48.3 | 178.4 | -165 | -172.9 | -174.4 | -167 | 0 | 111.2 | L98 R102 V103 S109 I110 | L98-K106 WeakPolarHBondContact O-CE 3.43Å; R102-K106 PolarHBondContact O-N 2.82Å; R102-K106 VanDerWaalsContact O-N 3.17Å; V103-K106 WeakPolarHBondContact O-CA 3.2Å; V103-K106 WeakPolarHBondContact O-CB 3.4Å; V103-K106 PolarHBondContact O-N 2.76Å; K106-S109 WeakPolarHBondContact O-CA 3.41Å; K106-S109 WeakPolarHBondContact O-CB 3.27Å; K106-S109 PolarHBondContact O-N 3.09Å; K106-I110 HydrophobicContact CG-CD1 4.25Å; K106-I110 WeakPolarHBondContact O-CG1 3.46Å; K106-I110 PolarHBondContact O-N 3.15Å |
| 107 | D | 91.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 35.7 Ų | 35.7 | 41% | 0.412 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.5 | -49.3 | -176.1 | -52.3 | -21 | 0 | 0 | 0 | 111.5 | V103 S109 I110 E111 | V103-D107 WeakPolarHBondContact CG1-OD2 3.35Å; V103-D107 PolarHBondContact O-N 3.03Å; D107-S109 PolarHBondContact O-N 2.84Å; D107-I110 PolarHBondContact O-N 3.16Å; D107-E111 PolarHBondContact O-N 2.95Å |
| 108 | K | 90.3 | Very high | 90.5 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 19% | 0.191 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -35.5 | 174 | -68.4 | -178.5 | -166.4 | -170.9 | 0 | 112.3 | E66 L69 D70 K104 E111 C112 | E66-K108 PolarHBondContact O-NZ 2.93Å; L69-K108 HydrophobicContact CB-CB 4.14Å; L69-K108 HydrophobicContact CB-CD 4.14Å; L69-K108 HydrophobicContact CD1-CB 4.43Å; D70-K108 WeakPolarHBondContact OD1-CD 3.23Å; D70-K108 WeakPolarHBondContact OD1-CE 3.42Å; D70-K108 IonicContact OD1-NZ 2.61Å; D70-K108 PolarHBondContact OD1-NZ 3.3Å; D70-K108 IonicContact OD2-NZ 2.66Å; D70-K108 PolarHBondContact OD2-NZ 2.98Å; K104-K108 VanDerWaalsContact O-CG 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.26Å; K104-K108 PolarHBondContact O-N 3.21Å; K108-E111 PolarHBondContact O-N 3.48Å; K108-C112 PolarHBondContact O-N 2.99Å; K108-C112 PolarHBondContact O-SG 2.71Å |
| 109 | S | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.8 | -35.6 | 179.5 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | L69 C97 T105 K106 D107 L113 | L69-S109 WeakPolarHBondContact CD1-OG 3.38Å; C97-S109 WeakPolarHBondContact CB-OG 3.47Å; T105-S109 VanDerWaalsContact O-CB 3.3Å; T105-S109 WeakPolarHBondContact O-CB 3.18Å; T105-S109 PolarHBondContact O-N 2.91Å; T105-S109 PolarHBondContact O-OG 2.81Å; K106-S109 WeakPolarHBondContact O-CA 3.41Å; K106-S109 WeakPolarHBondContact O-CB 3.27Å; K106-S109 PolarHBondContact O-N 3.09Å; D107-S109 PolarHBondContact O-N 2.84Å; S109-L113 WeakPolarHBondContact O-CG 3.4Å; S109-L113 PolarHBondContact O-N 3.07Å |
| 110 | I | 94 | Very high | 90.4 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 170 | -68.3 | 171.7 | 0 | 0 | 0 | 109 | L98 K106 D107 C112 L113 L114 Q146 T147 | L98-I110 HydrophobicContact CD2-CG1 3.99Å; K106-I110 HydrophobicContact CG-CD1 4.25Å; K106-I110 WeakPolarHBondContact O-CG1 3.46Å; K106-I110 PolarHBondContact O-N 3.15Å; D107-I110 PolarHBondContact O-N 3.16Å; I110-C112 VanDerWaalsContact C-N 3.35Å; I110-C112 PolarHBondContact O-N 2.73Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 2.99Å; I110-L114 HydrophobicContact CG2-CD1 3.8Å; I110-L114 HydrophobicContact CG2-CG 4.17Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.11Å; I110-Q146 HydrophobicContact CD1-CG 4.12Å; I110-T147 HydrophobicContact CG2-CG2 4.5Å |
| 111 | E | 94.6 | Very high | 90.6 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -38.3 | 179 | -172.1 | 64.4 | 179.8 | 0 | 0 | 112.8 | L73 D107 K108 L113 L114 M115 R230 | L73-E111 HydrophobicContact CD1-CG 4.07Å; L73-E111 HydrophobicContact CD2-CG 3.93Å; D107-E111 PolarHBondContact O-N 2.95Å; K108-E111 PolarHBondContact O-N 3.48Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 2.94Å; E111-L114 PolarHBondContact O-N 2.91Å; E111-M115 WeakPolarHBondContact O-CB 3.41Å; E111-M115 PolarHBondContact O-N 3.16Å; E111-R230 VanDerWaalsContact CD-NH1 3.32Å; E111-R230 IonicContact OE1-CZ 2.66Å; E111-R230 IonicContact OE1-NH1 3.73Å; E111-R230 PolarHBondContact OE1-NH1 3.19Å; E111-R230 VanDerWaalsContact OE1-NH1 3.09Å; E111-R230 IonicContact OE1-NH2 2.88Å; E111-R230 PolarHBondContact OE1-NH2 3.37Å; E111-R230 IonicContact OE2-CZ 2.69Å; E111-R230 IonicContact OE2-NH1 2.76Å; E111-R230 PolarHBondContact OE2-NH1 3.34Å; E111-R230 IonicContact OE2-NH2 3.24Å |
| 112 | C | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 170.4 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | I76 I93 K108 I110 M115 L116 | I76-C112 HydrophobicContact CD1-CB 4.04Å; I93-C112 HydrophobicContact CD1-CB 3.61Å; K108-C112 PolarHBondContact O-N 2.99Å; K108-C112 PolarHBondContact O-SG 2.71Å; I110-C112 VanDerWaalsContact C-N 3.35Å; I110-C112 PolarHBondContact O-N 2.73Å; C112-M115 PolarHBondContact O-N 2.72Å; C112-L116 WeakPolarHBondContact O-CG 3.42Å; C112-L116 PolarHBondContact O-N 2.64Å |
| 113 | L | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -38.1 | 177.2 | -67.5 | 175.6 | 0 | 0 | 0 | 112 | C90 I93 I94 L98 S109 I110 E111 L116 I117 V125 L129 T147 | C90-L113 HydrophobicContact CB-CD2 4.2Å; I93-L113 HydrophobicContact CD1-CD2 4.48Å; I93-L113 HydrophobicContact CD1-CG 4.5Å; I93-L113 HydrophobicContact CG2-CD1 3.73Å; I93-L113 HydrophobicContact CG2-CD2 4.21Å; I93-L113 HydrophobicContact CG2-CG 3.93Å; I94-L113 HydrophobicContact CG1-CD1 4.31Å; L98-L113 HydrophobicContact CD1-CD1 4.2Å; L98-L113 HydrophobicContact CD2-CD1 4.34Å; S109-L113 WeakPolarHBondContact O-CG 3.4Å; S109-L113 PolarHBondContact O-N 3.07Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 2.99Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 2.94Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-I117 WeakPolarHBondContact O-CG1 3.42Å; L113-I117 PolarHBondContact O-N 3.35Å; L113-V125 HydrophobicContact CB-CG1 4.2Å; L113-V125 HydrophobicContact CD2-CG1 4.33Å; L113-L129 HydrophobicContact CD1-CD2 4.18Å; L113-T147 HydrophobicContact CB-CG2 4.23Å; L113-T147 HydrophobicContact CD1-CG2 3.86Å |
| 114 | L | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 174.4 | -63.6 | 172.4 | 0 | 0 | 0 | 111.6 | I110 E111 I117 E118 E150 A151 L154 F155 | I110-L114 HydrophobicContact CG2-CD1 3.8Å; I110-L114 HydrophobicContact CG2-CG 4.17Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.11Å; E111-L114 PolarHBondContact O-N 2.91Å; L114-I117 HydrophobicContact CD2-CD1 4.43Å; L114-I117 WeakPolarHBondContact O-CB 3.37Å; L114-I117 PolarHBondContact O-N 3.4Å; L114-E118 PolarHBondContact O-N 3.49Å; L114-E150 HydrophobicContact CD1-CG 4.36Å; L114-A151 HydrophobicContact CD2-CB 4.12Å; L114-L154 HydrophobicContact CD1-CD1 3.66Å; L114-L154 HydrophobicContact CD2-CD1 3.98Å; L114-L154 HydrophobicContact CG-CD1 4.44Å; L114-F155 HydrophobicContact CB-CE2 4.36Å; L114-F155 HydrophobicContact CD2-CE2 3.91Å; L114-F155 WeakPolarHBondContact O-CZ 3.47Å |
| 115 | M | 92.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 5% | 0.054 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.5 | -33.2 | 173.8 | -166.3 | 59.8 | 62.1 | 0 | 0 | 112.1 | L73 I76 E77 E111 C112 I117 E118 I119 | L73-M115 HydrophobicContact CD1-CB 4.01Å; L73-M115 HydrophobicContact CD1-CG 4.33Å; I76-M115 HydrophobicContact CB-CG 4.29Å; I76-M115 HydrophobicContact CG2-CB 4.12Å; I76-M115 HydrophobicContact CG2-CG 3.7Å; E77-M115 HydrophobicContact CG-CE 3.89Å; E77-M115 HydrophobicContact CG-CG 3.95Å; E77-M115 HydrophobicContact CG-SD 3.98Å; E111-M115 WeakPolarHBondContact O-CB 3.41Å; E111-M115 PolarHBondContact O-N 3.16Å; C112-M115 PolarHBondContact O-N 2.72Å; M115-I117 VanDerWaalsContact C-N 3.29Å; M115-I117 PolarHBondContact O-N 2.71Å; M115-E118 PolarHBondContact O-N 2.85Å; M115-E118 HydrophobicContact SD-CB 4.06Å; M115-E118 HydrophobicContact SD-CG 4.4Å; M115-I119 PolarHBondContact O-N 2.74Å |
| 116 | L | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -30.7 | 169.2 | -73.7 | 175.5 | 0 | 0 | 0 | 112.6 | I76 A86 I89 C90 C112 L113 I119 R121 V125 | I76-L116 HydrophobicContact CD1-CD1 4.5Å; I76-L116 HydrophobicContact CD1-CD2 4.29Å; I76-L116 HydrophobicContact CD1-CG 4.11Å; I76-L116 HydrophobicContact CG1-CD2 4.15Å; I76-L116 HydrophobicContact CG2-CD2 3.73Å; I76-L116 HydrophobicContact CG2-CG 4.14Å; A86-L116 HydrophobicContact CB-CD2 3.81Å; I89-L116 HydrophobicContact CB-CD1 4.2Å; I89-L116 HydrophobicContact CG2-CD1 3.78Å; C90-L116 WeakPolarHBondContact SG-CD1 3.41Å; C112-L116 WeakPolarHBondContact O-CG 3.42Å; C112-L116 PolarHBondContact O-N 2.64Å; L113-L116 PolarHBondContact O-N 2.9Å; L116-I119 HydrophobicContact CD2-CD1 3.87Å; L116-I119 HydrophobicContact CD2-CG1 4.1Å; L116-R121 WeakPolarHBondContact O-CA 3.33Å; L116-R121 WeakPolarHBondContact O-CB 3.27Å; L116-R121 PolarHBondContact O-N 3.46Å; L116-V125 HydrophobicContact CB-CG2 3.64Å |
| 117 | I | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.6 | -48.9 | 167.4 | -67.3 | 164.8 | 0 | 0 | 0 | 110.1 | L113 L114 M115 I119 E120 H122 V125 A151 F155 V159 L232 | L113-I117 WeakPolarHBondContact O-CG1 3.42Å; L113-I117 PolarHBondContact O-N 3.35Å; L114-I117 HydrophobicContact CD2-CD1 4.43Å; L114-I117 WeakPolarHBondContact O-CB 3.37Å; L114-I117 PolarHBondContact O-N 3.4Å; M115-I117 VanDerWaalsContact C-N 3.29Å; M115-I117 PolarHBondContact O-N 2.71Å; I117-I119 VanDerWaalsContact C-N 3.31Å; I117-I119 PolarHBondContact O-N 2.96Å; I117-E120 PolarHBondContact O-N 2.7Å; I117-H122 HydrophobicContact CB-CB 4.26Å; I117-H122 HydrophobicContact CG1-CB 4.09Å; I117-H122 HydrophobicContact CG2-CB 3.88Å; I117-V125 HydrophobicContact CD1-CG1 3.89Å; I117-V125 HydrophobicContact CG1-CB 4.04Å; I117-V125 HydrophobicContact CG1-CG1 3.89Å; I117-V125 HydrophobicContact CG1-CG2 4.23Å; I117-A151 HydrophobicContact CD1-CB 3.69Å; I117-F155 HydrophobicContact CB-CD2 4.34Å; I117-F155 HydrophobicContact CB-CE1 4.44Å; I117-F155 HydrophobicContact CB-CE2 3.86Å; I117-F155 HydrophobicContact CB-CZ 3.92Å; I117-F155 HydrophobicContact CD1-CD2 4.38Å; I117-F155 HydrophobicContact CD1-CE2 4.28Å; I117-F155 HydrophobicContact CG2-CB 4.48Å; I117-F155 HydrophobicContact CG2-CD1 3.7Å; I117-F155 HydrophobicContact CG2-CD2 3.57Å; I117-F155 HydrophobicContact CG2-CE1 3.64Å; I117-F155 HydrophobicContact CG2-CE2 3.51Å; I117-F155 HydrophobicContact CG2-CG 3.66Å; I117-F155 HydrophobicContact CG2-CZ 3.54Å; I117-V159 HydrophobicContact CG2-CG1 3.6Å; I117-L232 HydrophobicContact CG2-CD2 4.16Å; I117-L232 WeakPolarHBondContact O-CD2 3.4Å |
| 118 | E | 88.9 | Confident | 92 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.2 | -40.9 | 177.2 | -71.3 | -157.9 | -152.9 | 0 | 0 | 113.1 | L114 M115 E120 F155 R230 R233 K236 | L114-E118 PolarHBondContact O-N 3.49Å; M115-E118 PolarHBondContact O-N 2.85Å; M115-E118 HydrophobicContact SD-CB 4.06Å; M115-E118 HydrophobicContact SD-CG 4.4Å; E118-E120 PolarHBondContact O-N 3.43Å; E118-F155 HydrophobicContact CG-CE1 3.8Å; E118-F155 HydrophobicContact CG-CZ 3.69Å; E118-R230 IonicContact OE1-CZ 2.74Å; E118-R230 IonicContact OE1-NE 3.67Å; E118-R230 PolarHBondContact OE1-NE 3.14Å; E118-R230 IonicContact OE1-NH2 2.77Å; E118-R230 PolarHBondContact OE1-NH2 3.44Å; E118-R233 WeakPolarHBondContact O-CG 3.42Å; E118-R233 PolarHBondContact O-N 3.09Å; E118-K236 WeakPolarHBondContact OE2-CE 3.47Å; E118-K236 IonicContact OE2-NZ 3.37Å; E118-K236 PolarHBondContact OE2-NZ 3.04Å |
| 119 | I | 88.3 | Confident | 92.2 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 8% | 0.082 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 25.8 | 177.1 | 71.2 | 147.6 | 0 | 0 | 0 | 114.4 | I76 A82 T83 M115 L116 I117 R121 | I76-I119 HydrophobicContact CG2-CD1 3.96Å; I76-I119 HydrophobicContact CG2-CG1 4.07Å; I76-I119 HydrophobicContact CG2-CG2 4.4Å; A82-I119 HydrophobicContact CB-CD1 4.01Å; T83-I119 HydrophobicContact CG2-CD1 4.06Å; M115-I119 PolarHBondContact O-N 2.74Å; L116-I119 HydrophobicContact CD2-CD1 3.87Å; L116-I119 HydrophobicContact CD2-CG1 4.1Å; I117-I119 VanDerWaalsContact C-N 3.31Å; I117-I119 PolarHBondContact O-N 2.96Å; I119-R121 VanDerWaalsContact C-N 3.33Å; I119-R121 HydrophobicContact CD1-CG 4.49Å; I119-R121 PolarHBondContact O-N 2.88Å |
| 120 | E | 87.8 | Confident | 92.2 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 35% | 0.346 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 38.1 | 171.9 | -65.3 | 160.5 | -158.2 | 0 | 0 | 113.5 | I117 E118 L232 S234 | I117-E120 PolarHBondContact O-N 2.7Å; E118-E120 PolarHBondContact O-N 3.43Å; E120-L232 HydrophobicContact CG-CB 4.02Å; E120-L232 HydrophobicContact CG-CD1 4.42Å; E120-L232 HydrophobicContact CG-CD2 4.48Å; E120-S234 WeakPolarHBondContact OE1-CB 3.48Å; E120-S234 PolarHBondContact OE1-N 3.41Å; E120-S234 PolarHBondContact OE1-OG 2.87Å |
| 121 | R | 91 | Very high | 92.1 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | trans | -113.4 | 27.6 | 167.2 | -64.3 | -68.6 | 174.3 | -93.9 | 11.3 | 112 | T83 A86 L116 I119 E123 L124 V125 | T83-R121 PolarHBondContact O-NE 3.33Å; A86-R121 HydrophobicContact CB-CB 4.15Å; A86-R121 HydrophobicContact CB-CG 3.94Å; L116-R121 WeakPolarHBondContact O-CA 3.33Å; L116-R121 WeakPolarHBondContact O-CB 3.27Å; L116-R121 PolarHBondContact O-N 3.46Å; I119-R121 VanDerWaalsContact C-N 3.33Å; I119-R121 HydrophobicContact CD1-CG 4.49Å; I119-R121 PolarHBondContact O-N 2.88Å; R121-E123 PolarHBondContact O-N 3.15Å; R121-L124 PolarHBondContact O-N 2.74Å; R121-V125 WeakPolarHBondContact O-CG2 3.4Å; R121-V125 PolarHBondContact O-N 2.77Å; R121-V125 VanDerWaalsContact O-N 3.08Å | ||
| 122 | H | 89.9 | Confident | 91.9 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | -174.7 | 65.2 | -91.3 | 0 | 0 | 0 | 113.7 | I117 L124 V125 I126 V159 | I117-H122 HydrophobicContact CB-CB 4.26Å; I117-H122 HydrophobicContact CG1-CB 4.09Å; I117-H122 HydrophobicContact CG2-CB 3.88Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-L124 PolarHBondContact O-N 3.27Å; H122-V125 PolarHBondContact O-N 2.82Å; H122-V125 VanDerWaalsContact O-N 3.14Å; H122-I126 WeakPolarHBondContact O-CG1 3.44Å; H122-I126 PolarHBondContact O-N 3.06Å; H122-V159 HydrophobicContact CB-CG1 3.71Å |
| 123 | E | 90.6 | Very high | 91.8 | Very high | 152 Ų | 152 | 35.8 Ų | 35.8 | 71% | 0.71 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -53.4 | -49.8 | 177.9 | -59.1 | -178.3 | 135.1 | 0 | 0 | 111.7 | R121 I126 E127 | R121-E123 PolarHBondContact O-N 3.15Å; E123-I126 PolarHBondContact O-N 3.26Å; E123-E127 WeakPolarHBondContact O-CB 3.1Å; E123-E127 PolarHBondContact O-N 3.15Å |
| 124 | L | 90.7 | Very high | 91.5 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.3 | 173.5 | 157.2 | 0 | 0 | 0 | 112.4 | A86 C90 R121 H122 E128 | A86-L124 HydrophobicContact CB-CD2 4.41Å; C90-L124 HydrophobicContact CB-CD2 3.94Å; C90-L124 WeakPolarHBondContact SG-CD2 3.03Å; R121-L124 PolarHBondContact O-N 2.74Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-L124 PolarHBondContact O-N 3.27Å; L124-E128 WeakPolarHBondContact O-CB 3.26Å; L124-E128 WeakPolarHBondContact O-CG 3.39Å; L124-E128 PolarHBondContact O-N 3.12Å |
| 125 | V | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L113 L116 I117 R121 H122 L129 | L113-V125 HydrophobicContact CB-CG1 4.2Å; L113-V125 HydrophobicContact CD2-CG1 4.33Å; L116-V125 HydrophobicContact CB-CG2 3.64Å; I117-V125 HydrophobicContact CD1-CG1 3.89Å; I117-V125 HydrophobicContact CG1-CB 4.04Å; I117-V125 HydrophobicContact CG1-CG1 3.89Å; I117-V125 HydrophobicContact CG1-CG2 4.23Å; R121-V125 WeakPolarHBondContact O-CG2 3.4Å; R121-V125 PolarHBondContact O-N 2.77Å; R121-V125 VanDerWaalsContact O-N 3.08Å; H122-V125 PolarHBondContact O-N 2.82Å; H122-V125 VanDerWaalsContact O-N 3.14Å; V125-L129 HydrophobicContact CG1-CD1 3.74Å; V125-L129 HydrophobicContact CG1-CG 4.43Å; V125-L129 VanDerWaalsContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CB 3.44Å; V125-L129 WeakPolarHBondContact O-CD1 3.12Å; V125-L129 WeakPolarHBondContact O-CG 3.36Å; V125-L129 PolarHBondContact O-N 3.11Å |
| 126 | I | 92.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.2 | -40.3 | -179.9 | -61.4 | -55.2 | 0 | 0 | 0 | 111.4 | H122 E123 L129 I130 L148 V160 P161 | H122-I126 WeakPolarHBondContact O-CG1 3.44Å; H122-I126 PolarHBondContact O-N 3.06Å; E123-I126 PolarHBondContact O-N 3.26Å; I126-L129 HydrophobicContact CD1-CD1 4.35Å; I126-L129 PolarHBondContact O-N 3.4Å; I126-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CG1 4.44Å; I126-I130 WeakPolarHBondContact O-CB 3.38Å; I126-I130 VanDerWaalsContact O-CG1 3.28Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 3.44Å; I126-L148 HydrophobicContact CD1-CD2 3.75Å; I126-L148 HydrophobicContact CG2-CD2 4.38Å; I126-V160 HydrophobicContact CD1-CB 4.46Å; I126-V160 HydrophobicContact CD1-CG1 3.96Å; I126-V160 HydrophobicContact CD1-CG2 4.06Å; I126-P161 HydrophobicContact CG2-CG 4.47Å |
| 127 | E | 92.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 177.1 | -162.1 | -158.2 | 139.8 | 0 | 0 | 111.8 | E123 I130 K131 | E123-E127 WeakPolarHBondContact O-CB 3.1Å; E123-E127 PolarHBondContact O-N 3.15Å; E127-I130 PolarHBondContact O-N 2.98Å; E127-K131 WeakPolarHBondContact O-CG 3.47Å; E127-K131 PolarHBondContact O-N 2.88Å; E127-K131 WeakPolarHBondContact OE1-CE 3.22Å; E127-K131 IonicContact OE1-NZ 3.26Å; E127-K131 PolarHBondContact OE1-NZ 2.98Å |
| 128 | E | 91.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 176.8 | -70.8 | -68.7 | 115.1 | 0 | 0 | 112.1 | C90 S91 I94 L124 I130 K131 G132 | C90-E128 HydrophobicContact CB-CB 4.3Å; C90-E128 HydrophobicContact CB-CG 4.21Å; S91-E128 WeakPolarHBondContact CB-OE2 3.22Å; I94-E128 HydrophobicContact CD1-CB 3.53Å; L124-E128 WeakPolarHBondContact O-CB 3.26Å; L124-E128 WeakPolarHBondContact O-CG 3.39Å; L124-E128 PolarHBondContact O-N 3.12Å; E128-I130 PolarHBondContact O-N 3.12Å; E128-K131 PolarHBondContact O-N 3.21Å; E128-K131 VanDerWaalsContact OE1-CD 3.3Å; E128-K131 WeakPolarHBondContact OE1-CD 3.4Å; E128-K131 WeakPolarHBondContact OE1-CE 3.49Å; E128-K131 IonicContact OE1-NZ 3.44Å; E128-K131 PolarHBondContact OE1-NZ 2.82Å; E128-G132 PolarHBondContact O-N 3.04Å |
| 129 | L | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.8 | -79.5 | 169.9 | 0 | 0 | 0 | 111.9 | I94 L98 L113 V125 I126 G132 L133 S144 T147 L148 | I94-L129 HydrophobicContact CD1-CD2 4.08Å; I94-L129 HydrophobicContact CD1-CG 4.11Å; I94-L129 HydrophobicContact CG1-CD2 4.18Å; L98-L129 HydrophobicContact CD1-CD2 3.95Å; L113-L129 HydrophobicContact CD1-CD2 4.18Å; V125-L129 HydrophobicContact CG1-CD1 3.74Å; V125-L129 HydrophobicContact CG1-CG 4.43Å; V125-L129 VanDerWaalsContact O-CB 3.3Å; V125-L129 WeakPolarHBondContact O-CB 3.44Å; V125-L129 WeakPolarHBondContact O-CD1 3.12Å; V125-L129 WeakPolarHBondContact O-CG 3.36Å; V125-L129 PolarHBondContact O-N 3.11Å; I126-L129 HydrophobicContact CD1-CD1 4.35Å; I126-L129 PolarHBondContact O-N 3.4Å; L129-G132 WeakPolarHBondContact O-CA 3.46Å; L129-G132 PolarHBondContact O-N 3.34Å; L129-G132 VanDerWaalsContact O-N 3.14Å; L129-L133 PolarHBondContact O-N 3.17Å; L129-S144 PolarHBondContact O-OG 3.19Å; L129-T147 HydrophobicContact CD1-CG2 3.75Å; L129-T147 HydrophobicContact CD2-CG2 4.01Å; L129-L148 HydrophobicContact CB-CD1 4.32Å; L129-L148 HydrophobicContact CB-CD2 3.83Å; L129-L148 HydrophobicContact CB-CG 3.99Å; L129-L148 HydrophobicContact CD1-CD2 3.92Å; L129-L148 HydrophobicContact CD1-CG 4.17Å |
| 130 | I | 92.3 | Very high | 91 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 174.8 | -70.4 | 166.2 | 0 | 0 | 0 | 110.9 | I126 E127 E128 G132 L133 P164 L165 | I126-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CG1 4.44Å; I126-I130 WeakPolarHBondContact O-CB 3.38Å; I126-I130 VanDerWaalsContact O-CG1 3.28Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 3.44Å; E127-I130 PolarHBondContact O-N 2.98Å; E128-I130 PolarHBondContact O-N 3.12Å; I130-G132 PolarHBondContact O-N 2.98Å; I130-L133 VanDerWaalsContact O-CB 3.3Å; I130-L133 WeakPolarHBondContact O-CB 3.49Å; I130-L133 PolarHBondContact O-N 3.22Å; I130-P164 HydrophobicContact CD1-CB 3.86Å; I130-L165 HydrophobicContact CD1-CD2 4.39Å; I130-L165 HydrophobicContact CG1-CD2 4.23Å |
| 131 | K | 91.1 | Very high | 91.3 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 170.3 | -66.8 | 169.8 | -162.7 | 166.5 | 0 | 111.4 | E127 E128 L133 S134 | E127-K131 WeakPolarHBondContact O-CG 3.47Å; E127-K131 PolarHBondContact O-N 2.88Å; E127-K131 WeakPolarHBondContact OE1-CE 3.22Å; E127-K131 IonicContact OE1-NZ 3.26Å; E127-K131 PolarHBondContact OE1-NZ 2.98Å; E128-K131 PolarHBondContact O-N 3.21Å; E128-K131 VanDerWaalsContact OE1-CD 3.3Å; E128-K131 WeakPolarHBondContact OE1-CD 3.4Å; E128-K131 WeakPolarHBondContact OE1-CE 3.49Å; E128-K131 IonicContact OE1-NZ 3.44Å; E128-K131 PolarHBondContact OE1-NZ 2.82Å; K131-L133 PolarHBondContact O-N 2.69Å; K131-S134 PolarHBondContact O-N 2.79Å |
| 132 | G | 91 | Very high | 91.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.9 | -36.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E128 L129 I130 S134 T135 | E128-G132 PolarHBondContact O-N 3.04Å; L129-G132 WeakPolarHBondContact O-CA 3.46Å; L129-G132 PolarHBondContact O-N 3.34Å; L129-G132 VanDerWaalsContact O-N 3.14Å; I130-G132 PolarHBondContact O-N 2.98Å; G132-S134 PolarHBondContact O-N 3.4Å; G132-S134 VanDerWaalsContact O-N 3.17Å; G132-T135 VanDerWaalsContact O-CB 3.27Å; G132-T135 WeakPolarHBondContact O-CB 3.27Å; G132-T135 PolarHBondContact O-N 3.45Å; G132-T135 VanDerWaalsContact O-N 3.09Å; G132-T135 PolarHBondContact O-OG1 3.21Å |
| 133 | L | 92.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.2 | 177 | -55.8 | 176.4 | 0 | 0 | 0 | 114 | L129 I130 K131 V141 L145 L148 E168 R171 L172 | L129-L133 PolarHBondContact O-N 3.17Å; I130-L133 VanDerWaalsContact O-CB 3.3Å; I130-L133 WeakPolarHBondContact O-CB 3.49Å; I130-L133 PolarHBondContact O-N 3.22Å; K131-L133 PolarHBondContact O-N 2.69Å; L133-V141 HydrophobicContact CD2-CG1 4.27Å; L133-L145 HydrophobicContact CD2-CD2 3.76Å; L133-L145 HydrophobicContact CD2-CG 3.65Å; L133-L148 HydrophobicContact CD1-CD1 3.91Å; L133-L148 HydrophobicContact CD2-CD1 4.19Å; L133-L148 HydrophobicContact CG-CD1 4.29Å; L133-E168 HydrophobicContact CD1-CB 4.35Å; L133-E168 HydrophobicContact CD1-CG 4.29Å; L133-R171 PolarHBondContact O-NH1 3.18Å; L133-R171 PolarHBondContact O-NH2 3.36Å; L133-L172 HydrophobicContact CB-CD1 4.3Å; L133-L172 HydrophobicContact CD1-CD1 4.08Å; L133-L172 HydrophobicContact CD2-CD1 4.25Å; L133-L172 HydrophobicContact CG-CD1 4.45Å |
| 134 | S | 88.1 | Confident | 91.8 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.8 | 177.8 | -66.4 | 0 | 0 | 0 | 0 | 113.3 | K131 G132 | K131-S134 PolarHBondContact O-N 2.79Å; G132-S134 PolarHBondContact O-N 3.4Å; G132-S134 VanDerWaalsContact O-N 3.17Å |
| 135 | T | 89.3 | Confident | 92 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 36% | 0.362 | 22% | 0.223 | S | C | . | . | trans | -75.6 | 136.4 | -178.4 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | G132 N137 V140 V141 | G132-T135 VanDerWaalsContact O-CB 3.27Å; G132-T135 WeakPolarHBondContact O-CB 3.27Å; G132-T135 PolarHBondContact O-N 3.45Å; G132-T135 VanDerWaalsContact O-N 3.09Å; G132-T135 PolarHBondContact O-OG1 3.21Å; T135-N137 HydrophobicContact CG2-CB 4.07Å; T135-N137 PolarHBondContact O-N 2.91Å; T135-V140 HydrophobicContact CG2-CB 4.38Å; T135-V140 HydrophobicContact CG2-CG1 4.3Å; T135-V141 WeakPolarHBondContact O-CG2 3.03Å | ||
| 136 | K | 86.5 | Confident | 92.1 | Very high | 218 Ų | 218 | 46 Ų | 46 | 95% | 0.948 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -64.8 | 1.3 | 175 | -63.5 | -175.5 | 180 | 179.7 | 0 | 115.3 | ||
| 137 | N | 90.1 | Very high | 92.2 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | trans | -106 | 107.5 | -179.8 | -179.9 | -7.3 | 0 | 0 | 0 | 109.3 | T135 K139 V140 V141 | T135-N137 HydrophobicContact CG2-CB 4.07Å; T135-N137 PolarHBondContact O-N 2.91Å; N137-K139 PolarHBondContact O-N 2.64Å; N137-K139 PolarHBondContact OD1-N 3.23Å; N137-V140 HydrophobicContact CB-CB 4.32Å; N137-V140 HydrophobicContact CB-CG2 4.12Å; N137-V140 WeakPolarHBondContact O-CB 3.39Å; N137-V140 PolarHBondContact O-N 3.06Å; N137-V141 PolarHBondContact O-N 3.49Å | ||
| 138 | P | 90.4 | Very high | 92.4 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -26.8 | -173.2 | 25.1 | -34.2 | 0 | 0 | 0 | 113.1 | V140 V141 V142 D177 I180 | P138-V140 VanDerWaalsContact C-N 3.31Å; P138-V140 PolarHBondContact O-N 2.75Å; P138-V141 PolarHBondContact O-N 2.99Å; P138-V142 WeakPolarHBondContact O-CG2 3.45Å; P138-V142 PolarHBondContact O-N 2.64Å; P138-D177 HydrophobicContact CB-CB 4.19Å; P138-I180 HydrophobicContact CB-CD1 3.84Å; P138-I180 HydrophobicContact CB-CG1 4.4Å |
| 139 | K | 90.9 | Very high | 92.5 | Very high | 113 Ų | 113 | 41.1 Ų | 41.1 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66 | -34.2 | 175.2 | -61.8 | -176.9 | 179.8 | 176.8 | 0 | 112.2 | N137 G143 | N137-K139 PolarHBondContact O-N 2.64Å; N137-K139 PolarHBondContact OD1-N 3.23Å; K139-G143 PolarHBondContact O-N 2.88Å |
| 140 | V | 92.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.1 | -45.7 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | I94 T135 N137 P138 V142 G143 S144 | I94-V140 HydrophobicContact CG2-CG1 4.21Å; I94-V140 VanDerWaalsContact O-CG1 3.31Å; I94-V140 WeakPolarHBondContact O-CG1 3.32Å; T135-V140 HydrophobicContact CG2-CB 4.38Å; T135-V140 HydrophobicContact CG2-CG1 4.3Å; N137-V140 HydrophobicContact CB-CB 4.32Å; N137-V140 HydrophobicContact CB-CG2 4.12Å; N137-V140 WeakPolarHBondContact O-CB 3.39Å; N137-V140 PolarHBondContact O-N 3.06Å; P138-V140 VanDerWaalsContact C-N 3.31Å; P138-V140 PolarHBondContact O-N 2.75Å; V140-V142 PolarHBondContact O-N 3.14Å; V140-G143 CarbonylContact O-C 3.54Å; V140-G143 WeakPolarHBondContact O-CA 3.19Å; V140-G143 PolarHBondContact O-N 3.42Å; V140-G143 VanDerWaalsContact O-N 3.09Å; V140-S144 PolarHBondContact O-N 3.2Å; V140-S144 PolarHBondContact O-OG 3.25Å |
| 141 | V | 94.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | L133 T135 N137 P138 G143 S144 L145 L172 I180 | L133-V141 HydrophobicContact CD2-CG1 4.27Å; T135-V141 WeakPolarHBondContact O-CG2 3.03Å; N137-V141 PolarHBondContact O-N 3.49Å; P138-V141 PolarHBondContact O-N 2.99Å; V141-G143 VanDerWaalsContact C-N 3.33Å; V141-G143 PolarHBondContact O-N 3.32Å; V141-S144 PolarHBondContact O-N 2.8Å; V141-L145 HydrophobicContact CG1-CD1 4.15Å; V141-L145 WeakPolarHBondContact O-CB 3.48Å; V141-L145 WeakPolarHBondContact O-CG 3.46Å; V141-L145 PolarHBondContact O-N 3.37Å; V141-L172 HydrophobicContact CG1-CD2 3.97Å; V141-I180 HydrophobicContact CB-CD1 3.82Å; V141-I180 HydrophobicContact CB-CG1 4.11Å; V141-I180 HydrophobicContact CG1-CD1 3.76Å; V141-I180 HydrophobicContact CG1-CG1 3.89Å; V141-I180 HydrophobicContact CG1-CG2 4.02Å; V141-I180 HydrophobicContact CG2-CD1 4.32Å |
| 142 | V | 94.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | P138 V140 Q146 I180 E183 | P138-V142 WeakPolarHBondContact O-CG2 3.45Å; P138-V142 PolarHBondContact O-N 2.64Å; V140-V142 PolarHBondContact O-N 3.14Å; V142-Q146 WeakPolarHBondContact O-CB 3.43Å; V142-Q146 PolarHBondContact O-N 2.96Å; V142-I180 HydrophobicContact CG2-CB 4.48Å; V142-I180 HydrophobicContact CG2-CG1 3.73Å; V142-E183 HydrophobicContact CG1-CB 4.42Å; V142-E183 HydrophobicContact CG1-CG 4.38Å |
| 143 | G | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K139 V140 V141 Q146 T147 | K139-G143 PolarHBondContact O-N 2.88Å; V140-G143 CarbonylContact O-C 3.54Å; V140-G143 WeakPolarHBondContact O-CA 3.19Å; V140-G143 PolarHBondContact O-N 3.42Å; V140-G143 VanDerWaalsContact O-N 3.09Å; V141-G143 VanDerWaalsContact C-N 3.33Å; V141-G143 PolarHBondContact O-N 3.32Å; G143-Q146 PolarHBondContact O-N 3.09Å; G143-T147 PolarHBondContact O-N 3.3Å; G143-T147 PolarHBondContact O-OG1 3.25Å |
| 144 | S | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.3 | -71.8 | 0 | 0 | 0 | 0 | 112 | L129 V140 V141 T147 L148 | L129-S144 PolarHBondContact O-OG 3.19Å; V140-S144 PolarHBondContact O-N 3.2Å; V140-S144 PolarHBondContact O-OG 3.25Å; V141-S144 PolarHBondContact O-N 2.8Å; S144-T147 PolarHBondContact O-N 2.85Å; S144-L148 WeakPolarHBondContact O-CB 3.39Å; S144-L148 VanDerWaalsContact O-CG 3.29Å; S144-L148 WeakPolarHBondContact O-CG 3.3Å; S144-L148 PolarHBondContact O-N 3.09Å |
| 145 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 175.4 | -75.8 | 169.7 | 0 | 0 | 0 | 112.5 | L133 V141 T147 L148 R149 L172 I180 E183 T184 L187 | L133-L145 HydrophobicContact CD2-CD2 3.76Å; L133-L145 HydrophobicContact CD2-CG 3.65Å; V141-L145 HydrophobicContact CG1-CD1 4.15Å; V141-L145 WeakPolarHBondContact O-CB 3.48Å; V141-L145 WeakPolarHBondContact O-CG 3.46Å; V141-L145 PolarHBondContact O-N 3.37Å; L145-T147 PolarHBondContact O-N 3.32Å; L145-L148 PolarHBondContact O-N 2.61Å; L145-R149 PolarHBondContact O-N 3.23Å; L145-L172 HydrophobicContact CD2-CD1 4.17Å; L145-I180 HydrophobicContact CD1-CG2 4.1Å; L145-E183 HydrophobicContact CB-CB 4.09Å; L145-E183 HydrophobicContact CB-CG 3.63Å; L145-E183 HydrophobicContact CD1-CB 4.18Å; L145-T184 WeakPolarHBondContact CD1-OG1 3.48Å; L145-L187 HydrophobicContact CD2-CD2 3.65Å |
| 146 | Q | 94.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 19% | 0.192 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.7 | -51.4 | 173.3 | 178 | 175.3 | -11.8 | 0 | 0 | 110.5 | I110 V142 G143 L148 R149 E150 E183 | I110-Q146 HydrophobicContact CD1-CG 4.12Å; V142-Q146 WeakPolarHBondContact O-CB 3.43Å; V142-Q146 PolarHBondContact O-N 2.96Å; G143-Q146 PolarHBondContact O-N 3.09Å; Q146-L148 VanDerWaalsContact C-N 3.35Å; Q146-L148 PolarHBondContact O-N 3.03Å; Q146-R149 PolarHBondContact O-N 3.25Å; Q146-E150 PolarHBondContact NE2-OE2 3.3Å; Q146-E150 WeakPolarHBondContact O-CB 3.46Å; Q146-E150 PolarHBondContact O-N 2.95Å; Q146-E183 WeakPolarHBondContact CA-OE1 3.34Å; Q146-E183 WeakPolarHBondContact CB-OE1 3.47Å |
| 147 | T | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | -176.4 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | I110 L113 L129 G143 S144 L145 E150 A151 | I110-T147 HydrophobicContact CG2-CG2 4.5Å; L113-T147 HydrophobicContact CB-CG2 4.23Å; L113-T147 HydrophobicContact CD1-CG2 3.86Å; L129-T147 HydrophobicContact CD1-CG2 3.75Å; L129-T147 HydrophobicContact CD2-CG2 4.01Å; G143-T147 PolarHBondContact O-N 3.3Å; G143-T147 PolarHBondContact O-OG1 3.25Å; S144-T147 PolarHBondContact O-N 2.85Å; L145-T147 PolarHBondContact O-N 3.32Å; T147-E150 PolarHBondContact O-N 2.69Å; T147-A151 VanDerWaalsContact O-CB 3.24Å; T147-A151 WeakPolarHBondContact O-CB 3.4Å; T147-A151 PolarHBondContact O-N 2.94Å |
| 148 | L | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.2 | -74.4 | 167.8 | 0 | 0 | 0 | 112.2 | I126 L129 L133 S144 L145 Q146 L152 L165 L187 | I126-L148 HydrophobicContact CD1-CD2 3.75Å; I126-L148 HydrophobicContact CG2-CD2 4.38Å; L129-L148 HydrophobicContact CB-CD1 4.32Å; L129-L148 HydrophobicContact CB-CD2 3.83Å; L129-L148 HydrophobicContact CB-CG 3.99Å; L129-L148 HydrophobicContact CD1-CD2 3.92Å; L129-L148 HydrophobicContact CD1-CG 4.17Å; L133-L148 HydrophobicContact CD1-CD1 3.91Å; L133-L148 HydrophobicContact CD2-CD1 4.19Å; L133-L148 HydrophobicContact CG-CD1 4.29Å; S144-L148 WeakPolarHBondContact O-CB 3.39Å; S144-L148 VanDerWaalsContact O-CG 3.29Å; S144-L148 WeakPolarHBondContact O-CG 3.3Å; S144-L148 PolarHBondContact O-N 3.09Å; L145-L148 PolarHBondContact O-N 2.61Å; Q146-L148 VanDerWaalsContact C-N 3.35Å; Q146-L148 PolarHBondContact O-N 3.03Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.2Å; L148-L152 PolarHBondContact O-N 3.37Å; L148-L165 HydrophobicContact CD1-CD2 4.01Å; L148-L165 HydrophobicContact CD2-CD2 4.41Å; L148-L187 HydrophobicContact CB-CD1 4.46Å; L148-L187 HydrophobicContact CB-CD2 4.13Å |
| 149 | R | 95.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 22 Ų | 22 | 20% | 0.196 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 174 | -177.6 | -171.2 | 58.3 | -123.6 | -10.1 | 111.3 | L145 Q146 L152 N153 E183 L187 E190 | L145-R149 PolarHBondContact O-N 3.23Å; Q146-R149 PolarHBondContact O-N 3.25Å; R149-L152 PolarHBondContact O-N 3.02Å; R149-N153 WeakPolarHBondContact O-CB 3.47Å; R149-N153 PolarHBondContact O-N 2.78Å; R149-E183 IonicContact CZ-OE1 3.01Å; R149-E183 VanDerWaalsContact CZ-OE1 3.29Å; R149-E183 IonicContact CZ-OE2 2.83Å; R149-E183 IonicContact NH1-OE1 2.91Å; R149-E183 PolarHBondContact NH1-OE1 3.13Å; R149-E183 IonicContact NH1-OE2 2.7Å; R149-E183 PolarHBondContact NH1-OE2 2.93Å; R149-E183 IonicContact NH2-OE1 3.95Å; R149-E183 PolarHBondContact NH2-OE1 3.32Å; R149-E183 IonicContact NH2-OE2 3.17Å; R149-L187 HydrophobicContact CB-CB 4.42Å; R149-L187 HydrophobicContact CB-CD1 3.93Å; R149-E190 HydrophobicContact CG-CB 3.75Å; R149-E190 HydrophobicContact CG-CG 3.93Å |
| 150 | E | 93.7 | Very high | 91.5 | Very high | 64 Ų | 64 | 16.6 Ų | 16.6 | 30% | 0.299 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -67.4 | -41.1 | -176.9 | -160.8 | 157.3 | 174.2 | 0 | 0 | 111.1 | L114 Q146 T147 N153 L154 | L114-E150 HydrophobicContact CD1-CG 4.36Å; Q146-E150 PolarHBondContact NE2-OE2 3.3Å; Q146-E150 WeakPolarHBondContact O-CB 3.46Å; Q146-E150 PolarHBondContact O-N 2.95Å; T147-E150 PolarHBondContact O-N 2.69Å; E150-N153 PolarHBondContact O-N 3.07Å; E150-L154 HydrophobicContact CG-CD1 4.02Å; E150-L154 WeakPolarHBondContact O-CB 3.34Å; E150-L154 WeakPolarHBondContact O-CD1 3.47Å; E150-L154 WeakPolarHBondContact O-CG 3.5Å; E150-L154 PolarHBondContact O-N 3.35Å |
| 151 | A | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L114 I117 T147 L154 F155 V160 | L114-A151 HydrophobicContact CD2-CB 4.12Å; I117-A151 HydrophobicContact CD1-CB 3.69Å; T147-A151 VanDerWaalsContact O-CB 3.24Å; T147-A151 WeakPolarHBondContact O-CB 3.4Å; T147-A151 PolarHBondContact O-N 2.94Å; A151-L154 PolarHBondContact O-N 2.98Å; A151-F155 WeakPolarHBondContact O-CB 3.25Å; A151-F155 PolarHBondContact O-N 3.1Å; A151-V160 HydrophobicContact CB-CG2 3.81Å |
| 152 | L | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 178.7 | 179.8 | 58.9 | 0 | 0 | 0 | 111.8 | L148 R149 G156 P157 V160 I162 L187 E190 V191 W194 | L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.2Å; L148-L152 PolarHBondContact O-N 3.37Å; R149-L152 PolarHBondContact O-N 3.02Å; L152-G156 WeakPolarHBondContact O-CA 3.3Å; L152-G156 PolarHBondContact O-N 3.22Å; L152-P157 HydrophobicContact CD1-CB 4.08Å; L152-V160 HydrophobicContact CB-CB 4.3Å; L152-V160 HydrophobicContact CB-CG1 4.14Å; L152-V160 HydrophobicContact CD1-CB 4.11Å; L152-V160 HydrophobicContact CD1-CG1 4.42Å; L152-I162 HydrophobicContact CD1-CG1 4.43Å; L152-L187 HydrophobicContact CD2-CD1 4.3Å; L152-E190 HydrophobicContact CB-CG 4.26Å; L152-E190 HydrophobicContact CD2-CB 4.47Å; L152-E190 HydrophobicContact CD2-CG 3.89Å; L152-E190 HydrophobicContact CG-CG 3.97Å; L152-V191 HydrophobicContact CD2-CB 4.49Å; L152-V191 HydrophobicContact CD2-CG2 3.58Å; L152-W194 HydrophobicContact CD1-CG 4.44Å; L152-W194 WeakPolarHBondContact O-CZ2 3.47Å; L152-W194 PolarHBondContact O-NE1 2.89Å |
| 153 | N | 91.2 | Very high | 90.2 | Very high | 44 Ų | 44 | 22.7 Ų | 22.7 | 24% | 0.235 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 175.7 | 177.4 | 47.2 | 0 | 0 | 0 | 112.9 | R149 E150 E190 R193 | R149-N153 WeakPolarHBondContact O-CB 3.47Å; R149-N153 PolarHBondContact O-N 2.78Å; E150-N153 PolarHBondContact O-N 3.07Å; N153-E190 WeakPolarHBondContact CA-OE1 3.31Å; N153-E190 HydrophobicContact CB-CG 4.43Å; N153-E190 WeakPolarHBondContact CB-OE1 3.48Å; N153-R193 PolarHBondContact OD1-NH1 3.48Å; N153-R193 PolarHBondContact OD1-NH2 3.42Å; N153-R193 VanDerWaalsContact OD1-NH2 3.09Å |
| 154 | L | 91.6 | Very high | 89.8 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 13% | 0.131 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -81.5 | -42.4 | -175.1 | -67.2 | 169.2 | 0 | 0 | 0 | 112.7 | L114 E150 A151 L229 R230 | L114-L154 HydrophobicContact CD1-CD1 3.66Å; L114-L154 HydrophobicContact CD2-CD1 3.98Å; L114-L154 HydrophobicContact CG-CD1 4.44Å; E150-L154 HydrophobicContact CG-CD1 4.02Å; E150-L154 WeakPolarHBondContact O-CB 3.34Å; E150-L154 WeakPolarHBondContact O-CD1 3.47Å; E150-L154 WeakPolarHBondContact O-CG 3.5Å; E150-L154 PolarHBondContact O-N 3.35Å; A151-L154 PolarHBondContact O-N 2.98Å; L154-L229 HydrophobicContact CD2-CB 3.93Å; L154-L229 HydrophobicContact CD2-CD1 4.24Å; L154-L229 PolarHBondContact O-N 3.17Å; L154-R230 HydrophobicContact CB-CB 4.34Å; L154-R230 HydrophobicContact CB-CG 4.31Å; L154-R230 HydrophobicContact CD2-CG 4.39Å; L154-R230 PolarHBondContact O-N 3.16Å |
| 155 | F | 90.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -109.5 | -13.9 | -173.2 | -62.3 | -83.7 | 0 | 0 | 0 | 114.5 | L114 I117 E118 A151 V159 R228 R230 | L114-F155 HydrophobicContact CB-CE2 4.36Å; L114-F155 HydrophobicContact CD2-CE2 3.91Å; L114-F155 WeakPolarHBondContact O-CZ 3.47Å; I117-F155 HydrophobicContact CB-CD2 4.34Å; I117-F155 HydrophobicContact CB-CE1 4.44Å; I117-F155 HydrophobicContact CB-CE2 3.86Å; I117-F155 HydrophobicContact CB-CZ 3.92Å; I117-F155 HydrophobicContact CD1-CD2 4.38Å; I117-F155 HydrophobicContact CD1-CE2 4.28Å; I117-F155 HydrophobicContact CG2-CB 4.48Å; I117-F155 HydrophobicContact CG2-CD1 3.7Å; I117-F155 HydrophobicContact CG2-CD2 3.57Å; I117-F155 HydrophobicContact CG2-CE1 3.64Å; I117-F155 HydrophobicContact CG2-CE2 3.51Å; I117-F155 HydrophobicContact CG2-CG 3.66Å; I117-F155 HydrophobicContact CG2-CZ 3.54Å; E118-F155 HydrophobicContact CG-CE1 3.8Å; E118-F155 HydrophobicContact CG-CZ 3.69Å; A151-F155 WeakPolarHBondContact O-CB 3.25Å; A151-F155 PolarHBondContact O-N 3.1Å; F155-V159 HydrophobicContact CB-CB 3.81Å; F155-V159 HydrophobicContact CB-CG1 3.9Å; F155-V159 HydrophobicContact CB-CG2 4.14Å; F155-V159 HydrophobicContact CG-CG1 4.34Å; F155-R228 WeakPolarHBondContact O-CD 3.46Å; F155-R228 WeakPolarHBondContact O-CG 3.4Å; F155-R228 PolarHBondContact O-NE 3.34Å; F155-R230 HydrophobicContact CD1-CB 3.89Å; F155-R230 WeakPolarHBondContact CD1-O 3.37Å; F155-R230 HydrophobicContact CE1-CB 3.42Å; F155-R230 VanDerWaalsContact CE1-CB 3.42Å; F155-R230 HydrophobicContact CE2-CB 4.19Å; F155-R230 HydrophobicContact CG-CB 4.45Å; F155-R230 HydrophobicContact CZ-CB 3.6Å; F155-R230 HydrophobicContact CZ-CG 4.44Å |
| 156 | G | 87.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | 72.4 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L152 T158 V159 V160 | L152-G156 WeakPolarHBondContact O-CA 3.3Å; L152-G156 PolarHBondContact O-N 3.22Å; G156-T158 PolarHBondContact O-N 2.83Å; G156-V159 PolarHBondContact O-N 3.02Å; G156-V160 PolarHBondContact O-N 3.46Å | ||
| 157 | P | 84.3 | Confident | 88.8 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 7% | 0.071 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.2 | -161.4 | 31.3 | -40 | 0 | 0 | 0 | 116 | L152 V160 I162 W194 V264 | L152-P157 HydrophobicContact CD1-CB 4.08Å; P157-V160 CarbonylContact C-O 3.54Å; P157-V160 WeakPolarHBondContact CA-O 3.36Å; P157-V160 CarbonylContact O-C 3.49Å; P157-I162 HydrophobicContact CB-CD1 3.74Å; P157-I162 HydrophobicContact CB-CG1 3.96Å; P157-W194 HydrophobicContact CG-CB 4.27Å; P157-W194 HydrophobicContact CG-CD2 4.23Å; P157-W194 HydrophobicContact CG-CE3 3.96Å; P157-W194 HydrophobicContact CG-CG 4.38Å; P157-V264 HydrophobicContact CB-CG2 3.66Å; P157-V264 HydrophobicContact CG-CG2 3.24Å |
| 158 | T | 78.1 | Confident | 88.5 | Confident | 69 Ų | 69 | 35.2 Ų | 35.2 | 42% | 0.423 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -27.8 | 172.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | G156 R228 D262 | G156-T158 PolarHBondContact O-N 2.83Å; T158-R228 VanDerWaalsContact OG1-CZ 3.3Å; T158-R228 PolarHBondContact OG1-NH2 3.29Å; T158-D262 HydrophobicContact CG2-CB 3.82Å |
| 159 | V | 84.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -33.4 | 174.2 | -177 | 0 | 0 | 0 | 0 | 110.9 | I117 H122 F155 G156 P161 L232 | I117-V159 HydrophobicContact CG2-CG1 3.6Å; H122-V159 HydrophobicContact CB-CG1 3.71Å; F155-V159 HydrophobicContact CB-CB 3.81Å; F155-V159 HydrophobicContact CB-CG1 3.9Å; F155-V159 HydrophobicContact CB-CG2 4.14Å; F155-V159 HydrophobicContact CG-CG1 4.34Å; G156-V159 PolarHBondContact O-N 3.02Å; V159-P161 WeakPolarHBondContact O-CD 3.39Å; V159-L232 HydrophobicContact CG1-CD2 4.02Å; V159-L232 HydrophobicContact CG2-CD1 4.26Å; V159-L232 HydrophobicContact CG2-CD2 4.4Å; V159-L232 HydrophobicContact CG2-CG 4.21Å |
| 160 | V | 88.5 | Confident | 88 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -110.9 | 89 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | I126 A151 L152 G156 P157 I162 | I126-V160 HydrophobicContact CD1-CB 4.46Å; I126-V160 HydrophobicContact CD1-CG1 3.96Å; I126-V160 HydrophobicContact CD1-CG2 4.06Å; A151-V160 HydrophobicContact CB-CG2 3.81Å; L152-V160 HydrophobicContact CB-CB 4.3Å; L152-V160 HydrophobicContact CB-CG1 4.14Å; L152-V160 HydrophobicContact CD1-CB 4.11Å; L152-V160 HydrophobicContact CD1-CG1 4.42Å; G156-V160 PolarHBondContact O-N 3.46Å; P157-V160 CarbonylContact C-O 3.54Å; P157-V160 WeakPolarHBondContact CA-O 3.36Å; P157-V160 CarbonylContact O-C 3.49Å; V160-I162 PolarHBondContact O-N 3.3Å |
| 161 | P | 83.4 | Confident | 87.9 | Confident | 59 Ų | 59 | 36.2 Ų | 36.2 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | trans | -63.1 | 123.1 | -175.6 | 24.6 | -34.3 | 0 | 0 | 0 | 111.1 | I126 V159 P164 | I126-P161 HydrophobicContact CG2-CG 4.47Å; V159-P161 WeakPolarHBondContact O-CD 3.39Å; P161-P164 WeakPolarHBondContact O-CD 3.36Å | ||
| 162 | I | 86.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79.3 | -29.8 | -175.2 | -48 | 177 | 0 | 0 | 0 | 112.3 | L152 P157 V160 P164 L165 F166 V191 I195 M269 | L152-I162 HydrophobicContact CD1-CG1 4.43Å; P157-I162 HydrophobicContact CB-CD1 3.74Å; P157-I162 HydrophobicContact CB-CG1 3.96Å; V160-I162 PolarHBondContact O-N 3.3Å; I162-P164 VanDerWaalsContact O-N 3.17Å; I162-L165 WeakPolarHBondContact O-CB 3.42Å; I162-L165 PolarHBondContact O-N 2.98Å; I162-F166 HydrophobicContact CG2-CD2 3.75Å; I162-F166 HydrophobicContact CG2-CE2 3.43Å; I162-F166 VanDerWaalsContact CG2-CE2 3.43Å; I162-F166 HydrophobicContact CG2-CZ 4.45Å; I162-V191 HydrophobicContact CD1-CG1 4.32Å; I162-V191 HydrophobicContact CD1-CG2 4.42Å; I162-V191 HydrophobicContact CG2-CB 4.38Å; I162-V191 HydrophobicContact CG2-CG1 3.76Å; I162-V191 HydrophobicContact CG2-CG2 3.66Å; I162-I195 HydrophobicContact CD1-CG1 4.3Å; I162-I195 HydrophobicContact CD1-CG2 3.85Å; I162-M269 HydrophobicContact CB-CE 3.98Å; I162-M269 HydrophobicContact CG2-CE 4.14Å |
| 163 | K | 83.4 | Confident | 87.9 | Confident | 100 Ų | 100 | 36.6 Ų | 36.6 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -40.4 | -174.6 | -70.5 | -170.9 | -171.6 | -168.2 | 0 | 114.6 | D268 M269 | K163-D268 WeakPolarHBondContact CE-O 3.4Å; K163-D268 PolarHBondContact NZ-O 3.19Å; K163-D268 IonicContact NZ-OD2 2.69Å; K163-D268 PolarHBondContact NZ-OD2 3.45Å; K163-M269 HydrophobicContact CB-CE 4.47Å; K163-M269 HydrophobicContact CG-CE 3.76Å; K163-M269 HydrophobicContact CG-CG 4.17Å |
| 164 | P | 84.9 | Confident | 87.8 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -38.4 | 173.4 | -24 | 35.8 | 0 | 0 | 0 | 114.3 | I130 P161 I162 F166 K167 | I130-P164 HydrophobicContact CD1-CB 3.86Å; P161-P164 WeakPolarHBondContact O-CD 3.36Å; I162-P164 VanDerWaalsContact O-N 3.17Å; P164-F166 VanDerWaalsContact C-N 3.31Å; P164-F166 PolarHBondContact O-N 3.34Å; P164-K167 WeakPolarHBondContact O-CB 3.11Å; P164-K167 PolarHBondContact O-N 3.42Å; P164-K167 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 89.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -36.2 | -173.6 | -56.7 | 179.3 | 0 | 0 | 0 | 112.3 | I130 L148 I162 K167 E168 F169 L187 | I130-L165 HydrophobicContact CD1-CD2 4.39Å; I130-L165 HydrophobicContact CG1-CD2 4.23Å; L148-L165 HydrophobicContact CD1-CD2 4.01Å; L148-L165 HydrophobicContact CD2-CD2 4.41Å; I162-L165 WeakPolarHBondContact O-CB 3.42Å; I162-L165 PolarHBondContact O-N 2.98Å; L165-K167 PolarHBondContact O-N 2.67Å; L165-E168 PolarHBondContact O-N 3.01Å; L165-F169 HydrophobicContact CB-CE1 3.94Å; L165-F169 HydrophobicContact CB-CE2 4.22Å; L165-F169 HydrophobicContact CB-CZ 3.65Å; L165-F169 WeakPolarHBondContact O-CD1 3.39Å; L165-F169 WeakPolarHBondContact O-CG 3.22Å; L165-F169 PolarHBondContact O-N 2.79Å; L165-F169 VanDerWaalsContact O-N 3.08Å; L165-L187 HydrophobicContact CD1-CD1 4.48Å |
| 166 | F | 87.4 | Confident | 87.8 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.7 | -30.9 | 176.2 | -84.7 | -74.6 | 0 | 0 | 0 | 113.9 | I162 P164 E168 F169 V191 I195 T199 L202 L203 M269 | I162-F166 HydrophobicContact CG2-CD2 3.75Å; I162-F166 HydrophobicContact CG2-CE2 3.43Å; I162-F166 VanDerWaalsContact CG2-CE2 3.43Å; I162-F166 HydrophobicContact CG2-CZ 4.45Å; P164-F166 VanDerWaalsContact C-N 3.31Å; P164-F166 PolarHBondContact O-N 3.34Å; F166-E168 VanDerWaalsContact C-N 3.31Å; F166-E168 PolarHBondContact O-N 3.43Å; F166-F169 HydrophobicContact CB-CD2 4.45Å; F166-F169 AromaticContact CD1-CD2 3.69Å; F166-F169 HydrophobicContact CD1-CD2 3.69Å; F166-F169 AromaticContact CD1-CE2 3.94Å; F166-F169 HydrophobicContact CD1-CE2 3.94Å; F166-F169 HydrophobicContact CD2-CE2 4.44Å; F166-F169 HydrophobicContact CE1-CD2 4.08Å; F166-F169 HydrophobicContact CE1-CE2 4.06Å; F166-F169 HydrophobicContact CG-CD2 4.12Å; F166-F169 HydrophobicContact CG-CE2 4.13Å; F166-F169 HydrophobicContact CZ-CE2 4.37Å; F166-V191 HydrophobicContact CE2-CG1 4Å; F166-V191 HydrophobicContact CZ-CG1 3.76Å; F166-I195 HydrophobicContact CE2-CD1 3.99Å; F166-I195 HydrophobicContact CZ-CD1 3.93Å; F166-T199 HydrophobicContact CE1-CG2 4.38Å; F166-T199 HydrophobicContact CZ-CG2 4.16Å; F166-L202 HydrophobicContact CD1-CB 3.73Å; F166-L202 HydrophobicContact CD2-CD1 4.22Å; F166-L202 HydrophobicContact CE1-CB 3.4Å; F166-L202 HydrophobicContact CE1-CD1 4.17Å; F166-L202 HydrophobicContact CE1-CG 4.43Å; F166-L202 HydrophobicContact CE2-CB 4.32Å; F166-L202 HydrophobicContact CE2-CD1 3.6Å; F166-L202 HydrophobicContact CG-CB 4.35Å; F166-L202 HydrophobicContact CZ-CB 3.73Å; F166-L202 HydrophobicContact CZ-CD1 3.58Å; F166-L202 HydrophobicContact CZ-CG 4.31Å; F166-L203 HydrophobicContact CD1-CD2 3.84Å; F166-L203 HydrophobicContact CD1-CG 4.46Å; F166-L203 HydrophobicContact CE1-CD2 3.68Å; F166-L203 HydrophobicContact CE1-CG 3.91Å; F166-M269 HydrophobicContact CD2-CE 3.64Å; F166-M269 HydrophobicContact CE2-CE 3.54Å |
| 167 | K | 87 | Confident | 88 | Confident | 175 Ų | 175 | 54.2 Ų | 54.2 | 76% | 0.761 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.2 | -29.2 | 176.9 | -62.1 | -175.4 | 177.1 | -177.2 | 0 | 112.5 | P164 L165 | P164-K167 WeakPolarHBondContact O-CB 3.11Å; P164-K167 PolarHBondContact O-N 3.42Å; P164-K167 VanDerWaalsContact O-N 3.14Å; L165-K167 PolarHBondContact O-N 2.67Å |
| 168 | E | 90.4 | Very high | 88.4 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -88.8 | -27.5 | -179.8 | -63 | -56.6 | 138.7 | 0 | 0 | 113 | L133 L165 F166 G170 R171 L172 | L133-E168 HydrophobicContact CD1-CB 4.35Å; L133-E168 HydrophobicContact CD1-CG 4.29Å; L165-E168 PolarHBondContact O-N 3.01Å; F166-E168 VanDerWaalsContact C-N 3.31Å; F166-E168 PolarHBondContact O-N 3.43Å; E168-G170 VanDerWaalsContact C-N 3.32Å; E168-G170 PolarHBondContact O-N 3.29Å; E168-R171 WeakPolarHBondContact O-CB 3.26Å; E168-R171 PolarHBondContact O-N 2.83Å; E168-R171 IonicContact OE2-CZ 2.81Å; E168-R171 IonicContact OE2-NE 3.16Å; E168-R171 PolarHBondContact OE2-NE 3.18Å; E168-R171 IonicContact OE2-NH2 2.71Å; E168-R171 PolarHBondContact OE2-NH2 2.9Å; E168-L172 HydrophobicContact CB-CD1 3.84Å; E168-L172 HydrophobicContact CB-CG 4.47Å; E168-L172 WeakPolarHBondContact O-CG 3.48Å; E168-L172 PolarHBondContact O-N 3.21Å |
| 169 | F | 93 | Very high | 89 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55 | -41.9 | -177 | -68.6 | -24.4 | 0 | 0 | 0 | 113.7 | L165 F166 R171 L172 L173 T184 L187 I188 V191 L203 | L165-F169 HydrophobicContact CB-CE1 3.94Å; L165-F169 HydrophobicContact CB-CE2 4.22Å; L165-F169 HydrophobicContact CB-CZ 3.65Å; L165-F169 WeakPolarHBondContact O-CD1 3.39Å; L165-F169 WeakPolarHBondContact O-CG 3.22Å; L165-F169 PolarHBondContact O-N 2.79Å; L165-F169 VanDerWaalsContact O-N 3.08Å; F166-F169 HydrophobicContact CB-CD2 4.45Å; F166-F169 AromaticContact CD1-CD2 3.69Å; F166-F169 HydrophobicContact CD1-CD2 3.69Å; F166-F169 AromaticContact CD1-CE2 3.94Å; F166-F169 HydrophobicContact CD1-CE2 3.94Å; F166-F169 HydrophobicContact CD2-CE2 4.44Å; F166-F169 HydrophobicContact CE1-CD2 4.08Å; F166-F169 HydrophobicContact CE1-CE2 4.06Å; F166-F169 HydrophobicContact CG-CD2 4.12Å; F166-F169 HydrophobicContact CG-CE2 4.13Å; F166-F169 HydrophobicContact CZ-CE2 4.37Å; F169-R171 VanDerWaalsContact C-N 3.33Å; F169-R171 PolarHBondContact O-N 2.94Å; F169-L172 PolarHBondContact O-N 3.14Å; F169-L173 WeakPolarHBondContact O-CB 3.45Å; F169-L173 VanDerWaalsContact O-CG 3.27Å; F169-L173 WeakPolarHBondContact O-CG 3.23Å; F169-L173 PolarHBondContact O-N 3.37Å; F169-T184 HydrophobicContact CD1-CG2 3.89Å; F169-L187 HydrophobicContact CE1-CD2 3.87Å; F169-L187 HydrophobicContact CE1-CG 3.95Å; F169-L187 HydrophobicContact CZ-CD2 4.47Å; F169-L187 HydrophobicContact CZ-CG 4.19Å; F169-I188 HydrophobicContact CB-CD1 4.06Å; F169-I188 HydrophobicContact CD1-CD1 4.1Å; F169-I188 HydrophobicContact CD1-CG1 3.89Å; F169-I188 HydrophobicContact CD2-CD1 4.03Å; F169-I188 HydrophobicContact CD2-CG1 3.7Å; F169-I188 HydrophobicContact CE1-CG1 3.88Å; F169-I188 HydrophobicContact CE2-CG1 3.71Å; F169-I188 HydrophobicContact CG-CD1 3.82Å; F169-I188 HydrophobicContact CG-CG1 3.82Å; F169-I188 HydrophobicContact CZ-CG1 3.79Å; F169-V191 HydrophobicContact CZ-CG2 4.15Å; F169-L203 HydrophobicContact CB-CD2 4.49Å; F169-L203 HydrophobicContact CD2-CD2 4.01Å |
| 170 | G | 86.7 | Confident | 89.5 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E168 | E168-G170 VanDerWaalsContact C-N 3.32Å; E168-G170 PolarHBondContact O-N 3.29Å |
| 171 | R | 91.4 | Very high | 89.7 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 177.2 | -177.4 | 179.2 | 67.7 | 84.5 | -7.1 | 112.3 | L133 E168 F169 D174 D175 | L133-R171 PolarHBondContact O-NH1 3.18Å; L133-R171 PolarHBondContact O-NH2 3.36Å; E168-R171 WeakPolarHBondContact O-CB 3.26Å; E168-R171 PolarHBondContact O-N 2.83Å; E168-R171 IonicContact OE2-CZ 2.81Å; E168-R171 IonicContact OE2-NE 3.16Å; E168-R171 PolarHBondContact OE2-NE 3.18Å; E168-R171 IonicContact OE2-NH2 2.71Å; E168-R171 PolarHBondContact OE2-NH2 2.9Å; F169-R171 VanDerWaalsContact C-N 3.33Å; F169-R171 PolarHBondContact O-N 2.94Å; R171-D174 PolarHBondContact O-N 2.99Å; R171-D175 PolarHBondContact O-N 3.37Å |
| 172 | L | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.8 | -28.1 | -171.6 | -64.8 | 171.4 | 0 | 0 | 0 | 113.5 | L133 V141 L145 E168 F169 D174 D175 I180 T184 | L133-L172 HydrophobicContact CB-CD1 4.3Å; L133-L172 HydrophobicContact CD1-CD1 4.08Å; L133-L172 HydrophobicContact CD2-CD1 4.25Å; L133-L172 HydrophobicContact CG-CD1 4.45Å; V141-L172 HydrophobicContact CG1-CD2 3.97Å; L145-L172 HydrophobicContact CD2-CD1 4.17Å; E168-L172 HydrophobicContact CB-CD1 3.84Å; E168-L172 HydrophobicContact CB-CG 4.47Å; E168-L172 WeakPolarHBondContact O-CG 3.48Å; E168-L172 PolarHBondContact O-N 3.21Å; F169-L172 PolarHBondContact O-N 3.14Å; L172-D174 VanDerWaalsContact C-N 3.25Å; L172-D174 PolarHBondContact O-N 3.46Å; L172-D175 PolarHBondContact O-N 3.41Å; L172-I180 HydrophobicContact CB-CG2 4.19Å; L172-I180 HydrophobicContact CD2-CG2 3.88Å; L172-T184 HydrophobicContact CB-CG2 3.91Å; L172-T184 WeakPolarHBondContact CB-OG1 3.35Å |
| 173 | L | 93.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.9 | -25.4 | 169 | -71.2 | 171.3 | 0 | 0 | 0 | 112.6 | F169 R181 T184 K185 I188 I206 V210 L214 | F169-L173 WeakPolarHBondContact O-CB 3.45Å; F169-L173 VanDerWaalsContact O-CG 3.27Å; F169-L173 WeakPolarHBondContact O-CG 3.23Å; F169-L173 PolarHBondContact O-N 3.37Å; L173-R181 WeakPolarHBondContact O-CD 3.41Å; L173-R181 WeakPolarHBondContact O-CG 3.3Å; L173-T184 HydrophobicContact CD2-CG2 3.84Å; L173-T184 HydrophobicContact CG-CG2 3.83Å; L173-K185 HydrophobicContact CD2-CG 3.82Å; L173-I188 HydrophobicContact CD1-CD1 3.73Å; L173-I188 HydrophobicContact CD2-CD1 4.1Å; L173-I188 HydrophobicContact CG-CD1 4.13Å; L173-I206 HydrophobicContact CD1-CD1 3.65Å; L173-I206 HydrophobicContact CD1-CG1 4.16Å; L173-I206 HydrophobicContact CD1-CG2 3.98Å; L173-V210 HydrophobicContact CB-CG1 4.45Å; L173-V210 HydrophobicContact CD1-CG1 4.01Å; L173-V210 HydrophobicContact CD2-CG1 4.03Å; L173-V210 HydrophobicContact CG-CG1 4.4Å; L173-L214 HydrophobicContact CD1-CD1 4.38Å |
| 174 | D | 89.5 | Confident | 91.2 | Very high | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.7 | 176.9 | -96.6 | 6 | 0 | 0 | 0 | 114 | R171 L172 K207 | R171-D174 PolarHBondContact O-N 2.99Å; L172-D174 VanDerWaalsContact C-N 3.25Å; L172-D174 PolarHBondContact O-N 3.46Å; D174-K207 WeakPolarHBondContact OD1-CE 3.31Å; D174-K207 IonicContact OD1-NZ 2.93Å; D174-K207 PolarHBondContact OD1-NZ 3.17Å; D174-K207 VanDerWaalsContact OD2-CE 3.23Å; D174-K207 WeakPolarHBondContact OD2-CE 3.41Å; D174-K207 IonicContact OD2-NZ 2.71Å; D174-K207 PolarHBondContact OD2-NZ 2.94Å |
| 175 | D | 91.9 | Very high | 91.7 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | trans | -60.7 | 155.4 | 176.1 | -161.5 | -71.7 | 0 | 0 | 0 | 111 | R171 L172 D177 I180 R181 | R171-D175 PolarHBondContact O-N 3.37Å; L172-D175 PolarHBondContact O-N 3.41Å; D175-D177 PolarHBondContact OD1-N 3.39Å; D175-I180 HydrophobicContact CB-CB 4.2Å; D175-I180 HydrophobicContact CB-CD1 4.49Å; D175-I180 HydrophobicContact CB-CG2 3.76Å; D175-R181 WeakPolarHBondContact O-CD 3.24Å; D175-R181 PolarHBondContact O-NH1 3.4Å | ||
| 176 | R | 89.3 | Confident | 92 | Very high | 240 Ų | 240 | 58 Ų | 58 | 91% | 0.906 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -74.1 | -27.7 | 178.7 | -64.2 | -176.9 | 179.6 | -173 | -0.4 | 112.7 | R181 | R176-R181 PolarHBondContact O-NH1 2.76Š|
| 177 | D | 92.5 | Very high | 92.3 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | trans | -79.4 | 127.3 | -179.7 | -172.1 | -84.5 | 0 | 0 | 0 | 112.6 | P138 D175 G179 I180 R181 | P138-D177 HydrophobicContact CB-CB 4.19Å; D175-D177 PolarHBondContact OD1-N 3.39Å; D177-G179 VanDerWaalsContact C-N 3.31Å; D177-G179 PolarHBondContact O-N 3.38Å; D177-G179 WeakPolarHBondContact OD1-CA 3.26Å; D177-G179 PolarHBondContact OD1-N 3.45Å; D177-I180 HydrophobicContact CB-CB 4.2Å; D177-I180 HydrophobicContact CB-CD1 3.89Å; D177-I180 HydrophobicContact CB-CG1 3.92Å; D177-I180 PolarHBondContact O-N 2.72Å; D177-I180 PolarHBondContact OD1-N 3.02Å; D177-R181 WeakPolarHBondContact O-CG 3.15Å; D177-R181 PolarHBondContact O-N 2.69Å; D177-R181 VanDerWaalsContact O-N 3.13Å | ||
| 178 | Q | 91.2 | Very high | 92.6 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 46% | 0.463 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68 | -29.5 | -179.6 | -175.2 | 68.9 | 57.3 | 0 | 0 | 112.7 | N182 | Q178-N182 PolarHBondContact NE2-OD1 2.63Å; Q178-N182 VanDerWaalsContact O-CB 3.3Å; Q178-N182 WeakPolarHBondContact O-CB 3.39Å; Q178-N182 PolarHBondContact O-N 3.1Å; Q178-N182 PolarHBondContact O-OD1 3.22Å |
| 179 | G | 90.2 | Very high | 92.7 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D177 N182 E183 | D177-G179 VanDerWaalsContact C-N 3.31Å; D177-G179 PolarHBondContact O-N 3.38Å; D177-G179 WeakPolarHBondContact OD1-CA 3.26Å; D177-G179 PolarHBondContact OD1-N 3.45Å; G179-N182 PolarHBondContact O-N 3.1Å; G179-E183 WeakPolarHBondContact O-CB 3.3Å; G179-E183 PolarHBondContact O-N 3.27Å |
| 180 | I | 95.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 173.9 | -63.9 | 177.7 | 0 | 0 | 0 | 110.3 | P138 V141 V142 L145 L172 D175 D177 N182 E183 T184 | P138-I180 HydrophobicContact CB-CD1 3.84Å; P138-I180 HydrophobicContact CB-CG1 4.4Å; V141-I180 HydrophobicContact CB-CD1 3.82Å; V141-I180 HydrophobicContact CB-CG1 4.11Å; V141-I180 HydrophobicContact CG1-CD1 3.76Å; V141-I180 HydrophobicContact CG1-CG1 3.89Å; V141-I180 HydrophobicContact CG1-CG2 4.02Å; V141-I180 HydrophobicContact CG2-CD1 4.32Å; V142-I180 HydrophobicContact CG2-CB 4.48Å; V142-I180 HydrophobicContact CG2-CG1 3.73Å; L145-I180 HydrophobicContact CD1-CG2 4.1Å; L172-I180 HydrophobicContact CB-CG2 4.19Å; L172-I180 HydrophobicContact CD2-CG2 3.88Å; D175-I180 HydrophobicContact CB-CB 4.2Å; D175-I180 HydrophobicContact CB-CD1 4.49Å; D175-I180 HydrophobicContact CB-CG2 3.76Å; D177-I180 HydrophobicContact CB-CB 4.2Å; D177-I180 HydrophobicContact CB-CD1 3.89Å; D177-I180 HydrophobicContact CB-CG1 3.92Å; D177-I180 PolarHBondContact O-N 2.72Å; D177-I180 PolarHBondContact OD1-N 3.02Å; I180-N182 PolarHBondContact O-N 2.96Å; I180-E183 PolarHBondContact O-N 3.39Å; I180-T184 VanDerWaalsContact O-CB 3.32Å; I180-T184 WeakPolarHBondContact O-CB 3.21Å; I180-T184 PolarHBondContact O-N 3.16Å; I180-T184 PolarHBondContact O-OG1 3.28Å |
| 181 | R | 94 | Very high | 92.8 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 24% | 0.242 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 178.7 | -66.5 | -166.2 | -62.2 | -87 | 1.6 | 112.5 | L173 D175 R176 D177 K185 | L173-R181 WeakPolarHBondContact O-CD 3.41Å; L173-R181 WeakPolarHBondContact O-CG 3.3Å; D175-R181 WeakPolarHBondContact O-CD 3.24Å; D175-R181 PolarHBondContact O-NH1 3.4Å; R176-R181 PolarHBondContact O-NH1 2.76Å; D177-R181 WeakPolarHBondContact O-CG 3.15Å; D177-R181 PolarHBondContact O-N 2.69Å; D177-R181 VanDerWaalsContact O-N 3.13Å; R181-K185 WeakPolarHBondContact O-CG 3.29Å; R181-K185 PolarHBondContact O-N 3.27Å; R181-K185 VanDerWaalsContact O-N 3.08Å |
| 182 | N | 94 | Very high | 92.6 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 179.6 | -74.6 | -1.8 | 0 | 0 | 0 | 112.1 | Q178 G179 I180 T184 K185 N186 | Q178-N182 PolarHBondContact NE2-OD1 2.63Å; Q178-N182 VanDerWaalsContact O-CB 3.3Å; Q178-N182 WeakPolarHBondContact O-CB 3.39Å; Q178-N182 PolarHBondContact O-N 3.1Å; Q178-N182 PolarHBondContact O-OD1 3.22Å; G179-N182 PolarHBondContact O-N 3.1Å; I180-N182 PolarHBondContact O-N 2.96Å; N182-T184 VanDerWaalsContact C-N 3.29Å; N182-T184 PolarHBondContact O-N 3.4Å; N182-K185 WeakPolarHBondContact O-CB 3.47Å; N182-K185 PolarHBondContact O-N 2.77Å; N182-N186 VanDerWaalsContact O-CG 3.26Å; N182-N186 PolarHBondContact O-N 2.84Å; N182-N186 PolarHBondContact O-ND2 3.2Å |
| 183 | E | 94.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -28.6 | -177.5 | -158.9 | 70.3 | 158.9 | 0 | 0 | 111.9 | V142 L145 Q146 R149 G179 I180 N186 L187 | V142-E183 HydrophobicContact CG1-CB 4.42Å; V142-E183 HydrophobicContact CG1-CG 4.38Å; L145-E183 HydrophobicContact CB-CB 4.09Å; L145-E183 HydrophobicContact CB-CG 3.63Å; L145-E183 HydrophobicContact CD1-CB 4.18Å; Q146-E183 WeakPolarHBondContact CA-OE1 3.34Å; Q146-E183 WeakPolarHBondContact CB-OE1 3.47Å; R149-E183 IonicContact CZ-OE1 3.01Å; R149-E183 VanDerWaalsContact CZ-OE1 3.29Å; R149-E183 IonicContact CZ-OE2 2.83Å; R149-E183 IonicContact NH1-OE1 2.91Å; R149-E183 PolarHBondContact NH1-OE1 3.13Å; R149-E183 IonicContact NH1-OE2 2.7Å; R149-E183 PolarHBondContact NH1-OE2 2.93Å; R149-E183 IonicContact NH2-OE1 3.95Å; R149-E183 PolarHBondContact NH2-OE1 3.32Å; R149-E183 IonicContact NH2-OE2 3.17Å; G179-E183 WeakPolarHBondContact O-CB 3.3Å; G179-E183 PolarHBondContact O-N 3.27Å; I180-E183 PolarHBondContact O-N 3.39Å; E183-N186 PolarHBondContact O-N 3.17Å; E183-N186 PolarHBondContact OE2-ND2 3.36Å; E183-L187 PolarHBondContact O-N 3.03Å |
| 184 | T | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 169.2 | -54 | 0 | 0 | 0 | 0 | 111.5 | L145 F169 L172 L173 I180 N182 N186 L187 I188 | L145-T184 WeakPolarHBondContact CD1-OG1 3.48Å; F169-T184 HydrophobicContact CD1-CG2 3.89Å; L172-T184 HydrophobicContact CB-CG2 3.91Å; L172-T184 WeakPolarHBondContact CB-OG1 3.35Å; L173-T184 HydrophobicContact CD2-CG2 3.84Å; L173-T184 HydrophobicContact CG-CG2 3.83Å; I180-T184 VanDerWaalsContact O-CB 3.32Å; I180-T184 WeakPolarHBondContact O-CB 3.21Å; I180-T184 PolarHBondContact O-N 3.16Å; I180-T184 PolarHBondContact O-OG1 3.28Å; N182-T184 VanDerWaalsContact C-N 3.29Å; N182-T184 PolarHBondContact O-N 3.4Å; T184-N186 VanDerWaalsContact C-N 3.31Å; T184-N186 PolarHBondContact O-N 3.11Å; T184-L187 PolarHBondContact O-N 3.16Å; T184-I188 HydrophobicContact CG2-CD1 4.02Å; T184-I188 WeakPolarHBondContact O-CG1 3.49Å; T184-I188 PolarHBondContact O-N 2.85Å |
| 185 | K | 94.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 12% | 0.122 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 172.3 | -72 | 176 | 174.5 | -177.2 | 0 | 111.5 | L173 R181 N182 L187 I188 V189 E213 L214 L217 | L173-K185 HydrophobicContact CD2-CG 3.82Å; R181-K185 WeakPolarHBondContact O-CG 3.29Å; R181-K185 PolarHBondContact O-N 3.27Å; R181-K185 VanDerWaalsContact O-N 3.08Å; N182-K185 WeakPolarHBondContact O-CB 3.47Å; N182-K185 PolarHBondContact O-N 2.77Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.18Å; K185-I188 PolarHBondContact O-N 2.68Å; K185-V189 WeakPolarHBondContact O-CG2 3.3Å; K185-V189 PolarHBondContact O-N 2.8Å; K185-E213 WeakPolarHBondContact CE-OE2 3.37Å; K185-E213 IonicContact NZ-OE1 3.95Å; K185-E213 PolarHBondContact NZ-OE1 3.44Å; K185-E213 IonicContact NZ-OE2 3.51Å; K185-E213 PolarHBondContact NZ-OE2 3Å; K185-L214 HydrophobicContact CB-CD2 4.15Å; K185-L214 HydrophobicContact CG-CD2 4.03Å; K185-L217 HydrophobicContact CB-CD1 4.33Å |
| 186 | N | 94.7 | Very high | 91 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 178.3 | -63.6 | -25.2 | 0 | 0 | 0 | 112.6 | N182 E183 T184 E190 | N182-N186 VanDerWaalsContact O-CG 3.26Å; N182-N186 PolarHBondContact O-N 2.84Å; N182-N186 PolarHBondContact O-ND2 3.2Å; E183-N186 PolarHBondContact O-N 3.17Å; E183-N186 PolarHBondContact OE2-ND2 3.36Å; T184-N186 VanDerWaalsContact C-N 3.31Å; T184-N186 PolarHBondContact O-N 3.11Å; N186-E190 PolarHBondContact O-N 3.23Å; N186-E190 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 94.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.2 | -37.2 | 173.8 | 176.4 | 55.9 | 0 | 0 | 0 | 111.9 | L145 L148 R149 L152 L165 F169 E183 T184 K185 E190 V191 | L145-L187 HydrophobicContact CD2-CD2 3.65Å; L148-L187 HydrophobicContact CB-CD1 4.46Å; L148-L187 HydrophobicContact CB-CD2 4.13Å; R149-L187 HydrophobicContact CB-CB 4.42Å; R149-L187 HydrophobicContact CB-CD1 3.93Å; L152-L187 HydrophobicContact CD2-CD1 4.3Å; L165-L187 HydrophobicContact CD1-CD1 4.48Å; F169-L187 HydrophobicContact CE1-CD2 3.87Å; F169-L187 HydrophobicContact CE1-CG 3.95Å; F169-L187 HydrophobicContact CZ-CD2 4.47Å; F169-L187 HydrophobicContact CZ-CG 4.19Å; E183-L187 PolarHBondContact O-N 3.03Å; T184-L187 PolarHBondContact O-N 3.16Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.18Å; L187-E190 PolarHBondContact O-N 2.85Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 3.47Å |
| 188 | I | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 174.8 | -69.3 | 166.6 | 0 | 0 | 0 | 111.7 | F169 L173 T184 K185 E190 V191 Y192 T199 L203 L214 F218 | F169-I188 HydrophobicContact CB-CD1 4.06Å; F169-I188 HydrophobicContact CD1-CD1 4.1Å; F169-I188 HydrophobicContact CD1-CG1 3.89Å; F169-I188 HydrophobicContact CD2-CD1 4.03Å; F169-I188 HydrophobicContact CD2-CG1 3.7Å; F169-I188 HydrophobicContact CE1-CG1 3.88Å; F169-I188 HydrophobicContact CE2-CG1 3.71Å; F169-I188 HydrophobicContact CG-CD1 3.82Å; F169-I188 HydrophobicContact CG-CG1 3.82Å; F169-I188 HydrophobicContact CZ-CG1 3.79Å; L173-I188 HydrophobicContact CD1-CD1 3.73Å; L173-I188 HydrophobicContact CD2-CD1 4.1Å; L173-I188 HydrophobicContact CG-CD1 4.13Å; T184-I188 HydrophobicContact CG2-CD1 4.02Å; T184-I188 WeakPolarHBondContact O-CG1 3.49Å; T184-I188 PolarHBondContact O-N 2.85Å; K185-I188 PolarHBondContact O-N 2.68Å; I188-E190 VanDerWaalsContact C-N 3.34Å; I188-V191 PolarHBondContact O-N 3.14Å; I188-Y192 PolarHBondContact O-N 3.14Å; I188-T199 HydrophobicContact CG2-CG2 4.24Å; I188-L203 HydrophobicContact CD1-CD2 4.47Å; I188-L203 HydrophobicContact CG2-CD1 3.69Å; I188-L214 HydrophobicContact CB-CD2 4.13Å; I188-L214 HydrophobicContact CD1-CD1 4.29Å; I188-L214 HydrophobicContact CG2-CD1 4.16Å; I188-L214 HydrophobicContact CG2-CD2 3.77Å; I188-F218 HydrophobicContact CG2-CE1 3.9Å; I188-F218 HydrophobicContact CG2-CZ 3.69Å |
| 189 | V | 92.6 | Very high | 89.1 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 171.8 | 162.9 | 0 | 0 | 0 | 0 | 111.2 | K185 Y192 R193 L217 F218 I221 | K185-V189 WeakPolarHBondContact O-CG2 3.3Å; K185-V189 PolarHBondContact O-N 2.8Å; V189-Y192 WeakPolarHBondContact O-CB 3.32Å; V189-Y192 PolarHBondContact O-N 3.28Å; V189-R193 PolarHBondContact O-N 2.9Å; V189-L217 HydrophobicContact CG2-CB 3.7Å; V189-L217 HydrophobicContact CG2-CD1 4.11Å; V189-L217 HydrophobicContact CG2-CG 4.46Å; V189-F218 HydrophobicContact CG2-CD1 4.36Å; V189-F218 HydrophobicContact CG2-CE1 4.37Å; V189-I221 HydrophobicContact CG1-CD1 3.96Å; V189-I221 HydrophobicContact CG1-CG1 4.23Å |
| 190 | E | 91.4 | Very high | 88.7 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.8 | -176.7 | 57.5 | -158.1 | 0 | 0 | 111.9 | R149 L152 N153 N186 L187 I188 Y192 R193 W194 | R149-E190 HydrophobicContact CG-CB 3.75Å; R149-E190 HydrophobicContact CG-CG 3.93Å; L152-E190 HydrophobicContact CB-CG 4.26Å; L152-E190 HydrophobicContact CD2-CB 4.47Å; L152-E190 HydrophobicContact CD2-CG 3.89Å; L152-E190 HydrophobicContact CG-CG 3.97Å; N153-E190 WeakPolarHBondContact CA-OE1 3.31Å; N153-E190 HydrophobicContact CB-CG 4.43Å; N153-E190 WeakPolarHBondContact CB-OE1 3.48Å; N186-E190 PolarHBondContact O-N 3.23Å; N186-E190 VanDerWaalsContact O-N 3.12Å; L187-E190 PolarHBondContact O-N 2.85Å; I188-E190 VanDerWaalsContact C-N 3.34Å; E190-Y192 VanDerWaalsContact C-N 3.29Å; E190-Y192 PolarHBondContact O-N 3.1Å; E190-R193 VanDerWaalsContact O-CB 3.31Å; E190-R193 WeakPolarHBondContact O-CB 3.39Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 IonicContact OE1-CZ 2.98Å; E190-R193 IonicContact OE1-NH1 3.61Å; E190-R193 PolarHBondContact OE1-NH1 3.32Å; E190-R193 IonicContact OE2-CZ 3.66Å; E190-R193 IonicContact OE2-NH1 3.72Å; E190-R193 PolarHBondContact OE2-NH1 3.45Å; E190-W194 VanDerWaalsContact O-CD1 3.27Å; E190-W194 PolarHBondContact O-N 2.97Å; E190-W194 PolarHBondContact OE1-NE1 3Å |
| 191 | V | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.6 | -45.3 | 171.5 | 162.8 | 0 | 0 | 0 | 0 | 111.3 | L152 I162 F166 F169 L187 I188 R193 W194 I195 T199 | L152-V191 HydrophobicContact CD2-CB 4.49Å; L152-V191 HydrophobicContact CD2-CG2 3.58Å; I162-V191 HydrophobicContact CD1-CG1 4.32Å; I162-V191 HydrophobicContact CD1-CG2 4.42Å; I162-V191 HydrophobicContact CG2-CB 4.38Å; I162-V191 HydrophobicContact CG2-CG1 3.76Å; I162-V191 HydrophobicContact CG2-CG2 3.66Å; F166-V191 HydrophobicContact CE2-CG1 4Å; F166-V191 HydrophobicContact CZ-CG1 3.76Å; F169-V191 HydrophobicContact CZ-CG2 4.15Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 3.47Å; I188-V191 PolarHBondContact O-N 3.14Å; V191-R193 VanDerWaalsContact C-N 3.28Å; V191-R193 PolarHBondContact O-N 2.94Å; V191-W194 PolarHBondContact O-N 3.01Å; V191-W194 VanDerWaalsContact O-N 3.11Å; V191-I195 HydrophobicContact CG1-CD1 3.71Å; V191-I195 HydrophobicContact CG1-CG1 3.73Å; V191-I195 WeakPolarHBondContact O-CG1 3.5Å; V191-I195 PolarHBondContact O-N 3.15Å; V191-T199 HydrophobicContact CG1-CG2 4.07Å |
| 192 | Y | 88.5 | Confident | 87 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 175.8 | -174.2 | -81.2 | 0 | 0 | 0 | 113 | I188 V189 E190 W194 G196 T199 K200 F218 I221 | I188-Y192 PolarHBondContact O-N 3.14Å; V189-Y192 WeakPolarHBondContact O-CB 3.32Å; V189-Y192 PolarHBondContact O-N 3.28Å; E190-Y192 VanDerWaalsContact C-N 3.29Å; E190-Y192 PolarHBondContact O-N 3.1Å; Y192-W194 VanDerWaalsContact C-N 3.25Å; Y192-W194 PolarHBondContact O-N 2.91Å; Y192-G196 WeakPolarHBondContact CD2-O 3.06Å; Y192-G196 WeakPolarHBondContact CE2-O 3.39Å; Y192-G196 WeakPolarHBondContact O-CA 3.5Å; Y192-G196 PolarHBondContact O-N 3.42Å; Y192-T199 WeakPolarHBondContact CA-OG1 3.4Å; Y192-T199 HydrophobicContact CD2-CG2 4.38Å; Y192-K200 HydrophobicContact CE2-CD 4.4Å; Y192-K200 HydrophobicContact CE2-CG 4.36Å; Y192-F218 VanDerWaalsContact CB-CD1 3.47Å; Y192-F218 HydrophobicContact CD1-CB 4.11Å; Y192-F218 AromaticContact CD1-CD1 3.9Å; Y192-F218 HydrophobicContact CD1-CD1 3.9Å; Y192-F218 HydrophobicContact CD1-CG 4.13Å; Y192-F218 HydrophobicContact CD2-CB 4.05Å; Y192-F218 AromaticContact CD2-CD1 3.46Å; Y192-F218 HydrophobicContact CD2-CD1 3.46Å; Y192-F218 VanDerWaalsContact CD2-CD1 3.46Å; Y192-F218 AromaticContact CD2-CD2 3.63Å; Y192-F218 HydrophobicContact CD2-CD2 3.63Å; Y192-F218 AromaticContact CD2-CE1 3.68Å; Y192-F218 HydrophobicContact CD2-CE1 3.68Å; Y192-F218 AromaticContact CD2-CE2 3.84Å; Y192-F218 HydrophobicContact CD2-CE2 3.84Å; Y192-F218 AromaticContact CD2-CG 3.43Å; Y192-F218 HydrophobicContact CD2-CG 3.43Å; Y192-F218 VanDerWaalsContact CD2-CG 3.43Å; Y192-F218 AromaticContact CD2-CZ 3.85Å; Y192-F218 HydrophobicContact CD2-CZ 3.85Å; Y192-F218 HydrophobicContact CE1-CB 3.87Å; Y192-F218 HydrophobicContact CE1-CG 4.29Å; Y192-F218 HydrophobicContact CE2-CB 3.84Å; Y192-F218 HydrophobicContact CE2-CD1 4.15Å; Y192-F218 AromaticContact CE2-CD2 3.73Å; Y192-F218 HydrophobicContact CE2-CD2 3.73Å; Y192-F218 HydrophobicContact CE2-CE2 4.27Å; Y192-F218 AromaticContact CE2-CG 3.65Å; Y192-F218 HydrophobicContact CE2-CG 3.65Å; Y192-F218 HydrophobicContact CG-CB 4.19Å; Y192-F218 AromaticContact CG-CD1 3.32Å; Y192-F218 HydrophobicContact CG-CD1 3.32Å; Y192-F218 HydrophobicContact CG-CD2 4.35Å; Y192-F218 AromaticContact CG-CE1 3.67Å; Y192-F218 HydrophobicContact CG-CE1 3.67Å; Y192-F218 AromaticContact CG-CG 3.71Å; Y192-F218 HydrophobicContact CG-CG 3.71Å; Y192-F218 HydrophobicContact CG-CZ 4.3Å; Y192-I221 HydrophobicContact CD1-CD1 3.57Å; Y192-I221 HydrophobicContact CE1-CD1 4.22Å; Y192-I221 HydrophobicContact CG-CD1 4.37Å |
| 193 | R | 86.6 | Confident | 86.5 | Confident | 75 Ų | 75 | 29.9 Ų | 29.9 | 28% | 0.283 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.1 | -34.2 | 175.6 | -165.3 | 170.7 | 133.9 | -121.1 | -3.6 | 111.8 | N153 V189 E190 V191 I221 P226 | N153-R193 PolarHBondContact OD1-NH1 3.48Å; N153-R193 PolarHBondContact OD1-NH2 3.42Å; N153-R193 VanDerWaalsContact OD1-NH2 3.09Å; V189-R193 PolarHBondContact O-N 2.9Å; E190-R193 VanDerWaalsContact O-CB 3.31Å; E190-R193 WeakPolarHBondContact O-CB 3.39Å; E190-R193 PolarHBondContact O-N 3.49Å; E190-R193 IonicContact OE1-CZ 2.98Å; E190-R193 IonicContact OE1-NH1 3.61Å; E190-R193 PolarHBondContact OE1-NH1 3.32Å; E190-R193 IonicContact OE2-CZ 3.66Å; E190-R193 IonicContact OE2-NH1 3.72Å; E190-R193 PolarHBondContact OE2-NH1 3.45Å; V191-R193 VanDerWaalsContact C-N 3.28Å; V191-R193 PolarHBondContact O-N 2.94Å; R193-I221 HydrophobicContact CG-CG2 4.37Å; R193-P226 HydrophobicContact CG-CB 4.18Å; R193-P226 HydrophobicContact CG-CG 4.19Å; R193-P226 WeakPolarHBondContact O-CD 3.27Å; R193-P226 VanDerWaalsContact O-CG 3.25Å; R193-P226 WeakPolarHBondContact O-CG 3.18Å |
| 194 | W | 86.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 34.8 Ų | 34.8 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -87.8 | -42 | 178.8 | -68.5 | 96.7 | 0 | 0 | 0 | 115.2 | L152 P157 E190 V191 Y192 P226 R228 | L152-W194 HydrophobicContact CD1-CG 4.44Å; L152-W194 WeakPolarHBondContact O-CZ2 3.47Å; L152-W194 PolarHBondContact O-NE1 2.89Å; P157-W194 HydrophobicContact CG-CB 4.27Å; P157-W194 HydrophobicContact CG-CD2 4.23Å; P157-W194 HydrophobicContact CG-CE3 3.96Å; P157-W194 HydrophobicContact CG-CG 4.38Å; E190-W194 VanDerWaalsContact O-CD1 3.27Å; E190-W194 PolarHBondContact O-N 2.97Å; E190-W194 PolarHBondContact OE1-NE1 3Å; V191-W194 PolarHBondContact O-N 3.01Å; V191-W194 VanDerWaalsContact O-N 3.11Å; Y192-W194 VanDerWaalsContact C-N 3.25Å; Y192-W194 PolarHBondContact O-N 2.91Å; W194-P226 HydrophobicContact CB-CG 4.5Å; W194-P226 HydrophobicContact CD2-CB 3.76Å; W194-P226 HydrophobicContact CD2-CG 3.49Å; W194-P226 VanDerWaalsContact CD2-CG 3.49Å; W194-P226 HydrophobicContact CE3-CB 3.89Å; W194-P226 HydrophobicContact CE3-CG 3.46Å; W194-P226 VanDerWaalsContact CE3-CG 3.46Å; W194-P226 HydrophobicContact CG-CB 4.46Å; W194-P226 HydrophobicContact CG-CG 3.97Å; W194-P226 HydrophobicContact CH2-CB 3.86Å; W194-P226 HydrophobicContact CH2-CG 4.35Å; W194-P226 HydrophobicContact CZ2-CB 3.71Å; W194-P226 HydrophobicContact CZ2-CG 4.36Å; W194-P226 HydrophobicContact CZ3-CB 3.93Å; W194-P226 HydrophobicContact CZ3-CG 3.91Å; W194-R228 HydrophobicContact CH2-CG 4.09Å |
| 195 | I | 79.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -111.3 | 2.6 | -175.9 | 56.7 | 149.2 | 0 | 0 | 0 | 114.8 | I162 F166 V191 T199 L202 V264 L266 M269 | I162-I195 HydrophobicContact CD1-CG1 4.3Å; I162-I195 HydrophobicContact CD1-CG2 3.85Å; F166-I195 HydrophobicContact CE2-CD1 3.99Å; F166-I195 HydrophobicContact CZ-CD1 3.93Å; V191-I195 HydrophobicContact CG1-CD1 3.71Å; V191-I195 HydrophobicContact CG1-CG1 3.73Å; V191-I195 WeakPolarHBondContact O-CG1 3.5Å; V191-I195 PolarHBondContact O-N 3.15Å; I195-T199 WeakPolarHBondContact CD1-OG1 3.37Å; I195-T199 WeakPolarHBondContact CG1-OG1 3.33Å; I195-L202 HydrophobicContact CD1-CD1 4.03Å; I195-V264 HydrophobicContact CG2-CB 4.21Å; I195-V264 HydrophobicContact CG2-CG1 4.22Å; I195-V264 HydrophobicContact CG2-CG2 4.39Å; I195-L266 HydrophobicContact CB-CD2 3.52Å; I195-L266 HydrophobicContact CG2-CD2 3.84Å; I195-L266 WeakPolarHBondContact O-CD2 3.45Å; I195-M269 HydrophobicContact CD1-SD 4.2Å |
| 196 | G | 82.8 | Confident | 84.4 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -139.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y192 T198 T199 | Y192-G196 WeakPolarHBondContact CD2-O 3.06Å; Y192-G196 WeakPolarHBondContact CE2-O 3.39Å; Y192-G196 WeakPolarHBondContact O-CA 3.5Å; Y192-G196 PolarHBondContact O-N 3.42Å; G196-T198 PolarHBondContact O-N 2.94Å; G196-T199 VanDerWaalsContact O-CB 3.25Å; G196-T199 WeakPolarHBondContact O-CB 3.45Å; G196-T199 PolarHBondContact O-N 2.75Å; G196-T199 VanDerWaalsContact O-N 3.08Å; G196-T199 PolarHBondContact O-OG1 3.42Å |
| 197 | V | 77.4 | Confident | 83.9 | Confident | 92 Ų | 92 | 44.7 Ų | 44.7 | 56% | 0.558 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -33.1 | -170.8 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | T199 K200 | V197-T199 PolarHBondContact O-N 3.1Å; V197-K200 VanDerWaalsContact O-CB 3.3Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 3.06Å |
| 198 | T | 73.8 | Confident | 83.3 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -24.5 | 178.8 | -50.5 | 0 | 0 | 0 | 0 | 112.9 | G196 K200 D201 L202 L266 I270 | G196-T198 PolarHBondContact O-N 2.94Å; T198-K200 PolarHBondContact O-N 3.5Å; T198-D201 WeakPolarHBondContact O-CA 3.43Å; T198-D201 WeakPolarHBondContact O-CB 3.5Å; T198-D201 PolarHBondContact O-N 3.33Å; T198-L202 HydrophobicContact CG2-CD1 4.25Å; T198-L202 HydrophobicContact CG2-CG 4.46Å; T198-L202 WeakPolarHBondContact O-CG 3.5Å; T198-L202 PolarHBondContact O-N 2.84Å; T198-L202 VanDerWaalsContact O-N 3.12Å; T198-L266 HydrophobicContact CG2-CD2 4.42Å; T198-I270 HydrophobicContact CG2-CD1 4.14Å; T198-I270 HydrophobicContact CG2-CG1 3.94Å |
| 199 | T | 81.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.4 | -40.6 | 168.9 | -46.2 | 0 | 0 | 0 | 0 | 112.1 | F166 I188 V191 Y192 I195 G196 V197 D201 L202 L203 F218 | F166-T199 HydrophobicContact CE1-CG2 4.38Å; F166-T199 HydrophobicContact CZ-CG2 4.16Å; I188-T199 HydrophobicContact CG2-CG2 4.24Å; V191-T199 HydrophobicContact CG1-CG2 4.07Å; Y192-T199 WeakPolarHBondContact CA-OG1 3.4Å; Y192-T199 HydrophobicContact CD2-CG2 4.38Å; I195-T199 WeakPolarHBondContact CD1-OG1 3.37Å; I195-T199 WeakPolarHBondContact CG1-OG1 3.33Å; G196-T199 VanDerWaalsContact O-CB 3.25Å; G196-T199 WeakPolarHBondContact O-CB 3.45Å; G196-T199 PolarHBondContact O-N 2.75Å; G196-T199 VanDerWaalsContact O-N 3.08Å; G196-T199 PolarHBondContact O-OG1 3.42Å; V197-T199 PolarHBondContact O-N 3.1Å; T199-D201 VanDerWaalsContact C-N 3.3Å; T199-D201 PolarHBondContact O-N 3.15Å; T199-L202 PolarHBondContact O-N 3.49Å; T199-L203 HydrophobicContact CG2-CD1 3.79Å; T199-L203 HydrophobicContact CG2-CG 4.45Å; T199-L203 VanDerWaalsContact O-CG 3.23Å; T199-L203 WeakPolarHBondContact O-CG 3.29Å; T199-L203 PolarHBondContact O-N 2.94Å; T199-F218 HydrophobicContact CG2-CZ 4.01Å |
| 200 | K | 81.9 | Confident | 82.7 | Confident | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -33 | 177.5 | -63.7 | 173.4 | 174.7 | 170.1 | 0 | 111.4 | Y192 V197 T198 L202 M211 F218 | Y192-K200 HydrophobicContact CE2-CD 4.4Å; Y192-K200 HydrophobicContact CE2-CG 4.36Å; V197-K200 VanDerWaalsContact O-CB 3.3Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 3.06Å; T198-K200 PolarHBondContact O-N 3.5Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-M211 HydrophobicContact CB-CE 4.35Å; K200-M211 VanDerWaalsContact O-CE 3.22Å; K200-M211 WeakPolarHBondContact O-CE 3.42Å; K200-F218 HydrophobicContact CD-CD2 4.47Å; K200-F218 VanDerWaalsContact CE-CD2 3.47Å; K200-F218 HydrophobicContact CG-CD2 4.15Å; K200-F218 HydrophobicContact CG-CE2 3.97Å |
| 201 | D | 75.8 | Confident | 82.4 | Confident | 60 Ų | 60 | 55 Ų | 55 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.5 | -25.5 | 175.3 | -81.1 | -70.4 | 0 | 0 | 0 | 113.5 | T198 T199 K204 | T198-D201 WeakPolarHBondContact O-CA 3.43Å; T198-D201 WeakPolarHBondContact O-CB 3.5Å; T198-D201 PolarHBondContact O-N 3.33Å; T199-D201 VanDerWaalsContact C-N 3.3Å; T199-D201 PolarHBondContact O-N 3.15Å; D201-K204 VanDerWaalsContact CA-CE 3.46Å; D201-K204 VanDerWaalsContact O-CE 3.3Å; D201-K204 WeakPolarHBondContact O-CE 3.23Å; D201-K204 WeakPolarHBondContact O-CG 3.16Å; D201-K204 WeakPolarHBondContact OD1-CE 3.37Å; D201-K204 IonicContact OD1-NZ 2.78Å; D201-K204 PolarHBondContact OD1-NZ 3.23Å |
| 202 | L | 77.7 | Confident | 82.3 | Confident | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.199 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -91.4 | -6 | -179.5 | -62.4 | 168.6 | 0 | 0 | 0 | 114 | F166 I195 T198 T199 K200 M269 | F166-L202 HydrophobicContact CD1-CB 3.73Å; F166-L202 HydrophobicContact CD2-CD1 4.22Å; F166-L202 HydrophobicContact CE1-CB 3.4Å; F166-L202 HydrophobicContact CE1-CD1 4.17Å; F166-L202 HydrophobicContact CE1-CG 4.43Å; F166-L202 HydrophobicContact CE2-CB 4.32Å; F166-L202 HydrophobicContact CE2-CD1 3.6Å; F166-L202 HydrophobicContact CG-CB 4.35Å; F166-L202 HydrophobicContact CZ-CB 3.73Å; F166-L202 HydrophobicContact CZ-CD1 3.58Å; F166-L202 HydrophobicContact CZ-CG 4.31Å; I195-L202 HydrophobicContact CD1-CD1 4.03Å; T198-L202 HydrophobicContact CG2-CD1 4.25Å; T198-L202 HydrophobicContact CG2-CG 4.46Å; T198-L202 WeakPolarHBondContact O-CG 3.5Å; T198-L202 PolarHBondContact O-N 2.84Å; T198-L202 VanDerWaalsContact O-N 3.12Å; T199-L202 PolarHBondContact O-N 3.49Å; K200-L202 VanDerWaalsContact C-N 3.31Å; L202-M269 HydrophobicContact CD1-CB 3.78Å; L202-M269 HydrophobicContact CD1-CE 3.94Å; L202-M269 HydrophobicContact CD1-SD 4.09Å; L202-M269 HydrophobicContact CD2-CB 4Å; L202-M269 VanDerWaalsContact CD2-O 3.26Å; L202-M269 WeakPolarHBondContact CD2-O 3.31Å |
| 203 | L | 83.4 | Confident | 82.3 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | trans | -111.5 | 15.5 | -179.1 | -63.2 | 171.2 | 0 | 0 | 0 | 113.3 | F166 F169 I188 T199 D205 I206 M211 L214 F218 | F166-L203 HydrophobicContact CD1-CD2 3.84Å; F166-L203 HydrophobicContact CD1-CG 4.46Å; F166-L203 HydrophobicContact CE1-CD2 3.68Å; F166-L203 HydrophobicContact CE1-CG 3.91Å; F169-L203 HydrophobicContact CB-CD2 4.49Å; F169-L203 HydrophobicContact CD2-CD2 4.01Å; I188-L203 HydrophobicContact CD1-CD2 4.47Å; I188-L203 HydrophobicContact CG2-CD1 3.69Å; T199-L203 HydrophobicContact CG2-CD1 3.79Å; T199-L203 HydrophobicContact CG2-CG 4.45Å; T199-L203 VanDerWaalsContact O-CG 3.23Å; T199-L203 WeakPolarHBondContact O-CG 3.29Å; T199-L203 PolarHBondContact O-N 2.94Å; L203-D205 PolarHBondContact O-N 3.16Å; L203-I206 HydrophobicContact CB-CD1 3.94Å; L203-I206 HydrophobicContact CD2-CD1 3.39Å; L203-I206 HydrophobicContact CG-CD1 4.19Å; L203-I206 WeakPolarHBondContact O-CB 3.47Å; L203-I206 PolarHBondContact O-N 3.46Å; L203-I206 VanDerWaalsContact O-N 3.15Å; L203-M211 HydrophobicContact CB-CE 3.81Å; L203-M211 HydrophobicContact CB-SD 4.3Å; L203-L214 HydrophobicContact CD1-CD1 4.15Å; L203-F218 HydrophobicContact CD1-CZ 4.27Å | ||
| 204 | K | 77.2 | Confident | 82.4 | Confident | 126 Ų | 126 | 57.4 Ų | 57.4 | 55% | 0.548 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.6 | -172.2 | -68.4 | -177.7 | -167.5 | -173.5 | 0 | 114.7 | D201 I206 | D201-K204 VanDerWaalsContact CA-CE 3.46Å; D201-K204 VanDerWaalsContact O-CE 3.3Å; D201-K204 WeakPolarHBondContact O-CE 3.23Å; D201-K204 WeakPolarHBondContact O-CG 3.16Å; D201-K204 WeakPolarHBondContact OD1-CE 3.37Å; D201-K204 IonicContact OD1-NZ 2.78Å; D201-K204 PolarHBondContact OD1-NZ 3.23Å; K204-I206 VanDerWaalsContact C-N 3.27Å; K204-I206 PolarHBondContact O-N 2.86Å |
| 205 | D | 76.7 | Confident | 82.4 | Confident | 169 Ų | 169 | 56.8 Ų | 56.8 | 90% | 0.904 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.3 | -177.2 | -55 | -44 | 0 | 0 | 0 | 113.5 | L203 | L203-D205 PolarHBondContact O-N 3.16Š|
| 206 | I | 86.9 | Confident | 82.7 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -86.1 | 145.5 | 177.1 | -73.7 | 153.5 | 0 | 0 | 0 | 110.9 | L173 L203 K204 V210 | L173-I206 HydrophobicContact CD1-CD1 3.65Å; L173-I206 HydrophobicContact CD1-CG1 4.16Å; L173-I206 HydrophobicContact CD1-CG2 3.98Å; L203-I206 HydrophobicContact CB-CD1 3.94Å; L203-I206 HydrophobicContact CD2-CD1 3.39Å; L203-I206 HydrophobicContact CG-CD1 4.19Å; L203-I206 WeakPolarHBondContact O-CB 3.47Å; L203-I206 PolarHBondContact O-N 3.46Å; L203-I206 VanDerWaalsContact O-N 3.15Å; K204-I206 VanDerWaalsContact C-N 3.27Å; K204-I206 PolarHBondContact O-N 2.86Å; I206-V210 HydrophobicContact CG2-CB 3.91Å; I206-V210 HydrophobicContact CG2-CG1 4.08Å |
| 207 | K | 85.5 | Confident | 82.9 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 48% | 0.478 | 35% | 0.345 | S | S | . | . | trans | -48.9 | 128.2 | -178.8 | -68 | 171.5 | -173.8 | 161.9 | 0 | 111.8 | D174 V209 V210 M211 | D174-K207 WeakPolarHBondContact OD1-CE 3.31Å; D174-K207 IonicContact OD1-NZ 2.93Å; D174-K207 PolarHBondContact OD1-NZ 3.17Å; D174-K207 VanDerWaalsContact OD2-CE 3.23Å; D174-K207 WeakPolarHBondContact OD2-CE 3.41Å; D174-K207 IonicContact OD2-NZ 2.71Å; D174-K207 PolarHBondContact OD2-NZ 2.94Å; K207-V209 PolarHBondContact O-N 2.79Å; K207-V210 HydrophobicContact CB-CG2 4.43Å; K207-V210 PolarHBondContact O-N 3.42Å; K207-M211 PolarHBondContact O-N 3.39Å; K207-M211 VanDerWaalsContact O-N 3.13Å | ||
| 208 | P | 82.4 | Confident | 83.5 | Confident | 103 Ų | 103 | 61 Ų | 61 | 67% | 0.669 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -53.6 | -31 | -174 | -31.7 | 36.2 | 0 | 0 | 0 | 115.7 | M211 T212 | P208-M211 PolarHBondContact O-N 3.44Å; P208-T212 WeakPolarHBondContact O-CB 3.34Å; P208-T212 PolarHBondContact O-N 3.4Å; P208-T212 PolarHBondContact O-OG1 2.98Å |
| 209 | V | 84.8 | Confident | 83.9 | Confident | 106 Ų | 106 | 66 Ų | 66 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.9 | -49.6 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | K207 M211 T212 E213 | K207-V209 PolarHBondContact O-N 2.79Å; V209-M211 VanDerWaalsContact C-N 3.34Å; V209-M211 PolarHBondContact O-N 3.11Å; V209-T212 WeakPolarHBondContact O-CB 3.06Å; V209-T212 PolarHBondContact O-N 3.42Å; V209-T212 VanDerWaalsContact O-N 3.12Å; V209-E213 WeakPolarHBondContact O-CG 3.48Å; V209-E213 PolarHBondContact O-N 3.42Å |
| 210 | V | 87.4 | Confident | 83.8 | Confident | 22 Ų | 22 | 70 Ų | 70 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.6 | -35.9 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 111 | L173 I206 K207 T212 E213 L214 | L173-V210 HydrophobicContact CB-CG1 4.45Å; L173-V210 HydrophobicContact CD1-CG1 4.01Å; L173-V210 HydrophobicContact CD2-CG1 4.03Å; L173-V210 HydrophobicContact CG-CG1 4.4Å; I206-V210 HydrophobicContact CG2-CB 3.91Å; I206-V210 HydrophobicContact CG2-CG1 4.08Å; K207-V210 HydrophobicContact CB-CG2 4.43Å; K207-V210 PolarHBondContact O-N 3.42Å; V210-T212 VanDerWaalsContact C-N 3.28Å; V210-T212 PolarHBondContact O-N 2.97Å; V210-E213 PolarHBondContact O-N 3.46Å; V210-L214 HydrophobicContact CG1-CD1 4.25Å; V210-L214 WeakPolarHBondContact O-CB 3.27Å; V210-L214 VanDerWaalsContact O-CG 3.3Å; V210-L214 WeakPolarHBondContact O-CG 3.34Å; V210-L214 PolarHBondContact O-N 3.38Å |
| 211 | M | 86.5 | Confident | 83.6 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 17% | 0.172 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 172.2 | -176.8 | 58.6 | 124.1 | 0 | 0 | 112.1 | K200 L203 K207 P208 V209 C215 | K200-M211 HydrophobicContact CB-CE 4.35Å; K200-M211 VanDerWaalsContact O-CE 3.22Å; K200-M211 WeakPolarHBondContact O-CE 3.42Å; L203-M211 HydrophobicContact CB-CE 3.81Å; L203-M211 HydrophobicContact CB-SD 4.3Å; K207-M211 PolarHBondContact O-N 3.39Å; K207-M211 VanDerWaalsContact O-N 3.13Å; P208-M211 PolarHBondContact O-N 3.44Å; V209-M211 VanDerWaalsContact C-N 3.34Å; V209-M211 PolarHBondContact O-N 3.11Å; M211-C215 WeakPolarHBondContact O-CB 3.47Å; M211-C215 PolarHBondContact O-N 3.17Å; M211-C215 PolarHBondContact O-SG 3.49Å |
| 212 | T | 86 | Confident | 83.3 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.5 | -48.1 | 175.9 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | P208 V209 V210 L214 C215 E216 | P208-T212 WeakPolarHBondContact O-CB 3.34Å; P208-T212 PolarHBondContact O-N 3.4Å; P208-T212 PolarHBondContact O-OG1 2.98Å; V209-T212 WeakPolarHBondContact O-CB 3.06Å; V209-T212 PolarHBondContact O-N 3.42Å; V209-T212 VanDerWaalsContact O-N 3.12Å; V210-T212 VanDerWaalsContact C-N 3.28Å; V210-T212 PolarHBondContact O-N 2.97Å; T212-L214 VanDerWaalsContact C-N 3.3Å; T212-L214 PolarHBondContact O-N 3.43Å; T212-C215 WeakPolarHBondContact O-CB 3.37Å; T212-C215 PolarHBondContact O-N 2.94Å; T212-E216 PolarHBondContact O-N 2.8Å |
| 213 | E | 88.2 | Confident | 82.3 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | 174.6 | -63.5 | 175.4 | 115.8 | 0 | 0 | 112.1 | K185 V209 V210 E216 L217 | K185-E213 WeakPolarHBondContact CE-OE2 3.37Å; K185-E213 IonicContact NZ-OE1 3.95Å; K185-E213 PolarHBondContact NZ-OE1 3.44Å; K185-E213 IonicContact NZ-OE2 3.51Å; K185-E213 PolarHBondContact NZ-OE2 3Å; V209-E213 WeakPolarHBondContact O-CG 3.48Å; V209-E213 PolarHBondContact O-N 3.42Å; V210-E213 PolarHBondContact O-N 3.46Å; E213-E216 PolarHBondContact O-N 3.3Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 2.76Å; E213-L217 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 89.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 174.3 | -75 | 170.4 | 0 | 0 | 0 | 111.7 | L173 K185 I188 L203 V210 T212 E216 L217 F218 | L173-L214 HydrophobicContact CD1-CD1 4.38Å; K185-L214 HydrophobicContact CB-CD2 4.15Å; K185-L214 HydrophobicContact CG-CD2 4.03Å; I188-L214 HydrophobicContact CB-CD2 4.13Å; I188-L214 HydrophobicContact CD1-CD1 4.29Å; I188-L214 HydrophobicContact CG2-CD1 4.16Å; I188-L214 HydrophobicContact CG2-CD2 3.77Å; L203-L214 HydrophobicContact CD1-CD1 4.15Å; V210-L214 HydrophobicContact CG1-CD1 4.25Å; V210-L214 WeakPolarHBondContact O-CB 3.27Å; V210-L214 VanDerWaalsContact O-CG 3.3Å; V210-L214 WeakPolarHBondContact O-CG 3.34Å; V210-L214 PolarHBondContact O-N 3.38Å; T212-L214 VanDerWaalsContact C-N 3.3Å; T212-L214 PolarHBondContact O-N 3.43Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-E216 PolarHBondContact O-N 2.91Å; L214-L217 PolarHBondContact O-N 3.19Å; L214-F218 HydrophobicContact CB-CE2 3.92Å; L214-F218 HydrophobicContact CB-CZ 3.96Å; L214-F218 HydrophobicContact CD2-CZ 4.41Å; L214-F218 WeakPolarHBondContact O-CB 3.5Å; L214-F218 WeakPolarHBondContact O-CD1 3.43Å; L214-F218 WeakPolarHBondContact O-CD2 3.43Å; L214-F218 WeakPolarHBondContact O-CG 3.41Å; L214-F218 PolarHBondContact O-N 3.17Å |
| 215 | C | 86 | Confident | 80.4 | Confident | 34 Ų | 34 | 83 Ų | 83 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 175.4 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | M211 T212 N219 | M211-C215 WeakPolarHBondContact O-CB 3.47Å; M211-C215 PolarHBondContact O-N 3.17Å; M211-C215 PolarHBondContact O-SG 3.49Å; T212-C215 WeakPolarHBondContact O-CB 3.37Å; T212-C215 PolarHBondContact O-N 2.94Å; C215-N219 WeakPolarHBondContact O-CB 3.48Å; C215-N219 PolarHBondContact O-N 3.11Å; C215-N219 VanDerWaalsContact O-N 3.13Å; C215-N219 PolarHBondContact O-ND2 3.2Å; C215-N219 PolarHBondContact O-OD1 2.88Å |
| 216 | E | 86.3 | Confident | 80.4 | Confident | 142 Ų | 142 | 76.1 Ų | 76.1 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 172 | -67.3 | -169.1 | 145.5 | 0 | 0 | 111.8 | T212 E213 L214 N219 S220 | T212-E216 PolarHBondContact O-N 2.8Å; E213-E216 PolarHBondContact O-N 3.3Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-E216 PolarHBondContact O-N 2.91Å; E216-N219 PolarHBondContact O-N 3.23Å; E216-S220 PolarHBondContact O-N 3.48Å |
| 217 | L | 87.1 | Confident | 79.7 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.3 | -69 | 169.5 | 0 | 0 | 0 | 111.9 | K185 V189 E213 L214 N219 S220 | K185-L217 HydrophobicContact CB-CD1 4.33Å; V189-L217 HydrophobicContact CG2-CB 3.7Å; V189-L217 HydrophobicContact CG2-CD1 4.11Å; V189-L217 HydrophobicContact CG2-CG 4.46Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 2.76Å; E213-L217 VanDerWaalsContact O-N 3.11Å; L214-L217 PolarHBondContact O-N 3.19Å; L217-N219 PolarHBondContact O-N 3.19Å; L217-S220 WeakPolarHBondContact O-CB 3.3Å; L217-S220 PolarHBondContact O-N 2.67Å; L217-S220 PolarHBondContact O-OG 3.41Å |
| 218 | F | 90 | Very high | 79.1 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.026 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.3 | -35.6 | 177.2 | -62.4 | -29.6 | 0 | 0 | 0 | 112.8 | I188 V189 Y192 T199 K200 L203 L214 S220 I221 | I188-F218 HydrophobicContact CG2-CE1 3.9Å; I188-F218 HydrophobicContact CG2-CZ 3.69Å; V189-F218 HydrophobicContact CG2-CD1 4.36Å; V189-F218 HydrophobicContact CG2-CE1 4.37Å; Y192-F218 VanDerWaalsContact CB-CD1 3.47Å; Y192-F218 HydrophobicContact CD1-CB 4.11Å; Y192-F218 AromaticContact CD1-CD1 3.9Å; Y192-F218 HydrophobicContact CD1-CD1 3.9Å; Y192-F218 HydrophobicContact CD1-CG 4.13Å; Y192-F218 HydrophobicContact CD2-CB 4.05Å; Y192-F218 AromaticContact CD2-CD1 3.46Å; Y192-F218 HydrophobicContact CD2-CD1 3.46Å; Y192-F218 VanDerWaalsContact CD2-CD1 3.46Å; Y192-F218 AromaticContact CD2-CD2 3.63Å; Y192-F218 HydrophobicContact CD2-CD2 3.63Å; Y192-F218 AromaticContact CD2-CE1 3.68Å; Y192-F218 HydrophobicContact CD2-CE1 3.68Å; Y192-F218 AromaticContact CD2-CE2 3.84Å; Y192-F218 HydrophobicContact CD2-CE2 3.84Å; Y192-F218 AromaticContact CD2-CG 3.43Å; Y192-F218 HydrophobicContact CD2-CG 3.43Å; Y192-F218 VanDerWaalsContact CD2-CG 3.43Å; Y192-F218 AromaticContact CD2-CZ 3.85Å; Y192-F218 HydrophobicContact CD2-CZ 3.85Å; Y192-F218 HydrophobicContact CE1-CB 3.87Å; Y192-F218 HydrophobicContact CE1-CG 4.29Å; Y192-F218 HydrophobicContact CE2-CB 3.84Å; Y192-F218 HydrophobicContact CE2-CD1 4.15Å; Y192-F218 AromaticContact CE2-CD2 3.73Å; Y192-F218 HydrophobicContact CE2-CD2 3.73Å; Y192-F218 HydrophobicContact CE2-CE2 4.27Å; Y192-F218 AromaticContact CE2-CG 3.65Å; Y192-F218 HydrophobicContact CE2-CG 3.65Å; Y192-F218 HydrophobicContact CG-CB 4.19Å; Y192-F218 AromaticContact CG-CD1 3.32Å; Y192-F218 HydrophobicContact CG-CD1 3.32Å; Y192-F218 HydrophobicContact CG-CD2 4.35Å; Y192-F218 AromaticContact CG-CE1 3.67Å; Y192-F218 HydrophobicContact CG-CE1 3.67Å; Y192-F218 AromaticContact CG-CG 3.71Å; Y192-F218 HydrophobicContact CG-CG 3.71Å; Y192-F218 HydrophobicContact CG-CZ 4.3Å; T199-F218 HydrophobicContact CG2-CZ 4.01Å; K200-F218 HydrophobicContact CD-CD2 4.47Å; K200-F218 VanDerWaalsContact CE-CD2 3.47Å; K200-F218 HydrophobicContact CG-CD2 4.15Å; K200-F218 HydrophobicContact CG-CE2 3.97Å; L203-F218 HydrophobicContact CD1-CZ 4.27Å; L214-F218 HydrophobicContact CB-CE2 3.92Å; L214-F218 HydrophobicContact CB-CZ 3.96Å; L214-F218 HydrophobicContact CD2-CZ 4.41Å; L214-F218 WeakPolarHBondContact O-CB 3.5Å; L214-F218 WeakPolarHBondContact O-CD1 3.43Å; L214-F218 WeakPolarHBondContact O-CD2 3.43Å; L214-F218 WeakPolarHBondContact O-CG 3.41Å; L214-F218 PolarHBondContact O-N 3.17Å; F218-S220 PolarHBondContact O-N 3.29Å; F218-I221 HydrophobicContact CD1-CD1 4.43Å |
| 219 | N | 80.6 | Confident | 79.1 | Confident | 126 Ų | 126 | 76.1 Ų | 76.1 | 67% | 0.674 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -4.5 | 177.7 | -64.4 | -11.4 | 0 | 0 | 0 | 113.4 | C215 E216 L217 | C215-N219 WeakPolarHBondContact O-CB 3.48Å; C215-N219 PolarHBondContact O-N 3.11Å; C215-N219 VanDerWaalsContact O-N 3.13Å; C215-N219 PolarHBondContact O-ND2 3.2Å; C215-N219 PolarHBondContact O-OD1 2.88Å; E216-N219 PolarHBondContact O-N 3.23Å; L217-N219 PolarHBondContact O-N 3.19Å |
| 220 | S | 80 | Confident | 79.2 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 60% | 0.601 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -2.6 | 177 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | E216 L217 F218 | E216-S220 PolarHBondContact O-N 3.48Å; L217-S220 WeakPolarHBondContact O-CB 3.3Å; L217-S220 PolarHBondContact O-N 2.67Å; L217-S220 PolarHBondContact O-OG 3.41Å; F218-S220 PolarHBondContact O-N 3.29Å |
| 221 | I | 78.4 | Confident | 78.9 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -79.7 | 132.8 | -179.3 | -53.6 | 169 | 0 | 0 | 0 | 109.2 | V189 Y192 R193 F218 | V189-I221 HydrophobicContact CG1-CD1 3.96Å; V189-I221 HydrophobicContact CG1-CG1 4.23Å; Y192-I221 HydrophobicContact CD1-CD1 3.57Å; Y192-I221 HydrophobicContact CE1-CD1 4.22Å; Y192-I221 HydrophobicContact CG-CD1 4.37Å; R193-I221 HydrophobicContact CG-CG2 4.37Å; F218-I221 HydrophobicContact CD1-CD1 4.43Å |
| 222 | P | 68.2 | Low | 78.9 | Confident | 92 Ų | 92 | 75 Ų | 75 | 60% | 0.597 | 40% | 0.398 | S | S | * | . | trans | -57.2 | 148.8 | 172.2 | -25.1 | 34.9 | 0 | 0 | 0 | 112.5 | E224 | P222-E224 PolarHBondContact O-N 2.86Š| ||
| 223 | P | 56.8 | Low | 78.5 | Confident | 128 Ų | 128 | 76.3 Ų | 76.3 | 83% | 0.831 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -73.4 | 7 | -176.8 | 31.7 | -37.4 | 0 | 0 | 0 | 114.7 | ||
| 224 | E | 61.4 | Low | 77.8 | Confident | 164 Ų | 164 | 76.7 Ų | 76.7 | 77% | 0.766 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 122.4 | -177.5 | -170.5 | 169.1 | -140.2 | 0 | 0 | 110.7 | P222 | P222-E224 PolarHBondContact O-N 2.86Š|
| 225 | K | 59.6 | Low | 76.9 | Confident | 129 Ų | 129 | 80.4 Ų | 80.4 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 140 | -177.5 | -72.4 | -164.8 | -179.3 | 169 | 0 | 111.2 | S506 | K225-S506 VanDerWaalsContact CE-CB 3.45Å; K225-S506 WeakPolarHBondContact CE-OG 3.26Å; K225-S506 VanDerWaalsContact NZ-CB 3.34Å; K225-S506 PolarHBondContact NZ-OG 2.84Å |
| 226 | P | 75.8 | Confident | 75.8 | Confident | 25 Ų | 25 | 83.7 Ų | 83.7 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 145 | 178.7 | 29.6 | -36.5 | 0 | 0 | 0 | 111.9 | R193 W194 | R193-P226 HydrophobicContact CG-CB 4.18Å; R193-P226 HydrophobicContact CG-CG 4.19Å; R193-P226 WeakPolarHBondContact O-CD 3.27Å; R193-P226 VanDerWaalsContact O-CG 3.25Å; R193-P226 WeakPolarHBondContact O-CG 3.18Å; W194-P226 HydrophobicContact CB-CG 4.5Å; W194-P226 HydrophobicContact CD2-CB 3.76Å; W194-P226 HydrophobicContact CD2-CG 3.49Å; W194-P226 VanDerWaalsContact CD2-CG 3.49Å; W194-P226 HydrophobicContact CE3-CB 3.89Å; W194-P226 HydrophobicContact CE3-CG 3.46Å; W194-P226 VanDerWaalsContact CE3-CG 3.46Å; W194-P226 HydrophobicContact CG-CB 4.46Å; W194-P226 HydrophobicContact CG-CG 3.97Å; W194-P226 HydrophobicContact CH2-CB 3.86Å; W194-P226 HydrophobicContact CH2-CG 4.35Å; W194-P226 HydrophobicContact CZ2-CB 3.71Å; W194-P226 HydrophobicContact CZ2-CG 4.36Å; W194-P226 HydrophobicContact CZ3-CB 3.93Å; W194-P226 HydrophobicContact CZ3-CG 3.91Å |
| 227 | V | 73.2 | Confident | 73.4 | Confident | 97 Ų | 97 | 81.3 Ų | 81.3 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | trans | -129.5 | 144.1 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 228 | R | 73.6 | Confident | 70.9 | Confident | 26 Ų | 26 | 88 Ų | 88 | 10% | 0.098 | 46% | 0.457 | C | S | . | . | trans | -65.8 | 133.7 | 176.5 | -63.9 | -176.8 | -178.4 | 124.1 | 24.6 | 110.4 | F155 T158 W194 Y231 D262 | F155-R228 WeakPolarHBondContact O-CD 3.46Å; F155-R228 WeakPolarHBondContact O-CG 3.4Å; F155-R228 PolarHBondContact O-NE 3.34Å; T158-R228 VanDerWaalsContact OG1-CZ 3.3Å; T158-R228 PolarHBondContact OG1-NH2 3.29Å; W194-R228 HydrophobicContact CH2-CG 4.09Å; R228-Y231 HydrophobicContact CB-CE1 4.15Å; R228-Y231 PolarHBondContact O-OH 3.35Å; R228-D262 IonicContact CZ-OD2 2.8Å; R228-D262 IonicContact NH1-OD2 3.83Å; R228-D262 PolarHBondContact NH1-OD2 2.92Å; R228-D262 IonicContact NH2-OD2 3.07Å; R228-D262 PolarHBondContact NH2-OD2 3.3Å | ||
| 229 | L | 81.9 | Confident | 68.1 | Low | 116 Ų | 116 | 95.5 Ų | 95.5 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -104.7 | -17.6 | 177.8 | -58.6 | 178.8 | 0 | 0 | 0 | 112.1 | L154 | L154-L229 HydrophobicContact CD2-CB 3.93Å; L154-L229 HydrophobicContact CD2-CD1 4.24Å; L154-L229 PolarHBondContact O-N 3.17Å |
| 230 | R | 86.1 | Confident | 65.6 | Low | 48 Ų | 48 | 97.3 Ų | 97.3 | 18% | 0.181 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -131.9 | 154.4 | 171.1 | -63.8 | 177.9 | 104.2 | 146.3 | 5.2 | 109.9 | E111 E118 L154 F155 | E111-R230 VanDerWaalsContact CD-NH1 3.32Å; E111-R230 IonicContact OE1-CZ 2.66Å; E111-R230 IonicContact OE1-NH1 3.73Å; E111-R230 PolarHBondContact OE1-NH1 3.19Å; E111-R230 VanDerWaalsContact OE1-NH1 3.09Å; E111-R230 IonicContact OE1-NH2 2.88Å; E111-R230 PolarHBondContact OE1-NH2 3.37Å; E111-R230 IonicContact OE2-CZ 2.69Å; E111-R230 IonicContact OE2-NH1 2.76Å; E111-R230 PolarHBondContact OE2-NH1 3.34Å; E111-R230 IonicContact OE2-NH2 3.24Å; E118-R230 IonicContact OE1-CZ 2.74Å; E118-R230 IonicContact OE1-NE 3.67Å; E118-R230 PolarHBondContact OE1-NE 3.14Å; E118-R230 IonicContact OE1-NH2 2.77Å; E118-R230 PolarHBondContact OE1-NH2 3.44Å; L154-R230 HydrophobicContact CB-CB 4.34Å; L154-R230 HydrophobicContact CB-CG 4.31Å; L154-R230 HydrophobicContact CD2-CG 4.39Å; L154-R230 PolarHBondContact O-N 3.16Å; F155-R230 HydrophobicContact CD1-CB 3.89Å; F155-R230 WeakPolarHBondContact CD1-O 3.37Å; F155-R230 HydrophobicContact CE1-CB 3.42Å; F155-R230 VanDerWaalsContact CE1-CB 3.42Å; F155-R230 HydrophobicContact CE2-CB 4.19Å; F155-R230 HydrophobicContact CG-CB 4.45Å; F155-R230 HydrophobicContact CZ-CB 3.6Å; F155-R230 HydrophobicContact CZ-CG 4.44Å |
| 231 | Y | 82.7 | Confident | 63.2 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 31% | 0.314 | 51% | 0.511 | S | S | . | . | trans | -133.8 | 147.6 | -173.6 | -64.5 | -94.9 | 0 | 0 | 0 | 109.9 | R228 | R228-Y231 HydrophobicContact CB-CE1 4.15Å; R228-Y231 PolarHBondContact O-OH 3.35Å | ||
| 232 | L | 84.6 | Confident | 60.6 | Low | 10 Ų | 10 | 102.7 Ų | 102.7 | 5% | 0.052 | 54% | 0.536 | C | S | . | . | trans | -57.9 | 149 | 167 | -56.3 | -177.9 | 0 | 0 | 0 | 109.6 | I117 E120 V159 S234 Q235 K236 | I117-L232 HydrophobicContact CG2-CD2 4.16Å; I117-L232 WeakPolarHBondContact O-CD2 3.4Å; E120-L232 HydrophobicContact CG-CB 4.02Å; E120-L232 HydrophobicContact CG-CD1 4.42Å; E120-L232 HydrophobicContact CG-CD2 4.48Å; V159-L232 HydrophobicContact CG1-CD2 4.02Å; V159-L232 HydrophobicContact CG2-CD1 4.26Å; V159-L232 HydrophobicContact CG2-CD2 4.4Å; V159-L232 HydrophobicContact CG2-CG 4.21Å; L232-S234 VanDerWaalsContact C-N 3.29Å; L232-S234 PolarHBondContact O-N 3.07Å; L232-Q235 HydrophobicContact CB-CB 4.22Å; L232-Q235 HydrophobicContact CB-CG 4.09Å; L232-Q235 CarbonylContact O-C 3.45Å; L232-Q235 WeakPolarHBondContact O-CA 3.25Å; L232-Q235 WeakPolarHBondContact O-CB 3.24Å; L232-Q235 PolarHBondContact O-N 3.2Å; L232-K236 PolarHBondContact O-N 2.93Å | ||
| 233 | R | 78.7 | Confident | 58.5 | Low | 112 Ų | 112 | 105.4 Ų | 105.4 | 42% | 0.423 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -57.3 | -38 | -175.9 | -79.6 | -176 | -178.3 | -169.1 | 1.9 | 113.3 | E77 E118 Q235 | E77-R233 PolarHBondContact O-NH1 3.37Å; E77-R233 VanDerWaalsContact O-NH1 3.07Å; E77-R233 PolarHBondContact O-NH2 3.2Å; E118-R233 WeakPolarHBondContact O-CG 3.42Å; E118-R233 PolarHBondContact O-N 3.09Å; R233-Q235 VanDerWaalsContact C-N 3.29Å; R233-Q235 PolarHBondContact O-N 3.01Å |
| 234 | S | 73.4 | Confident | 57.1 | Low | 89 Ų | 89 | 106 Ų | 106 | 62% | 0.622 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -67 | -20.9 | 171.4 | 51 | 0 | 0 | 0 | 0 | 115.2 | E120 L232 | E120-S234 WeakPolarHBondContact OE1-CB 3.48Å; E120-S234 PolarHBondContact OE1-N 3.41Å; E120-S234 PolarHBondContact OE1-OG 2.87Å; L232-S234 VanDerWaalsContact C-N 3.29Å; L232-S234 PolarHBondContact O-N 3.07Å |
| 235 | Q | 70.6 | Confident | 55.3 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -99.1 | -2.5 | -177.2 | -66.4 | -179.2 | -12.1 | 0 | 0 | 113.7 | L232 R233 P237 | L232-Q235 HydrophobicContact CB-CB 4.22Å; L232-Q235 HydrophobicContact CB-CG 4.09Å; L232-Q235 CarbonylContact O-C 3.45Å; L232-Q235 WeakPolarHBondContact O-CA 3.25Å; L232-Q235 WeakPolarHBondContact O-CB 3.24Å; L232-Q235 PolarHBondContact O-N 3.2Å; R233-Q235 VanDerWaalsContact C-N 3.29Å; R233-Q235 PolarHBondContact O-N 3.01Å; Q235-P237 WeakPolarHBondContact O-CD 3.12Å |
| 236 | K | 61.9 | Low | 53.6 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -64.7 | 123.4 | 178 | -69.8 | -171.8 | 179.7 | -169.3 | 0 | 109.7 | E118 L232 K238 | E118-K236 WeakPolarHBondContact OE2-CE 3.47Å; E118-K236 IonicContact OE2-NZ 3.37Å; E118-K236 PolarHBondContact OE2-NZ 3.04Å; L232-K236 PolarHBondContact O-N 2.93Å; K236-K238 PolarHBondContact O-N 3.01Å |
| 237 | P | 37.8 | Very low | 51.2 | Low | 93 Ų | 93 | 108.1 Ų | 108.1 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | trans | -56.2 | 139.7 | 179.3 | -26.4 | 35.3 | 0 | 0 | 0 | 111.6 | Q235 E239 | Q235-P237 WeakPolarHBondContact O-CD 3.12Å; P237-E239 PolarHBondContact O-N 3.21Å | ||
| 238 | K | 34.2 | Very low | 48.9 | Very low | 202 Ų | 202 | 110.9 Ų | 110.9 | 88% | 0.878 | 59% | 0.594 | S | S | * | * | trans | -70.7 | 96.7 | 176.5 | -70.8 | -176.9 | 178.2 | 179.3 | 0 | 109.9 | K236 I240 | K236-K238 PolarHBondContact O-N 3.01Å; K238-I240 PolarHBondContact O-N 2.8Å | ||
| 239 | E | 30.5 | Very low | 46.8 | Very low | 163 Ų | 163 | 112.9 Ų | 112.9 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | trans | -61.4 | 126.1 | 170.5 | -64.6 | -172.3 | 141.6 | 0 | 0 | 109.7 | P237 T241 | P237-E239 PolarHBondContact O-N 3.21Å; E239-T241 PolarHBondContact O-N 2.65Å; E239-T241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | I | 28.3 | Very low | 44.6 | Very low | 164 Ų | 164 | 114 Ų | 114 | 84% | 0.841 | 64% | 0.637 | S | S | * | * | trans | -82.8 | 93.5 | -176.3 | -60.4 | 170.6 | 0 | 0 | 0 | 108.1 | K238 S242 | K238-I240 PolarHBondContact O-N 2.8Å; I240-S242 PolarHBondContact O-N 3.33Å | ||
| 241 | T | 30.3 | Very low | 41.7 | Very low | 136 Ų | 136 | 117 Ų | 117 | 83% | 0.834 | 67% | 0.665 | S | S | * | * | trans | -67.4 | 110 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | E239 | E239-T241 PolarHBondContact O-N 2.65Å; E239-T241 VanDerWaalsContact O-N 3.12Å | ||
| 242 | S | 23.9 | Very low | 39 | Very low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | trans | -86.7 | 110.6 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | I240 | I240-S242 PolarHBondContact O-N 3.33Š| ||
| 243 | D | 23.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -172.4 | 142 | 136 | -105.9 | -27.9 | 0 | 0 | 0 | 112.9 | ||||
| 244 | T | 26 | Very low | 33.5 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | trans | 55.9 | 132.1 | 169.9 | 63 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 245 | G | 24.5 | Very low | 31.3 | Very low | 62 Ų | 62 | 126.7 Ų | 126.7 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | cis | 172.7 | 157 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 246 | T | 24.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 67.2 | 129.7 | 168.7 | 25 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 247 | E | 24 | Very low | 27.6 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 79.1 | 100.3 | 148.1 | -63 | -173.4 | -163.9 | 0 | 0 | 123 | ||||
| 248 | N | 25.2 | Very low | 27 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | 63.5 | 94.8 | 123.5 | -58.7 | -26.3 | 0 | 0 | 0 | 120.8 | |||||
| 249 | G | 29 | Very low | 26.6 | Very low | 68 Ų | 68 | 127.1 Ų | 127.1 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -177.1 | 101.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S251 | G249-S251 PolarHBondContact O-N 3.06Š| ||
| 250 | P | 36.6 | Very low | 26.6 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 107.3 | -179.8 | 32.8 | -31.2 | 0 | 0 | 0 | 112 | ||||
| 251 | S | 24.8 | Very low | 26.8 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -147 | 157.2 | 165.2 | 55 | 0 | 0 | 0 | 0 | 110.5 | G249 | G249-S251 PolarHBondContact O-N 3.06Š| ||
| 252 | D | 26.2 | Very low | 27.2 | Very low | 166 Ų | 166 | 118.7 Ų | 118.7 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -43.8 | 128.8 | -155.7 | -68 | -69.6 | 0 | 0 | 0 | 117.5 | A254 | D252-A254 PolarHBondContact O-N 3.25Å; D252-A254 VanDerWaalsContact O-N 3.14Å | ||
| 253 | G | 23.7 | Very low | 27.6 | Very low | 74 Ų | 74 | 122.4 Ų | 122.4 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 105 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I255 | G253-I255 PolarHBondContact O-N 3.28Š| ||
| 254 | A | 25 | Very low | 28.6 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 126.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D252 | D252-A254 PolarHBondContact O-N 3.25Å; D252-A254 VanDerWaalsContact O-N 3.14Å |
| 255 | I | 27.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 134.3 | 179.2 | -61.3 | 174.4 | 0 | 0 | 0 | 108.7 | G253 | G253-I255 PolarHBondContact O-N 3.28Š|
| 256 | P | 27.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 140.8 | -176.8 | -25.4 | 35.2 | 0 | 0 | 0 | 112.8 | ||
| 257 | G | 26.5 | Very low | 31.6 | Very low | 76 Ų | 76 | 112.1 Ų | 112.1 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 258 | E | 25.1 | Very low | 33 | Very low | 183 Ų | 183 | 107.9 Ų | 107.9 | 86% | 0.855 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 134.2 | 174.8 | -61.3 | 173.6 | 127.7 | 0 | 0 | 110.9 | L260 | E258-L260 PolarHBondContact O-N 2.87Š|
| 259 | T | 27.5 | Very low | 34 | Very low | 104 Ų | 104 | 101.5 Ų | 101.5 | 64% | 0.638 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117.2 | 167.4 | 32 | 0 | 0 | 0 | 0 | 108.9 | T261 | T259-T261 VanDerWaalsContact C-N 3.29Å; T259-T261 PolarHBondContact O-N 2.9Å |
| 260 | L | 29.9 | Very low | 35.3 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 71% | 0.712 | 60% | 0.596 | S | S | * | * | trans | -63.9 | 82.7 | -178.1 | -70.1 | 170.6 | 0 | 0 | 0 | 112 | E258 D262 | E258-L260 PolarHBondContact O-N 2.87Å; L260-D262 PolarHBondContact O-N 2.9Å | ||
| 261 | T | 31.9 | Very low | 36.2 | Very low | 86 Ų | 86 | 98 Ų | 98 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | trans | -74.5 | 73.7 | 165.9 | 55.3 | 0 | 0 | 0 | 0 | 108.7 | T259 Q263 | T259-T261 VanDerWaalsContact C-N 3.29Å; T259-T261 PolarHBondContact O-N 2.9Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 3.44Å | ||
| 262 | D | 38.6 | Very low | 38.2 | Very low | 64 Ų | 64 | 95.2 Ų | 95.2 | 34% | 0.342 | 57% | 0.565 | S | S | . | * | trans | -62.3 | 93.5 | 176.9 | -66.7 | -33.2 | 0 | 0 | 0 | 109.8 | T158 R228 L260 V264 | T158-D262 HydrophobicContact CG2-CB 3.82Å; R228-D262 IonicContact CZ-OD2 2.8Å; R228-D262 IonicContact NH1-OD2 3.83Å; R228-D262 PolarHBondContact NH1-OD2 2.92Å; R228-D262 IonicContact NH2-OD2 3.07Å; R228-D262 PolarHBondContact NH2-OD2 3.3Å; L260-D262 PolarHBondContact O-N 2.9Å; D262-V264 PolarHBondContact O-N 2.84Å; D262-V264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | Q | 33.4 | Very low | 40.6 | Very low | 181 Ų | 181 | 89.6 Ų | 89.6 | 85% | 0.846 | 54% | 0.537 | S | S | * | . | trans | -65.4 | 107.9 | 161.3 | -62.8 | -173.6 | 42.5 | 0 | 0 | 106.4 | T261 D265 | T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 3.44Å; Q263-D265 PolarHBondContact O-N 3.46Å | ||
| 264 | V | 43.4 | Very low | 43.4 | Very low | 38 Ų | 38 | 91.1 Ų | 91.1 | 23% | 0.23 | 52% | 0.524 | C | S | . | . | trans | -53.4 | 129.2 | 163.2 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | P157 I195 D262 L266 | P157-V264 HydrophobicContact CB-CG2 3.66Å; P157-V264 HydrophobicContact CG-CG2 3.24Å; I195-V264 HydrophobicContact CG2-CB 4.21Å; I195-V264 HydrophobicContact CG2-CG1 4.22Å; I195-V264 HydrophobicContact CG2-CG2 4.39Å; D262-V264 PolarHBondContact O-N 2.84Å; D262-V264 VanDerWaalsContact O-N 3.09Å; V264-L266 VanDerWaalsContact C-N 3.25Å; V264-L266 WeakPolarHBondContact O-CG 3.12Å; V264-L266 PolarHBondContact O-N 3.07Å | ||
| 265 | D | 44.9 | Very low | 46.4 | Very low | 110 Ų | 110 | 86.5 Ų | 86.5 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | trans | -70 | 89.3 | 176.7 | -168.2 | -7.9 | 0 | 0 | 0 | 109.4 | Q263 D267 D268 | Q263-D265 PolarHBondContact O-N 3.46Å; D265-D267 PolarHBondContact O-N 3.41Å; D265-D267 VanDerWaalsContact O-N 3.16Å; D265-D267 PolarHBondContact OD1-N 3.25Å; D265-D268 PolarHBondContact O-N 2.94Å | ||
| 266 | L | 44.6 | Very low | 49.1 | Very low | 62 Ų | 62 | 81.6 Ų | 81.6 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -55.6 | -31.2 | -174.1 | -73.3 | 158.5 | 0 | 0 | 0 | 112 | I195 T198 V264 D268 M269 | I195-L266 HydrophobicContact CB-CD2 3.52Å; I195-L266 HydrophobicContact CG2-CD2 3.84Å; I195-L266 WeakPolarHBondContact O-CD2 3.45Å; T198-L266 HydrophobicContact CG2-CD2 4.42Å; V264-L266 VanDerWaalsContact C-N 3.25Å; V264-L266 WeakPolarHBondContact O-CG 3.12Å; V264-L266 PolarHBondContact O-N 3.07Å; L266-D268 PolarHBondContact O-N 2.95Å; L266-M269 PolarHBondContact O-N 3.44Å |
| 267 | D | 50 | Low | 51.8 | Low | 62 Ų | 62 | 79.7 Ų | 79.7 | 33% | 0.332 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -65.8 | -29.1 | -179.9 | -73.2 | -17.7 | 0 | 0 | 0 | 112.2 | D265 M269 R310 K351 | D265-D267 PolarHBondContact O-N 3.41Å; D265-D267 VanDerWaalsContact O-N 3.16Å; D265-D267 PolarHBondContact OD1-N 3.25Å; D267-M269 VanDerWaalsContact C-N 3.33Å; D267-M269 PolarHBondContact O-N 2.92Å; D267-R310 WeakPolarHBondContact O-CD 3.49Å; D267-R310 PolarHBondContact O-NE 3.45Å; D267-R310 PolarHBondContact O-NH1 3.4Å; D267-K351 IonicContact OD1-NZ 2.75Å; D267-K351 PolarHBondContact OD1-NZ 3.17Å; D267-K351 WeakPolarHBondContact OD2-CD 3.49Å; D267-K351 WeakPolarHBondContact OD2-CE 3.38Å; D267-K351 IonicContact OD2-NZ 2.67Å; D267-K351 PolarHBondContact OD2-NZ 3.16Å |
| 268 | D | 51.9 | Low | 54.6 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -83.9 | -7 | -173.7 | -162.4 | 48.8 | 0 | 0 | 0 | 114.2 | K163 D265 L266 R310 | K163-D268 WeakPolarHBondContact CE-O 3.4Å; K163-D268 PolarHBondContact NZ-O 3.19Å; K163-D268 IonicContact NZ-OD2 2.69Å; K163-D268 PolarHBondContact NZ-OD2 3.45Å; D265-D268 PolarHBondContact O-N 2.94Å; L266-D268 PolarHBondContact O-N 2.95Å; D268-R310 PolarHBondContact O-NH1 3.28Å; D268-R310 IonicContact OD1-CZ 3.87Å; D268-R310 IonicContact OD1-NH1 2.68Å; D268-R310 PolarHBondContact OD1-NH1 2.73Å; D268-R310 IonicContact OD1-NH2 2.77Å; D268-R310 PolarHBondContact OD1-NH2 2.67Å |
| 269 | M | 47.1 | Very low | 57.6 | Low | 23 Ų | 23 | 73.4 Ų | 73.4 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -28.5 | 171.1 | -59.8 | -167.1 | 74.6 | 0 | 0 | 112.9 | I162 K163 F166 I195 L202 L266 D267 T271 | I162-M269 HydrophobicContact CB-CE 3.98Å; I162-M269 HydrophobicContact CG2-CE 4.14Å; K163-M269 HydrophobicContact CB-CE 4.47Å; K163-M269 HydrophobicContact CG-CE 3.76Å; K163-M269 HydrophobicContact CG-CG 4.17Å; F166-M269 HydrophobicContact CD2-CE 3.64Å; F166-M269 HydrophobicContact CE2-CE 3.54Å; I195-M269 HydrophobicContact CD1-SD 4.2Å; L202-M269 HydrophobicContact CD1-CB 3.78Å; L202-M269 HydrophobicContact CD1-CE 3.94Å; L202-M269 HydrophobicContact CD1-SD 4.09Å; L202-M269 HydrophobicContact CD2-CB 4Å; L202-M269 VanDerWaalsContact CD2-O 3.26Å; L202-M269 WeakPolarHBondContact CD2-O 3.31Å; L266-M269 PolarHBondContact O-N 3.44Å; D267-M269 VanDerWaalsContact C-N 3.33Å; D267-M269 PolarHBondContact O-N 2.92Å; M269-T271 PolarHBondContact O-N 3.43Å |
| 270 | I | 55.6 | Low | 60.4 | Low | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -69 | 127.1 | -174.9 | -59.2 | 177.3 | 0 | 0 | 0 | 109.8 | T198 P272 P309 R310 | T198-I270 HydrophobicContact CG2-CD1 4.14Å; T198-I270 HydrophobicContact CG2-CG1 3.94Å; I270-P272 WeakPolarHBondContact O-CD 3.36Å; I270-P309 HydrophobicContact CD1-CB 4.23Å; I270-P309 HydrophobicContact CG2-CB 4.42Å; I270-P309 HydrophobicContact CG2-CG 3.95Å; I270-R310 HydrophobicContact CB-CB 4.27Å; I270-R310 HydrophobicContact CG2-CB 3.77Å; I270-R310 WeakPolarHBondContact O-CD 3.46Å; I270-R310 PolarHBondContact O-NH1 3.26Å |
| 271 | T | 55.3 | Low | 63 | Low | 114 Ų | 114 | 71.5 Ų | 71.5 | 70% | 0.699 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 118.5 | 175.4 | -48.1 | 0 | 0 | 0 | 0 | 109.8 | M269 | M269-T271 PolarHBondContact O-N 3.43Š|
| 272 | P | 67.4 | Low | 65.7 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 133.4 | -179.6 | 29.5 | -34.3 | 0 | 0 | 0 | 110.6 | I270 R310 V312 | I270-P272 WeakPolarHBondContact O-CD 3.36Å; P272-R310 HydrophobicContact CB-CG 4.11Å; P272-V312 HydrophobicContact CB-CG2 3.81Å; P272-V312 HydrophobicContact CG-CG2 4.09Å; P272-V312 WeakPolarHBondContact O-CG2 3.37Å |
| 273 | V | 77 | Confident | 68.4 | Low | 48 Ų | 48 | 67.5 Ų | 67.5 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -90 | 128.7 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | V275 V308 R310 I311 V312 | V273-V275 HydrophobicContact CG1-CG2 4.33Å; V273-V308 HydrophobicContact CB-CB 4.39Å; V273-V308 HydrophobicContact CB-CG1 4.46Å; V273-V308 HydrophobicContact CB-CG2 4.1Å; V273-V308 HydrophobicContact CG1-CG1 4.46Å; V273-V308 HydrophobicContact CG2-CB 4.23Å; V273-V308 HydrophobicContact CG2-CG1 4.25Å; V273-V308 HydrophobicContact CG2-CG2 4.45Å; V273-R310 PolarHBondContact N-O 2.78Å; V273-I311 WeakPolarHBondContact O-CA 3.45Å; V273-V312 PolarHBondContact O-N 3.13Å |
| 274 | E | 82.7 | Confident | 71.2 | Confident | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 126.7 | 168.9 | -160 | -176.2 | -160.6 | 0 | 0 | 109.8 | C277 K278 V312 | E274-C277 HydrophobicContact CG-CB 4.47Å; E274-C277 VanDerWaalsContact CG-SG 3.52Å; E274-C277 PolarHBondContact OE2-SG 3.11Å; E274-K278 WeakPolarHBondContact O-CD 3.27Å; E274-K278 WeakPolarHBondContact O-CE 3.34Å; E274-K278 PolarHBondContact O-NZ 2.98Å; E274-V312 HydrophobicContact CB-CB 4.3Å; E274-V312 HydrophobicContact CB-CG2 4.04Å; E274-V312 HydrophobicContact CG-CB 4.37Å |
| 275 | V | 86.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | trans | -116.7 | -36.3 | -173.1 | -177.1 | 0 | 0 | 0 | 0 | 112 | V273 C277 K278 I279 I305 T306 V308 I311 | V273-V275 HydrophobicContact CG1-CG2 4.33Å; V275-C277 VanDerWaalsContact C-N 3.31Å; V275-C277 PolarHBondContact O-N 3.3Å; V275-K278 PolarHBondContact O-N 3.36Å; V275-I279 PolarHBondContact O-N 2.89Å; V275-I305 HydrophobicContact CG1-CB 4.1Å; V275-I305 HydrophobicContact CG1-CD1 3.81Å; V275-I305 HydrophobicContact CG1-CG1 3.76Å; V275-T306 HydrophobicContact CG1-CG2 3.89Å; V275-V308 HydrophobicContact CG2-CG2 4.24Å; V275-I311 HydrophobicContact CB-CG2 4.45Å; V275-I311 HydrophobicContact CG2-CD1 4.5Å; V275-I311 HydrophobicContact CG2-CG1 4.15Å; V275-I311 HydrophobicContact CG2-CG2 4.02Å | ||
| 276 | L | 84.2 | Confident | 75.6 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -57.3 | -42.6 | -178.4 | -67 | 171.9 | 0 | 0 | 0 | 112.2 | K278 I279 D315 F316 | L276-K278 PolarHBondContact O-N 2.68Å; L276-K278 VanDerWaalsContact O-N 3.11Å; L276-I279 HydrophobicContact CD2-CD1 4.05Å; L276-I279 PolarHBondContact O-N 3.32Å; L276-D315 WeakPolarHBondContact CD1-O 3.27Å; L276-F316 HydrophobicContact CD1-CD2 4.19Å; L276-F316 HydrophobicContact CD1-CE2 3.89Å; L276-F316 HydrophobicContact CD1-CZ 4.07Å; L276-F316 HydrophobicContact CD2-CD1 3.67Å; L276-F316 HydrophobicContact CD2-CD2 4.43Å; L276-F316 HydrophobicContact CD2-CE1 3.6Å; L276-F316 HydrophobicContact CD2-CE2 4.37Å; L276-F316 HydrophobicContact CD2-CG 4.09Å; L276-F316 HydrophobicContact CD2-CZ 3.96Å; L276-F316 HydrophobicContact CG-CD1 4.32Å; L276-F316 HydrophobicContact CG-CD2 4.5Å; L276-F316 HydrophobicContact CG-CE1 3.85Å; L276-F316 HydrophobicContact CG-CE2 4.04Å; L276-F316 HydrophobicContact CG-CZ 3.68Å |
| 277 | C | 84.1 | Confident | 78 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 54% | 0.541 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -68.4 | -3.2 | 176.7 | 65.9 | 0 | 0 | 0 | 0 | 115 | E274 V275 | E274-C277 HydrophobicContact CG-CB 4.47Å; E274-C277 VanDerWaalsContact CG-SG 3.52Å; E274-C277 PolarHBondContact OE2-SG 3.11Å; V275-C277 VanDerWaalsContact C-N 3.31Å; V275-C277 PolarHBondContact O-N 3.3Å |
| 278 | K | 85.8 | Confident | 79.8 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 47% | 0.47 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -115 | -1.4 | -178.6 | -63.3 | 174.5 | -174.1 | 148.4 | 0 | 113.5 | E274 V275 L276 P280 I305 | E274-K278 WeakPolarHBondContact O-CD 3.27Å; E274-K278 WeakPolarHBondContact O-CE 3.34Å; E274-K278 PolarHBondContact O-NZ 2.98Å; V275-K278 PolarHBondContact O-N 3.36Å; L276-K278 PolarHBondContact O-N 2.68Å; L276-K278 VanDerWaalsContact O-N 3.11Å; K278-P280 WeakPolarHBondContact O-CD 3.44Å; K278-I305 HydrophobicContact CB-CD1 4.05Å; K278-I305 HydrophobicContact CB-CG2 4.31Å; K278-I305 WeakPolarHBondContact O-CD1 3.48Å |
| 279 | I | 88.3 | Confident | 81.7 | Confident | 20 Ų | 20 | 66 Ų | 66 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -65.6 | 126.4 | 174.1 | -60.8 | 169.9 | 0 | 0 | 0 | 107.9 | V275 L276 N281 Y283 V302 I305 L319 | V275-I279 PolarHBondContact O-N 2.89Å; L276-I279 HydrophobicContact CD2-CD1 4.05Å; L276-I279 PolarHBondContact O-N 3.32Å; I279-N281 PolarHBondContact O-N 3.47Å; I279-Y283 HydrophobicContact CG2-CD1 4.06Å; I279-Y283 HydrophobicContact CG2-CG 3.92Å; I279-V302 HydrophobicContact CG2-CG2 4.47Å; I279-I305 HydrophobicContact CG1-CD1 3.95Å; I279-L319 HydrophobicContact CD1-CD2 3.95Å |
| 280 | P | 85.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 29% | 0.286 | 39% | 0.39 | S | S | . | . | trans | -59.7 | 137.1 | 178.1 | -25 | 35.1 | 0 | 0 | 0 | 112.3 | K278 D282 Y283 A301 | K278-P280 WeakPolarHBondContact O-CD 3.44Å; P280-D282 WeakPolarHBondContact CB-OD1 3.35Å; P280-D282 PolarHBondContact O-N 2.99Å; P280-D282 VanDerWaalsContact O-N 3.12Å; P280-Y283 WeakPolarHBondContact O-CB 3.28Å; P280-Y283 PolarHBondContact O-N 3.29Å; P280-A301 HydrophobicContact CG-CB 3.95Å | ||
| 281 | N | 85.6 | Confident | 85.2 | Confident | 155 Ų | 155 | 78.6 Ų | 78.6 | 83% | 0.829 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.7 | -177.7 | -67.5 | -16.6 | 0 | 0 | 0 | 113.1 | I279 Y283 | I279-N281 PolarHBondContact O-N 3.47Å; N281-Y283 VanDerWaalsContact C-N 3.33Å |
| 282 | D | 88.6 | Confident | 87 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.4 | 178.2 | 63.9 | -41.6 | 0 | 0 | 0 | 114.1 | P280 W284 Q285 K286 | P280-D282 WeakPolarHBondContact CB-OD1 3.35Å; P280-D282 PolarHBondContact O-N 2.99Å; P280-D282 VanDerWaalsContact O-N 3.12Å; D282-W284 VanDerWaalsContact C-N 3.32Å; D282-W284 PolarHBondContact O-N 3.47Å; D282-Q285 PolarHBondContact O-N 2.99Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.4Å; D282-K286 WeakPolarHBondContact OD2-CD 3.25Å; D282-K286 WeakPolarHBondContact OD2-CE 3.22Å; D282-K286 IonicContact OD2-NZ 2.67Å; D282-K286 PolarHBondContact OD2-NZ 3.41Å |
| 283 | Y | 94.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -52.8 | -48.5 | 175.6 | 170.7 | -96.4 | 0 | 0 | 0 | 111.8 | I279 P280 N281 Q285 K286 I287 A298 V302 L319 S322 | I279-Y283 HydrophobicContact CG2-CD1 4.06Å; I279-Y283 HydrophobicContact CG2-CG 3.92Å; P280-Y283 WeakPolarHBondContact O-CB 3.28Å; P280-Y283 PolarHBondContact O-N 3.29Å; N281-Y283 VanDerWaalsContact C-N 3.33Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 3.14Å; Y283-K286 PolarHBondContact O-N 3Å; Y283-I287 HydrophobicContact CE1-CG2 4.21Å; Y283-I287 HydrophobicContact CE2-CB 4.33Å; Y283-I287 HydrophobicContact CE2-CD1 4.34Å; Y283-I287 HydrophobicContact CE2-CG1 4.34Å; Y283-I287 WeakPolarHBondContact O-CB 3.5Å; Y283-I287 WeakPolarHBondContact O-CG2 3.08Å; Y283-I287 PolarHBondContact O-N 2.91Å; Y283-A298 HydrophobicContact CD2-CB 3.79Å; Y283-A298 HydrophobicContact CE2-CB 4.21Å; Y283-V302 HydrophobicContact CD2-CG2 3.54Å; Y283-V302 HydrophobicContact CE2-CG2 3.59Å; Y283-V302 HydrophobicContact CG-CG2 4.31Å; Y283-L319 HydrophobicContact CE1-CD1 3.81Å; Y283-L319 HydrophobicContact CE2-CD1 4.5Å; Y283-S322 PolarHBondContact OH-OG 2.89Å |
| 284 | W | 92.3 | Very high | 89.1 | Confident | 128 Ų | 128 | 77.4 Ų | 77.4 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.9 | -30.1 | -175.6 | -55.9 | 107.3 | 0 | 0 | 0 | 113.3 | D282 D318 L319 | D282-W284 VanDerWaalsContact C-N 3.32Å; D282-W284 PolarHBondContact O-N 3.47Å; W284-D318 HydrophobicContact CH2-CB 4.19Å; W284-D318 HydrophobicContact CZ3-CB 4.41Å; W284-L319 HydrophobicContact CH2-CB 4.37Å |
| 285 | Q | 89.1 | Confident | 89.7 | Confident | 134 Ų | 134 | 74 Ų | 74 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -73.9 | -57 | 170.9 | -178.3 | -179.2 | -5.3 | 0 | 0 | 110 | D282 Y283 I287 G288 E289 | D282-Q285 PolarHBondContact O-N 2.99Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 3.14Å; Q285-I287 VanDerWaalsContact C-N 3.3Å; Q285-I287 PolarHBondContact O-N 3.42Å; Q285-G288 PolarHBondContact O-N 2.98Å; Q285-E289 PolarHBondContact O-N 3.18Å |
| 286 | K | 92 | Very high | 90.1 | Very high | 66 Ų | 66 | 77.5 Ų | 77.5 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -35.2 | -174.3 | -78.8 | 179.2 | 169.5 | 164.9 | 0 | 113.6 | D282 Y283 G288 E289 D294 R295 A298 | D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.4Å; D282-K286 WeakPolarHBondContact OD2-CD 3.25Å; D282-K286 WeakPolarHBondContact OD2-CE 3.22Å; D282-K286 IonicContact OD2-NZ 2.67Å; D282-K286 PolarHBondContact OD2-NZ 3.41Å; Y283-K286 PolarHBondContact O-N 3Å; K286-G288 PolarHBondContact O-N 2.82Å; K286-E289 WeakPolarHBondContact O-CB 3.5Å; K286-E289 PolarHBondContact O-N 3.41Å; K286-D294 HydrophobicContact CG-CB 4.46Å; K286-R295 WeakPolarHBondContact O-CG 3.36Å; K286-A298 HydrophobicContact CB-CB 3.74Å; K286-A298 HydrophobicContact CD-CB 4.5Å |
| 287 | I | 94.4 | Very high | 90.5 | Very high | 23 Ų | 23 | 77.9 Ų | 77.9 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.8 | 178.8 | -156.6 | 62.7 | 0 | 0 | 0 | 112.8 | Y283 Q285 R295 A298 L299 V326 | Y283-I287 HydrophobicContact CE1-CG2 4.21Å; Y283-I287 HydrophobicContact CE2-CB 4.33Å; Y283-I287 HydrophobicContact CE2-CD1 4.34Å; Y283-I287 HydrophobicContact CE2-CG1 4.34Å; Y283-I287 WeakPolarHBondContact O-CB 3.5Å; Y283-I287 WeakPolarHBondContact O-CG2 3.08Å; Y283-I287 PolarHBondContact O-N 2.91Å; Q285-I287 VanDerWaalsContact C-N 3.3Å; Q285-I287 PolarHBondContact O-N 3.42Å; I287-R295 HydrophobicContact CD1-CB 4.3Å; I287-R295 WeakPolarHBondContact O-CD 3.43Å; I287-A298 HydrophobicContact CD1-CB 4.48Å; I287-L299 HydrophobicContact CD1-CD1 4.4Å; I287-L299 HydrophobicContact CD1-CD2 3.85Å; I287-L299 HydrophobicContact CD1-CG 3.84Å; I287-V326 HydrophobicContact CD1-CG2 4.04Å; I287-V326 HydrophobicContact CG1-CG2 4.29Å |
| 288 | G | 87.9 | Confident | 91 | Very high | 65 Ų | 65 | 74.2 Ų | 74.2 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q285 K286 | Q285-G288 PolarHBondContact O-N 2.98Å; K286-G288 PolarHBondContact O-N 2.82Å |
| 289 | E | 91.2 | Very high | 91.5 | Very high | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | trans | -68.6 | 145 | -174.9 | -79.2 | -63.7 | 170.7 | 0 | 0 | 113.3 | Q285 K286 K291 D294 R295 | Q285-E289 PolarHBondContact O-N 3.18Å; K286-E289 WeakPolarHBondContact O-CB 3.5Å; K286-E289 PolarHBondContact O-N 3.41Å; E289-K291 VanDerWaalsContact C-N 3.32Å; E289-K291 PolarHBondContact O-N 3.49Å; E289-D294 HydrophobicContact CB-CB 4.27Å; E289-R295 WeakPolarHBondContact O-CD 3.46Å; E289-R295 WeakPolarHBondContact O-CG 3.36Å; E289-R295 PolarHBondContact O-NH1 2.94Å | ||
| 290 | K | 85.7 | Confident | 91.9 | Very high | 197 Ų | 197 | 71.2 Ų | 71.2 | 86% | 0.857 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -66.6 | -35.2 | 178.8 | -68.8 | -175.4 | 179.3 | 179.8 | 0 | 112.1 | W292 R295 | K290-W292 PolarHBondContact O-N 2.94Å; K290-R295 PolarHBondContact O-NH1 3.47Å |
| 291 | K | 90.8 | Very high | 92.1 | Very high | 111 Ų | 111 | 70.6 Ų | 70.6 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -71.8 | 112.6 | -179.3 | 176 | 163.7 | 154.8 | -95.4 | 0 | 110.4 | E289 Q293 D294 R295 | E289-K291 VanDerWaalsContact C-N 3.32Å; E289-K291 PolarHBondContact O-N 3.49Å; K291-Q293 VanDerWaalsContact C-N 3.25Å; K291-Q293 VanDerWaalsContact CG-OE1 3.29Å; K291-Q293 PolarHBondContact O-N 2.95Å; K291-D294 VanDerWaalsContact CB-OD2 3.3Å; K291-D294 WeakPolarHBondContact CB-OD2 3.2Å; K291-D294 WeakPolarHBondContact CD-OD2 3.3Å; K291-D294 WeakPolarHBondContact CE-OD2 3.46Å; K291-D294 WeakPolarHBondContact CG-OD2 3.3Å; K291-D294 IonicContact NZ-OD1 2.72Å; K291-D294 PolarHBondContact NZ-OD1 3.49Å; K291-D294 IonicContact NZ-OD2 3.19Å; K291-D294 PolarHBondContact NZ-OD2 3.21Å; K291-D294 PolarHBondContact O-N 3.21Å; K291-R295 PolarHBondContact O-N 3.42Å |
| 292 | W | 93.2 | Very high | 92.5 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 34% | 0.341 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -27 | -170 | 72.6 | -100.2 | 0 | 0 | 0 | 113.5 | K290 D294 R295 R296 L335 | K290-W292 PolarHBondContact O-N 2.94Å; W292-D294 VanDerWaalsContact C-N 3.28Å; W292-D294 PolarHBondContact O-N 3.21Å; W292-R295 PolarHBondContact O-N 2.98Å; W292-R296 HydrophobicContact CE3-CB 4.4Å; W292-R296 HydrophobicContact CZ3-CB 4.44Å; W292-R296 PolarHBondContact O-N 3.34Å; W292-L335 HydrophobicContact CB-CD1 4.07Å |
| 293 | Q | 94.4 | Very high | 92.7 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 175 | -62.6 | 88.3 | -18.6 | 0 | 0 | 111.6 | K291 R296 D297 | K291-Q293 VanDerWaalsContact C-N 3.25Å; K291-Q293 VanDerWaalsContact CG-OE1 3.29Å; K291-Q293 PolarHBondContact O-N 2.95Å; Q293-R296 WeakPolarHBondContact O-CB 3.04Å; Q293-R296 PolarHBondContact O-N 2.92Å; Q293-D297 PolarHBondContact O-N 2.86Å |
| 294 | D | 93.7 | Very high | 92.4 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.9 | -36.5 | 179.9 | -56.7 | -37.6 | 0 | 0 | 0 | 110.5 | K286 E289 K291 W292 D297 A298 | K286-D294 HydrophobicContact CG-CB 4.46Å; E289-D294 HydrophobicContact CB-CB 4.27Å; K291-D294 VanDerWaalsContact CB-OD2 3.3Å; K291-D294 WeakPolarHBondContact CB-OD2 3.2Å; K291-D294 WeakPolarHBondContact CD-OD2 3.3Å; K291-D294 WeakPolarHBondContact CE-OD2 3.46Å; K291-D294 WeakPolarHBondContact CG-OD2 3.3Å; K291-D294 IonicContact NZ-OD1 2.72Å; K291-D294 PolarHBondContact NZ-OD1 3.49Å; K291-D294 IonicContact NZ-OD2 3.19Å; K291-D294 PolarHBondContact NZ-OD2 3.21Å; K291-D294 PolarHBondContact O-N 3.21Å; W292-D294 VanDerWaalsContact C-N 3.28Å; W292-D294 PolarHBondContact O-N 3.21Å; D294-D297 PolarHBondContact O-N 2.63Å; D294-A298 WeakPolarHBondContact O-CB 3.27Å; D294-A298 PolarHBondContact O-N 3.3Å |
| 295 | R | 95.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 64 Ų | 64 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 167.3 | -60.6 | -156.9 | -58.9 | -75.9 | 4.9 | 112.3 | K286 I287 E289 K290 K291 W292 L299 D330 L335 | K286-R295 WeakPolarHBondContact O-CG 3.36Å; I287-R295 HydrophobicContact CD1-CB 4.3Å; I287-R295 WeakPolarHBondContact O-CD 3.43Å; E289-R295 WeakPolarHBondContact O-CD 3.46Å; E289-R295 WeakPolarHBondContact O-CG 3.36Å; E289-R295 PolarHBondContact O-NH1 2.94Å; K290-R295 PolarHBondContact O-NH1 3.47Å; K291-R295 PolarHBondContact O-N 3.42Å; W292-R295 PolarHBondContact O-N 2.98Å; R295-L299 WeakPolarHBondContact O-CG 3.13Å; R295-L299 PolarHBondContact O-N 3.41Å; R295-D330 IonicContact CZ-OD2 3.32Å; R295-D330 VanDerWaalsContact CZ-OD2 3.24Å; R295-D330 IonicContact NE-OD2 2.65Å; R295-D330 PolarHBondContact NE-OD2 2.64Å; R295-D330 VanDerWaalsContact NH2-CG 3.31Å; R295-D330 IonicContact NH2-OD1 3.08Å; R295-D330 PolarHBondContact NH2-OD1 2.73Å; R295-D330 IonicContact NH2-OD2 3.72Å; R295-D330 PolarHBondContact NH2-OD2 3.38Å; R295-L335 HydrophobicContact CB-CD1 3.7Å; R295-L335 HydrophobicContact CB-CD2 4.24Å |
| 296 | R | 95.5 | Very high | 92.3 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 174.5 | 178.8 | -158.9 | 61.4 | -168.5 | -3.3 | 110.1 | W292 Q293 A298 L299 E300 L335 L338 | W292-R296 HydrophobicContact CE3-CB 4.4Å; W292-R296 HydrophobicContact CZ3-CB 4.44Å; W292-R296 PolarHBondContact O-N 3.34Å; Q293-R296 WeakPolarHBondContact O-CB 3.04Å; Q293-R296 PolarHBondContact O-N 2.92Å; R296-A298 VanDerWaalsContact C-N 3.25Å; R296-A298 PolarHBondContact O-N 3.41Å; R296-L299 PolarHBondContact O-N 3.28Å; R296-L299 VanDerWaalsContact O-N 3.07Å; R296-E300 WeakPolarHBondContact CD-OE1 3.33Å; R296-E300 HydrophobicContact CG-CG 4.27Å; R296-E300 IonicContact NE-OE1 2.78Å; R296-E300 PolarHBondContact O-N 2.97Å; R296-L335 HydrophobicContact CB-CD2 3.63Å; R296-L335 HydrophobicContact CG-CD2 4.48Å; R296-L335 VanDerWaalsContact N-CD2 3.33Å; R296-L338 HydrophobicContact CG-CD1 3.9Å |
| 297 | D | 93.4 | Very high | 92 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -33.3 | -174.6 | -65.5 | -1.3 | 0 | 0 | 0 | 111.3 | Q293 D294 A301 | Q293-D297 PolarHBondContact O-N 2.86Å; D294-D297 PolarHBondContact O-N 2.63Å; D297-A301 WeakPolarHBondContact O-CB 3.27Å; D297-A301 PolarHBondContact O-N 3.34Å; D297-A301 VanDerWaalsContact O-N 3.12Å |
| 298 | A | 94.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y283 K286 I287 D294 R296 A301 V302 | Y283-A298 HydrophobicContact CD2-CB 3.79Å; Y283-A298 HydrophobicContact CE2-CB 4.21Å; K286-A298 HydrophobicContact CB-CB 3.74Å; K286-A298 HydrophobicContact CD-CB 4.5Å; I287-A298 HydrophobicContact CD1-CB 4.48Å; D294-A298 WeakPolarHBondContact O-CB 3.27Å; D294-A298 PolarHBondContact O-N 3.3Å; R296-A298 VanDerWaalsContact C-N 3.25Å; R296-A298 PolarHBondContact O-N 3.41Å; A298-A301 PolarHBondContact O-N 3.35Å; A298-V302 PolarHBondContact O-N 2.9Å |
| 299 | L | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 177.7 | -68.6 | 173.1 | 0 | 0 | 0 | 112 | I287 R295 R296 A301 V302 E303 L323 V326 L335 L338 A339 I342 | I287-L299 HydrophobicContact CD1-CD1 4.4Å; I287-L299 HydrophobicContact CD1-CD2 3.85Å; I287-L299 HydrophobicContact CD1-CG 3.84Å; R295-L299 WeakPolarHBondContact O-CG 3.13Å; R295-L299 PolarHBondContact O-N 3.41Å; R296-L299 PolarHBondContact O-N 3.28Å; R296-L299 VanDerWaalsContact O-N 3.07Å; L299-A301 VanDerWaalsContact C-N 3.26Å; L299-A301 PolarHBondContact O-N 3.42Å; L299-V302 PolarHBondContact O-N 2.71Å; L299-V302 VanDerWaalsContact O-N 3.12Å; L299-E303 PolarHBondContact O-N 2.98Å; L299-L323 HydrophobicContact CD2-CD2 3.56Å; L299-V326 HydrophobicContact CD1-CG1 4.21Å; L299-L335 HydrophobicContact CD1-CB 4.04Å; L299-L335 HydrophobicContact CD1-CD2 4.01Å; L299-L338 HydrophobicContact CB-CB 4.04Å; L299-L338 HydrophobicContact CB-CD1 4.24Å; L299-L338 HydrophobicContact CD1-CB 4.01Å; L299-A339 HydrophobicContact CD1-CB 4.32Å; L299-A339 HydrophobicContact CD2-CB 4.26Å; L299-I342 HydrophobicContact CB-CD1 3.96Å; L299-I342 HydrophobicContact CD2-CD1 3.89Å; L299-I342 VanDerWaalsContact O-CD1 3.28Å; L299-I342 WeakPolarHBondContact O-CD1 3.43Å |
| 300 | E | 95.2 | Very high | 90.1 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -34.5 | 176.4 | -82.6 | -166.5 | -146.8 | 0 | 0 | 112.9 | R296 K304 L338 | R296-E300 WeakPolarHBondContact CD-OE1 3.33Å; R296-E300 HydrophobicContact CG-CG 4.27Å; R296-E300 IonicContact NE-OE1 2.78Å; R296-E300 PolarHBondContact O-N 2.97Å; E300-K304 WeakPolarHBondContact O-CD 3.14Å; E300-K304 WeakPolarHBondContact O-CE 3.5Å; E300-K304 VanDerWaalsContact O-CG 3.22Å; E300-K304 WeakPolarHBondContact O-CG 3.38Å; E300-K304 PolarHBondContact O-N 2.96Å; E300-K304 IonicContact OE2-NZ 2.72Å; E300-K304 PolarHBondContact OE2-NZ 3.21Å; E300-L338 HydrophobicContact CG-CD1 4.26Å; E300-L338 HydrophobicContact CG-CD2 4.45Å |
| 301 | A | 90.7 | Very high | 90.2 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P280 D297 A298 L299 | P280-A301 HydrophobicContact CG-CB 3.95Å; D297-A301 WeakPolarHBondContact O-CB 3.27Å; D297-A301 PolarHBondContact O-N 3.34Å; D297-A301 VanDerWaalsContact O-N 3.12Å; A298-A301 PolarHBondContact O-N 3.35Å; L299-A301 VanDerWaalsContact C-N 3.26Å; L299-A301 PolarHBondContact O-N 3.42Å |
| 302 | V | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -43.2 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | I279 Y283 A298 L299 K304 I305 T306 L319 I342 | I279-V302 HydrophobicContact CG2-CG2 4.47Å; Y283-V302 HydrophobicContact CD2-CG2 3.54Å; Y283-V302 HydrophobicContact CE2-CG2 3.59Å; Y283-V302 HydrophobicContact CG-CG2 4.31Å; A298-V302 PolarHBondContact O-N 2.9Å; L299-V302 PolarHBondContact O-N 2.71Å; L299-V302 VanDerWaalsContact O-N 3.12Å; V302-K304 PolarHBondContact O-N 2.9Å; V302-I305 WeakPolarHBondContact O-CG1 3.33Å; V302-I305 PolarHBondContact O-N 3.22Å; V302-T306 HydrophobicContact CG1-CG2 3.81Å; V302-T306 PolarHBondContact O-N 2.79Å; V302-T306 PolarHBondContact O-OG1 3.35Å; V302-L319 HydrophobicContact CG1-CD1 4.42Å; V302-L319 HydrophobicContact CG1-CD2 4.35Å; V302-I342 HydrophobicContact CB-CD1 4.35Å; V302-I342 HydrophobicContact CG1-CD1 4.45Å; V302-I342 HydrophobicContact CG1-CG2 3.68Å |
| 303 | E | 92.9 | Very high | 89.3 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.1 | -39.8 | 179.5 | -160.3 | -153 | 137.7 | 0 | 0 | 112.3 | L299 I305 T306 N307 L338 K341 I342 Q345 | L299-E303 PolarHBondContact O-N 2.98Å; E303-I305 PolarHBondContact O-N 2.9Å; E303-T306 WeakPolarHBondContact CA-OG1 3.34Å; E303-T306 PolarHBondContact O-N 2.91Å; E303-N307 WeakPolarHBondContact O-CB 3.45Å; E303-N307 PolarHBondContact O-N 2.76Å; E303-L338 VanDerWaalsContact OE2-CD2 3.28Å; E303-L338 WeakPolarHBondContact OE2-CD2 3.29Å; E303-K341 HydrophobicContact CG-CD 4.41Å; E303-K341 WeakPolarHBondContact OE1-CE 3.46Å; E303-K341 IonicContact OE1-NZ 2.66Å; E303-K341 PolarHBondContact OE1-NZ 3.5Å; E303-K341 IonicContact OE2-NZ 3.09Å; E303-I342 HydrophobicContact CB-CD1 4.22Å; E303-I342 HydrophobicContact CB-CG1 3.88Å; E303-I342 HydrophobicContact CG-CG1 4.07Å; E303-Q345 PolarHBondContact O-OE1 2.93Å |
| 304 | K | 88.6 | Confident | 88.9 | Confident | 145 Ų | 145 | 45.5 Ų | 45.5 | 63% | 0.63 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.4 | -23.5 | 179.3 | -70.8 | 159.4 | -164.7 | 159.7 | 0 | 113 | E300 V302 | E300-K304 WeakPolarHBondContact O-CD 3.14Å; E300-K304 WeakPolarHBondContact O-CE 3.5Å; E300-K304 VanDerWaalsContact O-CG 3.22Å; E300-K304 WeakPolarHBondContact O-CG 3.38Å; E300-K304 PolarHBondContact O-N 2.96Å; E300-K304 IonicContact OE2-NZ 2.72Å; E300-K304 PolarHBondContact OE2-NZ 3.21Å; V302-K304 PolarHBondContact O-N 2.9Å |
| 305 | I | 88.4 | Confident | 88.6 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -102.4 | -24.2 | 177.6 | 61.5 | 172.5 | 0 | 0 | 0 | 113.8 | V275 K278 I279 V302 E303 | V275-I305 HydrophobicContact CG1-CB 4.1Å; V275-I305 HydrophobicContact CG1-CD1 3.81Å; V275-I305 HydrophobicContact CG1-CG1 3.76Å; K278-I305 HydrophobicContact CB-CD1 4.05Å; K278-I305 HydrophobicContact CB-CG2 4.31Å; K278-I305 WeakPolarHBondContact O-CD1 3.48Å; I279-I305 HydrophobicContact CG1-CD1 3.95Å; V302-I305 WeakPolarHBondContact O-CG1 3.33Å; V302-I305 PolarHBondContact O-N 3.22Å; E303-I305 PolarHBondContact O-N 2.9Å |
| 306 | T | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -83.6 | -17.3 | 176.7 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | V275 V302 E303 V308 I342 Q345 I346 | V275-T306 HydrophobicContact CG1-CG2 3.89Å; V302-T306 HydrophobicContact CG1-CG2 3.81Å; V302-T306 PolarHBondContact O-N 2.79Å; V302-T306 PolarHBondContact O-OG1 3.35Å; E303-T306 WeakPolarHBondContact CA-OG1 3.34Å; E303-T306 PolarHBondContact O-N 2.91Å; T306-V308 PolarHBondContact O-N 3.43Å; T306-I342 HydrophobicContact CG2-CG2 4.14Å; T306-Q345 PolarHBondContact OG1-OE1 3.22Å; T306-I346 HydrophobicContact CG2-CD1 4.05Å; T306-I346 HydrophobicContact CG2-CG1 3.68Å |
| 307 | N | 87.2 | Confident | 88.2 | Confident | 110 Ų | 110 | 46 Ų | 46 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | trans | -74.8 | 59.9 | -179 | -164.5 | 36.8 | 0 | 0 | 0 | 113.7 | E303 Q345 | E303-N307 WeakPolarHBondContact O-CB 3.45Å; E303-N307 PolarHBondContact O-N 2.76Å; N307-Q345 PolarHBondContact OD1-NE2 2.97Å | ||
| 308 | V | 80.7 | Confident | 88.1 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -132.5 | 146.9 | -175.7 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | V273 V275 T306 R310 I311 | V273-V308 HydrophobicContact CB-CB 4.39Å; V273-V308 HydrophobicContact CB-CG1 4.46Å; V273-V308 HydrophobicContact CB-CG2 4.1Å; V273-V308 HydrophobicContact CG1-CG1 4.46Å; V273-V308 HydrophobicContact CG2-CB 4.23Å; V273-V308 HydrophobicContact CG2-CG1 4.25Å; V273-V308 HydrophobicContact CG2-CG2 4.45Å; V275-V308 HydrophobicContact CG2-CG2 4.24Å; T306-V308 PolarHBondContact O-N 3.43Å; V308-R310 VanDerWaalsContact C-N 3.33Å; V308-R310 PolarHBondContact O-N 3.09Å; V308-I311 HydrophobicContact CG2-CD1 4.24Å; V308-I311 HydrophobicContact CG2-CG1 3.58Å |
| 309 | P | 74.2 | Confident | 88 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -72.7 | -18.8 | -170.1 | 26.8 | -35.2 | 0 | 0 | 0 | 115.2 | I270 | I270-P309 HydrophobicContact CD1-CB 4.23Å; I270-P309 HydrophobicContact CG2-CB 4.42Å; I270-P309 HydrophobicContact CG2-CG 3.95Å |
| 310 | R | 78.9 | Confident | 88 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -149.7 | 133.6 | 175.8 | -159.9 | -175.3 | -167.2 | -176.2 | 7.2 | 109.7 | D267 D268 I270 P272 V273 V308 G349 | D267-R310 WeakPolarHBondContact O-CD 3.49Å; D267-R310 PolarHBondContact O-NE 3.45Å; D267-R310 PolarHBondContact O-NH1 3.4Å; D268-R310 PolarHBondContact O-NH1 3.28Å; D268-R310 IonicContact OD1-CZ 3.87Å; D268-R310 IonicContact OD1-NH1 2.68Å; D268-R310 PolarHBondContact OD1-NH1 2.73Å; D268-R310 IonicContact OD1-NH2 2.77Å; D268-R310 PolarHBondContact OD1-NH2 2.67Å; I270-R310 HydrophobicContact CB-CB 4.27Å; I270-R310 HydrophobicContact CG2-CB 3.77Å; I270-R310 WeakPolarHBondContact O-CD 3.46Å; I270-R310 PolarHBondContact O-NH1 3.26Å; P272-R310 HydrophobicContact CB-CG 4.11Å; V273-R310 PolarHBondContact N-O 2.78Å; V308-R310 VanDerWaalsContact C-N 3.33Å; V308-R310 PolarHBondContact O-N 3.09Å; R310-G349 WeakPolarHBondContact CA-O 3.37Å |
| 311 | I | 87.2 | Confident | 88 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -114.3 | 142.6 | -176.1 | -65 | 173.7 | 0 | 0 | 0 | 109.1 | V273 V275 V308 P313 F316 G349 L350 | V273-I311 WeakPolarHBondContact O-CA 3.45Å; V275-I311 HydrophobicContact CB-CG2 4.45Å; V275-I311 HydrophobicContact CG2-CD1 4.5Å; V275-I311 HydrophobicContact CG2-CG1 4.15Å; V275-I311 HydrophobicContact CG2-CG2 4.02Å; V308-I311 HydrophobicContact CG2-CD1 4.24Å; V308-I311 HydrophobicContact CG2-CG1 3.58Å; I311-P313 WeakPolarHBondContact O-CD 3.45Å; I311-F316 HydrophobicContact CG2-CE1 4.23Å; I311-F316 HydrophobicContact CG2-CE2 4.11Å; I311-F316 HydrophobicContact CG2-CZ 3.45Å; I311-F316 VanDerWaalsContact CG2-CZ 3.45Å; I311-G349 PolarHBondContact N-O 2.68Å; I311-L350 HydrophobicContact CB-CD2 3.92Å; I311-L350 HydrophobicContact CB-CG 4.18Å; I311-L350 HydrophobicContact CG2-CD2 3.76Å; I311-L350 HydrophobicContact CG2-CG 4.17Å |
| 312 | V | 83 | Confident | 88.1 | Confident | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | trans | -65.5 | 125.2 | 172.1 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | P272 V273 E274 G314 | P272-V312 HydrophobicContact CB-CG2 3.81Å; P272-V312 HydrophobicContact CG-CG2 4.09Å; P272-V312 WeakPolarHBondContact O-CG2 3.37Å; V273-V312 PolarHBondContact O-N 3.13Å; E274-V312 HydrophobicContact CB-CB 4.3Å; E274-V312 HydrophobicContact CB-CG2 4.04Å; E274-V312 HydrophobicContact CG-CB 4.37Å; V312-G314 PolarHBondContact O-N 3.13Å | ||
| 313 | P | 81.5 | Confident | 88.3 | Confident | 77 Ų | 77 | 49 Ų | 49 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | trans | -62.3 | 132.9 | 174.4 | -21.7 | 34.2 | 0 | 0 | 0 | 111.4 | I311 K353 | I311-P313 WeakPolarHBondContact O-CD 3.45Å; P313-K353 HydrophobicContact CB-CB 4.33Å; P313-K353 HydrophobicContact CB-CG 4.18Å; P313-K353 HydrophobicContact CG-CB 4.36Å; P313-K353 HydrophobicContact CG-CG 3.9Å | ||
| 314 | G | 86.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | trans | -162.5 | -169 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V312 F316 | V312-G314 PolarHBondContact O-N 3.13Å; G314-F316 WeakPolarHBondContact O-CD2 3.48Å; G314-F316 PolarHBondContact O-N 3.42Å | ||
| 315 | D | 86.9 | Confident | 88.7 | Confident | 111 Ų | 111 | 46.9 Ų | 46.9 | 59% | 0.594 | 26% | 0.26 | S | S | * | . | trans | -82.5 | 99.9 | 176.5 | -165.2 | -5.2 | 0 | 0 | 0 | 111.3 | L276 T317 | L276-D315 WeakPolarHBondContact CD1-O 3.27Å; D315-T317 WeakPolarHBondContact OD1-CB 3.3Å; D315-T317 PolarHBondContact OD1-N 3.45Å; D315-T317 PolarHBondContact OD1-OG1 3.43Å | ||
| 316 | F | 92.8 | Very high | 89 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | trans | -93.3 | 5.4 | 175 | -74.2 | -93.5 | 0 | 0 | 0 | 112.5 | L276 I311 G314 D318 L319 V320 I346 L350 Y357 | L276-F316 HydrophobicContact CD1-CD2 4.19Å; L276-F316 HydrophobicContact CD1-CE2 3.89Å; L276-F316 HydrophobicContact CD1-CZ 4.07Å; L276-F316 HydrophobicContact CD2-CD1 3.67Å; L276-F316 HydrophobicContact CD2-CD2 4.43Å; L276-F316 HydrophobicContact CD2-CE1 3.6Å; L276-F316 HydrophobicContact CD2-CE2 4.37Å; L276-F316 HydrophobicContact CD2-CG 4.09Å; L276-F316 HydrophobicContact CD2-CZ 3.96Å; L276-F316 HydrophobicContact CG-CD1 4.32Å; L276-F316 HydrophobicContact CG-CD2 4.5Å; L276-F316 HydrophobicContact CG-CE1 3.85Å; L276-F316 HydrophobicContact CG-CE2 4.04Å; L276-F316 HydrophobicContact CG-CZ 3.68Å; I311-F316 HydrophobicContact CG2-CE1 4.23Å; I311-F316 HydrophobicContact CG2-CE2 4.11Å; I311-F316 HydrophobicContact CG2-CZ 3.45Å; I311-F316 VanDerWaalsContact CG2-CZ 3.45Å; G314-F316 WeakPolarHBondContact O-CD2 3.48Å; G314-F316 PolarHBondContact O-N 3.42Å; F316-D318 PolarHBondContact O-N 3.33Å; F316-L319 HydrophobicContact CD1-CD2 4.25Å; F316-L319 PolarHBondContact O-N 3.43Å; F316-V320 HydrophobicContact CB-CG2 4.09Å; F316-V320 WeakPolarHBondContact O-CB 3.32Å; F316-V320 WeakPolarHBondContact O-CG2 3.49Å; F316-V320 PolarHBondContact O-N 3.01Å; F316-I346 HydrophobicContact CD1-CG2 4.18Å; F316-L350 HydrophobicContact CD2-CD1 3.66Å; F316-L350 HydrophobicContact CD2-CD2 4.5Å; F316-L350 HydrophobicContact CE2-CD1 3.88Å; F316-L350 HydrophobicContact CE2-CD2 3.99Å; F316-L350 HydrophobicContact CE2-CG 4.45Å; F316-L350 HydrophobicContact CG-CD1 4.05Å; F316-L350 HydrophobicContact CZ-CD1 4.43Å; F316-Y357 HydrophobicContact CB-CE2 3.91Å; F316-Y357 PolarHBondContact N-OH 3.37Å | ||
| 317 | T | 91.1 | Very high | 89.3 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | -164.9 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | D315 V320 K321 Y357 | D315-T317 WeakPolarHBondContact OD1-CB 3.3Å; D315-T317 PolarHBondContact OD1-N 3.45Å; D315-T317 PolarHBondContact OD1-OG1 3.43Å; T317-V320 PolarHBondContact O-N 2.8Å; T317-K321 HydrophobicContact CG2-CD 4.32Å; T317-K321 VanDerWaalsContact CG2-CE 3.48Å; T317-K321 WeakPolarHBondContact O-CB 3.38Å; T317-K321 VanDerWaalsContact O-CG 3.26Å; T317-K321 WeakPolarHBondContact O-CG 3.34Å; T317-K321 PolarHBondContact O-N 3.09Å; T317-Y357 HydrophobicContact CG2-CE1 4.34Å; T317-Y357 PolarHBondContact N-OH 3.44Å; T317-Y357 WeakPolarHBondContact OG1-CE1 3.32Å; T317-Y357 PolarHBondContact OG1-OH 2.88Å |
| 318 | D | 90.8 | Very high | 89.6 | Confident | 89 Ų | 89 | 43.8 Ų | 43.8 | 48% | 0.476 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -78.7 | -29.1 | -176.6 | -64.5 | -29.4 | 0 | 0 | 0 | 113.2 | W284 F316 K321 S322 | W284-D318 HydrophobicContact CH2-CB 4.19Å; W284-D318 HydrophobicContact CZ3-CB 4.41Å; F316-D318 PolarHBondContact O-N 3.33Å; D318-K321 WeakPolarHBondContact OD1-CD 3.2Å; D318-K321 IonicContact OD1-NZ 2.68Å; D318-K321 PolarHBondContact OD1-NZ 3Å; D318-S322 VanDerWaalsContact O-CB 3.31Å; D318-S322 WeakPolarHBondContact O-CB 3.47Å; D318-S322 PolarHBondContact O-N 3.1Å |
| 319 | L | 93.5 | Very high | 90 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 170.1 | -179.3 | 64 | 0 | 0 | 0 | 110.7 | I279 Y283 W284 V302 F316 S322 L323 I346 | I279-L319 HydrophobicContact CD1-CD2 3.95Å; Y283-L319 HydrophobicContact CE1-CD1 3.81Å; Y283-L319 HydrophobicContact CE2-CD1 4.5Å; W284-L319 HydrophobicContact CH2-CB 4.37Å; V302-L319 HydrophobicContact CG1-CD1 4.42Å; V302-L319 HydrophobicContact CG1-CD2 4.35Å; F316-L319 HydrophobicContact CD1-CD2 4.25Å; F316-L319 PolarHBondContact O-N 3.43Å; L319-S322 WeakPolarHBondContact O-CB 3.33Å; L319-S322 PolarHBondContact O-N 3.04Å; L319-L323 HydrophobicContact CD1-CD1 4.23Å; L319-L323 HydrophobicContact CD1-CG 4.39Å; L319-L323 HydrophobicContact CG-CD1 3.93Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.34Å; L319-L323 PolarHBondContact O-N 2.87Å; L319-I346 HydrophobicContact CD2-CD1 3.85Å; L319-I346 HydrophobicContact CG-CD1 4.45Å |
| 320 | V | 95.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 179.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | F316 T317 S322 L323 I324 L343 F354 Y357 | F316-V320 HydrophobicContact CB-CG2 4.09Å; F316-V320 WeakPolarHBondContact O-CB 3.32Å; F316-V320 WeakPolarHBondContact O-CG2 3.49Å; F316-V320 PolarHBondContact O-N 3.01Å; T317-V320 PolarHBondContact O-N 2.8Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 3.14Å; V320-L323 PolarHBondContact O-N 2.8Å; V320-I324 HydrophobicContact CG1-CD1 3.58Å; V320-I324 HydrophobicContact CG1-CG1 4.17Å; V320-I324 VanDerWaalsContact O-CB 3.29Å; V320-I324 WeakPolarHBondContact O-CB 3.44Å; V320-I324 VanDerWaalsContact O-CG1 3.25Å; V320-I324 WeakPolarHBondContact O-CG1 3.4Å; V320-I324 PolarHBondContact O-N 3.43Å; V320-L343 HydrophobicContact CB-CD2 4.36Å; V320-L343 HydrophobicContact CG1-CD2 3.78Å; V320-L343 HydrophobicContact CG2-CD2 4.24Å; V320-F354 HydrophobicContact CG2-CE2 4.16Å; V320-Y357 HydrophobicContact CB-CD1 4.41Å; V320-Y357 HydrophobicContact CB-CG 4.41Å; V320-Y357 HydrophobicContact CG1-CD1 4.31Å; V320-Y357 HydrophobicContact CG1-CG 4.13Å; V320-Y357 HydrophobicContact CG2-CD2 4.42Å; V320-Y357 HydrophobicContact CG2-CG 4.38Å |
| 321 | K | 94.9 | Very high | 91.3 | Very high | 108 Ų | 108 | 51.3 Ų | 51.3 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.9 | -47.4 | 168.3 | -75.2 | 170.7 | -168.7 | 156.1 | 0 | 111.7 | T317 D318 I324 Q325 | T317-K321 HydrophobicContact CG2-CD 4.32Å; T317-K321 VanDerWaalsContact CG2-CE 3.48Å; T317-K321 WeakPolarHBondContact O-CB 3.38Å; T317-K321 VanDerWaalsContact O-CG 3.26Å; T317-K321 WeakPolarHBondContact O-CG 3.34Å; T317-K321 PolarHBondContact O-N 3.09Å; D318-K321 WeakPolarHBondContact OD1-CD 3.2Å; D318-K321 IonicContact OD1-NZ 2.68Å; D318-K321 PolarHBondContact OD1-NZ 3Å; K321-I324 PolarHBondContact O-N 2.96Å; K321-Q325 VanDerWaalsContact O-CB 3.3Å; K321-Q325 WeakPolarHBondContact O-CB 3.35Å; K321-Q325 PolarHBondContact O-N 3.39Å |
| 322 | S | 94 | Very high | 91.5 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | Y283 D318 L319 V320 Q325 V326 | Y283-S322 PolarHBondContact OH-OG 2.89Å; D318-S322 VanDerWaalsContact O-CB 3.31Å; D318-S322 WeakPolarHBondContact O-CB 3.47Å; D318-S322 PolarHBondContact O-N 3.1Å; L319-S322 WeakPolarHBondContact O-CB 3.33Å; L319-S322 PolarHBondContact O-N 3.04Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 3.14Å; S322-Q325 WeakPolarHBondContact O-CB 3.44Å; S322-Q325 PolarHBondContact O-N 3.29Å; S322-V326 PolarHBondContact O-N 3.38Å |
| 323 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 179.4 | -65.5 | 164.9 | 0 | 0 | 0 | 112.4 | L299 L319 V320 Q325 V326 V327 A339 I342 L343 I346 | L299-L323 HydrophobicContact CD2-CD2 3.56Å; L319-L323 HydrophobicContact CD1-CD1 4.23Å; L319-L323 HydrophobicContact CD1-CG 4.39Å; L319-L323 HydrophobicContact CG-CD1 3.93Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.34Å; L319-L323 PolarHBondContact O-N 2.87Å; V320-L323 PolarHBondContact O-N 2.8Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 3.41Å; L323-V326 PolarHBondContact O-N 2.89Å; L323-V327 WeakPolarHBondContact O-CG2 3.2Å; L323-V327 PolarHBondContact O-N 2.69Å; L323-A339 HydrophobicContact CD2-CB 3.96Å; L323-I342 HydrophobicContact CD1-CB 4.26Å; L323-I342 HydrophobicContact CD1-CG2 3.52Å; L323-I342 HydrophobicContact CD2-CB 4.06Å; L323-I342 HydrophobicContact CD2-CD1 4.04Å; L323-I342 HydrophobicContact CD2-CG2 3.94Å; L323-I342 HydrophobicContact CG-CG2 4.41Å; L323-L343 HydrophobicContact CB-CD1 3.95Å; L323-L343 HydrophobicContact CB-CD2 3.82Å; L323-L343 HydrophobicContact CB-CG 3.73Å; L323-L343 HydrophobicContact CD1-CD2 4Å; L323-L343 HydrophobicContact CD1-CG 4.13Å; L323-I346 HydrophobicContact CD1-CD1 3.8Å |
| 324 | I | 96.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 174.3 | -72.7 | 173.4 | 0 | 0 | 0 | 111 | V320 K321 N328 L343 Q360 A364 | V320-I324 HydrophobicContact CG1-CD1 3.58Å; V320-I324 HydrophobicContact CG1-CG1 4.17Å; V320-I324 VanDerWaalsContact O-CB 3.29Å; V320-I324 WeakPolarHBondContact O-CB 3.44Å; V320-I324 VanDerWaalsContact O-CG1 3.25Å; V320-I324 WeakPolarHBondContact O-CG1 3.4Å; V320-I324 PolarHBondContact O-N 3.43Å; K321-I324 PolarHBondContact O-N 2.96Å; I324-N328 WeakPolarHBondContact CG2-ND2 3.48Å; I324-N328 WeakPolarHBondContact O-CB 3.05Å; I324-N328 PolarHBondContact O-N 3.47Å; I324-N328 PolarHBondContact O-ND2 3.29Å; I324-L343 HydrophobicContact CG1-CD1 4.03Å; I324-L343 HydrophobicContact CG1-CD2 4.31Å; I324-Q360 HydrophobicContact CD1-CB 3.91Å; I324-A364 HydrophobicContact CG2-CB 4.17Å |
| 325 | Q | 94.5 | Very high | 92.8 | Very high | 115 Ų | 115 | 50.2 Ų | 50.2 | 54% | 0.537 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 173.6 | 174.4 | 163.5 | -42 | 0 | 0 | 111.7 | K321 S322 L323 K329 | K321-Q325 VanDerWaalsContact O-CB 3.3Å; K321-Q325 WeakPolarHBondContact O-CB 3.35Å; K321-Q325 PolarHBondContact O-N 3.39Å; S322-Q325 WeakPolarHBondContact O-CB 3.44Å; S322-Q325 PolarHBondContact O-N 3.29Å; L323-Q325 VanDerWaalsContact C-N 3.29Å; L323-Q325 PolarHBondContact O-N 3.41Å; Q325-K329 HydrophobicContact CG-CD 4.14Å; Q325-K329 HydrophobicContact CG-CG 4.48Å; Q325-K329 WeakPolarHBondContact O-CB 3.47Å; Q325-K329 PolarHBondContact O-N 3.41Å |
| 326 | V | 95.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -51 | 173.2 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | I287 L299 S322 L323 N328 D330 L335 A339 | I287-V326 HydrophobicContact CD1-CG2 4.04Å; I287-V326 HydrophobicContact CG1-CG2 4.29Å; L299-V326 HydrophobicContact CD1-CG1 4.21Å; S322-V326 PolarHBondContact O-N 3.38Å; L323-V326 PolarHBondContact O-N 2.89Å; V326-N328 VanDerWaalsContact C-N 3.28Å; V326-N328 PolarHBondContact O-N 2.96Å; V326-D330 HydrophobicContact CG1-CB 3.89Å; V326-D330 VanDerWaalsContact O-CB 3.25Å; V326-D330 WeakPolarHBondContact O-CB 3.42Å; V326-D330 PolarHBondContact O-N 3.02Å; V326-L335 HydrophobicContact CG1-CB 3.94Å; V326-A339 HydrophobicContact CB-CB 3.8Å; V326-A339 HydrophobicContact CG1-CB 3.62Å |
| 327 | V | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.1 | -43.8 | 179.4 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | L323 A339 A340 L343 A364 K368 L380 | L323-V327 WeakPolarHBondContact O-CG2 3.2Å; L323-V327 PolarHBondContact O-N 2.69Å; V327-A339 HydrophobicContact CG2-CB 3.8Å; V327-A340 HydrophobicContact CG2-CB 4.2Å; V327-L343 HydrophobicContact CG2-CD1 3.99Å; V327-A364 HydrophobicContact CG1-CB 4.14Å; V327-K368 HydrophobicContact CG1-CG 4.09Å; V327-K368 VanDerWaalsContact O-CD 3.27Å; V327-K368 WeakPolarHBondContact O-CD 3.35Å; V327-K368 WeakPolarHBondContact O-CE 3.35Å; V327-K368 WeakPolarHBondContact O-CG 3.5Å; V327-K368 PolarHBondContact O-NZ 2.92Å; V327-L380 HydrophobicContact CG1-CD2 4.28Å |
| 328 | N | 93.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -77.3 | -52.1 | 180 | -76.9 | -52 | 0 | 0 | 0 | 113.8 | I324 V326 A364 K368 | I324-N328 WeakPolarHBondContact CG2-ND2 3.48Å; I324-N328 WeakPolarHBondContact O-CB 3.05Å; I324-N328 PolarHBondContact O-N 3.47Å; I324-N328 PolarHBondContact O-ND2 3.29Å; V326-N328 VanDerWaalsContact C-N 3.28Å; V326-N328 PolarHBondContact O-N 2.96Å; N328-A364 WeakPolarHBondContact ND2-CB 3.38Å; N328-K368 VanDerWaalsContact O-CE 3.23Å; N328-K368 WeakPolarHBondContact O-CE 3.48Å; N328-K368 PolarHBondContact O-NZ 2.89Å |
| 329 | K | 89.6 | Confident | 93.8 | Very high | 155 Ų | 155 | 41.2 Ų | 41.2 | 67% | 0.674 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -100.7 | -20.3 | -164.9 | -58.7 | -171 | -174.8 | 173.5 | 0 | 115.7 | Q325 | Q325-K329 HydrophobicContact CG-CD 4.14Å; Q325-K329 HydrophobicContact CG-CG 4.48Å; Q325-K329 WeakPolarHBondContact O-CB 3.47Å; Q325-K329 PolarHBondContact O-N 3.41Å |
| 330 | D | 91.7 | Very high | 94 | Very high | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | trans | -72.9 | 140 | -178.3 | -150.8 | -49.8 | 0 | 0 | 0 | 111.1 | R295 V326 N332 L335 V336 | R295-D330 IonicContact CZ-OD2 3.32Å; R295-D330 VanDerWaalsContact CZ-OD2 3.24Å; R295-D330 IonicContact NE-OD2 2.65Å; R295-D330 PolarHBondContact NE-OD2 2.64Å; R295-D330 VanDerWaalsContact NH2-CG 3.31Å; R295-D330 IonicContact NH2-OD1 3.08Å; R295-D330 PolarHBondContact NH2-OD1 2.73Å; R295-D330 IonicContact NH2-OD2 3.72Å; R295-D330 PolarHBondContact NH2-OD2 3.38Å; V326-D330 HydrophobicContact CG1-CB 3.89Å; V326-D330 VanDerWaalsContact O-CB 3.25Å; V326-D330 WeakPolarHBondContact O-CB 3.42Å; V326-D330 PolarHBondContact O-N 3.02Å; D330-N332 PolarHBondContact OD1-N 3.5Å; D330-L335 WeakPolarHBondContact OD2-CD1 3.03Å; D330-V336 HydrophobicContact CB-CG2 4.34Å | ||
| 331 | T | 87.4 | Confident | 94 | Very high | 141 Ų | 141 | 45.2 Ų | 45.2 | 87% | 0.865 | 23% | 0.228 | S | C | * | . | trans | -87.4 | -23.2 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 112 | I333 | T331-I333 PolarHBondContact O-N 3.21Š| ||
| 332 | N | 91.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 16% | 0.155 | 21% | 0.206 | C | C | . | . | trans | -81.3 | 109.5 | 178.2 | -171.8 | -33.5 | 0 | 0 | 0 | 110.5 | D330 I334 L335 V336 | D330-N332 PolarHBondContact OD1-N 3.5Å; N332-I334 PolarHBondContact O-N 2.88Å; N332-I334 VanDerWaalsContact O-N 3.12Å; N332-I334 VanDerWaalsContact OD1-CB 3.31Å; N332-I334 WeakPolarHBondContact OD1-CB 3.28Å; N332-I334 PolarHBondContact OD1-N 3.23Å; N332-L335 HydrophobicContact CB-CB 4.46Å; N332-L335 HydrophobicContact CB-CD1 3.98Å; N332-L335 HydrophobicContact CB-CG 3.95Å; N332-L335 WeakPolarHBondContact O-CB 3.4Å; N332-L335 PolarHBondContact O-N 3.14Å; N332-V336 PolarHBondContact O-N 2.75Å; N332-V336 VanDerWaalsContact O-N 3.14Å | ||
| 333 | I | 91.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 18% | 0.179 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -24.4 | -177.4 | -161.7 | 61.9 | 0 | 0 | 0 | 114.1 | T331 V336 T337 E371 K373 V376 | T331-I333 PolarHBondContact O-N 3.21Å; I333-V336 HydrophobicContact CD1-CB 4.38Å; I333-V336 HydrophobicContact CD1-CG1 4.47Å; I333-T337 WeakPolarHBondContact O-CB 3.25Å; I333-T337 PolarHBondContact O-N 2.77Å; I333-T337 PolarHBondContact O-OG1 2.96Å; I333-E371 HydrophobicContact CD1-CG 3.81Å; I333-K373 HydrophobicContact CG1-CD 4.4Å; I333-V376 HydrophobicContact CD1-CB 4.48Å; I333-V376 HydrophobicContact CD1-CG1 3.85Å; I333-V376 HydrophobicContact CD1-CG2 3.86Å; I333-V376 HydrophobicContact CG1-CG1 4.44Å; I333-V376 HydrophobicContact CG1-CG2 3.56Å |
| 334 | I | 91.9 | Very high | 94.1 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 43% | 0.431 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.5 | -42.9 | 174.7 | -56.3 | 174.4 | 0 | 0 | 0 | 109.6 | N332 T337 L338 | N332-I334 PolarHBondContact O-N 2.88Å; N332-I334 VanDerWaalsContact O-N 3.12Å; N332-I334 VanDerWaalsContact OD1-CB 3.31Å; N332-I334 WeakPolarHBondContact OD1-CB 3.28Å; N332-I334 PolarHBondContact OD1-N 3.23Å; I334-T337 PolarHBondContact O-N 3.46Å; I334-L338 HydrophobicContact CG2-CD1 4.24Å; I334-L338 WeakPolarHBondContact O-CG 3.09Å; I334-L338 PolarHBondContact O-N 3.35Å |
| 335 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 177.1 | -55.8 | -176.4 | 0 | 0 | 0 | 111.4 | W292 R295 R296 L299 V326 D330 N332 T337 L338 A339 | W292-L335 HydrophobicContact CB-CD1 4.07Å; R295-L335 HydrophobicContact CB-CD1 3.7Å; R295-L335 HydrophobicContact CB-CD2 4.24Å; R296-L335 HydrophobicContact CB-CD2 3.63Å; R296-L335 HydrophobicContact CG-CD2 4.48Å; R296-L335 VanDerWaalsContact N-CD2 3.33Å; L299-L335 HydrophobicContact CD1-CB 4.04Å; L299-L335 HydrophobicContact CD1-CD2 4.01Å; V326-L335 HydrophobicContact CG1-CB 3.94Å; D330-L335 WeakPolarHBondContact OD2-CD1 3.03Å; N332-L335 HydrophobicContact CB-CB 4.46Å; N332-L335 HydrophobicContact CB-CD1 3.98Å; N332-L335 HydrophobicContact CB-CG 3.95Å; N332-L335 WeakPolarHBondContact O-CB 3.4Å; N332-L335 PolarHBondContact O-N 3.14Å; L335-T337 VanDerWaalsContact C-N 3.3Å; L335-T337 PolarHBondContact O-N 2.85Å; L335-L338 PolarHBondContact O-N 2.96Å; L335-A339 VanDerWaalsContact O-CB 3.28Å; L335-A339 WeakPolarHBondContact O-CB 3.42Å; L335-A339 PolarHBondContact O-N 2.87Å |
| 336 | V | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 172.4 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | D330 N332 I333 A340 K368 V376 | D330-V336 HydrophobicContact CB-CG2 4.34Å; N332-V336 PolarHBondContact O-N 2.75Å; N332-V336 VanDerWaalsContact O-N 3.14Å; I333-V336 HydrophobicContact CD1-CB 4.38Å; I333-V336 HydrophobicContact CD1-CG1 4.47Å; V336-A340 VanDerWaalsContact O-CB 3.32Å; V336-A340 WeakPolarHBondContact O-CB 3.35Å; V336-A340 PolarHBondContact O-N 3.01Å; V336-K368 HydrophobicContact CG1-CD 4.43Å; V336-V376 HydrophobicContact CG1-CG1 4.43Å |
| 337 | T | 95.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 33 Ų | 33 | 18% | 0.184 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | I333 I334 L335 K341 A379 | I333-T337 WeakPolarHBondContact O-CB 3.25Å; I333-T337 PolarHBondContact O-N 2.77Å; I333-T337 PolarHBondContact O-OG1 2.96Å; I334-T337 PolarHBondContact O-N 3.46Å; L335-T337 VanDerWaalsContact C-N 3.3Å; L335-T337 PolarHBondContact O-N 2.85Å; T337-K341 WeakPolarHBondContact O-CB 3.19Å; T337-K341 PolarHBondContact O-N 3.19Å; T337-A379 HydrophobicContact CG2-CB 4.05Å |
| 338 | L | 95.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 176.6 | -73.5 | 169 | 0 | 0 | 0 | 111.2 | R296 L299 E300 E303 I334 L335 A340 K341 I342 | R296-L338 HydrophobicContact CG-CD1 3.9Å; L299-L338 HydrophobicContact CB-CB 4.04Å; L299-L338 HydrophobicContact CB-CD1 4.24Å; L299-L338 HydrophobicContact CD1-CB 4.01Å; E300-L338 HydrophobicContact CG-CD1 4.26Å; E300-L338 HydrophobicContact CG-CD2 4.45Å; E303-L338 VanDerWaalsContact OE2-CD2 3.28Å; E303-L338 WeakPolarHBondContact OE2-CD2 3.29Å; I334-L338 HydrophobicContact CG2-CD1 4.24Å; I334-L338 WeakPolarHBondContact O-CG 3.09Å; I334-L338 PolarHBondContact O-N 3.35Å; L335-L338 PolarHBondContact O-N 2.96Å; L338-A340 VanDerWaalsContact C-N 3.35Å; L338-A340 PolarHBondContact O-N 3.37Å; L338-K341 WeakPolarHBondContact O-CB 3.15Å; L338-K341 PolarHBondContact O-N 3.39Å; L338-K341 VanDerWaalsContact O-N 3.16Å; L338-I342 WeakPolarHBondContact O-CD1 3.21Å; L338-I342 VanDerWaalsContact O-CG1 3.22Å; L338-I342 WeakPolarHBondContact O-CG1 3.22Å; L338-I342 PolarHBondContact O-N 3.43Å |
| 339 | A | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L299 L323 V326 V327 L335 L343 | L299-A339 HydrophobicContact CD1-CB 4.32Å; L299-A339 HydrophobicContact CD2-CB 4.26Å; L323-A339 HydrophobicContact CD2-CB 3.96Å; V326-A339 HydrophobicContact CB-CB 3.8Å; V326-A339 HydrophobicContact CG1-CB 3.62Å; V327-A339 HydrophobicContact CG2-CB 3.8Å; L335-A339 VanDerWaalsContact O-CB 3.28Å; L335-A339 WeakPolarHBondContact O-CB 3.42Å; L335-A339 PolarHBondContact O-N 2.87Å; A339-L343 WeakPolarHBondContact O-CG 3.36Å; A339-L343 PolarHBondContact O-N 3.35Å |
| 340 | A | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -51.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | V327 V336 L338 I342 L343 G344 A379 L380 S383 | V327-A340 HydrophobicContact CG2-CB 4.2Å; V336-A340 VanDerWaalsContact O-CB 3.32Å; V336-A340 WeakPolarHBondContact O-CB 3.35Å; V336-A340 PolarHBondContact O-N 3.01Å; L338-A340 VanDerWaalsContact C-N 3.35Å; L338-A340 PolarHBondContact O-N 3.37Å; A340-I342 PolarHBondContact O-N 3.21Å; A340-L343 WeakPolarHBondContact O-CA 3.48Å; A340-L343 WeakPolarHBondContact O-CB 3.16Å; A340-L343 PolarHBondContact O-N 2.91Å; A340-G344 PolarHBondContact O-N 3.24Å; A340-A379 HydrophobicContact CB-CB 4.02Å; A340-L380 HydrophobicContact CB-CD2 3.93Å; A340-L380 HydrophobicContact CB-CG 4.49Å; A340-S383 PolarHBondContact O-OG 2.9Å |
| 341 | K | 96.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 30.4 Ų | 30.4 | 39% | 0.391 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -54.4 | -39.9 | 179.5 | -168.7 | -178.1 | -177.2 | -166 | 0 | 112.6 | E303 T337 L338 G344 Q345 A379 | E303-K341 HydrophobicContact CG-CD 4.41Å; E303-K341 WeakPolarHBondContact OE1-CE 3.46Å; E303-K341 IonicContact OE1-NZ 2.66Å; E303-K341 PolarHBondContact OE1-NZ 3.5Å; E303-K341 IonicContact OE2-NZ 3.09Å; T337-K341 WeakPolarHBondContact O-CB 3.19Å; T337-K341 PolarHBondContact O-N 3.19Å; L338-K341 WeakPolarHBondContact O-CB 3.15Å; L338-K341 PolarHBondContact O-N 3.39Å; L338-K341 VanDerWaalsContact O-N 3.16Å; K341-G344 PolarHBondContact O-N 3.18Å; K341-Q345 VanDerWaalsContact O-CG 3.32Å; K341-Q345 WeakPolarHBondContact O-CG 3.46Å; K341-Q345 PolarHBondContact O-N 3.23Å; K341-A379 HydrophobicContact CB-CB 4.44Å |
| 342 | I | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -44.2 | 175.4 | -63.6 | 158.9 | 0 | 0 | 0 | 111.4 | L299 V302 E303 T306 L323 L338 A340 G344 Q345 I346 | L299-I342 HydrophobicContact CB-CD1 3.96Å; L299-I342 HydrophobicContact CD2-CD1 3.89Å; L299-I342 VanDerWaalsContact O-CD1 3.28Å; L299-I342 WeakPolarHBondContact O-CD1 3.43Å; V302-I342 HydrophobicContact CB-CD1 4.35Å; V302-I342 HydrophobicContact CG1-CD1 4.45Å; V302-I342 HydrophobicContact CG1-CG2 3.68Å; E303-I342 HydrophobicContact CB-CD1 4.22Å; E303-I342 HydrophobicContact CB-CG1 3.88Å; E303-I342 HydrophobicContact CG-CG1 4.07Å; T306-I342 HydrophobicContact CG2-CG2 4.14Å; L323-I342 HydrophobicContact CD1-CB 4.26Å; L323-I342 HydrophobicContact CD1-CG2 3.52Å; L323-I342 HydrophobicContact CD2-CB 4.06Å; L323-I342 HydrophobicContact CD2-CD1 4.04Å; L323-I342 HydrophobicContact CD2-CG2 3.94Å; L323-I342 HydrophobicContact CG-CG2 4.41Å; L338-I342 WeakPolarHBondContact O-CD1 3.21Å; L338-I342 VanDerWaalsContact O-CG1 3.22Å; L338-I342 WeakPolarHBondContact O-CG1 3.22Å; L338-I342 PolarHBondContact O-N 3.43Å; A340-I342 PolarHBondContact O-N 3.21Å; I342-G344 VanDerWaalsContact C-N 3.34Å; I342-G344 PolarHBondContact O-N 2.88Å; I342-Q345 WeakPolarHBondContact O-CB 3.48Å; I342-Q345 PolarHBondContact O-N 2.95Å; I342-I346 HydrophobicContact CG2-CD1 3.82Å; I342-I346 HydrophobicContact CG2-CG1 4.39Å; I342-I346 VanDerWaalsContact O-CG1 3.32Å; I342-I346 WeakPolarHBondContact O-CG1 3.37Å; I342-I346 PolarHBondContact O-N 3.07Å |
| 343 | L | 96.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 173.8 | -74.4 | 165.7 | 0 | 0 | 0 | 111.8 | V320 L323 I324 V327 A339 A340 Q345 I346 A347 T361 | V320-L343 HydrophobicContact CB-CD2 4.36Å; V320-L343 HydrophobicContact CG1-CD2 3.78Å; V320-L343 HydrophobicContact CG2-CD2 4.24Å; L323-L343 HydrophobicContact CB-CD1 3.95Å; L323-L343 HydrophobicContact CB-CD2 3.82Å; L323-L343 HydrophobicContact CB-CG 3.73Å; L323-L343 HydrophobicContact CD1-CD2 4Å; L323-L343 HydrophobicContact CD1-CG 4.13Å; I324-L343 HydrophobicContact CG1-CD1 4.03Å; I324-L343 HydrophobicContact CG1-CD2 4.31Å; V327-L343 HydrophobicContact CG2-CD1 3.99Å; A339-L343 WeakPolarHBondContact O-CG 3.36Å; A339-L343 PolarHBondContact O-N 3.35Å; A340-L343 WeakPolarHBondContact O-CA 3.48Å; A340-L343 WeakPolarHBondContact O-CB 3.16Å; A340-L343 PolarHBondContact O-N 2.91Å; L343-Q345 PolarHBondContact O-N 3.5Å; L343-I346 PolarHBondContact O-N 2.75Å; L343-A347 WeakPolarHBondContact O-CB 3.45Å; L343-A347 PolarHBondContact O-N 3.09Å; L343-T361 HydrophobicContact CB-CG2 4.31Å; L343-T361 HydrophobicContact CD1-CG2 4.46Å |
| 344 | G | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | A340 K341 I342 R348 | A340-G344 PolarHBondContact O-N 3.24Å; K341-G344 PolarHBondContact O-N 3.18Å; I342-G344 VanDerWaalsContact C-N 3.34Å; I342-G344 PolarHBondContact O-N 2.88Å; G344-R348 WeakPolarHBondContact O-CB 3.06Å; G344-R348 PolarHBondContact O-N 3.28Å |
| 345 | Q | 93.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -48.3 | 172.2 | -76.3 | 168.3 | -4.9 | 0 | 0 | 111.9 | E303 T306 N307 K341 I342 L343 A347 R348 G349 | E303-Q345 PolarHBondContact O-OE1 2.93Å; T306-Q345 PolarHBondContact OG1-OE1 3.22Å; N307-Q345 PolarHBondContact OD1-NE2 2.97Å; K341-Q345 VanDerWaalsContact O-CG 3.32Å; K341-Q345 WeakPolarHBondContact O-CG 3.46Å; K341-Q345 PolarHBondContact O-N 3.23Å; I342-Q345 WeakPolarHBondContact O-CB 3.48Å; I342-Q345 PolarHBondContact O-N 2.95Å; L343-Q345 PolarHBondContact O-N 3.5Å; Q345-A347 PolarHBondContact O-N 2.98Å; Q345-R348 PolarHBondContact O-N 2.55Å; Q345-G349 PolarHBondContact O-N 2.83Å |
| 346 | I | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 178.9 | -67.2 | 168.5 | 0 | 0 | 0 | 110.6 | T306 F316 L319 L323 I342 L343 R348 G349 L350 F354 | T306-I346 HydrophobicContact CG2-CD1 4.05Å; T306-I346 HydrophobicContact CG2-CG1 3.68Å; F316-I346 HydrophobicContact CD1-CG2 4.18Å; L319-I346 HydrophobicContact CD2-CD1 3.85Å; L319-I346 HydrophobicContact CG-CD1 4.45Å; L323-I346 HydrophobicContact CD1-CD1 3.8Å; I342-I346 HydrophobicContact CG2-CD1 3.82Å; I342-I346 HydrophobicContact CG2-CG1 4.39Å; I342-I346 VanDerWaalsContact O-CG1 3.32Å; I342-I346 WeakPolarHBondContact O-CG1 3.37Å; I342-I346 PolarHBondContact O-N 3.07Å; L343-I346 PolarHBondContact O-N 2.75Å; I346-R348 PolarHBondContact O-N 2.72Å; I346-G349 PolarHBondContact O-N 3.06Å; I346-L350 HydrophobicContact CG2-CD1 3.68Å; I346-L350 HydrophobicContact CG2-CG 4.41Å; I346-L350 WeakPolarHBondContact O-CB 3.43Å; I346-L350 PolarHBondContact O-N 3.39Å; I346-F354 HydrophobicContact CB-CE2 4.47Å; I346-F354 HydrophobicContact CG2-CD2 3.9Å; I346-F354 HydrophobicContact CG2-CE2 3.8Å |
| 347 | A | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L343 Q345 G349 K351 F354 | L343-A347 WeakPolarHBondContact O-CB 3.45Å; L343-A347 PolarHBondContact O-N 3.09Å; Q345-A347 PolarHBondContact O-N 2.98Å; A347-G349 PolarHBondContact O-N 3.28Å; A347-K351 WeakPolarHBondContact O-CA 3.25Å; A347-K351 PolarHBondContact O-N 3.33Å; A347-F354 HydrophobicContact CB-CD1 3.57Å; A347-F354 HydrophobicContact CB-CD2 4.15Å; A347-F354 HydrophobicContact CB-CE1 3.67Å; A347-F354 HydrophobicContact CB-CE2 4.24Å; A347-F354 HydrophobicContact CB-CG 3.82Å; A347-F354 HydrophobicContact CB-CZ 4Å |
| 348 | R | 89.1 | Confident | 92.4 | Very high | 119 Ų | 119 | 33.7 Ų | 33.7 | 45% | 0.449 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.4 | -32.6 | 177.9 | -169.9 | -179.6 | -54.5 | 165.8 | 7.5 | 113.1 | G344 Q345 I346 K351 E382 | G344-R348 WeakPolarHBondContact O-CB 3.06Å; G344-R348 PolarHBondContact O-N 3.28Å; Q345-R348 PolarHBondContact O-N 2.55Å; I346-R348 PolarHBondContact O-N 2.72Å; R348-K351 WeakPolarHBondContact O-CE 3.37Å; R348-K351 VanDerWaalsContact O-CG 3.22Å; R348-K351 WeakPolarHBondContact O-CG 3.5Å; R348-E382 IonicContact CZ-OE2 3.36Å; R348-E382 IonicContact NH1-OE2 3.09Å; R348-E382 PolarHBondContact NH1-OE2 3.06Å; R348-E382 IonicContact NH2-OE2 3.48Å; R348-E382 PolarHBondContact NH2-OE2 2.93Å |
| 349 | G | 86.8 | Confident | 92.4 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -83 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R310 I311 Q345 I346 A347 | R310-G349 WeakPolarHBondContact CA-O 3.37Å; I311-G349 PolarHBondContact N-O 2.68Å; Q345-G349 PolarHBondContact O-N 2.83Å; I346-G349 PolarHBondContact O-N 3.06Å; A347-G349 PolarHBondContact O-N 3.28Å |
| 350 | L | 88.5 | Confident | 92.2 | Very high | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -93 | -24.2 | 177.9 | -71.5 | 176.2 | 0 | 0 | 0 | 113.9 | I311 F316 I346 S352 K353 F354 | I311-L350 HydrophobicContact CB-CD2 3.92Å; I311-L350 HydrophobicContact CB-CG 4.18Å; I311-L350 HydrophobicContact CG2-CD2 3.76Å; I311-L350 HydrophobicContact CG2-CG 4.17Å; F316-L350 HydrophobicContact CD2-CD1 3.66Å; F316-L350 HydrophobicContact CD2-CD2 4.5Å; F316-L350 HydrophobicContact CE2-CD1 3.88Å; F316-L350 HydrophobicContact CE2-CD2 3.99Å; F316-L350 HydrophobicContact CE2-CG 4.45Å; F316-L350 HydrophobicContact CG-CD1 4.05Å; F316-L350 HydrophobicContact CZ-CD1 4.43Å; I346-L350 HydrophobicContact CG2-CD1 3.68Å; I346-L350 HydrophobicContact CG2-CG 4.41Å; I346-L350 WeakPolarHBondContact O-CB 3.43Å; I346-L350 PolarHBondContact O-N 3.39Å; L350-S352 PolarHBondContact O-N 2.8Å; L350-K353 HydrophobicContact CB-CB 4.3Å; L350-K353 WeakPolarHBondContact O-CB 3.46Å; L350-K353 PolarHBondContact O-N 3.28Å; L350-F354 HydrophobicContact CB-CB 4.12Å; L350-F354 HydrophobicContact CD1-CD2 4.32Å |
| 351 | K | 87.2 | Confident | 92.2 | Very high | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | 54.6 | -123.9 | 176.2 | -55.1 | -179.6 | -178.4 | 177.7 | 0 | 110.2 | D267 A347 R348 K353 F354 S390 | D267-K351 IonicContact OD1-NZ 2.75Å; D267-K351 PolarHBondContact OD1-NZ 3.17Å; D267-K351 WeakPolarHBondContact OD2-CD 3.49Å; D267-K351 WeakPolarHBondContact OD2-CE 3.38Å; D267-K351 IonicContact OD2-NZ 2.67Å; D267-K351 PolarHBondContact OD2-NZ 3.16Å; A347-K351 WeakPolarHBondContact O-CA 3.25Å; A347-K351 PolarHBondContact O-N 3.33Å; R348-K351 WeakPolarHBondContact O-CE 3.37Å; R348-K351 VanDerWaalsContact O-CG 3.22Å; R348-K351 WeakPolarHBondContact O-CG 3.5Å; K351-K353 PolarHBondContact O-N 3.2Å; K351-F354 WeakPolarHBondContact O-CB 3.5Å; K351-F354 PolarHBondContact O-N 2.72Å; K351-S390 WeakPolarHBondContact O-CB 3.45Å |
| 352 | S | 85.6 | Confident | 92.1 | Very high | 83 Ų | 83 | 37.7 Ų | 37.7 | 58% | 0.58 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -58.4 | -21.1 | 178.9 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | L350 F354 S355 S390 | L350-S352 PolarHBondContact O-N 2.8Å; S352-F354 VanDerWaalsContact C-N 3.26Å; S352-F354 PolarHBondContact O-N 2.95Å; S352-S355 WeakPolarHBondContact O-CB 3.39Å; S352-S355 PolarHBondContact O-N 2.62Å; S352-S390 WeakPolarHBondContact CA-O 3.23Å |
| 353 | K | 87.6 | Confident | 92 | Very high | 133 Ų | 133 | 41.7 Ų | 41.7 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -76.7 | -8.5 | 174.5 | -57.7 | -60.1 | -174.9 | -179.7 | 0 | 113.7 | P313 L350 K351 S355 | P313-K353 HydrophobicContact CB-CB 4.33Å; P313-K353 HydrophobicContact CB-CG 4.18Å; P313-K353 HydrophobicContact CG-CB 4.36Å; P313-K353 HydrophobicContact CG-CG 3.9Å; L350-K353 HydrophobicContact CB-CB 4.3Å; L350-K353 WeakPolarHBondContact O-CB 3.46Å; L350-K353 PolarHBondContact O-N 3.28Å; K351-K353 PolarHBondContact O-N 3.2Å; K353-S355 VanDerWaalsContact C-N 3.34Å |
| 354 | F | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -82 | -9.4 | 170.7 | -166.7 | -104.4 | 0 | 0 | 0 | 113.6 | V320 I346 A347 L350 K351 S352 P356 Y357 S358 T361 A387 | V320-F354 HydrophobicContact CG2-CE2 4.16Å; I346-F354 HydrophobicContact CB-CE2 4.47Å; I346-F354 HydrophobicContact CG2-CD2 3.9Å; I346-F354 HydrophobicContact CG2-CE2 3.8Å; A347-F354 HydrophobicContact CB-CD1 3.57Å; A347-F354 HydrophobicContact CB-CD2 4.15Å; A347-F354 HydrophobicContact CB-CE1 3.67Å; A347-F354 HydrophobicContact CB-CE2 4.24Å; A347-F354 HydrophobicContact CB-CG 3.82Å; A347-F354 HydrophobicContact CB-CZ 4Å; L350-F354 HydrophobicContact CB-CB 4.12Å; L350-F354 HydrophobicContact CD1-CD2 4.32Å; K351-F354 WeakPolarHBondContact O-CB 3.5Å; K351-F354 PolarHBondContact O-N 2.72Å; S352-F354 VanDerWaalsContact C-N 3.26Å; S352-F354 PolarHBondContact O-N 2.95Å; F354-P356 VanDerWaalsContact C-N 3.32Å; F354-P356 VanDerWaalsContact O-N 3.09Å; F354-Y357 AromaticContact CD2-CD2 3.81Å; F354-Y357 HydrophobicContact CD2-CD2 3.81Å; F354-Y357 HydrophobicContact CD2-CG 4.5Å; F354-Y357 HydrophobicContact CE2-CD2 4.02Å; F354-Y357 HydrophobicContact CE2-CG 4.35Å; F354-Y357 HydrophobicContact CG-CD2 4.45Å; F354-Y357 PolarHBondContact O-N 3.34Å; F354-S358 PolarHBondContact O-N 2.91Å; F354-T361 HydrophobicContact CE1-CG2 4.1Å; F354-T361 HydrophobicContact CZ-CG2 4.11Å; F354-T361 VanDerWaalsContact CZ-OG1 3.3Å; F354-T361 WeakPolarHBondContact CZ-OG1 3.3Å; F354-A387 HydrophobicContact CE1-CB 4.24Å |
| 355 | S | 91.4 | Very high | 92 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -44.9 | -43.1 | -177 | -172.9 | 0 | 0 | 0 | 0 | 115 | S352 K353 Y357 S358 T391 | S352-S355 WeakPolarHBondContact O-CB 3.39Å; S352-S355 PolarHBondContact O-N 2.62Å; K353-S355 VanDerWaalsContact C-N 3.34Å; S355-Y357 PolarHBondContact O-N 3.1Å; S355-Y357 VanDerWaalsContact O-N 3.16Å; S355-S358 WeakPolarHBondContact O-CB 3.48Å; S355-S358 PolarHBondContact O-N 3.38Å; S355-S358 PolarHBondContact O-OG 2.89Å; S355-T391 WeakPolarHBondContact OG-CB 3.01Å; S355-T391 PolarHBondContact OG-OG1 3.35Å |
| 356 | P | 92.3 | Very high | 92 | Very high | 99 Ų | 99 | 41.8 Ų | 41.8 | 64% | 0.643 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.1 | -24.4 | 179.6 | -24.2 | 35.6 | 0 | 0 | 0 | 114.9 | F354 | F354-P356 VanDerWaalsContact C-N 3.32Å; F354-P356 VanDerWaalsContact O-N 3.09Å |
| 357 | Y | 93.6 | Very high | 91.9 | Very high | 30 Ų | 30 | 43 Ų | 43 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -102.3 | -10.8 | -177.3 | -47.8 | -57.5 | 0 | 0 | 0 | 113.4 | F316 T317 V320 F354 S355 Q359 T361 | F316-Y357 HydrophobicContact CB-CE2 3.91Å; F316-Y357 PolarHBondContact N-OH 3.37Å; T317-Y357 HydrophobicContact CG2-CE1 4.34Å; T317-Y357 PolarHBondContact N-OH 3.44Å; T317-Y357 WeakPolarHBondContact OG1-CE1 3.32Å; T317-Y357 PolarHBondContact OG1-OH 2.88Å; V320-Y357 HydrophobicContact CB-CD1 4.41Å; V320-Y357 HydrophobicContact CB-CG 4.41Å; V320-Y357 HydrophobicContact CG1-CD1 4.31Å; V320-Y357 HydrophobicContact CG1-CG 4.13Å; V320-Y357 HydrophobicContact CG2-CD2 4.42Å; V320-Y357 HydrophobicContact CG2-CG 4.38Å; F354-Y357 AromaticContact CD2-CD2 3.81Å; F354-Y357 HydrophobicContact CD2-CD2 3.81Å; F354-Y357 HydrophobicContact CD2-CG 4.5Å; F354-Y357 HydrophobicContact CE2-CD2 4.02Å; F354-Y357 HydrophobicContact CE2-CG 4.35Å; F354-Y357 HydrophobicContact CG-CD2 4.45Å; F354-Y357 PolarHBondContact O-N 3.34Å; S355-Y357 PolarHBondContact O-N 3.1Å; S355-Y357 VanDerWaalsContact O-N 3.16Å; Y357-Q359 PolarHBondContact O-N 3.49Å; Y357-T361 WeakPolarHBondContact O-CB 3.43Å; Y357-T361 PolarHBondContact O-N 2.98Å; Y357-T361 PolarHBondContact O-OG1 3.39Å |
| 358 | S | 93.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | -167.9 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | F354 S355 T361 L362 S390 | F354-S358 PolarHBondContact O-N 2.91Å; S355-S358 WeakPolarHBondContact O-CB 3.48Å; S355-S358 PolarHBondContact O-N 3.38Å; S355-S358 PolarHBondContact O-OG 2.89Å; S358-T361 PolarHBondContact O-N 3.19Å; S358-L362 PolarHBondContact O-N 3.02Å; S358-S390 WeakPolarHBondContact CB-OG 3.46Å |
| 359 | Q | 94.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 41% | 0.407 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.1 | -47.6 | -176.8 | -166.8 | 178.3 | 17 | 0 | 0 | 111.8 | Y357 T361 L362 Q363 F396 D399 | Y357-Q359 PolarHBondContact O-N 3.49Å; Q359-T361 VanDerWaalsContact C-N 3.29Å; Q359-T361 PolarHBondContact O-N 2.98Å; Q359-L362 PolarHBondContact O-N 3.37Å; Q359-Q363 WeakPolarHBondContact O-CB 3.42Å; Q359-Q363 WeakPolarHBondContact O-CG 3.46Å; Q359-Q363 PolarHBondContact O-N 2.9Å; Q359-F396 HydrophobicContact CB-CE1 4.37Å; Q359-D399 VanDerWaalsContact CG-OD2 3.27Å; Q359-D399 WeakPolarHBondContact CG-OD2 3.47Å; Q359-D399 PolarHBondContact NE2-OD2 3.25Å |
| 360 | Q | 93.7 | Very high | 92.2 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 177.6 | -61 | -177 | 13.9 | 0 | 0 | 111.7 | I324 A364 | I324-Q360 HydrophobicContact CD1-CB 3.91Å; Q360-A364 WeakPolarHBondContact O-CB 3.3Å; Q360-A364 PolarHBondContact O-N 3.31Å |
| 361 | T | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 174.9 | -57 | 0 | 0 | 0 | 0 | 111.3 | L343 F354 Y357 S358 Q359 A364 C365 A387 | L343-T361 HydrophobicContact CB-CG2 4.31Å; L343-T361 HydrophobicContact CD1-CG2 4.46Å; F354-T361 HydrophobicContact CE1-CG2 4.1Å; F354-T361 HydrophobicContact CZ-CG2 4.11Å; F354-T361 VanDerWaalsContact CZ-OG1 3.3Å; F354-T361 WeakPolarHBondContact CZ-OG1 3.3Å; Y357-T361 WeakPolarHBondContact O-CB 3.43Å; Y357-T361 PolarHBondContact O-N 2.98Å; Y357-T361 PolarHBondContact O-OG1 3.39Å; S358-T361 PolarHBondContact O-N 3.19Å; Q359-T361 VanDerWaalsContact C-N 3.29Å; Q359-T361 PolarHBondContact O-N 2.98Å; T361-A364 PolarHBondContact O-N 3.46Å; T361-C365 PolarHBondContact O-N 3.24Å; T361-C365 PolarHBondContact O-SG 3.03Å; T361-A387 HydrophobicContact CG2-CB 4.15Å |
| 362 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | 178 | -178 | 67.5 | 0 | 0 | 0 | 111.4 | S358 Q359 A364 C365 L366 A384 A387 I388 F396 I400 | S358-L362 PolarHBondContact O-N 3.02Å; Q359-L362 PolarHBondContact O-N 3.37Å; L362-A364 VanDerWaalsContact C-N 3.31Å; L362-A364 PolarHBondContact O-N 2.78Å; L362-C365 PolarHBondContact O-N 3.41Å; L362-C365 VanDerWaalsContact O-N 3.09Å; L362-L366 HydrophobicContact CD1-CD1 4.27Å; L362-L366 HydrophobicContact CD1-CG 4.15Å; L362-L366 HydrophobicContact CD2-CD1 4.25Å; L362-L366 HydrophobicContact CG-CD1 3.82Å; L362-L366 HydrophobicContact CG-CG 4.14Å; L362-L366 WeakPolarHBondContact O-CB 3.35Å; L362-L366 WeakPolarHBondContact O-CG 3.36Å; L362-L366 PolarHBondContact O-N 2.9Å; L362-A384 HydrophobicContact CD1-CB 3.69Å; L362-A387 HydrophobicContact CB-CB 4.44Å; L362-I388 HydrophobicContact CD1-CD1 3.89Å; L362-I388 HydrophobicContact CD1-CG1 4.17Å; L362-I388 HydrophobicContact CD2-CD1 4.21Å; L362-I388 HydrophobicContact CD2-CG1 4.04Å; L362-F396 HydrophobicContact CB-CD1 4.5Å; L362-F396 HydrophobicContact CD2-CB 3.67Å; L362-F396 HydrophobicContact CD2-CD1 3.47Å; L362-F396 VanDerWaalsContact CD2-CD1 3.47Å; L362-F396 HydrophobicContact CD2-CD2 4.43Å; L362-F396 HydrophobicContact CD2-CE1 4.2Å; L362-F396 HydrophobicContact CD2-CG 3.6Å; L362-I400 HydrophobicContact CD2-CD1 4.22Å; L362-I400 HydrophobicContact CD2-CG1 4.07Å |
| 363 | Q | 94.7 | Very high | 92.3 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -43.8 | 175.1 | -76 | 171.6 | -10.4 | 0 | 0 | 112.1 | Q359 G367 D399 | Q359-Q363 WeakPolarHBondContact O-CB 3.42Å; Q359-Q363 WeakPolarHBondContact O-CG 3.46Å; Q359-Q363 PolarHBondContact O-N 2.9Å; Q363-G367 PolarHBondContact O-N 2.75Å; Q363-D399 VanDerWaalsContact CG-OD1 3.23Å; Q363-D399 WeakPolarHBondContact CG-OD1 3.49Å; Q363-D399 PolarHBondContact NE2-OD1 3.45Å; Q363-D399 PolarHBondContact NE2-OD2 2.91Å |
| 364 | A | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I324 V327 N328 Q360 T361 L362 G367 K368 | I324-A364 HydrophobicContact CG2-CB 4.17Å; V327-A364 HydrophobicContact CG1-CB 4.14Å; N328-A364 WeakPolarHBondContact ND2-CB 3.38Å; Q360-A364 WeakPolarHBondContact O-CB 3.3Å; Q360-A364 PolarHBondContact O-N 3.31Å; T361-A364 PolarHBondContact O-N 3.46Å; L362-A364 VanDerWaalsContact C-N 3.31Å; L362-A364 PolarHBondContact O-N 2.78Å; A364-G367 PolarHBondContact O-N 2.92Å; A364-K368 PolarHBondContact O-N 3.29Å |
| 365 | C | 95.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66 | -48.9 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | T361 L362 G367 K368 F369 L380 S383 A384 | T361-C365 PolarHBondContact O-N 3.24Å; T361-C365 PolarHBondContact O-SG 3.03Å; L362-C365 PolarHBondContact O-N 3.41Å; L362-C365 VanDerWaalsContact O-N 3.09Å; C365-G367 VanDerWaalsContact C-N 3.26Å; C365-G367 PolarHBondContact O-N 3.16Å; C365-K368 CarbonylContact O-C 3.29Å; C365-K368 PolarHBondContact O-N 3Å; C365-F369 HydrophobicContact CB-CE2 4.07Å; C365-F369 HydrophobicContact CB-CZ 4.42Å; C365-F369 WeakPolarHBondContact O-CD2 3.44Å; C365-F369 PolarHBondContact O-N 3.22Å; C365-L380 HydrophobicContact CB-CD2 4.46Å; C365-S383 WeakPolarHBondContact SG-CB 3.34Å; C365-A384 HydrophobicContact CB-CB 4.19Å |
| 366 | L | 93.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -38.7 | 175.9 | -66.8 | 174.5 | 0 | 0 | 0 | 111.8 | L362 K368 F369 D399 I400 A403 I418 | L362-L366 HydrophobicContact CD1-CD1 4.27Å; L362-L366 HydrophobicContact CD1-CG 4.15Å; L362-L366 HydrophobicContact CD2-CD1 4.25Å; L362-L366 HydrophobicContact CG-CD1 3.82Å; L362-L366 HydrophobicContact CG-CG 4.14Å; L362-L366 WeakPolarHBondContact O-CB 3.35Å; L362-L366 WeakPolarHBondContact O-CG 3.36Å; L362-L366 PolarHBondContact O-N 2.9Å; L366-K368 VanDerWaalsContact C-N 3.26Å; L366-K368 PolarHBondContact O-N 2.99Å; L366-F369 HydrophobicContact CD2-CD2 4.24Å; L366-F369 HydrophobicContact CD2-CE2 4.31Å; L366-D399 HydrophobicContact CD1-CB 4.24Å; L366-I400 HydrophobicContact CD1-CG1 4.4Å; L366-A403 HydrophobicContact CB-CB 4.35Å; L366-A403 HydrophobicContact CD1-CB 4.07Å; L366-A403 HydrophobicContact CD2-CB 3.82Å; L366-A403 HydrophobicContact CG-CB 4.29Å; L366-I418 HydrophobicContact CD2-CD1 4.05Å |
| 367 | G | 90.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -27.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q363 A364 C365 K370 | Q363-G367 PolarHBondContact O-N 2.75Å; A364-G367 PolarHBondContact O-N 2.92Å; C365-G367 VanDerWaalsContact C-N 3.26Å; C365-G367 PolarHBondContact O-N 3.16Å; G367-K370 WeakPolarHBondContact O-CD 3.42Å; G367-K370 WeakPolarHBondContact O-CE 3.29Å; G367-K370 PolarHBondContact O-NZ 3.07Å |
| 368 | K | 92.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 54.8 Ų | 54.8 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -106 | -8 | -173.2 | -76.2 | -84.4 | 163.3 | 133.9 | 0 | 115.5 | V327 N328 V336 A364 C365 L366 K370 E371 L380 | V327-K368 HydrophobicContact CG1-CG 4.09Å; V327-K368 VanDerWaalsContact O-CD 3.27Å; V327-K368 WeakPolarHBondContact O-CD 3.35Å; V327-K368 WeakPolarHBondContact O-CE 3.35Å; V327-K368 WeakPolarHBondContact O-CG 3.5Å; V327-K368 PolarHBondContact O-NZ 2.92Å; N328-K368 VanDerWaalsContact O-CE 3.23Å; N328-K368 WeakPolarHBondContact O-CE 3.48Å; N328-K368 PolarHBondContact O-NZ 2.89Å; V336-K368 HydrophobicContact CG1-CD 4.43Å; A364-K368 PolarHBondContact O-N 3.29Å; C365-K368 CarbonylContact O-C 3.29Å; C365-K368 PolarHBondContact O-N 3Å; L366-K368 VanDerWaalsContact C-N 3.26Å; L366-K368 PolarHBondContact O-N 2.99Å; K368-K370 PolarHBondContact O-N 3.08Å; K368-E371 WeakPolarHBondContact O-CB 3.46Å; K368-E371 PolarHBondContact O-N 2.86Å; K368-L380 HydrophobicContact CB-CD1 3.87Å; K368-L380 HydrophobicContact CB-CD2 4.11Å |
| 369 | F | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 14.5 | 166.1 | -67.7 | -58.4 | 0 | 0 | 0 | 115 | C365 L366 E371 V377 L380 R381 A384 N410 V411 E414 I418 | C365-F369 HydrophobicContact CB-CE2 4.07Å; C365-F369 HydrophobicContact CB-CZ 4.42Å; C365-F369 WeakPolarHBondContact O-CD2 3.44Å; C365-F369 PolarHBondContact O-N 3.22Å; L366-F369 HydrophobicContact CD2-CD2 4.24Å; L366-F369 HydrophobicContact CD2-CE2 4.31Å; F369-E371 VanDerWaalsContact C-N 3.26Å; F369-V377 HydrophobicContact CD1-CG1 4.3Å; F369-V377 HydrophobicContact CE1-CG1 4.34Å; F369-L380 HydrophobicContact CD1-CB 4.03Å; F369-L380 HydrophobicContact CD1-CD1 4.15Å; F369-L380 HydrophobicContact CE1-CB 3.35Å; F369-L380 HydrophobicContact CE1-CD1 4.32Å; F369-L380 HydrophobicContact CE1-CG 4.48Å; F369-L380 HydrophobicContact CZ-CB 3.69Å; F369-R381 HydrophobicContact CE1-CG 4.05Å; F369-R381 HydrophobicContact CZ-CG 4.34Å; F369-A384 HydrophobicContact CE2-CB 4.46Å; F369-A384 HydrophobicContact CZ-CB 4.35Å; F369-N410 PolarHBondContact O-ND2 2.77Å; F369-V411 HydrophobicContact CB-CG2 4.24Å; F369-E414 HydrophobicContact CB-CB 3.98Å; F369-E414 HydrophobicContact CB-CG 4.05Å; F369-E414 HydrophobicContact CD1-CB 3.93Å; F369-E414 HydrophobicContact CD1-CG 3.66Å; F369-E414 HydrophobicContact CD2-CB 3.94Å; F369-E414 HydrophobicContact CE1-CB 4.39Å; F369-E414 HydrophobicContact CE1-CG 4.22Å; F369-E414 HydrophobicContact CE2-CB 4.46Å; F369-E414 HydrophobicContact CG-CB 3.7Å; F369-E414 HydrophobicContact CG-CG 3.86Å; F369-I418 HydrophobicContact CD2-CD1 4.31Å; F369-I418 HydrophobicContact CE2-CD1 3.5Å; F369-I418 HydrophobicContact CZ-CD1 3.95Å |
| 370 | K | 89.5 | Confident | 92.2 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23.2 | 161.8 | -61.8 | 166.7 | -171.4 | 134.7 | 0 | 111.2 | G367 K368 H406 V411 | G367-K370 WeakPolarHBondContact O-CD 3.42Å; G367-K370 WeakPolarHBondContact O-CE 3.29Å; G367-K370 PolarHBondContact O-NZ 3.07Å; K368-K370 PolarHBondContact O-N 3.08Å; K370-H406 WeakPolarHBondContact CE-CE1 3.49Å; K370-H406 WeakPolarHBondContact CE-NE2 3.38Å; K370-V411 HydrophobicContact CG-CG2 3.67Å |
| 371 | E | 90.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | trans | -68.3 | 145.3 | 175.1 | -75.3 | -61.9 | 151.9 | 0 | 0 | 113 | I333 K368 F369 V376 V377 N410 | I333-E371 HydrophobicContact CD1-CG 3.81Å; K368-E371 WeakPolarHBondContact O-CB 3.46Å; K368-E371 PolarHBondContact O-N 2.86Å; F369-E371 VanDerWaalsContact C-N 3.26Å; E371-V376 HydrophobicContact CB-CG1 4.29Å; E371-V376 HydrophobicContact CG-CG1 4.4Å; E371-V377 WeakPolarHBondContact O-CG2 3.18Å; E371-N410 PolarHBondContact O-ND2 3.19Å | ||
| 372 | K | 85.6 | Confident | 92.1 | Very high | 163 Ų | 163 | 52.3 Ų | 52.3 | 71% | 0.709 | 26% | 0.257 | S | S | * | . | trans | -115.4 | -7.1 | -177 | -63.8 | -165.3 | 174.1 | -159.9 | 0 | 115 | P374 | K372-P374 WeakPolarHBondContact O-CD 3.33Š| ||
| 373 | K | 87.5 | Confident | 92.1 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | trans | -72.9 | 118.8 | -179.7 | -74.5 | 178.2 | 178.6 | 177.5 | 0 | 109.4 | I333 N375 V376 V377 | I333-K373 HydrophobicContact CG1-CD 4.4Å; K373-N375 VanDerWaalsContact C-N 3.3Å; K373-N375 PolarHBondContact O-N 3.12Å; K373-N375 VanDerWaalsContact O-N 3.14Å; K373-V376 HydrophobicContact CB-CB 4.46Å; K373-V376 HydrophobicContact CB-CG2 3.61Å; K373-V376 WeakPolarHBondContact O-CB 3.29Å; K373-V376 PolarHBondContact O-N 3.07Å; K373-V377 PolarHBondContact O-N 2.7Å; K373-V377 VanDerWaalsContact O-N 3.15Å | ||
| 374 | P | 88.2 | Confident | 92.2 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -54.3 | -39.6 | -169.6 | -30.9 | 36.7 | 0 | 0 | 0 | 114.9 | K372 V376 V377 Q378 | K372-P374 WeakPolarHBondContact O-CD 3.33Å; P374-V376 VanDerWaalsContact C-N 3.28Å; P374-V376 PolarHBondContact O-N 3.28Å; P374-V377 PolarHBondContact O-N 2.63Å; P374-Q378 WeakPolarHBondContact O-CB 3.39Å; P374-Q378 PolarHBondContact O-N 3.47Å |
| 375 | N | 87.5 | Confident | 92.1 | Very high | 130 Ų | 130 | 49.9 Ų | 49.9 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.6 | -35.4 | 179.5 | -57.2 | 9.2 | 0 | 0 | 0 | 112.3 | K373 A379 | K373-N375 VanDerWaalsContact C-N 3.3Å; K373-N375 PolarHBondContact O-N 3.12Å; K373-N375 VanDerWaalsContact O-N 3.14Å; N375-A379 PolarHBondContact O-N 3.41Å |
| 376 | V | 92.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.2 | -50 | 176.9 | -166.1 | 0 | 0 | 0 | 0 | 109.4 | I333 V336 E371 K373 P374 Q378 A379 L380 | I333-V376 HydrophobicContact CD1-CB 4.48Å; I333-V376 HydrophobicContact CD1-CG1 3.85Å; I333-V376 HydrophobicContact CD1-CG2 3.86Å; I333-V376 HydrophobicContact CG1-CG1 4.44Å; I333-V376 HydrophobicContact CG1-CG2 3.56Å; V336-V376 HydrophobicContact CG1-CG1 4.43Å; E371-V376 HydrophobicContact CB-CG1 4.29Å; E371-V376 HydrophobicContact CG-CG1 4.4Å; K373-V376 HydrophobicContact CB-CB 4.46Å; K373-V376 HydrophobicContact CB-CG2 3.61Å; K373-V376 WeakPolarHBondContact O-CB 3.29Å; K373-V376 PolarHBondContact O-N 3.07Å; P374-V376 VanDerWaalsContact C-N 3.28Å; P374-V376 PolarHBondContact O-N 3.28Å; V376-Q378 VanDerWaalsContact C-N 3.27Å; V376-Q378 PolarHBondContact O-N 3.26Å; V376-A379 PolarHBondContact O-N 2.68Å; V376-L380 HydrophobicContact CG1-CD1 4.02Å; V376-L380 HydrophobicContact CG1-CG 4.43Å; V376-L380 VanDerWaalsContact O-CG 3.3Å; V376-L380 WeakPolarHBondContact O-CG 3.43Å; V376-L380 PolarHBondContact O-N 3.17Å |
| 377 | V | 93.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -40.5 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | F369 E371 K373 P374 L380 R381 E414 | F369-V377 HydrophobicContact CD1-CG1 4.3Å; F369-V377 HydrophobicContact CE1-CG1 4.34Å; E371-V377 WeakPolarHBondContact O-CG2 3.18Å; K373-V377 PolarHBondContact O-N 2.7Å; K373-V377 VanDerWaalsContact O-N 3.15Å; P374-V377 PolarHBondContact O-N 2.63Å; V377-L380 PolarHBondContact O-N 3.03Å; V377-R381 HydrophobicContact CG1-CG 4.35Å; V377-R381 WeakPolarHBondContact O-CB 3.3Å; V377-R381 VanDerWaalsContact O-CG 3.25Å; V377-R381 WeakPolarHBondContact O-CG 3.48Å; V377-R381 PolarHBondContact O-N 2.68Å; V377-E414 HydrophobicContact CG1-CG 4.41Å; V377-E414 WeakPolarHBondContact CG1-OE1 3.4Å |
| 378 | Q | 93.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -45.4 | 175.8 | -177.5 | 57.9 | 25.6 | 0 | 0 | 112.5 | P374 V376 L380 R381 E382 | P374-Q378 WeakPolarHBondContact O-CB 3.39Å; P374-Q378 PolarHBondContact O-N 3.47Å; V376-Q378 VanDerWaalsContact C-N 3.27Å; V376-Q378 PolarHBondContact O-N 3.26Å; Q378-L380 VanDerWaalsContact C-N 3.33Å; Q378-L380 PolarHBondContact O-N 3.27Å; Q378-R381 PolarHBondContact O-N 2.87Å; Q378-E382 PolarHBondContact NE2-OE1 3.49Å; Q378-E382 PolarHBondContact O-N 2.82Å |
| 379 | A | 93.5 | Very high | 91.6 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T337 A340 K341 N375 V376 S383 | T337-A379 HydrophobicContact CG2-CB 4.05Å; A340-A379 HydrophobicContact CB-CB 4.02Å; K341-A379 HydrophobicContact CB-CB 4.44Å; N375-A379 PolarHBondContact O-N 3.41Å; V376-A379 PolarHBondContact O-N 2.68Å; A379-S383 WeakPolarHBondContact O-CB 3.24Å; A379-S383 PolarHBondContact O-N 2.96Å; A379-S383 PolarHBondContact O-OG 2.94Å |
| 380 | L | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -39.9 | 175 | -66.5 | 171 | 0 | 0 | 0 | 112.2 | V327 A340 C365 K368 F369 V376 V377 Q378 S383 A384 | V327-L380 HydrophobicContact CG1-CD2 4.28Å; A340-L380 HydrophobicContact CB-CD2 3.93Å; A340-L380 HydrophobicContact CB-CG 4.49Å; C365-L380 HydrophobicContact CB-CD2 4.46Å; K368-L380 HydrophobicContact CB-CD1 3.87Å; K368-L380 HydrophobicContact CB-CD2 4.11Å; F369-L380 HydrophobicContact CD1-CB 4.03Å; F369-L380 HydrophobicContact CD1-CD1 4.15Å; F369-L380 HydrophobicContact CE1-CB 3.35Å; F369-L380 HydrophobicContact CE1-CD1 4.32Å; F369-L380 HydrophobicContact CE1-CG 4.48Å; F369-L380 HydrophobicContact CZ-CB 3.69Å; V376-L380 HydrophobicContact CG1-CD1 4.02Å; V376-L380 HydrophobicContact CG1-CG 4.43Å; V376-L380 VanDerWaalsContact O-CG 3.3Å; V376-L380 WeakPolarHBondContact O-CG 3.43Å; V376-L380 PolarHBondContact O-N 3.17Å; V377-L380 PolarHBondContact O-N 3.03Å; Q378-L380 VanDerWaalsContact C-N 3.33Å; Q378-L380 PolarHBondContact O-N 3.27Å; L380-S383 WeakPolarHBondContact O-CB 3.38Å; L380-S383 PolarHBondContact O-N 3.32Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 3.32Å |
| 381 | R | 94.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 173.2 | -75.7 | 171.2 | -178.6 | 168.6 | 0.4 | 111.2 | F369 V377 Q378 S383 A384 D385 E414 | F369-R381 HydrophobicContact CE1-CG 4.05Å; F369-R381 HydrophobicContact CZ-CG 4.34Å; V377-R381 HydrophobicContact CG1-CG 4.35Å; V377-R381 WeakPolarHBondContact O-CB 3.3Å; V377-R381 VanDerWaalsContact O-CG 3.25Å; V377-R381 WeakPolarHBondContact O-CG 3.48Å; V377-R381 PolarHBondContact O-N 2.68Å; Q378-R381 PolarHBondContact O-N 2.87Å; R381-S383 PolarHBondContact O-N 3.25Å; R381-A384 PolarHBondContact O-N 3.02Å; R381-D385 WeakPolarHBondContact O-CB 3.34Å; R381-D385 PolarHBondContact O-N 3.07Å; R381-E414 WeakPolarHBondContact CG-OE2 3.45Å; R381-E414 IonicContact CZ-OE1 2.87Å; R381-E414 VanDerWaalsContact CZ-OE1 3.3Å; R381-E414 IonicContact CZ-OE2 3.85Å; R381-E414 IonicContact NE-OE1 2.65Å; R381-E414 PolarHBondContact NE-OE1 3.33Å; R381-E414 VanDerWaalsContact NE-OE1 3.17Å; R381-E414 IonicContact NE-OE2 2.68Å; R381-E414 PolarHBondContact NE-OE2 2.68Å; R381-E414 IonicContact NH2-OE1 3.56Å; R381-E414 PolarHBondContact NH2-OE1 3.04Å; R381-E414 IonicContact NH2-OE2 2.69Å |
| 382 | E | 92.9 | Very high | 91 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 177.6 | -79 | -174.8 | -126.4 | 0 | 0 | 113.2 | R348 Q378 G386 | R348-E382 IonicContact CZ-OE2 3.36Å; R348-E382 IonicContact NH1-OE2 3.09Å; R348-E382 PolarHBondContact NH1-OE2 3.06Å; R348-E382 IonicContact NH2-OE2 3.48Å; R348-E382 PolarHBondContact NH2-OE2 2.93Å; Q378-E382 PolarHBondContact NE2-OE1 3.49Å; Q378-E382 PolarHBondContact O-N 2.82Å; E382-G386 PolarHBondContact O-N 2.65Å |
| 383 | S | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.8 | -47.3 | 173.2 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | A340 C365 A379 L380 R381 G386 A387 | A340-S383 PolarHBondContact O-OG 2.9Å; C365-S383 WeakPolarHBondContact SG-CB 3.34Å; A379-S383 WeakPolarHBondContact O-CB 3.24Å; A379-S383 PolarHBondContact O-N 2.96Å; A379-S383 PolarHBondContact O-OG 2.94Å; L380-S383 WeakPolarHBondContact O-CB 3.38Å; L380-S383 PolarHBondContact O-N 3.32Å; R381-S383 PolarHBondContact O-N 3.25Å; S383-G386 PolarHBondContact O-N 3.14Å; S383-A387 WeakPolarHBondContact O-CB 3.43Å; S383-A387 PolarHBondContact O-N 2.67Å |
| 384 | A | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L362 C365 F369 L380 R381 G386 A387 I388 I418 | L362-A384 HydrophobicContact CD1-CB 3.69Å; C365-A384 HydrophobicContact CB-CB 4.19Å; F369-A384 HydrophobicContact CE2-CB 4.46Å; F369-A384 HydrophobicContact CZ-CB 4.35Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 3.32Å; R381-A384 PolarHBondContact O-N 3.02Å; A384-G386 VanDerWaalsContact C-N 3.3Å; A384-G386 PolarHBondContact O-N 3.06Å; A384-A387 PolarHBondContact O-N 3.08Å; A384-I388 WeakPolarHBondContact O-CB 3.46Å; A384-I388 WeakPolarHBondContact O-CG1 3.48Å; A384-I388 PolarHBondContact O-N 3.5Å; A384-I418 HydrophobicContact CB-CD1 3.98Å; A384-I418 HydrophobicContact CB-CG1 4.48Å |
| 385 | D | 92.8 | Very high | 91.1 | Very high | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 175.8 | -78 | 33.7 | 0 | 0 | 0 | 111.6 | R381 S389 R421 | R381-D385 WeakPolarHBondContact O-CB 3.34Å; R381-D385 PolarHBondContact O-N 3.07Å; D385-S389 WeakPolarHBondContact O-CB 3.24Å; D385-S389 PolarHBondContact O-N 3.34Å; D385-S389 PolarHBondContact O-OG 3.35Å; D385-R421 VanDerWaalsContact CG-NE 3.34Å; D385-R421 IonicContact OD1-CZ 3.83Å; D385-R421 VanDerWaalsContact OD1-CZ 3.27Å; D385-R421 IonicContact OD1-NE 2.81Å; D385-R421 PolarHBondContact OD1-NE 2.94Å; D385-R421 IonicContact OD1-NH2 2.67Å; D385-R421 PolarHBondContact OD1-NH2 3.48Å; D385-R421 WeakPolarHBondContact OD2-CD 3.23Å; D385-R421 IonicContact OD2-CZ 3.34Å; D385-R421 IonicContact OD2-NE 3.48Å; D385-R421 PolarHBondContact OD2-NE 2.97Å; D385-R421 IonicContact OD2-NH2 2.67Å |
| 386 | G | 90.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -51.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | E382 S383 A384 I388 S389 S390 | E382-G386 PolarHBondContact O-N 2.65Å; S383-G386 PolarHBondContact O-N 3.14Å; A384-G386 VanDerWaalsContact C-N 3.3Å; A384-G386 PolarHBondContact O-N 3.06Å; G386-I388 PolarHBondContact O-N 3.21Å; G386-S389 PolarHBondContact O-N 3.18Å; G386-S389 PolarHBondContact O-OG 3.03Å; G386-S390 PolarHBondContact O-N 3.44Å |
| 387 | A | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F354 T361 L362 S383 A384 S389 S390 | F354-A387 HydrophobicContact CE1-CB 4.24Å; T361-A387 HydrophobicContact CG2-CB 4.15Å; L362-A387 HydrophobicContact CB-CB 4.44Å; S383-A387 WeakPolarHBondContact O-CB 3.43Å; S383-A387 PolarHBondContact O-N 2.67Å; A384-A387 PolarHBondContact O-N 3.08Å; A387-S389 VanDerWaalsContact C-N 3.31Å; A387-S389 PolarHBondContact O-N 3.21Å; A387-S390 WeakPolarHBondContact O-CB 3.09Å; A387-S390 PolarHBondContact O-N 2.96Å; A387-S390 VanDerWaalsContact O-N 3.13Å; A387-S390 PolarHBondContact O-OG 3.06Å |
| 388 | I | 91.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 177.7 | -70.6 | 166 | 0 | 0 | 0 | 111.6 | L362 A384 G386 S390 L393 F396 I400 I418 A422 | L362-I388 HydrophobicContact CD1-CD1 3.89Å; L362-I388 HydrophobicContact CD1-CG1 4.17Å; L362-I388 HydrophobicContact CD2-CD1 4.21Å; L362-I388 HydrophobicContact CD2-CG1 4.04Å; A384-I388 WeakPolarHBondContact O-CB 3.46Å; A384-I388 WeakPolarHBondContact O-CG1 3.48Å; A384-I388 PolarHBondContact O-N 3.5Å; G386-I388 PolarHBondContact O-N 3.21Å; I388-S390 PolarHBondContact O-N 3.37Å; I388-L393 HydrophobicContact CG2-CD1 4.09Å; I388-F396 HydrophobicContact CB-CD2 4.49Å; I388-F396 HydrophobicContact CB-CE2 4.26Å; I388-F396 HydrophobicContact CG1-CD2 3.93Å; I388-F396 HydrophobicContact CG1-CE2 4.04Å; I388-F396 HydrophobicContact CG1-CG 4.47Å; I388-F396 HydrophobicContact CG2-CE2 4.49Å; I388-I400 HydrophobicContact CD1-CD1 4.24Å; I388-I418 HydrophobicContact CD1-CG2 3.29Å; I388-A422 HydrophobicContact CG2-CB 4.27Å |
| 389 | S | 87 | Confident | 91.4 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.1 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 115.1 | D385 G386 A387 | D385-S389 WeakPolarHBondContact O-CB 3.24Å; D385-S389 PolarHBondContact O-N 3.34Å; D385-S389 PolarHBondContact O-OG 3.35Å; G386-S389 PolarHBondContact O-N 3.18Å; G386-S389 PolarHBondContact O-OG 3.03Å; A387-S389 VanDerWaalsContact C-N 3.31Å; A387-S389 PolarHBondContact O-N 3.21Å |
| 390 | S | 87.6 | Confident | 91.4 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.7 | -177.4 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | K351 S352 S358 G386 A387 I388 | K351-S390 WeakPolarHBondContact O-CB 3.45Å; S352-S390 WeakPolarHBondContact CA-O 3.23Å; S358-S390 WeakPolarHBondContact CB-OG 3.46Å; G386-S390 PolarHBondContact O-N 3.44Å; A387-S390 WeakPolarHBondContact O-CB 3.09Å; A387-S390 PolarHBondContact O-N 2.96Å; A387-S390 VanDerWaalsContact O-N 3.13Å; A387-S390 PolarHBondContact O-OG 3.06Å; I388-S390 PolarHBondContact O-N 3.37Å |
| 391 | T | 88.4 | Confident | 91.4 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -153.6 | 176.3 | -179.4 | -140.4 | 0 | 0 | 0 | 0 | 111.2 | S355 H395 F396 | S355-T391 WeakPolarHBondContact OG-CB 3.01Å; S355-T391 PolarHBondContact OG-OG1 3.35Å; T391-H395 HydrophobicContact CG2-CB 3.7Å; T391-F396 HydrophobicContact CG2-CE1 4.35Å; T391-F396 HydrophobicContact CG2-CE2 3.62Å; T391-F396 HydrophobicContact CG2-CZ 3.46Å; T391-F396 VanDerWaalsContact CG2-CZ 3.46Å |
| 392 | S | 85.5 | Confident | 91.3 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | trans | -70.2 | 142.6 | 178.6 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | D394 H395 | S392-D394 PolarHBondContact O-N 3.5Å; S392-H395 WeakPolarHBondContact O-CB 3.32Å; S392-H395 PolarHBondContact O-N 3.45Å; S392-H395 PolarHBondContact O-ND1 3.43Å; S392-H395 PolarHBondContact OG-CE1 3.09Å; S392-H395 PolarHBondContact OG-ND1 3.26Å | ||
| 393 | L | 87 | Confident | 91.4 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -57.8 | -22.8 | -178.5 | -172.9 | 63.7 | 0 | 0 | 0 | 113.9 | I388 H395 F396 I400 A422 F423 F439 | I388-L393 HydrophobicContact CG2-CD1 4.09Å; L393-H395 PolarHBondContact O-N 2.87Å; L393-F396 HydrophobicContact CD1-CD2 4.44Å; L393-F396 PolarHBondContact O-N 3.1Å; L393-F396 VanDerWaalsContact O-N 3.1Å; L393-I400 HydrophobicContact CD1-CD1 4.14Å; L393-A422 HydrophobicContact CD1-CB 4.28Å; L393-A422 HydrophobicContact CD2-CB 4.46Å; L393-F423 HydrophobicContact CD2-CD1 4.17Å; L393-F423 HydrophobicContact CD2-CE1 3.94Å; L393-F439 HydrophobicContact CD1-CE2 4.49Å; L393-F439 HydrophobicContact CD1-CZ 4.34Å; L393-F439 HydrophobicContact CD2-CD2 4.45Å; L393-F439 HydrophobicContact CD2-CE2 3.67Å; L393-F439 HydrophobicContact CD2-CZ 4.32Å; L393-F439 HydrophobicContact CG-CE2 3.78Å; L393-F439 HydrophobicContact CG-CZ 4.03Å |
| 394 | D | 86.9 | Confident | 91.4 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -55.3 | -34.1 | 174.4 | -157.1 | 48.1 | 0 | 0 | 0 | 112.4 | S392 F396 V397 I435 | S392-D394 PolarHBondContact O-N 3.5Å; D394-F396 PolarHBondContact O-N 2.93Å; D394-V397 WeakPolarHBondContact O-CG2 3.37Å; D394-V397 PolarHBondContact O-N 3.42Å; D394-I435 HydrophobicContact CB-CD1 3.75Å; D394-I435 WeakPolarHBondContact OD1-CD1 3.18Å; D394-I435 VanDerWaalsContact OD1-CG1 3.32Å; D394-I435 WeakPolarHBondContact OD1-CG1 3.13Å |
| 395 | H | 89.7 | Confident | 91.3 | Very high | 109 Ų | 109 | 38.6 Ų | 38.6 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -68.7 | -14.5 | 178.9 | -70.7 | 81 | 0 | 0 | 0 | 114.3 | T391 S392 L393 | T391-H395 HydrophobicContact CG2-CB 3.7Å; S392-H395 WeakPolarHBondContact O-CB 3.32Å; S392-H395 PolarHBondContact O-N 3.45Å; S392-H395 PolarHBondContact O-ND1 3.43Å; S392-H395 PolarHBondContact OG-CE1 3.09Å; S392-H395 PolarHBondContact OG-ND1 3.26Å; L393-H395 PolarHBondContact O-N 2.87Å |
| 396 | F | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -114.7 | 6.3 | -175.1 | -50.4 | -61.5 | 0 | 0 | 0 | 113.3 | Q359 L362 I388 T391 L393 D394 D398 D399 I400 | Q359-F396 HydrophobicContact CB-CE1 4.37Å; L362-F396 HydrophobicContact CB-CD1 4.5Å; L362-F396 HydrophobicContact CD2-CB 3.67Å; L362-F396 HydrophobicContact CD2-CD1 3.47Å; L362-F396 VanDerWaalsContact CD2-CD1 3.47Å; L362-F396 HydrophobicContact CD2-CD2 4.43Å; L362-F396 HydrophobicContact CD2-CE1 4.2Å; L362-F396 HydrophobicContact CD2-CG 3.6Å; I388-F396 HydrophobicContact CB-CD2 4.49Å; I388-F396 HydrophobicContact CB-CE2 4.26Å; I388-F396 HydrophobicContact CG1-CD2 3.93Å; I388-F396 HydrophobicContact CG1-CE2 4.04Å; I388-F396 HydrophobicContact CG1-CG 4.47Å; I388-F396 HydrophobicContact CG2-CE2 4.49Å; T391-F396 HydrophobicContact CG2-CE1 4.35Å; T391-F396 HydrophobicContact CG2-CE2 3.62Å; T391-F396 HydrophobicContact CG2-CZ 3.46Å; T391-F396 VanDerWaalsContact CG2-CZ 3.46Å; L393-F396 HydrophobicContact CD1-CD2 4.44Å; L393-F396 PolarHBondContact O-N 3.1Å; L393-F396 VanDerWaalsContact O-N 3.1Å; D394-F396 PolarHBondContact O-N 2.93Å; F396-D398 PolarHBondContact O-N 3.17Å; F396-D399 PolarHBondContact O-N 3.02Å; F396-I400 HydrophobicContact CB-CD1 3.72Å; F396-I400 HydrophobicContact CB-CG1 4.18Å; F396-I400 WeakPolarHBondContact O-CB 3.17Å; F396-I400 WeakPolarHBondContact O-CG1 3.11Å; F396-I400 PolarHBondContact O-N 3.36Å |
| 397 | V | 91.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.5 | -54.6 | -174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | D394 D399 I400 V401 I435 F439 | D394-V397 WeakPolarHBondContact O-CG2 3.37Å; D394-V397 PolarHBondContact O-N 3.42Å; V397-D399 PolarHBondContact O-N 3.36Å; V397-I400 PolarHBondContact O-N 2.84Å; V397-V401 HydrophobicContact CG1-CG2 4.38Å; V397-V401 VanDerWaalsContact O-CB 3.3Å; V397-V401 WeakPolarHBondContact O-CB 3.34Å; V397-V401 WeakPolarHBondContact O-CG2 3.33Å; V397-V401 PolarHBondContact O-N 2.98Å; V397-I435 HydrophobicContact CG2-CG2 4.48Å; V397-F439 HydrophobicContact CB-CE1 4.42Å; V397-F439 HydrophobicContact CB-CZ 4.21Å; V397-F439 HydrophobicContact CG1-CE1 4.43Å; V397-F439 HydrophobicContact CG2-CE1 4.32Å; V397-F439 HydrophobicContact CG2-CE2 4.08Å; V397-F439 HydrophobicContact CG2-CZ 3.67Å |
| 398 | D | 93.5 | Very high | 91.3 | Very high | 138 Ų | 138 | 49.9 Ų | 49.9 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | -176.4 | -62.7 | -28.8 | 0 | 0 | 0 | 112.4 | F396 A402 | F396-D398 PolarHBondContact O-N 3.17Å; D398-A402 WeakPolarHBondContact O-CB 3.33Å; D398-A402 PolarHBondContact O-N 2.99Å |
| 399 | D | 93.7 | Very high | 91.3 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 179 | -71.1 | -56.2 | 0 | 0 | 0 | 112.3 | Q359 Q363 L366 F396 V397 A403 | Q359-D399 VanDerWaalsContact CG-OD2 3.27Å; Q359-D399 WeakPolarHBondContact CG-OD2 3.47Å; Q359-D399 PolarHBondContact NE2-OD2 3.25Å; Q363-D399 VanDerWaalsContact CG-OD1 3.23Å; Q363-D399 WeakPolarHBondContact CG-OD1 3.49Å; Q363-D399 PolarHBondContact NE2-OD1 3.45Å; Q363-D399 PolarHBondContact NE2-OD2 2.91Å; L366-D399 HydrophobicContact CD1-CB 4.24Å; F396-D399 PolarHBondContact O-N 3.02Å; V397-D399 PolarHBondContact O-N 3.36Å; D399-A403 PolarHBondContact O-N 3Å |
| 400 | I | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.3 | -38.3 | 179.6 | -64.5 | 170 | 0 | 0 | 0 | 110.8 | L362 L366 I388 L393 F396 V397 A403 L404 L419 F439 | L362-I400 HydrophobicContact CD2-CD1 4.22Å; L362-I400 HydrophobicContact CD2-CG1 4.07Å; L366-I400 HydrophobicContact CD1-CG1 4.4Å; I388-I400 HydrophobicContact CD1-CD1 4.24Å; L393-I400 HydrophobicContact CD1-CD1 4.14Å; F396-I400 HydrophobicContact CB-CD1 3.72Å; F396-I400 HydrophobicContact CB-CG1 4.18Å; F396-I400 WeakPolarHBondContact O-CB 3.17Å; F396-I400 WeakPolarHBondContact O-CG1 3.11Å; F396-I400 PolarHBondContact O-N 3.36Å; V397-I400 PolarHBondContact O-N 2.84Å; I400-A403 WeakPolarHBondContact O-CB 3.43Å; I400-A403 PolarHBondContact O-N 3.31Å; I400-A403 VanDerWaalsContact O-N 3.14Å; I400-L404 PolarHBondContact O-N 3.3Å; I400-L419 HydrophobicContact CD1-CD2 4.24Å; I400-L419 HydrophobicContact CG2-CD1 3.79Å; I400-L419 HydrophobicContact CG2-CD2 3.88Å; I400-L419 HydrophobicContact CG2-CG 3.72Å; I400-F439 HydrophobicContact CB-CE1 4.06Å; I400-F439 HydrophobicContact CG2-CE1 4.07Å |
| 401 | V | 94.7 | Very high | 91.9 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 175 | 170.4 | 0 | 0 | 0 | 0 | 111 | V397 A403 L404 G405 F439 P442 | V397-V401 HydrophobicContact CG1-CG2 4.38Å; V397-V401 VanDerWaalsContact O-CB 3.3Å; V397-V401 WeakPolarHBondContact O-CB 3.34Å; V397-V401 WeakPolarHBondContact O-CG2 3.33Å; V397-V401 PolarHBondContact O-N 2.98Å; V401-A403 VanDerWaalsContact C-N 3.3Å; V401-A403 PolarHBondContact O-N 3.19Å; V401-L404 PolarHBondContact O-N 3.48Å; V401-G405 PolarHBondContact O-N 2.95Å; V401-F439 HydrophobicContact CG2-CD1 4.02Å; V401-F439 HydrophobicContact CG2-CE1 4.24Å; V401-P442 HydrophobicContact CG1-CB 4.41Å; V401-P442 HydrophobicContact CG1-CG 3.81Å; V401-P442 HydrophobicContact CG2-CG 4.06Å |
| 402 | A | 93.7 | Very high | 92.2 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -35.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D398 G405 H406 | D398-A402 WeakPolarHBondContact O-CB 3.33Å; D398-A402 PolarHBondContact O-N 2.99Å; A402-G405 CarbonylContact O-C 3.55Å; A402-G405 PolarHBondContact O-N 3.49Å; A402-H406 PolarHBondContact O-N 2.97Å |
| 403 | A | 94.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.8 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | L366 D399 I400 V401 G405 H406 V411 R412 A415 | L366-A403 HydrophobicContact CB-CB 4.35Å; L366-A403 HydrophobicContact CD1-CB 4.07Å; L366-A403 HydrophobicContact CD2-CB 3.82Å; L366-A403 HydrophobicContact CG-CB 4.29Å; D399-A403 PolarHBondContact O-N 3Å; I400-A403 WeakPolarHBondContact O-CB 3.43Å; I400-A403 PolarHBondContact O-N 3.31Å; I400-A403 VanDerWaalsContact O-N 3.14Å; V401-A403 VanDerWaalsContact C-N 3.3Å; V401-A403 PolarHBondContact O-N 3.19Å; A403-G405 VanDerWaalsContact C-N 3.25Å; A403-G405 PolarHBondContact O-N 2.83Å; A403-H406 VanDerWaalsContact O-CB 3.24Å; A403-H406 WeakPolarHBondContact O-CB 3.26Å; A403-H406 PolarHBondContact O-N 3.21Å; A403-H406 VanDerWaalsContact O-N 3.12Å; A403-V411 HydrophobicContact CB-CG1 4.23Å; A403-R412 WeakPolarHBondContact O-CG 3.39Å; A403-A415 HydrophobicContact CB-CB 3.81Å |
| 404 | L | 94.8 | Very high | 93 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -30.5 | 170.1 | -70.7 | 173.1 | 0 | 0 | 0 | 112.3 | I400 V401 R412 A415 A416 L419 P442 L443 T446 | I400-L404 PolarHBondContact O-N 3.3Å; V401-L404 PolarHBondContact O-N 3.48Å; L404-R412 WeakPolarHBondContact O-CD 3.37Å; L404-R412 VanDerWaalsContact O-CG 3.23Å; L404-R412 WeakPolarHBondContact O-CG 3.28Å; L404-A415 HydrophobicContact CD2-CB 3.9Å; L404-A415 HydrophobicContact CG-CB 4.15Å; L404-A416 HydrophobicContact CD2-CB 4.1Å; L404-L419 HydrophobicContact CD1-CD1 3.89Å; L404-P442 HydrophobicContact CB-CB 4.47Å; L404-P442 HydrophobicContact CD1-CB 3.86Å; L404-L443 HydrophobicContact CD1-CD2 4.09Å; L404-L443 HydrophobicContact CD1-CG 4.15Å; L404-L443 HydrophobicContact CD2-CD2 3.94Å; L404-T446 HydrophobicContact CB-CG2 4.36Å; L404-T446 HydrophobicContact CD2-CG2 4.36Å |
| 405 | G | 91.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 66% | 0.66 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115.4 | V401 A402 A403 | V401-G405 PolarHBondContact O-N 2.95Å; A402-G405 CarbonylContact O-C 3.55Å; A402-G405 PolarHBondContact O-N 3.49Å; A403-G405 VanDerWaalsContact C-N 3.25Å; A403-G405 PolarHBondContact O-N 2.83Å |
| 406 | H | 93.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | trans | -73.9 | 135.5 | -168.1 | -179 | -92.7 | 0 | 0 | 0 | 113.7 | K370 A402 A403 T408 V411 R412 | K370-H406 WeakPolarHBondContact CE-CE1 3.49Å; K370-H406 WeakPolarHBondContact CE-NE2 3.38Å; A402-H406 PolarHBondContact O-N 2.97Å; A403-H406 VanDerWaalsContact O-CB 3.24Å; A403-H406 WeakPolarHBondContact O-CB 3.26Å; A403-H406 PolarHBondContact O-N 3.21Å; A403-H406 VanDerWaalsContact O-N 3.12Å; H406-T408 PolarHBondContact CE1-OG1 2.83Å; H406-T408 VanDerWaalsContact CE1-OG1 3.25Å; H406-T408 PolarHBondContact ND1-N 2.88Å; H406-T408 PolarHBondContact O-N 3.13Å; H406-V411 HydrophobicContact CB-CB 4.28Å; H406-V411 HydrophobicContact CB-CG1 3.86Å; H406-R412 WeakPolarHBondContact O-CD 3.2Å; H406-R412 WeakPolarHBondContact O-CG 3.39Å; H406-R412 PolarHBondContact O-NE 3.01Å | ||
| 407 | K | 91.2 | Very high | 93.8 | Very high | 193 Ų | 193 | 38.5 Ų | 38.5 | 84% | 0.839 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -58.4 | -2.2 | -174.4 | 69.3 | 174.8 | -178.8 | 176.1 | 0 | 117.9 | ||
| 408 | T | 91.7 | Very high | 94 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -112.3 | 119.1 | 179 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | H406 N410 V411 R412 | H406-T408 PolarHBondContact CE1-OG1 2.83Å; H406-T408 VanDerWaalsContact CE1-OG1 3.25Å; H406-T408 PolarHBondContact ND1-N 2.88Å; H406-T408 PolarHBondContact O-N 3.13Å; T408-N410 VanDerWaalsContact C-N 3.31Å; T408-N410 HydrophobicContact CG2-CB 4.27Å; T408-N410 PolarHBondContact O-N 3.43Å; T408-V411 HydrophobicContact CG2-CG2 4.39Å; T408-V411 PolarHBondContact O-N 2.82Å; T408-V411 VanDerWaalsContact O-N 3.1Å; T408-R412 PolarHBondContact O-N 3.21Å |
| 409 | P | 91.5 | Very high | 94 | Very high | 46 Ų | 46 | 31.3 Ų | 31.3 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -49.8 | -45.5 | -178.2 | -30.3 | 35.5 | 0 | 0 | 0 | 114.5 | V411 R412 A413 D451 V454 | P409-V411 VanDerWaalsContact C-N 3.28Å; P409-V411 PolarHBondContact O-N 3.07Å; P409-R412 WeakPolarHBondContact O-CB 3.5Å; P409-R412 PolarHBondContact O-N 3.4Å; P409-A413 PolarHBondContact O-N 3.49Å; P409-D451 HydrophobicContact CB-CB 4.16Å; P409-D451 WeakPolarHBondContact CB-OD2 3.5Å; P409-V454 HydrophobicContact CB-CG2 3.82Å; P409-V454 WeakPolarHBondContact O-CG2 3.45Å |
| 410 | N | 91.7 | Very high | 94 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.6 | -38.6 | -179.3 | -151 | 86.7 | 0 | 0 | 0 | 113.3 | F369 E371 T408 E414 | F369-N410 PolarHBondContact O-ND2 2.77Å; E371-N410 PolarHBondContact O-ND2 3.19Å; T408-N410 VanDerWaalsContact C-N 3.31Å; T408-N410 HydrophobicContact CG2-CB 4.27Å; T408-N410 PolarHBondContact O-N 3.43Å; N410-E414 WeakPolarHBondContact O-CB 3.45Å; N410-E414 WeakPolarHBondContact O-CG 3.27Å; N410-E414 PolarHBondContact O-N 2.88Å |
| 411 | V | 95.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | F369 K370 A403 H406 T408 P409 A415 | F369-V411 HydrophobicContact CB-CG2 4.24Å; K370-V411 HydrophobicContact CG-CG2 3.67Å; A403-V411 HydrophobicContact CB-CG1 4.23Å; H406-V411 HydrophobicContact CB-CB 4.28Å; H406-V411 HydrophobicContact CB-CG1 3.86Å; T408-V411 HydrophobicContact CG2-CG2 4.39Å; T408-V411 PolarHBondContact O-N 2.82Å; T408-V411 VanDerWaalsContact O-N 3.1Å; P409-V411 VanDerWaalsContact C-N 3.28Å; P409-V411 PolarHBondContact O-N 3.07Å; V411-A415 VanDerWaalsContact O-CB 3.26Å; V411-A415 WeakPolarHBondContact O-CB 3.23Å; V411-A415 PolarHBondContact O-N 2.98Å |
| 412 | R | 95.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.4 | -39.6 | 178.7 | -59.2 | -176.9 | -70.1 | 167.8 | 15.2 | 111.8 | A403 L404 H406 T408 P409 A415 A416 D449 V454 | A403-R412 WeakPolarHBondContact O-CG 3.39Å; L404-R412 WeakPolarHBondContact O-CD 3.37Å; L404-R412 VanDerWaalsContact O-CG 3.23Å; L404-R412 WeakPolarHBondContact O-CG 3.28Å; H406-R412 WeakPolarHBondContact O-CD 3.2Å; H406-R412 WeakPolarHBondContact O-CG 3.39Å; H406-R412 PolarHBondContact O-NE 3.01Å; T408-R412 PolarHBondContact O-N 3.21Å; P409-R412 WeakPolarHBondContact O-CB 3.5Å; P409-R412 PolarHBondContact O-N 3.4Å; R412-A415 PolarHBondContact O-N 3.35Å; R412-A416 WeakPolarHBondContact O-CB 3.35Å; R412-A416 PolarHBondContact O-N 3.01Å; R412-D449 IonicContact CZ-OD1 2.71Å; R412-D449 IonicContact CZ-OD2 2.71Å; R412-D449 IonicContact NH1-OD2 3.98Å; R412-D449 PolarHBondContact NH1-OD2 2.86Å; R412-D449 IonicContact NH2-OD1 2.78Å; R412-D449 PolarHBondContact NH2-OD1 3.15Å; R412-D449 IonicContact NH2-OD2 3.21Å; R412-D449 PolarHBondContact NH2-OD2 2.82Å; R412-V454 HydrophobicContact CB-CG1 4.07Å; R412-V454 HydrophobicContact CB-CG2 4.33Å |
| 413 | A | 94.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -50.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | P409 A415 A416 L417 E453 V454 C457 | P409-A413 PolarHBondContact O-N 3.49Å; A413-A415 PolarHBondContact O-N 2.91Å; A413-A416 PolarHBondContact O-N 3.48Å; A413-L417 WeakPolarHBondContact O-CG 3.28Å; A413-L417 PolarHBondContact O-N 3Å; A413-E453 HydrophobicContact CB-CG 4.33Å; A413-V454 HydrophobicContact CB-CG2 4.21Å; A413-C457 HydrophobicContact CB-CB 4.37Å |
| 414 | E | 94.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 176.4 | -72 | -62.4 | 152.9 | 0 | 0 | 113 | F369 V377 R381 N410 A416 L417 I418 | F369-E414 HydrophobicContact CB-CB 3.98Å; F369-E414 HydrophobicContact CB-CG 4.05Å; F369-E414 HydrophobicContact CD1-CB 3.93Å; F369-E414 HydrophobicContact CD1-CG 3.66Å; F369-E414 HydrophobicContact CD2-CB 3.94Å; F369-E414 HydrophobicContact CE1-CB 4.39Å; F369-E414 HydrophobicContact CE1-CG 4.22Å; F369-E414 HydrophobicContact CE2-CB 4.46Å; F369-E414 HydrophobicContact CG-CB 3.7Å; F369-E414 HydrophobicContact CG-CG 3.86Å; V377-E414 HydrophobicContact CG1-CG 4.41Å; V377-E414 WeakPolarHBondContact CG1-OE1 3.4Å; R381-E414 WeakPolarHBondContact CG-OE2 3.45Å; R381-E414 IonicContact CZ-OE1 2.87Å; R381-E414 VanDerWaalsContact CZ-OE1 3.3Å; R381-E414 IonicContact CZ-OE2 3.85Å; R381-E414 IonicContact NE-OE1 2.65Å; R381-E414 PolarHBondContact NE-OE1 3.33Å; R381-E414 VanDerWaalsContact NE-OE1 3.17Å; R381-E414 IonicContact NE-OE2 2.68Å; R381-E414 PolarHBondContact NE-OE2 2.68Å; R381-E414 IonicContact NH2-OE1 3.56Å; R381-E414 PolarHBondContact NH2-OE1 3.04Å; R381-E414 IonicContact NH2-OE2 2.69Å; N410-E414 WeakPolarHBondContact O-CB 3.45Å; N410-E414 WeakPolarHBondContact O-CG 3.27Å; N410-E414 PolarHBondContact O-N 2.88Å; E414-A416 VanDerWaalsContact C-N 3.34Å; E414-A416 PolarHBondContact O-N 3.19Å; E414-L417 PolarHBondContact O-N 3.24Å; E414-I418 WeakPolarHBondContact O-CB 3.5Å; E414-I418 WeakPolarHBondContact O-CD1 3.48Å; E414-I418 WeakPolarHBondContact O-CG1 3.38Å; E414-I418 PolarHBondContact O-N 3.32Å |
| 415 | A | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A403 L404 V411 R412 A413 I418 L419 | A403-A415 HydrophobicContact CB-CB 3.81Å; L404-A415 HydrophobicContact CD2-CB 3.9Å; L404-A415 HydrophobicContact CG-CB 4.15Å; V411-A415 VanDerWaalsContact O-CB 3.26Å; V411-A415 WeakPolarHBondContact O-CB 3.23Å; V411-A415 PolarHBondContact O-N 2.98Å; R412-A415 PolarHBondContact O-N 3.35Å; A413-A415 PolarHBondContact O-N 2.91Å; A415-I418 PolarHBondContact O-N 3.03Å; A415-L419 PolarHBondContact O-N 2.85Å |
| 416 | A | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L404 R412 A413 E414 I418 L419 S420 L443 C457 A461 | L404-A416 HydrophobicContact CD2-CB 4.1Å; R412-A416 WeakPolarHBondContact O-CB 3.35Å; R412-A416 PolarHBondContact O-N 3.01Å; A413-A416 PolarHBondContact O-N 3.48Å; E414-A416 VanDerWaalsContact C-N 3.34Å; E414-A416 PolarHBondContact O-N 3.19Å; A416-I418 VanDerWaalsContact C-N 3.35Å; A416-I418 PolarHBondContact O-N 3.31Å; A416-L419 PolarHBondContact O-N 3.46Å; A416-S420 PolarHBondContact O-N 3.46Å; A416-L443 HydrophobicContact CB-CD2 4.02Å; A416-C457 HydrophobicContact CB-CB 3.9Å; A416-A461 HydrophobicContact CB-CB 4.41Å; A416-A461 WeakPolarHBondContact O-CB 3.44Å |
| 417 | L | 94.5 | Very high | 91.5 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 23% | 0.225 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 174.6 | -70 | 176.8 | 0 | 0 | 0 | 112.6 | A413 E414 S420 R421 C457 | A413-L417 WeakPolarHBondContact O-CG 3.28Å; A413-L417 PolarHBondContact O-N 3Å; E414-L417 PolarHBondContact O-N 3.24Å; L417-S420 PolarHBondContact O-N 3.15Å; L417-R421 WeakPolarHBondContact O-CG 3.32Å; L417-R421 PolarHBondContact O-N 3.41Å; L417-R421 PolarHBondContact O-NH1 3.29Å; L417-C457 HydrophobicContact CD2-CB 4.03Å; L417-C457 HydrophobicContact CG-CB 3.91Å; L417-C457 VanDerWaalsContact CG-SG 3.55Å |
| 418 | I | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 171.7 | -76.2 | 163.6 | 0 | 0 | 0 | 109.9 | L366 F369 A384 I388 E414 A415 A416 S420 R421 A422 | L366-I418 HydrophobicContact CD2-CD1 4.05Å; F369-I418 HydrophobicContact CD2-CD1 4.31Å; F369-I418 HydrophobicContact CE2-CD1 3.5Å; F369-I418 HydrophobicContact CZ-CD1 3.95Å; A384-I418 HydrophobicContact CB-CD1 3.98Å; A384-I418 HydrophobicContact CB-CG1 4.48Å; I388-I418 HydrophobicContact CD1-CG2 3.29Å; E414-I418 WeakPolarHBondContact O-CB 3.5Å; E414-I418 WeakPolarHBondContact O-CD1 3.48Å; E414-I418 WeakPolarHBondContact O-CG1 3.38Å; E414-I418 PolarHBondContact O-N 3.32Å; A415-I418 PolarHBondContact O-N 3.03Å; A416-I418 VanDerWaalsContact C-N 3.35Å; A416-I418 PolarHBondContact O-N 3.31Å; I418-S420 PolarHBondContact O-N 2.97Å; I418-R421 VanDerWaalsContact CG1-NH2 3.27Å; I418-R421 PolarHBondContact O-N 3.38Å; I418-A422 VanDerWaalsContact O-CB 3.32Å; I418-A422 WeakPolarHBondContact O-CB 3.39Å; I418-A422 PolarHBondContact O-N 3.1Å |
| 419 | L | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.2 | -75 | 178.5 | 0 | 0 | 0 | 112.5 | I400 L404 A415 A416 R421 A422 F423 F439 L443 A461 | I400-L419 HydrophobicContact CD1-CD2 4.24Å; I400-L419 HydrophobicContact CG2-CD1 3.79Å; I400-L419 HydrophobicContact CG2-CD2 3.88Å; I400-L419 HydrophobicContact CG2-CG 3.72Å; L404-L419 HydrophobicContact CD1-CD1 3.89Å; A415-L419 PolarHBondContact O-N 2.85Å; A416-L419 PolarHBondContact O-N 3.46Å; L419-R421 VanDerWaalsContact C-N 3.35Å; L419-R421 PolarHBondContact O-N 2.94Å; L419-A422 PolarHBondContact O-N 3.13Å; L419-F423 HydrophobicContact CB-CD2 4.32Å; L419-F423 HydrophobicContact CB-CE2 3.84Å; L419-F423 HydrophobicContact CB-CZ 4.02Å; L419-F423 HydrophobicContact CD1-CZ 4.31Å; L419-F423 HydrophobicContact CD2-CE1 4.01Å; L419-F423 HydrophobicContact CD2-CZ 3.83Å; L419-F423 HydrophobicContact CG-CZ 4.28Å; L419-F423 WeakPolarHBondContact O-CB 3.35Å; L419-F423 WeakPolarHBondContact O-CD2 3.3Å; L419-F423 WeakPolarHBondContact O-CG 3.41Å; L419-F423 PolarHBondContact O-N 3.06Å; L419-F439 HydrophobicContact CD1-CB 4.22Å; L419-F439 HydrophobicContact CD1-CD1 3.79Å; L419-F439 HydrophobicContact CD1-CE1 4.42Å; L419-F439 HydrophobicContact CD1-CG 4.11Å; L419-F439 HydrophobicContact CD2-CD1 3.86Å; L419-F439 HydrophobicContact CD2-CD2 4.17Å; L419-F439 HydrophobicContact CD2-CE1 3.83Å; L419-F439 HydrophobicContact CD2-CE2 4.13Å; L419-F439 HydrophobicContact CD2-CG 4.03Å; L419-F439 HydrophobicContact CD2-CZ 3.96Å; L419-F439 HydrophobicContact CG-CD1 4.49Å; L419-L443 HydrophobicContact CD1-CD1 4Å; L419-L443 HydrophobicContact CD1-CD2 4.33Å; L419-L443 HydrophobicContact CD1-CG 4.28Å; L419-A461 HydrophobicContact CB-CB 4.33Å |
| 420 | S | 93.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 174.4 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | A416 L417 I418 K424 A460 | A416-S420 PolarHBondContact O-N 3.46Å; L417-S420 PolarHBondContact O-N 3.15Å; I418-S420 PolarHBondContact O-N 2.97Å; S420-K424 VanDerWaalsContact O-CG 3.3Å; S420-K424 WeakPolarHBondContact O-CG 3.42Å; S420-K424 PolarHBondContact O-N 3.1Å; S420-K424 VanDerWaalsContact O-N 3.12Å; S420-A460 WeakPolarHBondContact CB-O 3.42Å; S420-A460 PolarHBondContact OG-O 3.49Å |
| 421 | R | 93.2 | Very high | 89 | Confident | 59 Ų | 59 | 35.3 Ų | 35.3 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.1 | -32.3 | 176.9 | -66.5 | -169.6 | -51.5 | -86 | 3.6 | 113.6 | D385 L417 I418 L419 | D385-R421 VanDerWaalsContact CG-NE 3.34Å; D385-R421 IonicContact OD1-CZ 3.83Å; D385-R421 VanDerWaalsContact OD1-CZ 3.27Å; D385-R421 IonicContact OD1-NE 2.81Å; D385-R421 PolarHBondContact OD1-NE 2.94Å; D385-R421 IonicContact OD1-NH2 2.67Å; D385-R421 PolarHBondContact OD1-NH2 3.48Å; D385-R421 WeakPolarHBondContact OD2-CD 3.23Å; D385-R421 IonicContact OD2-CZ 3.34Å; D385-R421 IonicContact OD2-NE 3.48Å; D385-R421 PolarHBondContact OD2-NE 2.97Å; D385-R421 IonicContact OD2-NH2 2.67Å; L417-R421 WeakPolarHBondContact O-CG 3.32Å; L417-R421 PolarHBondContact O-N 3.41Å; L417-R421 PolarHBondContact O-NH1 3.29Å; I418-R421 VanDerWaalsContact CG1-NH2 3.27Å; I418-R421 PolarHBondContact O-N 3.38Å; L419-R421 VanDerWaalsContact C-N 3.35Å; L419-R421 PolarHBondContact O-N 2.94Å |
| 422 | A | 89.6 | Confident | 88.5 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.4 | -49.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I388 L393 I418 L419 K424 K425 C426 | I388-A422 HydrophobicContact CG2-CB 4.27Å; L393-A422 HydrophobicContact CD1-CB 4.28Å; L393-A422 HydrophobicContact CD2-CB 4.46Å; I418-A422 VanDerWaalsContact O-CB 3.32Å; I418-A422 WeakPolarHBondContact O-CB 3.39Å; I418-A422 PolarHBondContact O-N 3.1Å; L419-A422 PolarHBondContact O-N 3.13Å; A422-K424 VanDerWaalsContact C-N 3.34Å; A422-K424 PolarHBondContact O-N 3.34Å; A422-K425 WeakPolarHBondContact O-CA 3.13Å; A422-K425 WeakPolarHBondContact O-CB 3.47Å; A422-K425 PolarHBondContact O-N 2.9Å; A422-C426 PolarHBondContact O-N 2.94Å; A422-C426 PolarHBondContact O-SG 3.04Å; A422-C426 VanDerWaalsContact O-SG 3.34Å |
| 423 | F | 91.8 | Very high | 88 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.9 | -62 | -28.1 | 0 | 0 | 0 | 111.7 | L393 L419 K425 C426 L431 F439 L443 A461 A464 A465 V468 | L393-F423 HydrophobicContact CD2-CD1 4.17Å; L393-F423 HydrophobicContact CD2-CE1 3.94Å; L419-F423 HydrophobicContact CB-CD2 4.32Å; L419-F423 HydrophobicContact CB-CE2 3.84Å; L419-F423 HydrophobicContact CB-CZ 4.02Å; L419-F423 HydrophobicContact CD1-CZ 4.31Å; L419-F423 HydrophobicContact CD2-CE1 4.01Å; L419-F423 HydrophobicContact CD2-CZ 3.83Å; L419-F423 HydrophobicContact CG-CZ 4.28Å; L419-F423 WeakPolarHBondContact O-CB 3.35Å; L419-F423 WeakPolarHBondContact O-CD2 3.3Å; L419-F423 WeakPolarHBondContact O-CG 3.41Å; L419-F423 PolarHBondContact O-N 3.06Å; F423-K425 PolarHBondContact O-N 3.03Å; F423-C426 PolarHBondContact O-N 3.06Å; F423-L431 HydrophobicContact CD1-CD1 3.83Å; F423-L431 HydrophobicContact CD1-CD2 3.76Å; F423-L431 HydrophobicContact CD1-CG 4.46Å; F423-L431 HydrophobicContact CE1-CD1 3.56Å; F423-L431 HydrophobicContact CE1-CD2 4.13Å; F423-L431 HydrophobicContact CG-CD2 4.16Å; F423-L431 HydrophobicContact CZ-CD1 4.45Å; F423-F439 AromaticContact CE1-CD2 3.83Å; F423-F439 HydrophobicContact CE1-CD2 3.83Å; F423-F439 HydrophobicContact CE1-CE2 4.37Å; F423-F439 HydrophobicContact CE1-CG 4.46Å; F423-F439 HydrophobicContact CZ-CB 3.85Å; F423-F439 AromaticContact CZ-CD2 3.88Å; F423-F439 HydrophobicContact CZ-CD2 3.88Å; F423-F439 HydrophobicContact CZ-CG 4.06Å; F423-L443 HydrophobicContact CE2-CD1 4.11Å; F423-A461 WeakPolarHBondContact CD2-O 3.48Å; F423-A464 HydrophobicContact CB-CB 3.93Å; F423-A464 HydrophobicContact CD2-CB 4.42Å; F423-A465 HydrophobicContact CD2-CB 3.74Å; F423-A465 HydrophobicContact CE2-CB 3.9Å; F423-A465 HydrophobicContact CG-CB 4.33Å; F423-V468 VanDerWaalsContact O-CG2 3.31Å; F423-V468 WeakPolarHBondContact O-CG2 3.41Å |
| 424 | K | 85.8 | Confident | 87.6 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -12.4 | 172.3 | -75.7 | -179.9 | -171.7 | -169.3 | 0 | 114.7 | S420 A422 A464 I496 E499 | S420-K424 VanDerWaalsContact O-CG 3.3Å; S420-K424 WeakPolarHBondContact O-CG 3.42Å; S420-K424 PolarHBondContact O-N 3.1Å; S420-K424 VanDerWaalsContact O-N 3.12Å; A422-K424 VanDerWaalsContact C-N 3.34Å; A422-K424 PolarHBondContact O-N 3.34Å; K424-A464 HydrophobicContact CG-CB 4.21Å; K424-I496 VanDerWaalsContact CE-CD1 3.48Å; K424-I496 VanDerWaalsContact CE-CG1 3.49Å; K424-I496 HydrophobicContact CG-CG2 4.36Å; K424-E499 IonicContact NZ-OE1 3.61Å; K424-E499 IonicContact NZ-OE2 3.53Å; K424-E499 PolarHBondContact NZ-OE2 2.8Å |
| 425 | K | 81.8 | Confident | 87.4 | Confident | 146 Ų | 146 | 50.8 Ų | 50.8 | 64% | 0.635 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -4.1 | 175.9 | -61 | 173.6 | -176.7 | 170.6 | 0 | 113.8 | A422 F423 | A422-K425 WeakPolarHBondContact O-CA 3.13Å; A422-K425 WeakPolarHBondContact O-CB 3.47Å; A422-K425 PolarHBondContact O-N 2.9Å; F423-K425 PolarHBondContact O-N 3.03Å |
| 426 | C | 82.2 | Confident | 87.2 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | trans | -85.5 | 145.8 | 179.8 | -70.4 | 0 | 0 | 0 | 0 | 112 | A422 F423 L431 V468 | A422-C426 PolarHBondContact O-N 2.94Å; A422-C426 PolarHBondContact O-SG 3.04Å; A422-C426 VanDerWaalsContact O-SG 3.34Å; F423-C426 PolarHBondContact O-N 3.06Å; C426-L431 HydrophobicContact CB-CB 4.27Å; C426-V468 WeakPolarHBondContact O-CG1 3.41Å | ||
| 427 | S | 81.7 | Confident | 86.9 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | trans | -82.4 | 168.1 | 161.8 | 75.4 | 0 | 0 | 0 | 0 | 111.3 | T429 S430 L431 | S427-T429 PolarHBondContact O-N 3.49Å; S427-T429 PolarHBondContact OG-N 3.41Å; S427-T429 PolarHBondContact OG-OG1 3.41Å; S427-S430 PolarHBondContact O-N 3.02Å; S427-S430 VanDerWaalsContact O-N 3.13Å; S427-S430 PolarHBondContact OG-N 3.06Å; S427-S430 PolarHBondContact OG-OG 3.13Å; S427-S430 VanDerWaalsContact OG-OG 3.12Å; S427-L431 PolarHBondContact O-N 2.9Å | ||
| 428 | T | 78.9 | Confident | 86.9 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.1 | 167.3 | 45.3 | 0 | 0 | 0 | 0 | 113 | V468 | T428-V468 WeakPolarHBondContact CG2-O 3.23Š|
| 429 | T | 75.8 | Confident | 86.9 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 72% | 0.718 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -39.1 | 174.2 | 11.7 | 0 | 0 | 0 | 0 | 112.5 | S427 | S427-T429 PolarHBondContact O-N 3.49Å; S427-T429 PolarHBondContact OG-N 3.41Å; S427-T429 PolarHBondContact OG-OG1 3.41Å |
| 430 | S | 76 | Confident | 86.8 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -44.7 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | S427 N432 | S427-S430 PolarHBondContact O-N 3.02Å; S427-S430 VanDerWaalsContact O-N 3.13Å; S427-S430 PolarHBondContact OG-N 3.06Å; S427-S430 PolarHBondContact OG-OG 3.13Å; S427-S430 VanDerWaalsContact OG-OG 3.12Å; S430-N432 VanDerWaalsContact C-N 3.27Å; S430-N432 PolarHBondContact O-N 3.01Å; S430-N432 VanDerWaalsContact O-N 3.15Å |
| 431 | L | 83.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 55.3 | -178.5 | -164.1 | 58.5 | 0 | 0 | 0 | 111.6 | F423 C426 S427 I435 L436 A465 V468 V469 | F423-L431 HydrophobicContact CD1-CD1 3.83Å; F423-L431 HydrophobicContact CD1-CD2 3.76Å; F423-L431 HydrophobicContact CD1-CG 4.46Å; F423-L431 HydrophobicContact CE1-CD1 3.56Å; F423-L431 HydrophobicContact CE1-CD2 4.13Å; F423-L431 HydrophobicContact CG-CD2 4.16Å; F423-L431 HydrophobicContact CZ-CD1 4.45Å; C426-L431 HydrophobicContact CB-CB 4.27Å; S427-L431 PolarHBondContact O-N 2.9Å; L431-I435 HydrophobicContact CD1-CG2 4.04Å; L431-L436 HydrophobicContact CD2-CD1 4.11Å; L431-L436 HydrophobicContact CG-CB 4.36Å; L431-L436 HydrophobicContact CG-CD1 4.13Å; L431-A465 HydrophobicContact CD2-CB 4.18Å; L431-V468 HydrophobicContact CD2-CG1 4.46Å; L431-V469 HydrophobicContact CB-CG1 4.16Å; L431-V469 HydrophobicContact CD2-CG1 4.1Å; L431-V469 HydrophobicContact CG-CG1 4.17Å |
| 432 | N | 85.2 | Confident | 86.7 | Confident | 67 Ų | 67 | 57.7 Ų | 57.7 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | trans | -61.7 | 162.6 | -178.4 | 73.9 | 62.1 | 0 | 0 | 0 | 112.8 | S430 K434 I435 L436 | S430-N432 VanDerWaalsContact C-N 3.27Å; S430-N432 PolarHBondContact O-N 3.01Å; S430-N432 VanDerWaalsContact O-N 3.15Å; N432-K434 PolarHBondContact O-N 3.25Å; N432-K434 WeakPolarHBondContact OD1-CB 3.02Å; N432-K434 PolarHBondContact OD1-N 3.21Å; N432-I435 VanDerWaalsContact ND2-CD1 3.33Å; N432-I435 WeakPolarHBondContact ND2-CD1 3.46Å; N432-I435 PolarHBondContact O-N 3.08Å; N432-I435 VanDerWaalsContact O-N 3.15Å; N432-I435 PolarHBondContact OD1-N 2.86Å; N432-L436 VanDerWaalsContact O-CB 3.27Å; N432-L436 WeakPolarHBondContact O-CB 3.38Å; N432-L436 PolarHBondContact O-N 3.33Å | ||
| 433 | K | 84.7 | Confident | 87 | Confident | 153 Ų | 153 | 57.1 Ų | 57.1 | 67% | 0.665 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -54.2 | -29.2 | -175.2 | -73.2 | -175 | 176.9 | 179.5 | 0 | 115.3 | K437 T473 | K433-K437 WeakPolarHBondContact O-CB 3.3Å; K433-K437 PolarHBondContact O-N 2.91Å; K433-T473 HydrophobicContact CG-CG2 4.48Å |
| 434 | K | 87.5 | Confident | 87 | Confident | 148 Ų | 148 | 57.2 Ų | 57.2 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71.8 | -55.9 | 176.9 | -175.1 | -165.1 | 174.5 | -158.1 | 0 | 109.9 | N432 L436 K437 S438 | N432-K434 PolarHBondContact O-N 3.25Å; N432-K434 WeakPolarHBondContact OD1-CB 3.02Å; N432-K434 PolarHBondContact OD1-N 3.21Å; K434-L436 VanDerWaalsContact C-N 3.34Å; K434-L436 PolarHBondContact O-N 2.74Å; K434-K437 PolarHBondContact O-N 3.44Å; K434-S438 PolarHBondContact O-N 3.48Å; K434-S438 PolarHBondContact O-OG 3.45Å |
| 435 | I | 89.7 | Confident | 87.3 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | -179.8 | -59.9 | 177.9 | 0 | 0 | 0 | 110.7 | D394 V397 L431 N432 K437 S438 F439 | D394-I435 HydrophobicContact CB-CD1 3.75Å; D394-I435 WeakPolarHBondContact OD1-CD1 3.18Å; D394-I435 VanDerWaalsContact OD1-CG1 3.32Å; D394-I435 WeakPolarHBondContact OD1-CG1 3.13Å; V397-I435 HydrophobicContact CG2-CG2 4.48Å; L431-I435 HydrophobicContact CD1-CG2 4.04Å; N432-I435 VanDerWaalsContact ND2-CD1 3.33Å; N432-I435 WeakPolarHBondContact ND2-CD1 3.46Å; N432-I435 PolarHBondContact O-N 3.08Å; N432-I435 VanDerWaalsContact O-N 3.15Å; N432-I435 PolarHBondContact OD1-N 2.86Å; I435-K437 PolarHBondContact O-N 3.31Å; I435-S438 PolarHBondContact O-N 3.38Å; I435-F439 HydrophobicContact CG2-CD2 3.78Å; I435-F439 HydrophobicContact CG2-CE2 3.49Å; I435-F439 VanDerWaalsContact CG2-CE2 3.49Å; I435-F439 WeakPolarHBondContact O-CD2 3.38Å; I435-F439 PolarHBondContact O-N 2.93Å; I435-F439 VanDerWaalsContact O-N 3.12Å |
| 436 | L | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 174.8 | 179.9 | 67.1 | 0 | 0 | 0 | 111.5 | L431 N432 K434 F439 T440 A465 V469 T473 I474 F477 | L431-L436 HydrophobicContact CD2-CD1 4.11Å; L431-L436 HydrophobicContact CG-CB 4.36Å; L431-L436 HydrophobicContact CG-CD1 4.13Å; N432-L436 VanDerWaalsContact O-CB 3.27Å; N432-L436 WeakPolarHBondContact O-CB 3.38Å; N432-L436 PolarHBondContact O-N 3.33Å; K434-L436 VanDerWaalsContact C-N 3.34Å; K434-L436 PolarHBondContact O-N 2.74Å; L436-F439 PolarHBondContact O-N 3.41Å; L436-T440 WeakPolarHBondContact O-CB 3.41Å; L436-T440 PolarHBondContact O-N 2.91Å; L436-T440 PolarHBondContact O-OG1 3.12Å; L436-A465 HydrophobicContact CD1-CB 4.22Å; L436-V469 HydrophobicContact CD1-CG2 4.09Å; L436-V469 HydrophobicContact CD2-CB 4.41Å; L436-V469 HydrophobicContact CD2-CG1 4.33Å; L436-V469 HydrophobicContact CD2-CG2 3.78Å; L436-T473 HydrophobicContact CD2-CG2 3.99Å; L436-I474 HydrophobicContact CD1-CD1 4.16Å; L436-I474 HydrophobicContact CD1-CG1 4.22Å; L436-F477 HydrophobicContact CD2-CD2 4.16Å; L436-F477 HydrophobicContact CD2-CE2 3.86Å; L436-F477 HydrophobicContact CG-CD2 4.26Å; L436-F477 HydrophobicContact CG-CE2 4.22Å |
| 437 | K | 91.6 | Very high | 88.2 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 52% | 0.522 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.6 | -174.4 | -179 | 178.9 | -176.8 | 0 | 111.5 | K433 K434 I435 F439 T440 V441 F477 | K433-K437 WeakPolarHBondContact O-CB 3.3Å; K433-K437 PolarHBondContact O-N 2.91Å; K434-K437 PolarHBondContact O-N 3.44Å; I435-K437 PolarHBondContact O-N 3.31Å; K437-F439 VanDerWaalsContact C-N 3.27Å; K437-F439 PolarHBondContact O-N 2.93Å; K437-T440 PolarHBondContact O-N 3.14Å; K437-V441 HydrophobicContact CG-CG2 4.23Å; K437-V441 PolarHBondContact O-N 3.05Å; K437-F477 HydrophobicContact CB-CD1 4.27Å; K437-F477 HydrophobicContact CB-CE1 3.94Å; K437-F477 HydrophobicContact CB-CZ 4.13Å; K437-F477 HydrophobicContact CD-CD1 4.42Å; K437-F477 HydrophobicContact CD-CE1 3.99Å; K437-F477 HydrophobicContact CG-CD1 3.97Å; K437-F477 HydrophobicContact CG-CE1 3.87Å |
| 438 | S | 93.3 | Very high | 88.5 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -33.4 | -179 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | K434 I435 P442 | K434-S438 PolarHBondContact O-N 3.48Å; K434-S438 PolarHBondContact O-OG 3.45Å; I435-S438 PolarHBondContact O-N 3.38Å; S438-P442 WeakPolarHBondContact O-CD 3.06Å; S438-P442 VanDerWaalsContact O-CG 3.32Å; S438-P442 WeakPolarHBondContact O-CG 3.45Å |
| 439 | F | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -91.1 | -36.6 | 173.9 | -65.3 | -53.8 | 0 | 0 | 0 | 113.9 | L393 V397 I400 V401 L419 F423 I435 L436 K437 V441 P442 L443 | L393-F439 HydrophobicContact CD1-CE2 4.49Å; L393-F439 HydrophobicContact CD1-CZ 4.34Å; L393-F439 HydrophobicContact CD2-CD2 4.45Å; L393-F439 HydrophobicContact CD2-CE2 3.67Å; L393-F439 HydrophobicContact CD2-CZ 4.32Å; L393-F439 HydrophobicContact CG-CE2 3.78Å; L393-F439 HydrophobicContact CG-CZ 4.03Å; V397-F439 HydrophobicContact CB-CE1 4.42Å; V397-F439 HydrophobicContact CB-CZ 4.21Å; V397-F439 HydrophobicContact CG1-CE1 4.43Å; V397-F439 HydrophobicContact CG2-CE1 4.32Å; V397-F439 HydrophobicContact CG2-CE2 4.08Å; V397-F439 HydrophobicContact CG2-CZ 3.67Å; I400-F439 HydrophobicContact CB-CE1 4.06Å; I400-F439 HydrophobicContact CG2-CE1 4.07Å; V401-F439 HydrophobicContact CG2-CD1 4.02Å; V401-F439 HydrophobicContact CG2-CE1 4.24Å; L419-F439 HydrophobicContact CD1-CB 4.22Å; L419-F439 HydrophobicContact CD1-CD1 3.79Å; L419-F439 HydrophobicContact CD1-CE1 4.42Å; L419-F439 HydrophobicContact CD1-CG 4.11Å; L419-F439 HydrophobicContact CD2-CD1 3.86Å; L419-F439 HydrophobicContact CD2-CD2 4.17Å; L419-F439 HydrophobicContact CD2-CE1 3.83Å; L419-F439 HydrophobicContact CD2-CE2 4.13Å; L419-F439 HydrophobicContact CD2-CG 4.03Å; L419-F439 HydrophobicContact CD2-CZ 3.96Å; L419-F439 HydrophobicContact CG-CD1 4.49Å; F423-F439 AromaticContact CE1-CD2 3.83Å; F423-F439 HydrophobicContact CE1-CD2 3.83Å; F423-F439 HydrophobicContact CE1-CE2 4.37Å; F423-F439 HydrophobicContact CE1-CG 4.46Å; F423-F439 HydrophobicContact CZ-CB 3.85Å; F423-F439 AromaticContact CZ-CD2 3.88Å; F423-F439 HydrophobicContact CZ-CD2 3.88Å; F423-F439 HydrophobicContact CZ-CG 4.06Å; I435-F439 HydrophobicContact CG2-CD2 3.78Å; I435-F439 HydrophobicContact CG2-CE2 3.49Å; I435-F439 VanDerWaalsContact CG2-CE2 3.49Å; I435-F439 WeakPolarHBondContact O-CD2 3.38Å; I435-F439 PolarHBondContact O-N 2.93Å; I435-F439 VanDerWaalsContact O-N 3.12Å; L436-F439 PolarHBondContact O-N 3.41Å; K437-F439 VanDerWaalsContact C-N 3.27Å; K437-F439 PolarHBondContact O-N 2.93Å; F439-V441 PolarHBondContact O-N 3.24Å; F439-P442 WeakPolarHBondContact O-CD 3.45Å; F439-L443 WeakPolarHBondContact O-CB 3.49Å; F439-L443 VanDerWaalsContact O-CG 3.29Å; F439-L443 WeakPolarHBondContact O-CG 3.34Å; F439-L443 PolarHBondContact O-N 3.42Å |
| 440 | T | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | -174.5 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | L436 K437 L443 C444 L462 I474 F477 L478 | L436-T440 WeakPolarHBondContact O-CB 3.41Å; L436-T440 PolarHBondContact O-N 2.91Å; L436-T440 PolarHBondContact O-OG1 3.12Å; K437-T440 PolarHBondContact O-N 3.14Å; T440-L443 PolarHBondContact O-N 3.49Å; T440-C444 PolarHBondContact O-N 2.99Å; T440-C444 PolarHBondContact O-SG 3.08Å; T440-L462 HydrophobicContact CG2-CD2 3.84Å; T440-I474 HydrophobicContact CG2-CD1 4.38Å; T440-I474 HydrophobicContact CG2-CG1 4.14Å; T440-F477 HydrophobicContact CG2-CB 3.53Å; T440-L478 HydrophobicContact CG2-CD2 3.63Å |
| 441 | V | 91.4 | Very high | 90.5 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 38% | 0.376 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -50.9 | -179.5 | 173 | 0 | 0 | 0 | 0 | 111.9 | K437 F439 L443 C444 V445 | K437-V441 HydrophobicContact CG-CG2 4.23Å; K437-V441 PolarHBondContact O-N 3.05Å; F439-V441 PolarHBondContact O-N 3.24Å; V441-L443 VanDerWaalsContact C-N 3.32Å; V441-L443 PolarHBondContact O-N 3.38Å; V441-C444 WeakPolarHBondContact O-CB 3.16Å; V441-C444 PolarHBondContact O-N 3.37Å; V441-V445 PolarHBondContact O-N 3.47Å |
| 442 | P | 93.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -37.8 | 170.7 | -29.4 | 38.3 | 0 | 0 | 0 | 114.5 | V401 L404 S438 F439 V445 T446 | V401-P442 HydrophobicContact CG1-CB 4.41Å; V401-P442 HydrophobicContact CG1-CG 3.81Å; V401-P442 HydrophobicContact CG2-CG 4.06Å; L404-P442 HydrophobicContact CB-CB 4.47Å; L404-P442 HydrophobicContact CD1-CB 3.86Å; S438-P442 WeakPolarHBondContact O-CD 3.06Å; S438-P442 VanDerWaalsContact O-CG 3.32Å; S438-P442 WeakPolarHBondContact O-CG 3.45Å; F439-P442 WeakPolarHBondContact O-CD 3.45Å; P442-V445 WeakPolarHBondContact O-CB 3.46Å; P442-V445 PolarHBondContact O-N 3.38Å; P442-T446 PolarHBondContact O-N 3.25Å |
| 443 | L | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 176.3 | -75.3 | 171.9 | 0 | 0 | 0 | 112.8 | L404 A416 L419 F423 F439 T440 V441 V445 T446 C447 A461 L462 | L404-L443 HydrophobicContact CD1-CD2 4.09Å; L404-L443 HydrophobicContact CD1-CG 4.15Å; L404-L443 HydrophobicContact CD2-CD2 3.94Å; A416-L443 HydrophobicContact CB-CD2 4.02Å; L419-L443 HydrophobicContact CD1-CD1 4Å; L419-L443 HydrophobicContact CD1-CD2 4.33Å; L419-L443 HydrophobicContact CD1-CG 4.28Å; F423-L443 HydrophobicContact CE2-CD1 4.11Å; F439-L443 WeakPolarHBondContact O-CB 3.49Å; F439-L443 VanDerWaalsContact O-CG 3.29Å; F439-L443 WeakPolarHBondContact O-CG 3.34Å; F439-L443 PolarHBondContact O-N 3.42Å; T440-L443 PolarHBondContact O-N 3.49Å; V441-L443 VanDerWaalsContact C-N 3.32Å; V441-L443 PolarHBondContact O-N 3.38Å; L443-V445 VanDerWaalsContact C-N 3.27Å; L443-V445 PolarHBondContact O-N 3.33Å; L443-T446 WeakPolarHBondContact CA-OG1 3.32Å; L443-T446 PolarHBondContact O-N 2.95Å; L443-T446 PolarHBondContact O-OG1 3.22Å; L443-C447 WeakPolarHBondContact O-CB 3.18Å; L443-C447 PolarHBondContact O-N 2.81Å; L443-C447 PolarHBondContact O-SG 3.07Å; L443-A461 HydrophobicContact CD1-CB 3.74Å; L443-A461 HydrophobicContact CD2-CB 3.81Å; L443-A461 HydrophobicContact CG-CB 4.45Å; L443-L462 HydrophobicContact CB-CD1 4.26Å; L443-L462 HydrophobicContact CB-CD2 3.66Å; L443-L462 HydrophobicContact CB-CG 3.92Å; L443-L462 HydrophobicContact CD1-CD2 3.84Å; L443-L462 HydrophobicContact CD1-CG 4.29Å; L443-L462 HydrophobicContact CG-CD2 4.41Å |
| 444 | C | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | 171.3 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | T440 V441 N448 F477 L481 | T440-C444 PolarHBondContact O-N 2.99Å; T440-C444 PolarHBondContact O-SG 3.08Å; V441-C444 WeakPolarHBondContact O-CB 3.16Å; V441-C444 PolarHBondContact O-N 3.37Å; C444-N448 PolarHBondContact O-ND2 2.91Å; C444-N448 VanDerWaalsContact O-ND2 3.12Å; C444-F477 PolarHBondContact SG-O 3.39Å; C444-F477 VanDerWaalsContact SG-O 3.39Å; C444-L481 HydrophobicContact CB-CD2 4.18Å; C444-L481 HydrophobicContact CB-CG 4.44Å |
| 445 | V | 91.7 | Very high | 92 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -68.5 | -44.8 | 172 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | V441 P442 L443 C447 N448 | V441-V445 PolarHBondContact O-N 3.47Å; P442-V445 WeakPolarHBondContact O-CB 3.46Å; P442-V445 PolarHBondContact O-N 3.38Å; L443-V445 VanDerWaalsContact C-N 3.27Å; L443-V445 PolarHBondContact O-N 3.33Å; V445-C447 VanDerWaalsContact C-N 3.32Å; V445-C447 PolarHBondContact O-N 3.31Å; V445-N448 WeakPolarHBondContact O-CA 3.4Å; V445-N448 WeakPolarHBondContact O-CB 3.49Å; V445-N448 PolarHBondContact O-N 2.83Å |
| 446 | T | 92.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72 | -22.6 | 179 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | L404 P442 L443 N448 D449 V454 S458 | L404-T446 HydrophobicContact CB-CG2 4.36Å; L404-T446 HydrophobicContact CD2-CG2 4.36Å; P442-T446 PolarHBondContact O-N 3.25Å; L443-T446 WeakPolarHBondContact CA-OG1 3.32Å; L443-T446 PolarHBondContact O-N 2.95Å; L443-T446 PolarHBondContact O-OG1 3.22Å; T446-N448 PolarHBondContact O-N 3.11Å; T446-D449 WeakPolarHBondContact O-CB 3.47Å; T446-D449 PolarHBondContact O-N 2.89Å; T446-D449 VanDerWaalsContact O-N 3.07Å; T446-V454 HydrophobicContact CG2-CG1 4.44Å; T446-S458 VanDerWaalsContact CB-OG 3.28Å; T446-S458 WeakPolarHBondContact CB-OG 3.44Å; T446-S458 WeakPolarHBondContact OG1-CB 3.41Å; T446-S458 PolarHBondContact OG1-OG 2.81Å |
| 447 | C | 90.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.8 | 164.5 | -76.9 | 0 | 0 | 0 | 0 | 114 | L443 V445 R455 S458 F459 L462 L481 R485 | L443-C447 WeakPolarHBondContact O-CB 3.18Å; L443-C447 PolarHBondContact O-N 2.81Å; L443-C447 PolarHBondContact O-SG 3.07Å; V445-C447 VanDerWaalsContact C-N 3.32Å; V445-C447 PolarHBondContact O-N 3.31Å; C447-R455 WeakPolarHBondContact O-CD 3.42Å; C447-S458 WeakPolarHBondContact SG-CB 3.45Å; C447-F459 HydrophobicContact CB-CD1 4.36Å; C447-F459 HydrophobicContact CB-CE1 3.81Å; C447-F459 WeakPolarHBondContact SG-CD1 3.14Å; C447-F459 VanDerWaalsContact SG-CE1 3.53Å; C447-L462 VanDerWaalsContact SG-CD1 3.55Å; C447-L481 HydrophobicContact CB-CD2 4Å; C447-R485 PolarHBondContact O-NE 3.12Å; C447-R485 VanDerWaalsContact O-NE 3.13Å |
| 448 | N | 89.4 | Confident | 92.6 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 6.8 | 173.6 | -71.8 | -52.9 | 0 | 0 | 0 | 113.6 | C444 V445 T446 R485 | C444-N448 PolarHBondContact O-ND2 2.91Å; C444-N448 VanDerWaalsContact O-ND2 3.12Å; V445-N448 WeakPolarHBondContact O-CA 3.4Å; V445-N448 WeakPolarHBondContact O-CB 3.49Å; V445-N448 PolarHBondContact O-N 2.83Å; T446-N448 PolarHBondContact O-N 3.11Å; N448-R485 PolarHBondContact OD1-NE 2.88Å; N448-R485 PolarHBondContact OD1-NH2 3.28Å |
| 449 | D | 92.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 40 Ų | 40 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | trans | -64.1 | 154 | -177.9 | -162.4 | -98.9 | 0 | 0 | 0 | 113 | R412 T446 D451 V454 R455 | R412-D449 IonicContact CZ-OD1 2.71Å; R412-D449 IonicContact CZ-OD2 2.71Å; R412-D449 IonicContact NH1-OD2 3.98Å; R412-D449 PolarHBondContact NH1-OD2 2.86Å; R412-D449 IonicContact NH2-OD1 2.78Å; R412-D449 PolarHBondContact NH2-OD1 3.15Å; R412-D449 IonicContact NH2-OD2 3.21Å; R412-D449 PolarHBondContact NH2-OD2 2.82Å; T446-D449 WeakPolarHBondContact O-CB 3.47Å; T446-D449 PolarHBondContact O-N 2.89Å; T446-D449 VanDerWaalsContact O-N 3.07Å; D449-D451 VanDerWaalsContact C-N 3.29Å; D449-D451 PolarHBondContact O-N 2.87Å; D449-D451 WeakPolarHBondContact OD1-CB 3.36Å; D449-D451 PolarHBondContact OD1-N 3.37Å; D449-V454 HydrophobicContact CB-CB 4.17Å; D449-V454 HydrophobicContact CB-CG1 3.79Å; D449-R455 HydrophobicContact CB-CG 4.43Å; D449-R455 VanDerWaalsContact O-CD 3.26Å; D449-R455 WeakPolarHBondContact O-CD 3.15Å; D449-R455 WeakPolarHBondContact O-CG 3.39Å; D449-R455 PolarHBondContact O-NH1 2.72Å | ||
| 450 | T | 88.3 | Confident | 92.6 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 66% | 0.656 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -61.9 | -32.7 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | R455 | T450-R455 PolarHBondContact O-NH1 2.98Š|
| 451 | D | 90.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -84.1 | 126.5 | -174.3 | -163.9 | -55.1 | 0 | 0 | 0 | 111.6 | P409 D449 E453 V454 R455 | P409-D451 HydrophobicContact CB-CB 4.16Å; P409-D451 WeakPolarHBondContact CB-OD2 3.5Å; D449-D451 VanDerWaalsContact C-N 3.29Å; D449-D451 PolarHBondContact O-N 2.87Å; D449-D451 WeakPolarHBondContact OD1-CB 3.36Å; D449-D451 PolarHBondContact OD1-N 3.37Å; D451-E453 VanDerWaalsContact C-N 3.33Å; D451-E453 PolarHBondContact O-N 3.28Å; D451-E453 WeakPolarHBondContact OD1-CB 3.26Å; D451-E453 PolarHBondContact OD1-N 3.18Å; D451-V454 HydrophobicContact CB-CB 4.2Å; D451-V454 HydrophobicContact CB-CG2 3.88Å; D451-V454 PolarHBondContact O-N 2.67Å; D451-R455 PolarHBondContact O-N 3.42Å; D451-R455 PolarHBondContact O-NH1 3.04Å |
| 452 | P | 90.1 | Very high | 93 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.8 | -36 | -179.8 | 26.6 | -34.6 | 0 | 0 | 0 | 113.6 | R455 E456 | P452-R455 PolarHBondContact O-N 3.28Å; P452-E456 WeakPolarHBondContact O-CG 3.32Å; P452-E456 PolarHBondContact O-N 2.87Å |
| 453 | E | 91 | Very high | 93 | Very high | 114 Ų | 114 | 36.9 Ų | 36.9 | 53% | 0.533 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.8 | -41.4 | -177 | -173 | 170.1 | -152.8 | 0 | 0 | 110.3 | A413 D451 R455 E456 C457 | A413-E453 HydrophobicContact CB-CG 4.33Å; D451-E453 VanDerWaalsContact C-N 3.33Å; D451-E453 PolarHBondContact O-N 3.28Å; D451-E453 WeakPolarHBondContact OD1-CB 3.26Å; D451-E453 PolarHBondContact OD1-N 3.18Å; E453-R455 PolarHBondContact O-N 2.97Å; E453-E456 PolarHBondContact O-N 2.92Å; E453-C457 WeakPolarHBondContact O-CB 3.47Å; E453-C457 PolarHBondContact O-N 3.47Å; E453-C457 PolarHBondContact O-SG 2.86Å |
| 454 | V | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | P409 R412 A413 T446 D449 D451 S458 | P409-V454 HydrophobicContact CB-CG2 3.82Å; P409-V454 WeakPolarHBondContact O-CG2 3.45Å; R412-V454 HydrophobicContact CB-CG1 4.07Å; R412-V454 HydrophobicContact CB-CG2 4.33Å; A413-V454 HydrophobicContact CB-CG2 4.21Å; T446-V454 HydrophobicContact CG2-CG1 4.44Å; D449-V454 HydrophobicContact CB-CB 4.17Å; D449-V454 HydrophobicContact CB-CG1 3.79Å; D451-V454 HydrophobicContact CB-CB 4.2Å; D451-V454 HydrophobicContact CB-CG2 3.88Å; D451-V454 PolarHBondContact O-N 2.67Å; V454-S458 WeakPolarHBondContact O-CB 3.49Å; V454-S458 PolarHBondContact O-N 2.9Å; V454-S458 PolarHBondContact O-OG 3.36Å |
| 455 | R | 94.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 36.9 Ų | 36.9 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.5 | -68.5 | -168.1 | -58 | -86.7 | 0.2 | 111.6 | C447 D449 T450 D451 P452 E453 S458 F459 | C447-R455 WeakPolarHBondContact O-CD 3.42Å; D449-R455 HydrophobicContact CB-CG 4.43Å; D449-R455 VanDerWaalsContact O-CD 3.26Å; D449-R455 WeakPolarHBondContact O-CD 3.15Å; D449-R455 WeakPolarHBondContact O-CG 3.39Å; D449-R455 PolarHBondContact O-NH1 2.72Å; T450-R455 PolarHBondContact O-NH1 2.98Å; D451-R455 PolarHBondContact O-N 3.42Å; D451-R455 PolarHBondContact O-NH1 3.04Å; P452-R455 PolarHBondContact O-N 3.28Å; E453-R455 PolarHBondContact O-N 2.97Å; R455-S458 WeakPolarHBondContact O-CB 3.31Å; R455-S458 PolarHBondContact O-N 2.67Å; R455-S458 VanDerWaalsContact O-N 3.14Å; R455-F459 HydrophobicContact CB-CE2 3.93Å; R455-F459 HydrophobicContact CB-CZ 4Å; R455-F459 VanDerWaalsContact O-CD2 3.22Å; R455-F459 WeakPolarHBondContact O-CD2 3.46Å; R455-F459 VanDerWaalsContact O-CG 3.27Å; R455-F459 WeakPolarHBondContact O-CG 3.21Å; R455-F459 PolarHBondContact O-N 3.26Å |
| 456 | E | 93.9 | Very high | 92.8 | Very high | 105 Ų | 105 | 32.8 Ų | 32.8 | 49% | 0.491 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71.2 | -37.1 | -176.4 | -68.8 | -177.9 | 164.9 | 0 | 0 | 112.6 | P452 E453 S458 F459 A460 K488 | P452-E456 WeakPolarHBondContact O-CG 3.32Å; P452-E456 PolarHBondContact O-N 2.87Å; E453-E456 PolarHBondContact O-N 2.92Å; E456-S458 VanDerWaalsContact C-N 3.27Å; E456-S458 PolarHBondContact O-N 2.76Å; E456-F459 HydrophobicContact CG-CD2 4.15Å; E456-F459 HydrophobicContact CG-CE2 4.31Å; E456-F459 PolarHBondContact O-N 2.8Å; E456-A460 PolarHBondContact O-N 3.09Å; E456-K488 IonicContact OE1-NZ 3.37Å; E456-K488 PolarHBondContact OE1-NZ 3Å |
| 457 | C | 95 | Very high | 92.7 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 9% | 0.088 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -35.6 | 168.5 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | A413 A416 L417 E453 A460 A461 | A413-C457 HydrophobicContact CB-CB 4.37Å; A416-C457 HydrophobicContact CB-CB 3.9Å; L417-C457 HydrophobicContact CD2-CB 4.03Å; L417-C457 HydrophobicContact CG-CB 3.91Å; L417-C457 VanDerWaalsContact CG-SG 3.55Å; E453-C457 WeakPolarHBondContact O-CB 3.47Å; E453-C457 PolarHBondContact O-N 3.47Å; E453-C457 PolarHBondContact O-SG 2.86Å; C457-A460 PolarHBondContact O-N 2.96Å; C457-A461 PolarHBondContact O-N 2.79Å |
| 458 | S | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.9 | -37.7 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | T446 C447 V454 R455 E456 A460 A461 L462 | T446-S458 VanDerWaalsContact CB-OG 3.28Å; T446-S458 WeakPolarHBondContact CB-OG 3.44Å; T446-S458 WeakPolarHBondContact OG1-CB 3.41Å; T446-S458 PolarHBondContact OG1-OG 2.81Å; C447-S458 WeakPolarHBondContact SG-CB 3.45Å; V454-S458 WeakPolarHBondContact O-CB 3.49Å; V454-S458 PolarHBondContact O-N 2.9Å; V454-S458 PolarHBondContact O-OG 3.36Å; R455-S458 WeakPolarHBondContact O-CB 3.31Å; R455-S458 PolarHBondContact O-N 2.67Å; R455-S458 VanDerWaalsContact O-N 3.14Å; E456-S458 VanDerWaalsContact C-N 3.27Å; E456-S458 PolarHBondContact O-N 2.76Å; S458-A460 VanDerWaalsContact C-N 3.34Å; S458-A461 PolarHBondContact O-N 3.05Å; S458-L462 WeakPolarHBondContact O-CG 3.46Å; S458-L462 PolarHBondContact O-N 3.48Å |
| 459 | F | 95.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 171.4 | -54.5 | -40.6 | 0 | 0 | 0 | 111.5 | C447 R455 E456 A461 L462 G463 R485 K488 I489 | C447-F459 HydrophobicContact CB-CD1 4.36Å; C447-F459 HydrophobicContact CB-CE1 3.81Å; C447-F459 WeakPolarHBondContact SG-CD1 3.14Å; C447-F459 VanDerWaalsContact SG-CE1 3.53Å; R455-F459 HydrophobicContact CB-CE2 3.93Å; R455-F459 HydrophobicContact CB-CZ 4Å; R455-F459 VanDerWaalsContact O-CD2 3.22Å; R455-F459 WeakPolarHBondContact O-CD2 3.46Å; R455-F459 VanDerWaalsContact O-CG 3.27Å; R455-F459 WeakPolarHBondContact O-CG 3.21Å; R455-F459 PolarHBondContact O-N 3.26Å; E456-F459 HydrophobicContact CG-CD2 4.15Å; E456-F459 HydrophobicContact CG-CE2 4.31Å; E456-F459 PolarHBondContact O-N 2.8Å; F459-A461 VanDerWaalsContact C-N 3.31Å; F459-A461 PolarHBondContact O-N 3.33Å; F459-L462 PolarHBondContact O-N 2.94Å; F459-G463 PolarHBondContact O-N 3.09Å; F459-R485 HydrophobicContact CE1-CB 3.96Å; F459-R485 HydrophobicContact CE1-CG 3.84Å; F459-R485 HydrophobicContact CZ-CB 4.47Å; F459-R485 HydrophobicContact CZ-CG 3.96Å; F459-K488 HydrophobicContact CD1-CB 4.5Å; F459-K488 HydrophobicContact CD2-CB 3.93Å; F459-K488 HydrophobicContact CD2-CD 3.61Å; F459-K488 HydrophobicContact CD2-CG 4.43Å; F459-K488 HydrophobicContact CE2-CB 4.3Å; F459-K488 HydrophobicContact CE2-CD 3.48Å; F459-K488 VanDerWaalsContact CE2-CD 3.48Å; F459-K488 HydrophobicContact CG-CB 4.08Å; F459-K488 HydrophobicContact CZ-CD 4.32Å; F459-I489 HydrophobicContact CB-CG1 4.2Å; F459-I489 HydrophobicContact CD1-CD1 4.17Å; F459-I489 HydrophobicContact CD1-CG1 3.77Å; F459-I489 HydrophobicContact CG-CG1 4.36Å |
| 460 | A | 93.9 | Very high | 91.9 | Very high | 26 Ų | 26 | 34 Ų | 34 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -30 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S420 E456 C457 S458 A464 | S420-A460 WeakPolarHBondContact CB-O 3.42Å; S420-A460 PolarHBondContact OG-O 3.49Å; E456-A460 PolarHBondContact O-N 3.09Å; C457-A460 PolarHBondContact O-N 2.96Å; S458-A460 VanDerWaalsContact C-N 3.34Å; A460-A464 WeakPolarHBondContact O-CB 3.37Å; A460-A464 PolarHBondContact O-N 3.09Å |
| 461 | A | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.5 | -48.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A416 L419 F423 L443 C457 S458 F459 A464 A465 | A416-A461 HydrophobicContact CB-CB 4.41Å; A416-A461 WeakPolarHBondContact O-CB 3.44Å; L419-A461 HydrophobicContact CB-CB 4.33Å; F423-A461 WeakPolarHBondContact CD2-O 3.48Å; L443-A461 HydrophobicContact CD1-CB 3.74Å; L443-A461 HydrophobicContact CD2-CB 3.81Å; L443-A461 HydrophobicContact CG-CB 4.45Å; C457-A461 PolarHBondContact O-N 2.79Å; S458-A461 PolarHBondContact O-N 3.05Å; F459-A461 VanDerWaalsContact C-N 3.31Å; F459-A461 PolarHBondContact O-N 3.33Å; A461-A464 PolarHBondContact O-N 2.88Å; A461-A465 PolarHBondContact O-N 2.97Å |
| 462 | L | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -36.1 | 178.4 | -68.8 | 178.6 | 0 | 0 | 0 | 112.4 | T440 L443 C447 S458 F459 A465 M466 I474 L478 L481 I489 | T440-L462 HydrophobicContact CG2-CD2 3.84Å; L443-L462 HydrophobicContact CB-CD1 4.26Å; L443-L462 HydrophobicContact CB-CD2 3.66Å; L443-L462 HydrophobicContact CB-CG 3.92Å; L443-L462 HydrophobicContact CD1-CD2 3.84Å; L443-L462 HydrophobicContact CD1-CG 4.29Å; L443-L462 HydrophobicContact CG-CD2 4.41Å; C447-L462 VanDerWaalsContact SG-CD1 3.55Å; S458-L462 WeakPolarHBondContact O-CG 3.46Å; S458-L462 PolarHBondContact O-N 3.48Å; F459-L462 PolarHBondContact O-N 2.94Å; L462-A465 PolarHBondContact O-N 2.91Å; L462-M466 VanDerWaalsContact O-CB 3.25Å; L462-M466 WeakPolarHBondContact O-CB 3.46Å; L462-M466 PolarHBondContact O-N 2.68Å; L462-I474 HydrophobicContact CD2-CD1 4.46Å; L462-L478 HydrophobicContact CD1-CD2 4.09Å; L462-L478 HydrophobicContact CD2-CD2 4.13Å; L462-L481 HydrophobicContact CD1-CD1 4.09Å; L462-I489 HydrophobicContact CB-CD1 4.12Å; L462-I489 HydrophobicContact CB-CG1 4.11Å; L462-I489 HydrophobicContact CB-CG2 3.87Å; L462-I489 HydrophobicContact CD1-CD1 3.63Å; L462-I489 HydrophobicContact CD1-CG1 4.38Å |
| 463 | G | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F459 M466 F467 | F459-G463 PolarHBondContact O-N 3.09Å; G463-M466 PolarHBondContact O-N 2.65Å; G463-F467 WeakPolarHBondContact O-CB 3.47Å; G463-F467 PolarHBondContact O-N 3.34Å |
| 464 | A | 91.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F423 K424 A460 A461 F467 V468 I496 | F423-A464 HydrophobicContact CB-CB 3.93Å; F423-A464 HydrophobicContact CD2-CB 4.42Å; K424-A464 HydrophobicContact CG-CB 4.21Å; A460-A464 WeakPolarHBondContact O-CB 3.37Å; A460-A464 PolarHBondContact O-N 3.09Å; A461-A464 PolarHBondContact O-N 2.88Å; A464-F467 PolarHBondContact O-N 3.45Å; A464-V468 WeakPolarHBondContact O-CG2 3.33Å; A464-V468 PolarHBondContact O-N 3.07Å; A464-I496 HydrophobicContact CB-CD1 3.73Å |
| 465 | A | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F423 L431 L436 A461 L462 F467 V468 V469 I474 | F423-A465 HydrophobicContact CD2-CB 3.74Å; F423-A465 HydrophobicContact CE2-CB 3.9Å; F423-A465 HydrophobicContact CG-CB 4.33Å; L431-A465 HydrophobicContact CD2-CB 4.18Å; L436-A465 HydrophobicContact CD1-CB 4.22Å; A461-A465 PolarHBondContact O-N 2.97Å; L462-A465 PolarHBondContact O-N 2.91Å; A465-F467 VanDerWaalsContact C-N 3.34Å; A465-F467 PolarHBondContact O-N 2.98Å; A465-V468 PolarHBondContact O-N 3.26Å; A465-V468 VanDerWaalsContact O-N 3.17Å; A465-V469 WeakPolarHBondContact O-CG2 3.47Å; A465-V469 PolarHBondContact O-N 3.26Å; A465-I474 HydrophobicContact CB-CD1 3.7Å |
| 466 | M | 92.1 | Very high | 90.3 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 179.8 | -175 | 162.3 | 70.6 | 0 | 0 | 113.2 | L462 G463 S470 A471 I474 I489 N490 C493 | L462-M466 VanDerWaalsContact O-CB 3.25Å; L462-M466 WeakPolarHBondContact O-CB 3.46Å; L462-M466 PolarHBondContact O-N 2.68Å; G463-M466 PolarHBondContact O-N 2.65Å; M466-S470 CarbonylContact O-C 3.58Å; M466-S470 VanDerWaalsContact O-C 3.32Å; M466-S470 WeakPolarHBondContact O-CA 3.37Å; M466-S470 PolarHBondContact O-N 3.21Å; M466-A471 HydrophobicContact CG-CB 4.26Å; M466-A471 HydrophobicContact SD-CB 4.15Å; M466-I474 HydrophobicContact CB-CD1 4.36Å; M466-I474 HydrophobicContact CB-CG2 3.86Å; M466-I474 HydrophobicContact CG-CG2 3.7Å; M466-I474 HydrophobicContact SD-CG2 4.14Å; M466-I489 HydrophobicContact CE-CG2 3.79Å; M466-I489 HydrophobicContact SD-CG2 4.41Å; M466-N490 WeakPolarHBondContact CE-OD1 3.22Å; M466-C493 HydrophobicContact CE-CB 3.6Å |
| 467 | F | 90 | Very high | 90 | Very high | 75 Ų | 75 | 29.3 Ų | 29.3 | 33% | 0.329 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 172.4 | -178.7 | -94.4 | 0 | 0 | 0 | 111.3 | G463 A464 A465 I496 A497 L500 | G463-F467 WeakPolarHBondContact O-CB 3.47Å; G463-F467 PolarHBondContact O-N 3.34Å; A464-F467 PolarHBondContact O-N 3.45Å; A465-F467 VanDerWaalsContact C-N 3.34Å; A465-F467 PolarHBondContact O-N 2.98Å; F467-I496 HydrophobicContact CB-CG2 4.43Å; F467-I496 HydrophobicContact CD1-CG2 4.33Å; F467-I496 HydrophobicContact CG-CG2 4.18Å; F467-A497 HydrophobicContact CD2-CB 4.08Å; F467-A497 HydrophobicContact CE2-CB 3.66Å; F467-L500 HydrophobicContact CD1-CD1 4.06Å; F467-L500 HydrophobicContact CE1-CD1 3.37Å; F467-L500 HydrophobicContact CZ-CD1 3.68Å |
| 468 | V | 86 | Confident | 89.7 | Confident | 25 Ų | 25 | 29 Ų | 29 | 15% | 0.152 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.5 | -49.8 | -175.8 | 173.4 | 0 | 0 | 0 | 0 | 112.9 | F423 C426 T428 L431 A464 A465 | F423-V468 VanDerWaalsContact O-CG2 3.31Å; F423-V468 WeakPolarHBondContact O-CG2 3.41Å; C426-V468 WeakPolarHBondContact O-CG1 3.41Å; T428-V468 WeakPolarHBondContact CG2-O 3.23Å; L431-V468 HydrophobicContact CD2-CG1 4.46Å; A464-V468 WeakPolarHBondContact O-CG2 3.33Å; A464-V468 PolarHBondContact O-N 3.07Å; A465-V468 PolarHBondContact O-N 3.26Å; A465-V468 VanDerWaalsContact O-N 3.17Å |
| 469 | V | 86.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -93 | -1.1 | -175.4 | -59.7 | 0 | 0 | 0 | 0 | 114.2 | L431 L436 A465 T473 I474 | L431-V469 HydrophobicContact CB-CG1 4.16Å; L431-V469 HydrophobicContact CD2-CG1 4.1Å; L431-V469 HydrophobicContact CG-CG1 4.17Å; L436-V469 HydrophobicContact CD1-CG2 4.09Å; L436-V469 HydrophobicContact CD2-CB 4.41Å; L436-V469 HydrophobicContact CD2-CG1 4.33Å; L436-V469 HydrophobicContact CD2-CG2 3.78Å; A465-V469 WeakPolarHBondContact O-CG2 3.47Å; A465-V469 PolarHBondContact O-N 3.26Å; V469-T473 HydrophobicContact CB-CG2 4.03Å; V469-T473 HydrophobicContact CG2-CG2 4.22Å; V469-T473 WeakPolarHBondContact O-CB 3.42Å; V469-T473 PolarHBondContact O-OG1 3.29Å; V469-I474 HydrophobicContact CG2-CB 3.97Å |
| 470 | S | 83.8 | Confident | 88.2 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | trans | 63 | 153.8 | -165.3 | 82.7 | 0 | 0 | 0 | 0 | 114.7 | M466 K472 T473 I474 | M466-S470 CarbonylContact O-C 3.58Å; M466-S470 VanDerWaalsContact O-C 3.32Å; M466-S470 WeakPolarHBondContact O-CA 3.37Å; M466-S470 PolarHBondContact O-N 3.21Å; S470-K472 VanDerWaalsContact C-N 3.26Å; S470-K472 PolarHBondContact O-N 3.08Å; S470-T473 PolarHBondContact O-N 3.38Å; S470-T473 VanDerWaalsContact O-N 3.07Å; S470-I474 PolarHBondContact O-N 3.31Å | ||
| 471 | A | 83.8 | Confident | 87.8 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -48.9 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M466 T473 I474 Q475 I515 | M466-A471 HydrophobicContact CG-CB 4.26Å; M466-A471 HydrophobicContact SD-CB 4.15Å; A471-T473 PolarHBondContact O-N 3.2Å; A471-T473 VanDerWaalsContact O-N 3.13Å; A471-I474 PolarHBondContact O-N 3.26Å; A471-Q475 WeakPolarHBondContact O-CB 3.21Å; A471-Q475 PolarHBondContact O-N 3.35Å; A471-I515 HydrophobicContact CB-CD1 3.9Å |
| 472 | K | 83 | Confident | 87.4 | Confident | 94 Ų | 94 | 43 Ų | 43 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.2 | -31.3 | -178.5 | -74.1 | 179.2 | 177.3 | 161.3 | 0 | 113.9 | S470 T513 S514 I515 | S470-K472 VanDerWaalsContact C-N 3.26Å; S470-K472 PolarHBondContact O-N 3.08Å; K472-T513 WeakPolarHBondContact CE-O 3.23Å; K472-T513 PolarHBondContact NZ-O 3.42Å; K472-T513 PolarHBondContact NZ-OG1 3.02Å; K472-S514 VanDerWaalsContact CE-O 3.25Å; K472-S514 WeakPolarHBondContact CE-O 3.5Å; K472-S514 PolarHBondContact NZ-O 3.07Å; K472-I515 HydrophobicContact CD-CG1 4.2Å; K472-I515 HydrophobicContact CG-CD1 3.71Å; K472-I515 HydrophobicContact CG-CG1 3.49Å; K472-I515 VanDerWaalsContact CG-CG1 3.49Å |
| 473 | T | 85.2 | Confident | 86.7 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -87 | -34.1 | -176 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | K433 L436 V469 S470 A471 | K433-T473 HydrophobicContact CG-CG2 4.48Å; L436-T473 HydrophobicContact CD2-CG2 3.99Å; V469-T473 HydrophobicContact CB-CG2 4.03Å; V469-T473 HydrophobicContact CG2-CG2 4.22Å; V469-T473 WeakPolarHBondContact O-CB 3.42Å; V469-T473 PolarHBondContact O-OG1 3.29Å; S470-T473 PolarHBondContact O-N 3.38Å; S470-T473 VanDerWaalsContact O-N 3.07Å; A471-T473 PolarHBondContact O-N 3.2Å; A471-T473 VanDerWaalsContact O-N 3.13Å |
| 474 | I | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -90.1 | -29.9 | -177.5 | -165 | 171.5 | 0 | 0 | 0 | 113.2 | L436 T440 L462 A465 M466 V469 S470 A471 P476 F477 L478 | L436-I474 HydrophobicContact CD1-CD1 4.16Å; L436-I474 HydrophobicContact CD1-CG1 4.22Å; T440-I474 HydrophobicContact CG2-CD1 4.38Å; T440-I474 HydrophobicContact CG2-CG1 4.14Å; L462-I474 HydrophobicContact CD2-CD1 4.46Å; A465-I474 HydrophobicContact CB-CD1 3.7Å; M466-I474 HydrophobicContact CB-CD1 4.36Å; M466-I474 HydrophobicContact CB-CG2 3.86Å; M466-I474 HydrophobicContact CG-CG2 3.7Å; M466-I474 HydrophobicContact SD-CG2 4.14Å; V469-I474 HydrophobicContact CG2-CB 3.97Å; S470-I474 PolarHBondContact O-N 3.31Å; A471-I474 PolarHBondContact O-N 3.26Å; I474-P476 VanDerWaalsContact C-N 3.33Å; I474-P476 VanDerWaalsContact O-N 3.16Å; I474-F477 WeakPolarHBondContact O-CA 3.39Å; I474-F477 WeakPolarHBondContact O-CB 3.13Å; I474-F477 PolarHBondContact O-N 3.46Å; I474-L478 HydrophobicContact CD1-CD1 4.45Å; I474-L478 HydrophobicContact CD1-CD2 4.43Å; I474-L478 HydrophobicContact CG1-CD1 4.16Å; I474-L478 HydrophobicContact CG1-CD2 4.26Å; I474-L478 HydrophobicContact CG1-CG 4.1Å; I474-L478 HydrophobicContact CG2-CD1 3.98Å |
| 475 | Q | 87.4 | Confident | 86.1 | Confident | 106 Ų | 106 | 56.3 Ų | 56.3 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54.4 | -34.3 | -174.1 | -171 | 168.6 | 18.3 | 0 | 0 | 115.4 | A471 F477 L478 I515 | A471-Q475 WeakPolarHBondContact O-CB 3.21Å; A471-Q475 PolarHBondContact O-N 3.35Å; Q475-F477 PolarHBondContact O-N 3.06Å; Q475-F477 VanDerWaalsContact O-N 3.1Å; Q475-L478 PolarHBondContact O-N 3.33Å; Q475-L478 VanDerWaalsContact O-N 3.07Å; Q475-I515 VanDerWaalsContact OE1-CD1 3.22Å |
| 476 | P | 86.6 | Confident | 85.9 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 57% | 0.571 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -61.9 | -11.7 | 171.6 | -24.6 | 36.1 | 0 | 0 | 0 | 115.6 | I474 | I474-P476 VanDerWaalsContact C-N 3.33Å; I474-P476 VanDerWaalsContact O-N 3.16Å |
| 477 | F | 87.5 | Confident | 85.7 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -108.1 | -2.4 | 176.5 | -47.8 | -58.8 | 0 | 0 | 0 | 112.9 | L436 K437 T440 C444 I474 Q475 | L436-F477 HydrophobicContact CD2-CD2 4.16Å; L436-F477 HydrophobicContact CD2-CE2 3.86Å; L436-F477 HydrophobicContact CG-CD2 4.26Å; L436-F477 HydrophobicContact CG-CE2 4.22Å; K437-F477 HydrophobicContact CB-CD1 4.27Å; K437-F477 HydrophobicContact CB-CE1 3.94Å; K437-F477 HydrophobicContact CB-CZ 4.13Å; K437-F477 HydrophobicContact CD-CD1 4.42Å; K437-F477 HydrophobicContact CD-CE1 3.99Å; K437-F477 HydrophobicContact CG-CD1 3.97Å; K437-F477 HydrophobicContact CG-CE1 3.87Å; T440-F477 HydrophobicContact CG2-CB 3.53Å; C444-F477 PolarHBondContact SG-O 3.39Å; C444-F477 VanDerWaalsContact SG-O 3.39Å; I474-F477 WeakPolarHBondContact O-CA 3.39Å; I474-F477 WeakPolarHBondContact O-CB 3.13Å; I474-F477 PolarHBondContact O-N 3.46Å; Q475-F477 PolarHBondContact O-N 3.06Å; Q475-F477 VanDerWaalsContact O-N 3.1Å |
| 478 | L | 88.2 | Confident | 85.7 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | trans | -105.8 | 3.9 | 179.7 | -56.7 | -179.4 | 0 | 0 | 0 | 113 | T440 L462 I474 Q475 E480 L481 L486 | T440-L478 HydrophobicContact CG2-CD2 3.63Å; L462-L478 HydrophobicContact CD1-CD2 4.09Å; L462-L478 HydrophobicContact CD2-CD2 4.13Å; I474-L478 HydrophobicContact CD1-CD1 4.45Å; I474-L478 HydrophobicContact CD1-CD2 4.43Å; I474-L478 HydrophobicContact CG1-CD1 4.16Å; I474-L478 HydrophobicContact CG1-CD2 4.26Å; I474-L478 HydrophobicContact CG1-CG 4.1Å; I474-L478 HydrophobicContact CG2-CD1 3.98Å; Q475-L478 PolarHBondContact O-N 3.33Å; Q475-L478 VanDerWaalsContact O-N 3.07Å; L478-E480 PolarHBondContact O-N 2.81Å; L478-E480 VanDerWaalsContact O-N 3.11Å; L478-L481 HydrophobicContact CD2-CD1 4.17Å; L478-L481 WeakPolarHBondContact O-CB 3.31Å; L478-L481 PolarHBondContact O-N 3.29Å; L478-L486 HydrophobicContact CB-CD2 3.92Å; L478-L486 HydrophobicContact CD1-CD2 4.26Å | ||
| 479 | S | 81.2 | Confident | 85.9 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.9 | -173.5 | 50.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 480 | E | 79.8 | Confident | 86 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 70% | 0.696 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.7 | 176.8 | -63.5 | 176 | -173.4 | 0 | 0 | 113.1 | L478 | L478-E480 PolarHBondContact O-N 2.81Å; L478-E480 VanDerWaalsContact O-N 3.11Å |
| 481 | L | 85.1 | Confident | 86.3 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -93.6 | 139.9 | -179.6 | -59.9 | -179.1 | 0 | 0 | 0 | 111.6 | C444 C447 L462 L478 R485 L486 I489 | C444-L481 HydrophobicContact CB-CD2 4.18Å; C444-L481 HydrophobicContact CB-CG 4.44Å; C447-L481 HydrophobicContact CB-CD2 4Å; L462-L481 HydrophobicContact CD1-CD1 4.09Å; L478-L481 HydrophobicContact CD2-CD1 4.17Å; L478-L481 WeakPolarHBondContact O-CB 3.31Å; L478-L481 PolarHBondContact O-N 3.29Å; L481-R485 HydrophobicContact CB-CB 4.31Å; L481-L486 HydrophobicContact CB-CD2 4.17Å; L481-L486 HydrophobicContact CB-CG 4.1Å; L481-L486 WeakPolarHBondContact O-CD1 3.4Å; L481-I489 HydrophobicContact CD1-CD1 3.44Å; L481-I489 VanDerWaalsContact CD1-CD1 3.44Å |
| 482 | D | 86.7 | Confident | 86.4 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | trans | -72.9 | 163.8 | 174.5 | 71 | -0.7 | 0 | 0 | 0 | 112.9 | I484 R485 L486 | D482-I484 PolarHBondContact O-N 2.68Å; D482-I484 VanDerWaalsContact O-N 3.12Å; D482-R485 PolarHBondContact O-N 3.33Å; D482-R485 VanDerWaalsContact O-N 3.15Å; D482-R485 WeakPolarHBondContact OD1-CB 3.08Å; D482-R485 VanDerWaalsContact OD1-CG 3.28Å; D482-R485 WeakPolarHBondContact OD1-CG 3.48Å; D482-R485 IonicContact OD1-CZ 3.49Å; D482-R485 PolarHBondContact OD1-N 3.03Å; D482-R485 IonicContact OD1-NH1 3.22Å; D482-R485 PolarHBondContact OD1-NH1 3.32Å; D482-R485 IonicContact OD2-NH1 3Å; D482-R485 PolarHBondContact OD2-NH1 2.81Å; D482-L486 WeakPolarHBondContact O-CG 3.25Å; D482-L486 PolarHBondContact O-N 2.96Å | ||
| 483 | S | 80.9 | Confident | 86.7 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.5 | -27.8 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | A487 | S483-A487 VanDerWaalsContact O-CB 3.31Å; S483-A487 WeakPolarHBondContact O-CB 3.13Å; S483-A487 PolarHBondContact O-N 2.99Å |
| 484 | I | 84.5 | Confident | 86.7 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 62% | 0.621 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -73.1 | -43.7 | 178.9 | -58.1 | 177 | 0 | 0 | 0 | 110.8 | D482 A487 K488 | D482-I484 PolarHBondContact O-N 2.68Å; D482-I484 VanDerWaalsContact O-N 3.12Å; I484-A487 PolarHBondContact O-N 3.13Å; I484-K488 PolarHBondContact O-N 3.32Å |
| 485 | R | 87.3 | Confident | 86.2 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 173.6 | -71.2 | 172.9 | -171.7 | 76.1 | -20.4 | 111.6 | C447 N448 F459 L481 D482 A487 K488 I489 | C447-R485 PolarHBondContact O-NE 3.12Å; C447-R485 VanDerWaalsContact O-NE 3.13Å; N448-R485 PolarHBondContact OD1-NE 2.88Å; N448-R485 PolarHBondContact OD1-NH2 3.28Å; F459-R485 HydrophobicContact CE1-CB 3.96Å; F459-R485 HydrophobicContact CE1-CG 3.84Å; F459-R485 HydrophobicContact CZ-CB 4.47Å; F459-R485 HydrophobicContact CZ-CG 3.96Å; L481-R485 HydrophobicContact CB-CB 4.31Å; D482-R485 PolarHBondContact O-N 3.33Å; D482-R485 VanDerWaalsContact O-N 3.15Å; D482-R485 WeakPolarHBondContact OD1-CB 3.08Å; D482-R485 VanDerWaalsContact OD1-CG 3.28Å; D482-R485 WeakPolarHBondContact OD1-CG 3.48Å; D482-R485 IonicContact OD1-CZ 3.49Å; D482-R485 PolarHBondContact OD1-N 3.03Å; D482-R485 IonicContact OD1-NH1 3.22Å; D482-R485 PolarHBondContact OD1-NH1 3.32Å; D482-R485 IonicContact OD2-NH1 3Å; D482-R485 PolarHBondContact OD2-NH1 2.81Å; R485-A487 VanDerWaalsContact C-N 3.3Å; R485-A487 PolarHBondContact O-N 3.28Å; R485-K488 PolarHBondContact O-N 2.99Å; R485-K488 VanDerWaalsContact O-N 3.16Å; R485-I489 WeakPolarHBondContact O-CG1 3.12Å; R485-I489 PolarHBondContact O-N 2.77Å |
| 486 | L | 88.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 175 | -69.9 | 170.5 | 0 | 0 | 0 | 111.7 | L478 L481 D482 I489 N490 | L478-L486 HydrophobicContact CB-CD2 3.92Å; L478-L486 HydrophobicContact CD1-CD2 4.26Å; L481-L486 HydrophobicContact CB-CD2 4.17Å; L481-L486 HydrophobicContact CB-CG 4.1Å; L481-L486 WeakPolarHBondContact O-CD1 3.4Å; D482-L486 WeakPolarHBondContact O-CG 3.25Å; D482-L486 PolarHBondContact O-N 2.96Å; L486-I489 PolarHBondContact O-N 3.08Å; L486-N490 PolarHBondContact O-N 3.07Å; L486-N490 PolarHBondContact O-ND2 2.99Å |
| 487 | A | 87.9 | Confident | 85.3 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S483 I484 R485 I489 N490 E491 | S483-A487 VanDerWaalsContact O-CB 3.31Å; S483-A487 WeakPolarHBondContact O-CB 3.13Å; S483-A487 PolarHBondContact O-N 2.99Å; I484-A487 PolarHBondContact O-N 3.13Å; R485-A487 VanDerWaalsContact C-N 3.3Å; R485-A487 PolarHBondContact O-N 3.28Å; A487-I489 VanDerWaalsContact C-N 3.31Å; A487-I489 PolarHBondContact O-N 3.38Å; A487-N490 PolarHBondContact O-N 3Å; A487-E491 PolarHBondContact O-N 3.06Å |
| 488 | K | 89.2 | Confident | 84.5 | Confident | 75 Ų | 75 | 64 Ų | 64 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 173.8 | -81 | -160.1 | 165 | -142.9 | 0 | 113.4 | E456 F459 I484 R485 E491 C492 | E456-K488 IonicContact OE1-NZ 3.37Å; E456-K488 PolarHBondContact OE1-NZ 3Å; F459-K488 HydrophobicContact CD1-CB 4.5Å; F459-K488 HydrophobicContact CD2-CB 3.93Å; F459-K488 HydrophobicContact CD2-CD 3.61Å; F459-K488 HydrophobicContact CD2-CG 4.43Å; F459-K488 HydrophobicContact CE2-CB 4.3Å; F459-K488 HydrophobicContact CE2-CD 3.48Å; F459-K488 VanDerWaalsContact CE2-CD 3.48Å; F459-K488 HydrophobicContact CG-CB 4.08Å; F459-K488 HydrophobicContact CZ-CD 4.32Å; I484-K488 PolarHBondContact O-N 3.32Å; R485-K488 PolarHBondContact O-N 2.99Å; R485-K488 VanDerWaalsContact O-N 3.16Å; K488-E491 PolarHBondContact O-N 3.08Å; K488-C492 PolarHBondContact O-N 2.86Å; K488-C492 PolarHBondContact O-SG 3.15Å |
| 489 | I | 91.7 | Very high | 83.4 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.2 | -36.9 | 177.1 | -67 | 162.8 | 0 | 0 | 0 | 110.9 | F459 L462 M466 L481 R485 L486 A487 C492 C493 | F459-I489 HydrophobicContact CB-CG1 4.2Å; F459-I489 HydrophobicContact CD1-CD1 4.17Å; F459-I489 HydrophobicContact CD1-CG1 3.77Å; F459-I489 HydrophobicContact CG-CG1 4.36Å; L462-I489 HydrophobicContact CB-CD1 4.12Å; L462-I489 HydrophobicContact CB-CG1 4.11Å; L462-I489 HydrophobicContact CB-CG2 3.87Å; L462-I489 HydrophobicContact CD1-CD1 3.63Å; L462-I489 HydrophobicContact CD1-CG1 4.38Å; M466-I489 HydrophobicContact CE-CG2 3.79Å; M466-I489 HydrophobicContact SD-CG2 4.41Å; L481-I489 HydrophobicContact CD1-CD1 3.44Å; L481-I489 VanDerWaalsContact CD1-CD1 3.44Å; R485-I489 WeakPolarHBondContact O-CG1 3.12Å; R485-I489 PolarHBondContact O-N 2.77Å; L486-I489 PolarHBondContact O-N 3.08Å; A487-I489 VanDerWaalsContact C-N 3.31Å; A487-I489 PolarHBondContact O-N 3.38Å; I489-C492 PolarHBondContact O-N 3.46Å; I489-C493 WeakPolarHBondContact O-CB 3.5Å; I489-C493 PolarHBondContact O-N 3.18Å |
| 490 | N | 88.8 | Confident | 82.1 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 169.4 | -68.3 | -31.4 | 0 | 0 | 0 | 111.1 | M466 L486 A487 C492 C493 E494 | M466-N490 WeakPolarHBondContact CE-OD1 3.22Å; L486-N490 PolarHBondContact O-N 3.07Å; L486-N490 PolarHBondContact O-ND2 2.99Å; A487-N490 PolarHBondContact O-N 3Å; N490-C492 VanDerWaalsContact C-N 3.3Å; N490-C492 PolarHBondContact O-N 3.41Å; N490-C493 WeakPolarHBondContact O-CA 3.46Å; N490-C493 VanDerWaalsContact O-CB 3.29Å; N490-C493 WeakPolarHBondContact O-CB 3.42Å; N490-C493 PolarHBondContact O-N 3.14Å; N490-E494 WeakPolarHBondContact O-CG 3.49Å; N490-E494 PolarHBondContact O-N 2.92Å |
| 491 | E | 89.1 | Confident | 80.3 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.6 | -44.2 | 176.2 | -169.7 | -169.8 | 165.9 | 0 | 0 | 111.5 | A487 K488 C493 E494 Q495 | A487-E491 PolarHBondContact O-N 3.06Å; K488-E491 PolarHBondContact O-N 3.08Å; E491-C493 PolarHBondContact O-N 3.34Å; E491-E494 PolarHBondContact O-N 3.14Å; E491-Q495 WeakPolarHBondContact O-CB 3.13Å; E491-Q495 VanDerWaalsContact O-CG 3.26Å; E491-Q495 WeakPolarHBondContact O-CG 3.49Å; E491-Q495 PolarHBondContact O-N 3.23Å; E491-Q495 PolarHBondContact OE1-NE2 2.88Å |
| 492 | C | 86.8 | Confident | 78 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | K488 I489 N490 I496 | K488-C492 PolarHBondContact O-N 2.86Å; K488-C492 PolarHBondContact O-SG 3.15Å; I489-C492 PolarHBondContact O-N 3.46Å; N490-C492 VanDerWaalsContact C-N 3.3Å; N490-C492 PolarHBondContact O-N 3.41Å; C492-I496 WeakPolarHBondContact O-CB 3.35Å; C492-I496 WeakPolarHBondContact O-CD1 3.49Å; C492-I496 WeakPolarHBondContact O-CG1 3.26Å; C492-I496 PolarHBondContact O-N 3.31Å |
| 493 | C | 87.7 | Confident | 75.5 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 14% | 0.142 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.1 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | M466 I489 N490 E491 I496 A497 | M466-C493 HydrophobicContact CE-CB 3.6Å; I489-C493 WeakPolarHBondContact O-CB 3.5Å; I489-C493 PolarHBondContact O-N 3.18Å; N490-C493 WeakPolarHBondContact O-CA 3.46Å; N490-C493 VanDerWaalsContact O-CB 3.29Å; N490-C493 WeakPolarHBondContact O-CB 3.42Å; N490-C493 PolarHBondContact O-N 3.14Å; E491-C493 PolarHBondContact O-N 3.34Å; C493-I496 PolarHBondContact O-N 2.93Å; C493-A497 PolarHBondContact O-N 3.35Å |
| 494 | E | 86.7 | Confident | 73 | Confident | 138 Ų | 138 | 69.1 Ų | 69.1 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68 | -41 | 176.6 | -70.9 | 171.4 | -160.8 | 0 | 0 | 112.1 | N490 E491 I496 A497 S498 | N490-E494 WeakPolarHBondContact O-CG 3.49Å; N490-E494 PolarHBondContact O-N 2.92Å; E491-E494 PolarHBondContact O-N 3.14Å; E494-I496 VanDerWaalsContact C-N 3.33Å; E494-I496 PolarHBondContact O-N 3.11Å; E494-A497 WeakPolarHBondContact O-CB 3.44Å; E494-A497 PolarHBondContact O-N 2.94Å; E494-S498 PolarHBondContact O-N 3.03Å |
| 495 | Q | 79.7 | Confident | 70.2 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 171.1 | -75.2 | 175.1 | 17.9 | 0 | 0 | 110.9 | E491 A497 S498 E499 | E491-Q495 WeakPolarHBondContact O-CB 3.13Å; E491-Q495 VanDerWaalsContact O-CG 3.26Å; E491-Q495 WeakPolarHBondContact O-CG 3.49Å; E491-Q495 PolarHBondContact O-N 3.23Å; E491-Q495 PolarHBondContact OE1-NE2 2.88Å; Q495-A497 PolarHBondContact O-N 3.36Å; Q495-S498 CarbonylContact O-C 3.52Å; Q495-S498 WeakPolarHBondContact O-CA 3.38Å; Q495-S498 PolarHBondContact O-N 3.32Å; Q495-S498 VanDerWaalsContact O-N 3.08Å; Q495-S498 PolarHBondContact O-OG 3.02Å; Q495-E499 PolarHBondContact O-N 3.3Å |
| 496 | I | 78.7 | Confident | 67.2 | Low | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 178.2 | -68.9 | 171.5 | 0 | 0 | 0 | 111.9 | K424 A464 F467 C492 C493 E494 S498 E499 L500 | K424-I496 VanDerWaalsContact CE-CD1 3.48Å; K424-I496 VanDerWaalsContact CE-CG1 3.49Å; K424-I496 HydrophobicContact CG-CG2 4.36Å; A464-I496 HydrophobicContact CB-CD1 3.73Å; F467-I496 HydrophobicContact CB-CG2 4.43Å; F467-I496 HydrophobicContact CD1-CG2 4.33Å; F467-I496 HydrophobicContact CG-CG2 4.18Å; C492-I496 WeakPolarHBondContact O-CB 3.35Å; C492-I496 WeakPolarHBondContact O-CD1 3.49Å; C492-I496 WeakPolarHBondContact O-CG1 3.26Å; C492-I496 PolarHBondContact O-N 3.31Å; C493-I496 PolarHBondContact O-N 2.93Å; E494-I496 VanDerWaalsContact C-N 3.33Å; E494-I496 PolarHBondContact O-N 3.11Å; I496-S498 VanDerWaalsContact C-N 3.28Å; I496-S498 PolarHBondContact O-N 3.35Å; I496-E499 PolarHBondContact O-N 3.37Å; I496-L500 HydrophobicContact CG2-CD1 3.95Å; I496-L500 WeakPolarHBondContact O-CB 3.49Å; I496-L500 WeakPolarHBondContact O-CG 3.27Å; I496-L500 PolarHBondContact O-N 3.28Å |
| 497 | A | 75.6 | Confident | 64.3 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F467 C493 E494 Q495 S501 | F467-A497 HydrophobicContact CD2-CB 4.08Å; F467-A497 HydrophobicContact CE2-CB 3.66Å; C493-A497 PolarHBondContact O-N 3.35Å; E494-A497 WeakPolarHBondContact O-CB 3.44Å; E494-A497 PolarHBondContact O-N 2.94Å; Q495-A497 PolarHBondContact O-N 3.36Å; A497-S501 WeakPolarHBondContact O-CB 3.37Å; A497-S501 PolarHBondContact O-N 3.35Å; A497-S501 PolarHBondContact O-OG 3.13Å |
| 498 | S | 70.1 | Confident | 61.2 | Low | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -74.9 | -35.5 | 177.8 | 81.2 | 0 | 0 | 0 | 0 | 113.9 | E494 Q495 I496 L500 S501 N502 | E494-S498 PolarHBondContact O-N 3.03Å; Q495-S498 CarbonylContact O-C 3.52Å; Q495-S498 WeakPolarHBondContact O-CA 3.38Å; Q495-S498 PolarHBondContact O-N 3.32Å; Q495-S498 VanDerWaalsContact O-N 3.08Å; Q495-S498 PolarHBondContact O-OG 3.02Å; I496-S498 VanDerWaalsContact C-N 3.28Å; I496-S498 PolarHBondContact O-N 3.35Å; S498-L500 VanDerWaalsContact C-N 3.34Å; S498-S501 WeakPolarHBondContact CA-OG 3.49Å; S498-S501 PolarHBondContact O-OG 3.39Å; S498-S501 VanDerWaalsContact O-OG 3.12Å; S498-N502 VanDerWaalsContact O-CB 3.31Å; S498-N502 WeakPolarHBondContact O-CB 3.37Å; S498-N502 VanDerWaalsContact O-CG 3.23Å; S498-N502 PolarHBondContact O-N 3.35Å; S498-N502 PolarHBondContact O-ND2 3.03Å |
| 499 | E | 65 | Low | 58.2 | Low | 99 Ų | 99 | 77 Ų | 77 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 170.4 | -73.9 | 179.8 | 166.5 | 0 | 0 | 110.2 | K424 Q495 I496 N502 S503 | K424-E499 IonicContact NZ-OE1 3.61Å; K424-E499 IonicContact NZ-OE2 3.53Å; K424-E499 PolarHBondContact NZ-OE2 2.8Å; Q495-E499 PolarHBondContact O-N 3.3Å; I496-E499 PolarHBondContact O-N 3.37Å; E499-N502 PolarHBondContact O-N 2.58Å; E499-S503 WeakPolarHBondContact O-CB 3.44Å; E499-S503 PolarHBondContact O-N 3.29Å |
| 500 | L | 53.9 | Low | 55.1 | Low | 53 Ų | 53 | 82.2 Ų | 82.2 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.1 | -34.3 | -179.6 | -76.5 | 166.2 | 0 | 0 | 0 | 112.7 | F467 I496 S498 N504 | F467-L500 HydrophobicContact CD1-CD1 4.06Å; F467-L500 HydrophobicContact CE1-CD1 3.37Å; F467-L500 HydrophobicContact CZ-CD1 3.68Å; I496-L500 HydrophobicContact CG2-CD1 3.95Å; I496-L500 WeakPolarHBondContact O-CB 3.49Å; I496-L500 WeakPolarHBondContact O-CG 3.27Å; I496-L500 PolarHBondContact O-N 3.28Å; S498-L500 VanDerWaalsContact C-N 3.34Å; L500-N504 WeakPolarHBondContact O-CA 3.42Å; L500-N504 VanDerWaalsContact O-CB 3.27Å; L500-N504 WeakPolarHBondContact O-CB 3.48Å; L500-N504 PolarHBondContact O-N 2.88Å |
| 501 | S | 42.3 | Very low | 52 | Low | 72 Ų | 72 | 85.1 Ų | 85.1 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 173.5 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | A497 S498 | A497-S501 WeakPolarHBondContact O-CB 3.37Å; A497-S501 PolarHBondContact O-N 3.35Å; A497-S501 PolarHBondContact O-OG 3.13Å; S498-S501 WeakPolarHBondContact CA-OG 3.49Å; S498-S501 PolarHBondContact O-OG 3.39Å; S498-S501 VanDerWaalsContact O-OG 3.12Å |
| 502 | N | 36.7 | Very low | 49 | Very low | 137 Ų | 137 | 84 Ų | 84 | 73% | 0.733 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.1 | -31.8 | 177.6 | -71.4 | -35.1 | 0 | 0 | 0 | 112.6 | S498 E499 | S498-N502 VanDerWaalsContact O-CB 3.31Å; S498-N502 WeakPolarHBondContact O-CB 3.37Å; S498-N502 VanDerWaalsContact O-CG 3.23Å; S498-N502 PolarHBondContact O-N 3.35Å; S498-N502 PolarHBondContact O-ND2 3.03Å; E499-N502 PolarHBondContact O-N 2.58Å |
| 503 | S | 34.3 | Very low | 46.1 | Very low | 99 Ų | 99 | 87.7 Ų | 87.7 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -87.2 | -32.9 | 179 | -167.8 | 0 | 0 | 0 | 0 | 113.1 | E499 | E499-S503 WeakPolarHBondContact O-CB 3.44Å; E499-S503 PolarHBondContact O-N 3.29Å |
| 504 | N | 28.4 | Very low | 43.2 | Very low | 80 Ų | 80 | 91.8 Ų | 91.8 | 43% | 0.428 | 55% | 0.549 | S | S | . | . | trans | -111.2 | 82.6 | 174.8 | -66.5 | -61.1 | 0 | 0 | 0 | 111 | L500 S506 | L500-N504 WeakPolarHBondContact O-CA 3.42Å; L500-N504 VanDerWaalsContact O-CB 3.27Å; L500-N504 WeakPolarHBondContact O-CB 3.48Å; L500-N504 PolarHBondContact O-N 2.88Å; N504-S506 PolarHBondContact O-N 2.86Å | ||
| 505 | N | 26.3 | Very low | 40.3 | Very low | 155 Ų | 155 | 89 Ų | 89 | 83% | 0.829 | 54% | 0.537 | S | S | * | . | trans | -74 | 53.7 | 155.9 | -143.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 506 | S | 24.9 | Very low | 37.6 | Very low | 33 Ų | 33 | 90 Ų | 90 | 23% | 0.231 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -162.9 | 112.2 | 179.4 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | K225 N504 | K225-S506 VanDerWaalsContact CE-CB 3.45Å; K225-S506 WeakPolarHBondContact CE-OG 3.26Å; K225-S506 VanDerWaalsContact NZ-CB 3.34Å; K225-S506 PolarHBondContact NZ-OG 2.84Å; N504-S506 PolarHBondContact O-N 2.86Å |
| 507 | G | 26.1 | Very low | 35.2 | Very low | 64 Ų | 64 | 97.4 Ų | 97.4 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | trans | -70.7 | 141.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 508 | N | 24.4 | Very low | 32.6 | Very low | 109 Ų | 109 | 100.9 Ų | 100.9 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | -154.7 | 112.7 | 105.3 | -97.4 | -17.8 | 0 | 0 | 0 | 109 | |||||
| 509 | Q | 24.8 | Very low | 30.4 | Very low | 173 Ų | 173 | 105 Ų | 105 | 81% | 0.808 | 64% | 0.638 | S | S | * | * | trans | -88.7 | 122.7 | 172.6 | -91.9 | -173.3 | -23.4 | 0 | 0 | 109.7 | ||||
| 510 | P | 25.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 106.2 Ų | 106.2 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | trans | -65 | 132.9 | 163.6 | -15.2 | 30 | 0 | 0 | 0 | 109.4 | A512 | P510-A512 PolarHBondContact O-N 3.23Š| ||
| 511 | T | 24.5 | Very low | 27 | Very low | 134 Ų | 134 | 108.6 Ų | 108.6 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | trans | -72 | 91.1 | -174.7 | 52 | 0 | 0 | 0 | 0 | 112.3 | T513 | T511-T513 PolarHBondContact O-N 3.23Å; T511-T513 VanDerWaalsContact O-N 3.08Å | ||
| 512 | A | 27.3 | Very low | 26.3 | Very low | 75 Ų | 75 | 115 Ų | 115 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | -66 | 104.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P510 S514 | P510-A512 PolarHBondContact O-N 3.23Å; A512-S514 PolarHBondContact O-N 3.4Å | ||
| 513 | T | 25.3 | Very low | 26.5 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | trans | -73 | 118.8 | 177.6 | 40.1 | 0 | 0 | 0 | 0 | 110.7 | K472 T511 | K472-T513 WeakPolarHBondContact CE-O 3.23Å; K472-T513 PolarHBondContact NZ-O 3.42Å; K472-T513 PolarHBondContact NZ-OG1 3.02Å; T511-T513 PolarHBondContact O-N 3.23Å; T511-T513 VanDerWaalsContact O-N 3.08Å | ||
| 514 | S | 26.7 | Very low | 26 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -51.5 | 150.4 | -175.7 | -39.2 | 0 | 0 | 0 | 0 | 114.5 | K472 A512 | K472-S514 VanDerWaalsContact CE-O 3.25Å; K472-S514 WeakPolarHBondContact CE-O 3.5Å; K472-S514 PolarHBondContact NZ-O 3.07Å; A512-S514 PolarHBondContact O-N 3.4Å | ||
| 515 | I | 25.9 | Very low | 26 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 41% | 0.405 | 73% | 0.725 | S | S | . | * | trans | -94 | 114.3 | 168 | -61.5 | 177 | 0 | 0 | 0 | 108 | A471 K472 Q475 | A471-I515 HydrophobicContact CB-CD1 3.9Å; K472-I515 HydrophobicContact CD-CG1 4.2Å; K472-I515 HydrophobicContact CG-CD1 3.71Å; K472-I515 HydrophobicContact CG-CG1 3.49Å; K472-I515 VanDerWaalsContact CG-CG1 3.49Å; Q475-I515 VanDerWaalsContact OE1-CD1 3.22Å | ||
| 516 | S | 22.6 | Very low | 26.1 | Very low | 112 Ų | 112 | 115.3 Ų | 115.3 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -86.8 | 110.4 | 173.9 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 517 | I | 27.8 | Very low | 26.2 | Very low | 162 Ų | 162 | 119.9 Ų | 119.9 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -76.4 | 139.4 | 165.2 | -64.9 | 177 | 0 | 0 | 0 | 108.5 | ||||
| 518 | S | 21.4 | Very low | 26.2 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -91.3 | 113.9 | -166.4 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 519 | T | 24.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -130.8 | 148 | 148.8 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 520 | S | 22 | Very low | 26.5 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -107.7 | 114.4 | -154 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 521 | A | 25.8 | Very low | 26.4 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -158.5 | 145.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 522 | K | 26.7 | Very low | 26.6 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -119.2 | 169.5 | 168.4 | -88.7 | -173 | 177.3 | -178.2 | 0 | 107.9 | ||||
| 523 | P | 41.8 | Very low | 26.7 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | cis | -133.7 | 177.3 | 9.5 | 41.2 | -24.3 | 0 | 0 | 0 | 116.3 | ||||
| 524 | N | 22.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 44.6 | 126.7 | 152.6 | -56.4 | -3.4 | 0 | 0 | 0 | 119.4 | ||||
| 525 | T | 29 | Very low | 26.7 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | -163.6 | 159.8 | 65.5 | -59.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 526 | A | 27.4 | Very low | 26.5 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75 | 150.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 527 | P | 27.7 | Very low | 27 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 151.5 | -178.8 | 33.6 | -36.1 | 0 | 0 | 0 | 113.7 | ||
| 528 | R | 26.3 | Very low | 26.7 | Very low | 254 Ų | 254 | 142.9 Ų | 142.9 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.5 | -178.1 | -151.8 | 175.3 | -169.5 | -170.4 | 2.5 | 111.4 | ||
| 529 | R | 28.6 | Very low | 26.8 | Very low | 245 Ų | 245 | 143.9 Ų | 143.9 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79 | 160.2 | -174.4 | -154.4 | 172.9 | -174.2 | 175.2 | 0.4 | 112.3 | ||
| 530 | A | 25.8 | Very low | 27.1 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 171.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 531 | A | 24.9 | Very low | 28 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65 | 155.7 | -169 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 532 | P | 29.3 | Very low | 27.8 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 151.7 | -173.2 | 33.9 | -36 | 0 | 0 | 0 | 113.9 | ||
| 533 | P | 27.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 147.8 | 172.9 | 32.2 | -34.8 | 0 | 0 | 0 | 112 | ||
| 534 | V | 27.6 | Very low | 26.7 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -94 | 100.9 | -178.6 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 535 | T | 24.4 | Very low | 26.7 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137.8 | 167 | 42.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 536 | R | 23.6 | Very low | 26.4 | Very low | 243 Ų | 243 | 136.8 Ų | 136.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.1 | 177.4 | -87.6 | -178.2 | 169.9 | 172.8 | -2.7 | 110.8 | ||
| 537 | P | 31.6 | Very low | 26.2 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 145.2 | 179.9 | 32.4 | -35 | 0 | 0 | 0 | 111.7 | ||
| 538 | N | 22.3 | Very low | 25.9 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -130.9 | 132.4 | 166.1 | -120.4 | -2.7 | 0 | 0 | 0 | 110.7 | ||||
| 539 | T | 22.4 | Very low | 25.7 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -52.6 | 154.1 | 168.4 | 40.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 540 | A | 31.1 | Very low | 25.4 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | -167.7 | -153.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 541 | P | 40.8 | Very low | 25 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -137.4 | 175.9 | -10.5 | 41.4 | -22.6 | 0 | 0 | 0 | 117.1 | ||||
| 542 | S | 21.4 | Very low | 24.9 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 50.8 | 121 | 149.4 | 60.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 543 | G | 22.4 | Very low | 24.7 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -172.2 | 43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 544 | T | 23.2 | Very low | 24.5 | Very low | 151 Ų | 151 | 131 Ų | 131 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | 36.9 | 105.3 | 161.5 | 52.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 545 | G | 24.4 | Very low | 24.3 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | -156.1 | 132.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 546 | Q | 21.6 | Very low | 24.4 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | -108.3 | 178 | -174.1 | -66.9 | 174 | -56.6 | 0 | 0 | 112.2 | ||||
| 547 | A | 23.2 | Very low | 24.4 | Very low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 73.6 | 105.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 548 | T | 21.6 | Very low | 24.2 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | 87.8 | 133.4 | 50.8 | 63 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 549 | S | 22.7 | Very low | 24.4 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 67.3 | 113 | 167.7 | -56.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 550 | E | 21.2 | Very low | 25.5 | Very low | 189 Ų | 189 | 122.2 Ų | 122.2 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | 76.7 | 133.2 | 57.9 | -68.5 | -167.4 | 129 | 0 | 0 | 115.8 | |||||
| 551 | C | 18.9 | Very low | 25.1 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 79.4 | 116.3 | 152.7 | -144.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 552 | A | 22.2 | Very low | 24.2 | Very low | 74 Ų | 74 | 124 Ų | 124 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | trans | 66.1 | 110.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 553 | T | 25 | Very low | 24.5 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 127.1 | 136.6 | 65.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 554 | K | 22.8 | Very low | 24.3 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | -167 | 152.1 | 108.1 | -98.2 | 142.2 | -164.9 | 162.6 | 0 | 113.3 | |||||
| 555 | T | 22.8 | Very low | 24.3 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | -66.7 | 142.1 | 176.2 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 556 | P | 28 | Very low | 24.1 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -71.1 | 131.7 | 159.8 | 30.8 | -31.9 | 0 | 0 | 0 | 109.9 | ||||
| 557 | T | 22.7 | Very low | 24.1 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -114.5 | 137.1 | -170.3 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 558 | L | 27 | Very low | 24 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | 66.7 | 127.5 | 147.2 | -63.3 | 166.5 | 0 | 0 | 0 | 120.3 | ||||
| 559 | G | 26 | Very low | 23.9 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -163.8 | 120.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 560 | P | 46.5 | Very low | 24 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -111 | 149 | -166 | 38.4 | -33.1 | 0 | 0 | 0 | 115.7 | ||||
| 561 | S | 22.8 | Very low | 24 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -164.8 | 109.3 | 146.5 | 13.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 562 | S | 22.1 | Very low | 24.4 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -30.1 | 138.8 | 167.6 | 52.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 563 | K | 26.4 | Very low | 24.6 | Very low | 214 Ų | 214 | 142.8 Ų | 142.8 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | -153.7 | 153.6 | 129.5 | -106.5 | 157.8 | -173.2 | 174.1 | 0 | 111.2 | |||||
| 564 | K | 20 | Very low | 24.4 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -84.5 | 167.9 | -174 | -55.6 | 173.7 | 178.2 | 176 | 0 | 110.3 | ||||
| 565 | S | 21.6 | Very low | 24.5 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | cis | -161.2 | 156 | 20.9 | -23 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 566 | T | 21.7 | Very low | 24.6 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 85% | 0.847 | 84% | 0.837 | S | S | * | * | trans | 47.5 | 105 | 148.9 | 51.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 567 | A | 20.4 | Very low | 24.6 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -50 | 160 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 568 | R | 21.2 | Very low | 25.1 | Very low | 246 Ų | 246 | 150.1 Ų | 150.1 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | trans | -145.5 | 146.9 | 130.4 | -156.2 | 166.4 | -173.6 | 168.5 | 1.5 | 112 | ||||
| 569 | T | 20.6 | Very low | 26.1 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -85.9 | 141.3 | -169.7 | 38.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 570 | K | 23.1 | Very low | 27.8 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | -176.7 | 138.4 | 109.5 | -99.8 | 180 | 176.9 | -174 | 0 | 111.4 | |||||
| 571 | S | 22 | Very low | 28.5 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -92 | 150.7 | 175 | 40.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 572 | V | 27.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -119 | 148.6 | 170.1 | 177.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 573 | V | 26 | Very low | 33.3 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 128.9 | -163.6 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 574 | E | 22.1 | Very low | 35.9 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.9 | 170 | -64.3 | -177.1 | 122.7 | 0 | 0 | 111.4 | ||
| 575 | K | 24.4 | Very low | 38.7 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 119.6 | 173.3 | -70.3 | -177.5 | 177.1 | -179.2 | 0 | 110.1 | ||
| 576 | S | 24.9 | Very low | 41.6 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 135.1 | 176.2 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 577 | K | 27.2 | Very low | 44.5 | Very low | 202 Ų | 202 | 126 Ų | 126 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.2 | 169.3 | -67.4 | -177.7 | 177.6 | -178.6 | 0 | 109.6 | ||
| 578 | S | 33 | Very low | 47.3 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 117 | 174.9 | 40.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 579 | T | 49.3 | Very low | 50.2 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 137.5 | -179.1 | -37.6 | 0 | 0 | 0 | 0 | 111 | ||
| 580 | I | 60.4 | Low | 53.1 | Low | 61 Ų | 61 | 117.7 Ų | 117.7 | 31% | 0.313 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 133.7 | 166.2 | -60.1 | 176.4 | 0 | 0 | 0 | 108 | ||
| 581 | P | 62.4 | Low | 56 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 40% | 0.403 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 138.5 | -179.7 | 25.1 | -33.8 | 0 | 0 | 0 | 112 | S675 S676 | P581-S675 VanDerWaalsContact O-CA 3.25Å; P581-S675 WeakPolarHBondContact O-CA 2.99Å; P581-S676 PolarHBondContact O-N 3.36Å; P581-S676 VanDerWaalsContact O-N 3.17Å |
| 582 | T | 66.9 | Low | 58.8 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | trans | -110.7 | 133.9 | 170.6 | 43.7 | 0 | 0 | 0 | 0 | 109 | S676 | T582-S676 WeakPolarHBondContact CG2-OG 3.42Š| ||
| 583 | E | 78.7 | Confident | 61.5 | Low | 64 Ų | 64 | 103.2 Ų | 103.2 | 30% | 0.299 | 55% | 0.554 | S | S | . | * | trans | -125.7 | 154.3 | 177 | 80.7 | -171 | 161 | 0 | 0 | 110.1 | Q637 S675 N677 | E583-Q637 VanDerWaalsContact CG-NE2 3.3Å; E583-Q637 PolarHBondContact OE1-NE2 3.46Å; E583-S675 VanDerWaalsContact CD-CB 3.47Å; E583-S675 WeakPolarHBondContact CG-OG 3.48Å; E583-S675 WeakPolarHBondContact OE1-CB 3.33Å; E583-S675 PolarHBondContact OE1-OG 3.13Å; E583-N677 PolarHBondContact O-ND2 3.28Å | ||
| 584 | N | 80.1 | Confident | 64.3 | Low | 153 Ų | 153 | 100 Ų | 100 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 137.7 | 172.7 | -69.9 | -21.5 | 0 | 0 | 0 | 110.2 | Q637 | N584-Q637 PolarHBondContact O-NE2 2.7Š|
| 585 | L | 79.9 | Confident | 67.2 | Low | 82 Ų | 82 | 91.2 Ų | 91.2 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 119.1 | 176.4 | -67 | 178.6 | 0 | 0 | 0 | 110.1 | N677 L681 | L585-N677 HydrophobicContact CD1-CB 4.44Å; L585-N677 HydrophobicContact CD2-CB 4.02Å; L585-N677 HydrophobicContact CG-CB 4.11Å; L585-L681 HydrophobicContact CD2-CD2 4.4Å |
| 586 | L | 82.5 | Confident | 70.1 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 18% | 0.178 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 154.4 | 171.1 | -65.8 | 169.8 | 0 | 0 | 0 | 111.8 | E590 I591 K594 Q637 I638 R641 | L586-E590 HydrophobicContact CB-CB 4.27Å; L586-E590 HydrophobicContact CD2-CB 4.34Å; L586-E590 VanDerWaalsContact CD2-OE1 3.31Å; L586-E590 WeakPolarHBondContact CD2-OE1 3.46Å; L586-I591 HydrophobicContact CB-CD1 3.89Å; L586-I591 HydrophobicContact CB-CG1 3.72Å; L586-I591 HydrophobicContact CD1-CG1 4.25Å; L586-K594 HydrophobicContact CD1-CD 4.1Å; L586-Q637 VanDerWaalsContact CG-OE1 3.28Å; L586-I638 HydrophobicContact CD1-CD1 4.21Å; L586-I638 HydrophobicContact CD1-CG1 3.86Å; L586-R641 VanDerWaalsContact O-CZ 3.32Å; L586-R641 PolarHBondContact O-NH1 3.01Å; L586-R641 PolarHBondContact O-NH2 3.29Å; L586-R641 VanDerWaalsContact O-NH2 3.16Å |
| 587 | T | 82.7 | Confident | 72.9 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 44% | 0.436 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 162.4 | 174.2 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | D589 E590 I591 | T587-D589 PolarHBondContact O-N 2.87Å; T587-E590 WeakPolarHBondContact CB-OE2 3.4Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.37Å; T587-E590 PolarHBondContact N-OE2 3.33Å; T587-E590 PolarHBondContact O-N 2.84Å; T587-E590 WeakPolarHBondContact OG1-CB 3.49Å; T587-E590 WeakPolarHBondContact OG1-CG 3.42Å; T587-E590 PolarHBondContact OG1-N 2.7Å; T587-E590 PolarHBondContact OG1-OE2 3.09Å; T587-I591 WeakPolarHBondContact O-CB 3.39Å; T587-I591 WeakPolarHBondContact O-CD1 3.47Å; T587-I591 WeakPolarHBondContact O-CG1 3.38Å; T587-I591 PolarHBondContact O-N 3.49Å; T587-I591 VanDerWaalsContact O-N 3.08Å |
| 588 | E | 78.7 | Confident | 75.5 | Confident | 93 Ų | 93 | 76.7 Ų | 76.7 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -31.6 | 177.8 | -162.8 | 174.1 | 173.1 | 0 | 0 | 111.4 | S592 L645 K646 | E588-S592 WeakPolarHBondContact O-CB 3.48Å; E588-S592 PolarHBondContact O-N 3.28Å; E588-S592 PolarHBondContact O-OG 3.16Å; E588-L645 HydrophobicContact CG-CD2 4.2Å; E588-K646 VanDerWaalsContact CD-NZ 3.28Å; E588-K646 IonicContact OE1-NZ 3.87Å; E588-K646 PolarHBondContact OE1-NZ 2.86Å; E588-K646 IonicContact OE2-NZ 2.77Å; E588-K646 PolarHBondContact OE2-NZ 3.34Å; E588-K646 VanDerWaalsContact OE2-NZ 3.16Å |
| 589 | D | 81.4 | Confident | 77.9 | Confident | 129 Ų | 129 | 72.7 Ų | 72.7 | 69% | 0.69 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.9 | -48.9 | 176.3 | -57.1 | -55.5 | 0 | 0 | 0 | 112.4 | T587 I591 S592 Q593 | T587-D589 PolarHBondContact O-N 2.87Å; D589-I591 PolarHBondContact O-N 3.11Å; D589-S592 WeakPolarHBondContact O-CB 3.34Å; D589-S592 PolarHBondContact O-N 3.39Å; D589-S592 VanDerWaalsContact O-N 3.09Å; D589-Q593 PolarHBondContact O-N 3.04Å |
| 590 | E | 83.2 | Confident | 79.4 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.1 | -34.6 | 175.4 | -75.9 | 171.3 | 102.6 | 0 | 0 | 112.6 | L586 T587 K594 | L586-E590 HydrophobicContact CB-CB 4.27Å; L586-E590 HydrophobicContact CD2-CB 4.34Å; L586-E590 VanDerWaalsContact CD2-OE1 3.31Å; L586-E590 WeakPolarHBondContact CD2-OE1 3.46Å; T587-E590 WeakPolarHBondContact CB-OE2 3.4Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.37Å; T587-E590 PolarHBondContact N-OE2 3.33Å; T587-E590 PolarHBondContact O-N 2.84Å; T587-E590 WeakPolarHBondContact OG1-CB 3.49Å; T587-E590 WeakPolarHBondContact OG1-CG 3.42Å; T587-E590 PolarHBondContact OG1-N 2.7Å; T587-E590 PolarHBondContact OG1-OE2 3.09Å; E590-K594 WeakPolarHBondContact O-CB 3.44Å; E590-K594 VanDerWaalsContact O-CG 3.3Å; E590-K594 WeakPolarHBondContact O-CG 3.36Å; E590-K594 PolarHBondContact O-N 3.04Å; E590-K594 IonicContact OE1-NZ 3.42Å |
| 591 | I | 83.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.2 | -41.6 | 175.6 | -72.1 | 161.5 | 0 | 0 | 0 | 110.5 | L586 T587 D589 Q593 K594 A595 R641 | L586-I591 HydrophobicContact CB-CD1 3.89Å; L586-I591 HydrophobicContact CB-CG1 3.72Å; L586-I591 HydrophobicContact CD1-CG1 4.25Å; T587-I591 WeakPolarHBondContact O-CB 3.39Å; T587-I591 WeakPolarHBondContact O-CD1 3.47Å; T587-I591 WeakPolarHBondContact O-CG1 3.38Å; T587-I591 PolarHBondContact O-N 3.49Å; T587-I591 VanDerWaalsContact O-N 3.08Å; D589-I591 PolarHBondContact O-N 3.11Å; I591-Q593 VanDerWaalsContact C-N 3.29Å; I591-Q593 PolarHBondContact O-N 2.86Å; I591-K594 PolarHBondContact O-N 2.9Å; I591-A595 WeakPolarHBondContact O-CB 3.2Å; I591-A595 PolarHBondContact O-N 3.05Å; I591-R641 HydrophobicContact CD1-CB 3.84Å; I591-R641 HydrophobicContact CD1-CG 4.3Å; I591-R641 HydrophobicContact CG2-CB 4.03Å |
| 592 | S | 80.1 | Confident | 81.7 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.5 | E588 D589 S596 | E588-S592 WeakPolarHBondContact O-CB 3.48Å; E588-S592 PolarHBondContact O-N 3.28Å; E588-S592 PolarHBondContact O-OG 3.16Å; D589-S592 WeakPolarHBondContact O-CB 3.34Å; D589-S592 PolarHBondContact O-N 3.39Å; D589-S592 VanDerWaalsContact O-N 3.09Å; S592-S596 WeakPolarHBondContact O-CB 3.3Å; S592-S596 PolarHBondContact O-N 3.44Å; S592-S596 PolarHBondContact O-OG 3.17Å |
| 593 | Q | 84.4 | Confident | 82.5 | Confident | 118 Ų | 118 | 66.4 Ų | 66.4 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.1 | -61.7 | 171.8 | -179.2 | -179.4 | -16.6 | 0 | 0 | 111.6 | D589 I591 A595 S596 E597 | D589-Q593 PolarHBondContact O-N 3.04Å; I591-Q593 VanDerWaalsContact C-N 3.29Å; I591-Q593 PolarHBondContact O-N 2.86Å; Q593-A595 VanDerWaalsContact C-N 3.27Å; Q593-A595 PolarHBondContact O-N 3.25Å; Q593-S596 WeakPolarHBondContact O-CA 3.46Å; Q593-S596 WeakPolarHBondContact O-CB 3.26Å; Q593-S596 PolarHBondContact O-N 2.95Å; Q593-E597 HydrophobicContact CG-CG 4.5Å; Q593-E597 VanDerWaalsContact CG-OE1 3.31Å; Q593-E597 WeakPolarHBondContact CG-OE1 3.3Å; Q593-E597 PolarHBondContact NE2-OE1 3.35Å; Q593-E597 PolarHBondContact O-N 3.45Å |
| 594 | K | 84.1 | Confident | 82.8 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -29.7 | -173.6 | -68.3 | 171.6 | -175.2 | 169.3 | 0 | 113.1 | L586 E590 I591 L598 I638 | L586-K594 HydrophobicContact CD1-CD 4.1Å; E590-K594 WeakPolarHBondContact O-CB 3.44Å; E590-K594 VanDerWaalsContact O-CG 3.3Å; E590-K594 WeakPolarHBondContact O-CG 3.36Å; E590-K594 PolarHBondContact O-N 3.04Å; E590-K594 IonicContact OE1-NZ 3.42Å; I591-K594 PolarHBondContact O-N 2.9Å; K594-L598 VanDerWaalsContact O-CB 3.22Å; K594-L598 WeakPolarHBondContact O-CB 3.5Å; K594-L598 PolarHBondContact O-N 3.07Å; K594-I638 HydrophobicContact CB-CD1 3.96Å; K594-I638 HydrophobicContact CB-CG2 4.26Å; K594-I638 HydrophobicContact CD-CD1 3.99Å |
| 595 | A | 84.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.7 | -34.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I591 Q593 L598 L599 I604 I638 A642 | I591-A595 WeakPolarHBondContact O-CB 3.2Å; I591-A595 PolarHBondContact O-N 3.05Å; Q593-A595 VanDerWaalsContact C-N 3.27Å; Q593-A595 PolarHBondContact O-N 3.25Å; A595-L598 PolarHBondContact O-N 2.64Å; A595-L599 VanDerWaalsContact O-CB 3.27Å; A595-L599 WeakPolarHBondContact O-CB 3.47Å; A595-L599 PolarHBondContact O-N 2.92Å; A595-I604 HydrophobicContact CB-CD1 3.74Å; A595-I604 HydrophobicContact CB-CG1 4.33Å; A595-I638 HydrophobicContact CB-CG2 4.15Å; A595-A642 HydrophobicContact CB-CB 3.72Å |
| 596 | S | 84.2 | Confident | 83.4 | Confident | 31 Ų | 31 | 61 Ų | 61 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.9 | -35 | 173.4 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | S592 Q593 G600 E601 | S592-S596 WeakPolarHBondContact O-CB 3.3Å; S592-S596 PolarHBondContact O-N 3.44Å; S592-S596 PolarHBondContact O-OG 3.17Å; Q593-S596 WeakPolarHBondContact O-CA 3.46Å; Q593-S596 WeakPolarHBondContact O-CB 3.26Å; Q593-S596 PolarHBondContact O-N 2.95Å; S596-G600 CarbonylContact O-C 3.39Å; S596-G600 WeakPolarHBondContact O-CA 3.35Å; S596-G600 PolarHBondContact O-N 3.34Å; S596-E601 PolarHBondContact O-N 3.23Å |
| 597 | E | 83.7 | Confident | 83.7 | Confident | 128 Ų | 128 | 59.4 Ų | 59.4 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 172 | -68 | 167.3 | 177.4 | 0 | 0 | 112 | Q593 | Q593-E597 HydrophobicContact CG-CG 4.5Å; Q593-E597 VanDerWaalsContact CG-OE1 3.31Å; Q593-E597 WeakPolarHBondContact CG-OE1 3.3Å; Q593-E597 PolarHBondContact NE2-OE1 3.35Å; Q593-E597 PolarHBondContact O-N 3.45Å |
| 598 | L | 82.3 | Confident | 83.8 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -84.9 | -36.3 | -175.2 | -166.7 | 81.5 | 0 | 0 | 0 | 114.4 | K594 A595 F629 P635 L639 | K594-L598 VanDerWaalsContact O-CB 3.22Å; K594-L598 WeakPolarHBondContact O-CB 3.5Å; K594-L598 PolarHBondContact O-N 3.07Å; A595-L598 PolarHBondContact O-N 2.64Å; L598-F629 HydrophobicContact CD1-CE1 3.99Å; L598-F629 HydrophobicContact CD1-CZ 3.95Å; L598-F629 HydrophobicContact CD2-CZ 4.09Å; L598-F629 HydrophobicContact CG-CZ 3.99Å; L598-P635 HydrophobicContact CD1-CG 4.13Å; L598-P635 HydrophobicContact CD2-CG 3.52Å; L598-P635 HydrophobicContact CG-CG 4.5Å; L598-L639 HydrophobicContact CD2-CD2 3.6Å; L598-L639 HydrophobicContact CD2-CG 4.17Å |
| 599 | L | 82.6 | Confident | 84.3 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -115.4 | -8 | -171.1 | -61.9 | 170.7 | 0 | 0 | 0 | 113.5 | A595 L603 I604 M622 L639 A642 | A595-L599 VanDerWaalsContact O-CB 3.27Å; A595-L599 WeakPolarHBondContact O-CB 3.47Å; A595-L599 PolarHBondContact O-N 2.92Å; L599-L603 HydrophobicContact CB-CD2 4.31Å; L599-I604 HydrophobicContact CB-CD1 4.21Å; L599-I604 HydrophobicContact CD1-CD1 4.04Å; L599-M622 HydrophobicContact CD1-CE 3.77Å; L599-M622 HydrophobicContact CD1-CG 4.25Å; L599-M622 HydrophobicContact CD1-SD 4.17Å; L599-L639 HydrophobicContact CD1-CD2 4.42Å; L599-L639 HydrophobicContact CD2-CD2 4.26Å; L599-A642 HydrophobicContact CD1-CB 4.35Å |
| 600 | G | 82.3 | Confident | 84.5 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | trans | 86.5 | 129.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | S596 A602 L603 I604 | S596-G600 CarbonylContact O-C 3.39Å; S596-G600 WeakPolarHBondContact O-CA 3.35Å; S596-G600 PolarHBondContact O-N 3.34Å; G600-A602 PolarHBondContact O-N 3.12Å; G600-A602 VanDerWaalsContact O-N 3.12Å; G600-L603 WeakPolarHBondContact O-CB 3.44Å; G600-L603 PolarHBondContact O-N 3.07Å; G600-I604 PolarHBondContact O-N 3.15Å | ||
| 601 | E | 84.6 | Confident | 84.8 | Confident | 113 Ų | 113 | 58 Ų | 58 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -53.3 | -35.1 | -178.2 | -165 | -164.3 | 163.5 | 0 | 0 | 113.6 | S596 L603 I604 K605 | S596-E601 PolarHBondContact O-N 3.23Å; E601-L603 PolarHBondContact O-N 3.34Å; E601-I604 PolarHBondContact O-N 3.25Å; E601-K605 HydrophobicContact CG-CD 4.4Å; E601-K605 WeakPolarHBondContact O-CG 3.25Å; E601-K605 PolarHBondContact O-N 3.27Å; E601-K605 WeakPolarHBondContact OE1-CE 3.38Å; E601-K605 IonicContact OE1-NZ 2.58Å; E601-K605 PolarHBondContact OE1-NZ 2.94Å |
| 602 | A | 84.9 | Confident | 85.2 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G600 K605 Q606 | G600-A602 PolarHBondContact O-N 3.12Å; G600-A602 VanDerWaalsContact O-N 3.12Å; A602-K605 PolarHBondContact O-N 3.36Å; A602-Q606 PolarHBondContact O-N 3.26Å |
| 603 | L | 84.2 | Confident | 85.7 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.3 | -39.8 | -178.3 | -162.6 | 62.6 | 0 | 0 | 0 | 111 | L599 G600 E601 K605 Q606 L607 A618 Q621 M622 | L599-L603 HydrophobicContact CB-CD2 4.31Å; G600-L603 WeakPolarHBondContact O-CB 3.44Å; G600-L603 PolarHBondContact O-N 3.07Å; E601-L603 PolarHBondContact O-N 3.34Å; L603-K605 VanDerWaalsContact C-N 3.32Å; L603-K605 PolarHBondContact O-N 3.36Å; L603-Q606 PolarHBondContact O-N 3.27Å; L603-L607 PolarHBondContact O-N 3.27Å; L603-L607 VanDerWaalsContact O-N 3.13Å; L603-A618 HydrophobicContact CD1-CB 3.86Å; L603-Q621 HydrophobicContact CD1-CB 4.09Å; L603-Q621 HydrophobicContact CD1-CG 4.07Å; L603-Q621 HydrophobicContact CD2-CG 4.28Å; L603-M622 HydrophobicContact CD2-CG 3.54Å; L603-M622 HydrophobicContact CG-CG 4.03Å |
| 604 | I | 85.4 | Confident | 86 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 174 | -57.9 | -55.3 | 0 | 0 | 0 | 111.3 | A595 L599 G600 E601 L607 L645 | A595-I604 HydrophobicContact CB-CD1 3.74Å; A595-I604 HydrophobicContact CB-CG1 4.33Å; L599-I604 HydrophobicContact CB-CD1 4.21Å; L599-I604 HydrophobicContact CD1-CD1 4.04Å; G600-I604 PolarHBondContact O-N 3.15Å; E601-I604 PolarHBondContact O-N 3.25Å; I604-L607 HydrophobicContact CD1-CD1 4.22Å; I604-L607 WeakPolarHBondContact O-CB 3.38Å; I604-L607 PolarHBondContact O-N 2.96Å; I604-L645 HydrophobicContact CG2-CD1 4.04Å |
| 605 | K | 85.4 | Confident | 86.5 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 172.5 | -77.1 | 168.7 | 171.4 | 170.9 | 0 | 111.8 | E601 A602 L603 L607 S608 D609 | E601-K605 HydrophobicContact CG-CD 4.4Å; E601-K605 WeakPolarHBondContact O-CG 3.25Å; E601-K605 PolarHBondContact O-N 3.27Å; E601-K605 WeakPolarHBondContact OE1-CE 3.38Å; E601-K605 IonicContact OE1-NZ 2.58Å; E601-K605 PolarHBondContact OE1-NZ 2.94Å; A602-K605 PolarHBondContact O-N 3.36Å; L603-K605 VanDerWaalsContact C-N 3.32Å; L603-K605 PolarHBondContact O-N 3.36Å; K605-L607 VanDerWaalsContact C-N 3.28Å; K605-L607 PolarHBondContact O-N 3.43Å; K605-S608 PolarHBondContact O-N 3.48Å; K605-S608 PolarHBondContact O-OG 3.32Å; K605-D609 PolarHBondContact O-N 3Å |
| 606 | Q | 87.7 | Confident | 86.8 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -29.8 | 178.6 | -74.6 | 176.2 | -64.8 | 0 | 0 | 113.6 | A602 L603 S608 D609 E614 R615 A618 | A602-Q606 PolarHBondContact O-N 3.26Å; L603-Q606 PolarHBondContact O-N 3.27Å; Q606-S608 PolarHBondContact O-N 2.81Å; Q606-S608 VanDerWaalsContact O-N 3.1Å; Q606-D609 WeakPolarHBondContact O-CB 3.12Å; Q606-D609 PolarHBondContact O-N 3.38Å; Q606-D609 VanDerWaalsContact O-N 3.1Å; Q606-E614 PolarHBondContact NE2-OE2 3.3Å; Q606-R615 WeakPolarHBondContact O-CG 3.45Å; Q606-A618 HydrophobicContact CB-CB 3.67Å |
| 607 | L | 87.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.7 | 172.5 | -72.4 | 178 | 0 | 0 | 0 | 114.3 | L603 I604 K605 R615 A618 V619 M622 R660 | L603-L607 PolarHBondContact O-N 3.27Å; L603-L607 VanDerWaalsContact O-N 3.13Å; I604-L607 HydrophobicContact CD1-CD1 4.22Å; I604-L607 WeakPolarHBondContact O-CB 3.38Å; I604-L607 PolarHBondContact O-N 2.96Å; K605-L607 VanDerWaalsContact C-N 3.28Å; K605-L607 PolarHBondContact O-N 3.43Å; L607-R615 VanDerWaalsContact O-CD 3.31Å; L607-R615 WeakPolarHBondContact O-CD 3.31Å; L607-A618 HydrophobicContact CD2-CB 4.15Å; L607-V619 HydrophobicContact CD2-CG2 3.54Å; L607-M622 HydrophobicContact CD1-CE 4.44Å; L607-M622 HydrophobicContact CD1-SD 3.69Å; L607-M622 HydrophobicContact CD2-SD 3.72Å; L607-M622 HydrophobicContact CG-SD 3.98Å; L607-R660 PolarHBondContact O-NH2 3.06Å |
| 608 | S | 85.3 | Confident | 87.5 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 53% | 0.531 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -3 | -179.5 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | K605 Q606 | K605-S608 PolarHBondContact O-N 3.48Å; K605-S608 PolarHBondContact O-OG 3.32Å; Q606-S608 PolarHBondContact O-N 2.81Å; Q606-S608 VanDerWaalsContact O-N 3.1Å |
| 609 | D | 88.7 | Confident | 87.9 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | trans | -62.9 | 147.7 | -172.4 | -163.7 | -81.8 | 0 | 0 | 0 | 112.6 | K605 Q606 N611 E614 R615 | K605-D609 PolarHBondContact O-N 3Å; Q606-D609 WeakPolarHBondContact O-CB 3.12Å; Q606-D609 PolarHBondContact O-N 3.38Å; Q606-D609 VanDerWaalsContact O-N 3.1Å; D609-N611 VanDerWaalsContact C-N 3.31Å; D609-N611 PolarHBondContact O-N 3.4Å; D609-N611 WeakPolarHBondContact OD1-CB 3.17Å; D609-N611 PolarHBondContact OD1-N 2.69Å; D609-E614 HydrophobicContact CB-CB 3.95Å; D609-R615 HydrophobicContact CB-CG 4.49Å; D609-R615 WeakPolarHBondContact O-CD 3.21Å; D609-R615 VanDerWaalsContact O-CG 3.23Å; D609-R615 WeakPolarHBondContact O-CG 3.44Å; D609-R615 PolarHBondContact O-NH1 3Å | ||
| 610 | T | 86.5 | Confident | 88.3 | Confident | 136 Ų | 136 | 61 Ų | 61 | 83% | 0.834 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -61.3 | -37.5 | 177 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | W612 R615 | T610-W612 PolarHBondContact O-N 3.14Å; T610-R615 PolarHBondContact O-NH1 3.32Å |
| 611 | N | 89.7 | Confident | 88.6 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -74.1 | 113.8 | 176.4 | -179.3 | 8.7 | 0 | 0 | 0 | 110.2 | D609 K613 E614 R615 | D609-N611 VanDerWaalsContact C-N 3.31Å; D609-N611 PolarHBondContact O-N 3.4Å; D609-N611 WeakPolarHBondContact OD1-CB 3.17Å; D609-N611 PolarHBondContact OD1-N 2.69Å; N611-K613 PolarHBondContact O-N 2.88Å; N611-K613 VanDerWaalsContact O-N 3.13Å; N611-K613 WeakPolarHBondContact OD1-CB 3.41Å; N611-K613 PolarHBondContact OD1-N 2.9Å; N611-E614 HydrophobicContact CB-CB 4.45Å; N611-E614 HydrophobicContact CB-CG 3.94Å; N611-E614 PolarHBondContact O-N 3.46Å; N611-E614 VanDerWaalsContact O-N 3.15Å; N611-R615 PolarHBondContact O-N 2.93Å |
| 612 | W | 91.6 | Very high | 88.8 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -21.2 | 179.4 | 69.9 | -95.5 | 0 | 0 | 0 | 113.5 | T610 L616 N653 V656 | T610-W612 PolarHBondContact O-N 3.14Å; W612-L616 HydrophobicContact CZ3-CD2 4.01Å; W612-L616 WeakPolarHBondContact O-CB 3.32Å; W612-L616 PolarHBondContact O-N 2.97Å; W612-N653 HydrophobicContact CB-CB 4.12Å; W612-V656 HydrophobicContact CB-CG2 4.18Å; W612-V656 HydrophobicContact CE3-CG2 4.39Å; W612-V656 WeakPolarHBondContact O-CG2 3.2Å |
| 613 | K | 91.9 | Very high | 88.9 | Confident | 124 Ų | 124 | 57 Ų | 57 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 175.1 | -66.8 | -173.7 | 174.7 | -174.5 | 0 | 111.9 | N611 R615 L616 Q617 | N611-K613 PolarHBondContact O-N 2.88Å; N611-K613 VanDerWaalsContact O-N 3.13Å; N611-K613 WeakPolarHBondContact OD1-CB 3.41Å; N611-K613 PolarHBondContact OD1-N 2.9Å; K613-R615 VanDerWaalsContact C-N 3.32Å; K613-L616 PolarHBondContact O-N 3.02Å; K613-Q617 WeakPolarHBondContact O-CB 3.47Å; K613-Q617 PolarHBondContact O-N 2.94Å |
| 614 | E | 90.8 | Very high | 88.8 | Confident | 61 Ų | 61 | 60 Ų | 60 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 171.7 | -60.3 | -57.3 | 133.4 | 0 | 0 | 110.2 | Q606 D609 N611 L616 Q617 A618 | Q606-E614 PolarHBondContact NE2-OE2 3.3Å; D609-E614 HydrophobicContact CB-CB 3.95Å; N611-E614 HydrophobicContact CB-CB 4.45Å; N611-E614 HydrophobicContact CB-CG 3.94Å; N611-E614 PolarHBondContact O-N 3.46Å; N611-E614 VanDerWaalsContact O-N 3.15Å; E614-L616 VanDerWaalsContact C-N 3.33Å; E614-L616 PolarHBondContact O-N 3.3Å; E614-Q617 PolarHBondContact O-N 2.86Å; E614-A618 VanDerWaalsContact O-CB 3.27Å; E614-A618 WeakPolarHBondContact O-CB 3.49Å; E614-A618 PolarHBondContact O-N 3.26Å |
| 615 | R | 93 | Very high | 88.7 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 175.4 | -59.1 | -157.7 | -59.1 | -78 | 4.9 | 112.8 | Q606 L607 D609 T610 N611 K613 V619 D651 V656 | Q606-R615 WeakPolarHBondContact O-CG 3.45Å; L607-R615 VanDerWaalsContact O-CD 3.31Å; L607-R615 WeakPolarHBondContact O-CD 3.31Å; D609-R615 HydrophobicContact CB-CG 4.49Å; D609-R615 WeakPolarHBondContact O-CD 3.21Å; D609-R615 VanDerWaalsContact O-CG 3.23Å; D609-R615 WeakPolarHBondContact O-CG 3.44Å; D609-R615 PolarHBondContact O-NH1 3Å; T610-R615 PolarHBondContact O-NH1 3.32Å; N611-R615 PolarHBondContact O-N 2.93Å; K613-R615 VanDerWaalsContact C-N 3.32Å; R615-V619 VanDerWaalsContact O-CG2 3.29Å; R615-V619 WeakPolarHBondContact O-CG2 3.45Å; R615-V619 PolarHBondContact O-N 2.94Å; R615-D651 IonicContact CZ-OD1 2.73Å; R615-D651 IonicContact CZ-OD2 2.74Å; R615-D651 IonicContact NE-OD1 2.65Å; R615-D651 IonicContact NE-OD2 3.66Å; R615-D651 PolarHBondContact NE-OD2 2.96Å; R615-D651 IonicContact NH2-OD1 3.82Å; R615-D651 PolarHBondContact NH2-OD1 2.98Å; R615-D651 IonicContact NH2-OD2 3.23Å; R615-D651 PolarHBondContact NH2-OD2 3.32Å; R615-V656 HydrophobicContact CB-CG1 3.92Å; R615-V656 HydrophobicContact CB-CG2 4.28Å |
| 616 | L | 91.9 | Very high | 88.4 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -52.2 | 176.7 | -178 | 58.9 | 0 | 0 | 0 | 110.7 | W612 K613 E614 A618 V619 E620 Q655 V656 A659 | W612-L616 HydrophobicContact CZ3-CD2 4.01Å; W612-L616 WeakPolarHBondContact O-CB 3.32Å; W612-L616 PolarHBondContact O-N 2.97Å; K613-L616 PolarHBondContact O-N 3.02Å; E614-L616 VanDerWaalsContact C-N 3.33Å; E614-L616 PolarHBondContact O-N 3.3Å; L616-A618 VanDerWaalsContact C-N 3.26Å; L616-A618 PolarHBondContact O-N 3.21Å; L616-V619 PolarHBondContact O-N 3.33Å; L616-V619 VanDerWaalsContact O-N 3.07Å; L616-E620 HydrophobicContact CD1-CG 4.22Å; L616-E620 HydrophobicContact CG-CG 4.38Å; L616-E620 WeakPolarHBondContact O-CG 2.98Å; L616-E620 PolarHBondContact O-N 3.25Å; L616-Q655 HydrophobicContact CD2-CB 4.46Å; L616-V656 HydrophobicContact CB-CG2 4.07Å; L616-A659 HydrophobicContact CD1-CB 3.66Å |
| 617 | Q | 91.2 | Very high | 87.8 | Confident | 101 Ų | 101 | 60 Ų | 60 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.6 | -39.1 | 178.6 | -179.1 | 175.1 | -23.5 | 0 | 0 | 111.7 | K613 E614 E620 Q621 | K613-Q617 WeakPolarHBondContact O-CB 3.47Å; K613-Q617 PolarHBondContact O-N 2.94Å; E614-Q617 PolarHBondContact O-N 2.86Å; Q617-E620 PolarHBondContact O-N 2.58Å; Q617-Q621 VanDerWaalsContact O-CB 3.24Å; Q617-Q621 WeakPolarHBondContact O-CB 3.28Å; Q617-Q621 PolarHBondContact O-N 3.39Å |
| 618 | A | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L603 Q606 L607 E614 L616 M622 | L603-A618 HydrophobicContact CD1-CB 3.86Å; Q606-A618 HydrophobicContact CB-CB 3.67Å; L607-A618 HydrophobicContact CD2-CB 4.15Å; E614-A618 VanDerWaalsContact O-CB 3.27Å; E614-A618 WeakPolarHBondContact O-CB 3.49Å; E614-A618 PolarHBondContact O-N 3.26Å; L616-A618 VanDerWaalsContact C-N 3.26Å; L616-A618 PolarHBondContact O-N 3.21Å; A618-M622 WeakPolarHBondContact O-CB 3.13Å; A618-M622 VanDerWaalsContact O-CG 3.25Å; A618-M622 WeakPolarHBondContact O-CG 3.45Å; A618-M622 PolarHBondContact O-N 3.01Å |
| 619 | V | 91.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71 | -35.6 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | L607 R615 L616 M622 K623 V643 A659 R660 | L607-V619 HydrophobicContact CD2-CG2 3.54Å; R615-V619 VanDerWaalsContact O-CG2 3.29Å; R615-V619 WeakPolarHBondContact O-CG2 3.45Å; R615-V619 PolarHBondContact O-N 2.94Å; L616-V619 PolarHBondContact O-N 3.33Å; L616-V619 VanDerWaalsContact O-N 3.07Å; V619-M622 PolarHBondContact O-N 3.28Å; V619-K623 WeakPolarHBondContact O-CB 3.43Å; V619-K623 PolarHBondContact O-N 3.22Å; V619-V643 HydrophobicContact CG2-CG2 4.32Å; V619-A659 HydrophobicContact CB-CB 4.28Å; V619-A659 VanDerWaalsContact CG1-C 3.47Å; V619-A659 HydrophobicContact CG1-CB 3.7Å; V619-A659 WeakPolarHBondContact CG1-O 3.29Å; V619-R660 HydrophobicContact CG1-CG 4.36Å; V619-R660 HydrophobicContact CG2-CG 3.9Å |
| 620 | E | 90.8 | Very high | 85.6 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 174.2 | -72 | 174.9 | 170.5 | 0 | 0 | 111.6 | L616 Q617 K623 S624 | L616-E620 HydrophobicContact CD1-CG 4.22Å; L616-E620 HydrophobicContact CG-CG 4.38Å; L616-E620 WeakPolarHBondContact O-CG 2.98Å; L616-E620 PolarHBondContact O-N 3.25Å; Q617-E620 PolarHBondContact O-N 2.58Å; E620-K623 WeakPolarHBondContact O-CA 3.17Å; E620-K623 WeakPolarHBondContact O-CB 3.37Å; E620-K623 PolarHBondContact O-N 3.12Å; E620-K623 VanDerWaalsContact O-N 3.12Å; E620-S624 PolarHBondContact O-N 3.45Å |
| 621 | Q | 88.1 | Confident | 84.5 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 174 | -178.9 | 173.2 | -4.3 | 0 | 0 | 111.8 | L603 Q617 K623 S624 N625 | L603-Q621 HydrophobicContact CD1-CB 4.09Å; L603-Q621 HydrophobicContact CD1-CG 4.07Å; L603-Q621 HydrophobicContact CD2-CG 4.28Å; Q617-Q621 VanDerWaalsContact O-CB 3.24Å; Q617-Q621 WeakPolarHBondContact O-CB 3.28Å; Q617-Q621 PolarHBondContact O-N 3.39Å; Q621-K623 VanDerWaalsContact C-N 3.3Å; Q621-K623 PolarHBondContact O-N 3.05Å; Q621-S624 WeakPolarHBondContact CA-OG 3.45Å; Q621-S624 PolarHBondContact O-N 3.17Å; Q621-S624 PolarHBondContact O-OG 2.79Å; Q621-N625 PolarHBondContact O-N 2.9Å; Q621-N625 PolarHBondContact O-OD1 2.71Å; Q621-N625 VanDerWaalsContact O-OD1 3.1Å |
| 622 | M | 88.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 168.7 | -78.2 | 177.9 | 56.1 | 0 | 0 | 111.5 | L599 L603 L607 A618 V619 N625 I626 A642 V643 Y663 | L599-M622 HydrophobicContact CD1-CE 3.77Å; L599-M622 HydrophobicContact CD1-CG 4.25Å; L599-M622 HydrophobicContact CD1-SD 4.17Å; L603-M622 HydrophobicContact CD2-CG 3.54Å; L603-M622 HydrophobicContact CG-CG 4.03Å; L607-M622 HydrophobicContact CD1-CE 4.44Å; L607-M622 HydrophobicContact CD1-SD 3.69Å; L607-M622 HydrophobicContact CD2-SD 3.72Å; L607-M622 HydrophobicContact CG-SD 3.98Å; A618-M622 WeakPolarHBondContact O-CB 3.13Å; A618-M622 VanDerWaalsContact O-CG 3.25Å; A618-M622 WeakPolarHBondContact O-CG 3.45Å; A618-M622 PolarHBondContact O-N 3.01Å; V619-M622 PolarHBondContact O-N 3.28Å; M622-N625 PolarHBondContact O-N 2.71Å; M622-I626 VanDerWaalsContact O-CG1 3.27Å; M622-I626 WeakPolarHBondContact O-CG1 3.3Å; M622-I626 PolarHBondContact O-N 2.82Å; M622-A642 HydrophobicContact CE-CB 4.46Å; M622-V643 HydrophobicContact CE-CB 4.3Å; M622-V643 HydrophobicContact CE-CG2 4.44Å; M622-Y663 HydrophobicContact CB-CD2 3.99Å; M622-Y663 HydrophobicContact CB-CE2 3.63Å; M622-Y663 HydrophobicContact CE-CD2 4.47Å; M622-Y663 HydrophobicContact CE-CE1 3.89Å; M622-Y663 HydrophobicContact CE-CE2 3.76Å; M622-Y663 VanDerWaalsContact CE-OH 3.31Å; M622-Y663 WeakPolarHBondContact CE-OH 3.25Å |
| 623 | K | 87 | Confident | 81.8 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 23% | 0.226 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.2 | -161.5 | -179.9 | -172.7 | -175.1 | 0 | 111.7 | V619 E620 Q621 I626 E662 Y663 E666 | V619-K623 WeakPolarHBondContact O-CB 3.43Å; V619-K623 PolarHBondContact O-N 3.22Å; E620-K623 WeakPolarHBondContact O-CA 3.17Å; E620-K623 WeakPolarHBondContact O-CB 3.37Å; E620-K623 PolarHBondContact O-N 3.12Å; E620-K623 VanDerWaalsContact O-N 3.12Å; Q621-K623 VanDerWaalsContact C-N 3.3Å; Q621-K623 PolarHBondContact O-N 3.05Å; K623-I626 HydrophobicContact CG-CD1 4.45Å; K623-I626 PolarHBondContact O-N 3.08Å; K623-E662 IonicContact NZ-OE2 2.87Å; K623-E662 PolarHBondContact NZ-OE2 2.98Å; K623-Y663 HydrophobicContact CB-CD2 4.35Å; K623-E666 HydrophobicContact CD-CG 4.35Å; K623-E666 WeakPolarHBondContact CE-OE1 3.41Å; K623-E666 HydrophobicContact CG-CG 4.15Å; K623-E666 IonicContact NZ-OE1 3.85Å; K623-E666 PolarHBondContact NZ-OE1 3Å; K623-E666 VanDerWaalsContact NZ-OE1 3.12Å |
| 624 | S | 83.3 | Confident | 81 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 172.2 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | E620 Q621 I626 H627 | E620-S624 PolarHBondContact O-N 3.45Å; Q621-S624 WeakPolarHBondContact CA-OG 3.45Å; Q621-S624 PolarHBondContact O-N 3.17Å; Q621-S624 PolarHBondContact O-OG 2.79Å; S624-I626 VanDerWaalsContact C-N 3.28Å; S624-I626 PolarHBondContact O-N 2.72Å; S624-H627 PolarHBondContact O-N 2.97Å |
| 625 | N | 82.9 | Confident | 80.7 | Confident | 50 Ų | 50 | 59 Ų | 59 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.8 | -20.9 | -179.7 | -67.9 | 2 | 0 | 0 | 0 | 113.5 | Q621 M622 H627 S628 F629 | Q621-N625 PolarHBondContact O-N 2.9Å; Q621-N625 PolarHBondContact O-OD1 2.71Å; Q621-N625 VanDerWaalsContact O-OD1 3.1Å; M622-N625 PolarHBondContact O-N 2.71Å; N625-H627 VanDerWaalsContact C-N 3.26Å; N625-H627 PolarHBondContact O-N 3.37Å; N625-S628 PolarHBondContact O-OG 3.21Å; N625-F629 WeakPolarHBondContact O-CD2 3.48Å; N625-F629 WeakPolarHBondContact O-CE2 3.19Å |
| 626 | I | 79.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.2 | -32.3 | 177.9 | -32.1 | 167.3 | 0 | 0 | 0 | 111.1 | M622 K623 S624 S628 F629 Y663 E666 V667 L670 | M622-I626 VanDerWaalsContact O-CG1 3.27Å; M622-I626 WeakPolarHBondContact O-CG1 3.3Å; M622-I626 PolarHBondContact O-N 2.82Å; K623-I626 HydrophobicContact CG-CD1 4.45Å; K623-I626 PolarHBondContact O-N 3.08Å; S624-I626 VanDerWaalsContact C-N 3.28Å; S624-I626 PolarHBondContact O-N 2.72Å; I626-S628 PolarHBondContact O-N 3.12Å; I626-S628 VanDerWaalsContact O-N 3.15Å; I626-F629 PolarHBondContact O-N 3.49Å; I626-F629 VanDerWaalsContact O-N 3.15Å; I626-Y663 HydrophobicContact CD1-CD2 3.67Å; I626-Y663 HydrophobicContact CD1-CE2 3.62Å; I626-Y663 HydrophobicContact CD1-CG 4.47Å; I626-Y663 HydrophobicContact CG1-CD2 4.19Å; I626-Y663 HydrophobicContact CG1-CE2 3.7Å; I626-E666 HydrophobicContact CD1-CB 3.64Å; I626-E666 HydrophobicContact CD1-CG 4.39Å; I626-V667 HydrophobicContact CD1-CG2 3.8Å; I626-V667 HydrophobicContact CG1-CG2 4.41Å; I626-V667 HydrophobicContact CG2-CG2 4.25Å; I626-L670 HydrophobicContact CB-CD1 4.26Å; I626-L670 HydrophobicContact CG2-CD1 3.5Å; I626-L670 VanDerWaalsContact CG2-CD1 3.5Å |
| 627 | H | 75.2 | Confident | 80 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 61% | 0.606 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.9 | -174.4 | -65.4 | -60.4 | 0 | 0 | 0 | 114.7 | S624 N625 | S624-H627 PolarHBondContact O-N 2.97Å; N625-H627 VanDerWaalsContact C-N 3.26Å; N625-H627 PolarHBondContact O-N 3.37Å |
| 628 | S | 76.3 | Confident | 79.8 | Confident | 97 Ų | 97 | 54.9 Ų | 54.9 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.3 | 170.9 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | N625 I626 | N625-S628 PolarHBondContact O-OG 3.21Å; I626-S628 PolarHBondContact O-N 3.12Å; I626-S628 VanDerWaalsContact O-N 3.15Å |
| 629 | F | 72.5 | Confident | 79.6 | Confident | 55 Ų | 55 | 55 Ų | 55 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -87 | 137.4 | 177.5 | -67.6 | -88.8 | 0 | 0 | 0 | 111.9 | L598 N625 I626 V634 | L598-F629 HydrophobicContact CD1-CE1 3.99Å; L598-F629 HydrophobicContact CD1-CZ 3.95Å; L598-F629 HydrophobicContact CD2-CZ 4.09Å; L598-F629 HydrophobicContact CG-CZ 3.99Å; N625-F629 WeakPolarHBondContact O-CD2 3.48Å; N625-F629 WeakPolarHBondContact O-CE2 3.19Å; I626-F629 PolarHBondContact O-N 3.49Å; I626-F629 VanDerWaalsContact O-N 3.15Å; F629-V634 HydrophobicContact CB-CG2 4Å |
| 630 | I | 65.5 | Low | 79.5 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 66% | 0.662 | 30% | 0.303 | S | S | * | . | trans | -78.3 | 137.1 | 170.9 | -57.3 | 175.1 | 0 | 0 | 0 | 108.4 | S632 D633 | I630-S632 PolarHBondContact O-N 3.35Å; I630-D633 PolarHBondContact O-N 2.78Å | ||
| 631 | S | 63.5 | Low | 79.3 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.8 | -168.2 | -43.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 632 | S | 60.5 | Low | 79.2 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 54% | 0.538 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -36.3 | 174.5 | 40.2 | 0 | 0 | 0 | 0 | 113.6 | I630 | I630-S632 PolarHBondContact O-N 3.35Š|
| 633 | D | 64.5 | Low | 79.1 | Confident | 123 Ų | 123 | 47.8 Ų | 47.8 | 66% | 0.658 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -117.4 | 18.8 | -160.9 | -58.1 | -73.4 | 0 | 0 | 0 | 113 | I630 P635 | I630-D633 PolarHBondContact O-N 2.78Å; D633-P635 VanDerWaalsContact O-CD 3.31Å; D633-P635 WeakPolarHBondContact O-CD 3.41Å |
| 634 | V | 75.4 | Confident | 79.1 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | trans | -67.1 | 119.4 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | F629 V636 L639 L670 | F629-V634 HydrophobicContact CB-CG2 4Å; V634-V636 HydrophobicContact CB-CG2 4.39Å; V634-V636 HydrophobicContact CG1-CG2 4.17Å; V634-V636 WeakPolarHBondContact O-CG2 3.39Å; V634-V636 PolarHBondContact O-N 2.89Å; V634-L639 HydrophobicContact CG1-CD1 3.59Å; V634-L670 HydrophobicContact CG2-CB 4.3Å | ||
| 635 | P | 83.6 | Confident | 79.1 | Confident | 35 Ų | 35 | 45 Ų | 45 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | trans | -79.8 | 68.1 | 179.8 | 31.3 | -33.6 | 0 | 0 | 0 | 111.6 | L598 D633 Q637 I638 L639 | L598-P635 HydrophobicContact CD1-CG 4.13Å; L598-P635 HydrophobicContact CD2-CG 3.52Å; L598-P635 HydrophobicContact CG-CG 4.5Å; D633-P635 VanDerWaalsContact O-CD 3.31Å; D633-P635 WeakPolarHBondContact O-CD 3.41Å; P635-Q637 VanDerWaalsContact C-N 3.35Å; P635-Q637 PolarHBondContact O-N 3.45Å; P635-I638 HydrophobicContact CB-CB 4.43Å; P635-I638 HydrophobicContact CB-CD1 4.23Å; P635-I638 PolarHBondContact O-N 2.74Å; P635-L639 HydrophobicContact CG-CD1 4.25Å; P635-L639 HydrophobicContact CG-CG 4.18Å; P635-L639 PolarHBondContact O-N 3.35Å | ||
| 636 | V | 84.9 | Confident | 78.9 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -48.6 | -48.5 | -169.8 | -173.1 | 0 | 0 | 0 | 0 | 112.9 | V634 I638 L639 C640 V667 I674 L678 | V634-V636 HydrophobicContact CB-CG2 4.39Å; V634-V636 HydrophobicContact CG1-CG2 4.17Å; V634-V636 WeakPolarHBondContact O-CG2 3.39Å; V634-V636 PolarHBondContact O-N 2.89Å; V636-I638 VanDerWaalsContact C-N 3.35Å; V636-I638 PolarHBondContact O-N 2.84Å; V636-L639 PolarHBondContact O-N 3.33Å; V636-C640 VanDerWaalsContact O-CB 3.26Å; V636-C640 WeakPolarHBondContact O-CB 3.27Å; V636-C640 PolarHBondContact O-N 2.94Å; V636-C640 PolarHBondContact O-SG 3.18Å; V636-V667 HydrophobicContact CG1-CG1 4.08Å; V636-I674 HydrophobicContact CG1-CG1 4.46Å; V636-L678 HydrophobicContact CB-CD2 4.47Å; V636-L678 HydrophobicContact CG1-CD2 3.8Å |
| 637 | Q | 86.3 | Confident | 79 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | -178.8 | -169 | -169.8 | 104.3 | 0 | 0 | 112.4 | E583 N584 L586 P635 R641 L678 | E583-Q637 VanDerWaalsContact CG-NE2 3.3Å; E583-Q637 PolarHBondContact OE1-NE2 3.46Å; N584-Q637 PolarHBondContact O-NE2 2.7Å; L586-Q637 VanDerWaalsContact CG-OE1 3.28Å; P635-Q637 VanDerWaalsContact C-N 3.35Å; P635-Q637 PolarHBondContact O-N 3.45Å; Q637-R641 VanDerWaalsContact O-CB 3.31Å; Q637-R641 WeakPolarHBondContact O-CB 3.45Å; Q637-R641 WeakPolarHBondContact O-CG 3.5Å; Q637-R641 PolarHBondContact O-N 3.02Å; Q637-L678 HydrophobicContact CB-CD2 4.23Å; Q637-L678 HydrophobicContact CG-CD1 4.26Å |
| 638 | I | 85.3 | Confident | 79.5 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71 | -48 | -178.2 | -61.8 | 166.2 | 0 | 0 | 0 | 109.2 | L586 K594 A595 P635 V636 C640 R641 A642 | L586-I638 HydrophobicContact CD1-CD1 4.21Å; L586-I638 HydrophobicContact CD1-CG1 3.86Å; K594-I638 HydrophobicContact CB-CD1 3.96Å; K594-I638 HydrophobicContact CB-CG2 4.26Å; K594-I638 HydrophobicContact CD-CD1 3.99Å; A595-I638 HydrophobicContact CB-CG2 4.15Å; P635-I638 HydrophobicContact CB-CB 4.43Å; P635-I638 HydrophobicContact CB-CD1 4.23Å; P635-I638 PolarHBondContact O-N 2.74Å; V636-I638 VanDerWaalsContact C-N 3.35Å; V636-I638 PolarHBondContact O-N 2.84Å; I638-C640 PolarHBondContact O-N 3.47Å; I638-R641 PolarHBondContact O-N 3.42Å; I638-A642 VanDerWaalsContact O-CB 3.24Å; I638-A642 WeakPolarHBondContact O-CB 3.42Å; I638-A642 PolarHBondContact O-N 2.95Å |
| 639 | L | 87.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 178.5 | -69.3 | 174.2 | 0 | 0 | 0 | 112.1 | L598 L599 V634 P635 V636 Y663 V667 | L598-L639 HydrophobicContact CD2-CD2 3.6Å; L598-L639 HydrophobicContact CD2-CG 4.17Å; L599-L639 HydrophobicContact CD1-CD2 4.42Å; L599-L639 HydrophobicContact CD2-CD2 4.26Å; V634-L639 HydrophobicContact CG1-CD1 3.59Å; P635-L639 HydrophobicContact CG-CD1 4.25Å; P635-L639 HydrophobicContact CG-CG 4.18Å; P635-L639 PolarHBondContact O-N 3.35Å; V636-L639 PolarHBondContact O-N 3.33Å; L639-Y663 WeakPolarHBondContact CD2-OH 3.42Å; L639-Y663 WeakPolarHBondContact O-CE1 3.29Å; L639-Y663 PolarHBondContact O-OH 3.19Å; L639-V667 HydrophobicContact CB-CG1 3.93Å; L639-V667 HydrophobicContact CB-CG2 4.1Å; L639-V667 HydrophobicContact CD1-CG1 4.18Å; L639-V667 HydrophobicContact CD1-CG2 4.43Å |
| 640 | C | 88.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 179.3 | -76.5 | 0 | 0 | 0 | 0 | 112.6 | V636 I638 L644 L678 L682 | V636-C640 VanDerWaalsContact O-CB 3.26Å; V636-C640 WeakPolarHBondContact O-CB 3.27Å; V636-C640 PolarHBondContact O-N 2.94Å; V636-C640 PolarHBondContact O-SG 3.18Å; I638-C640 PolarHBondContact O-N 3.47Å; C640-L644 WeakPolarHBondContact O-CG 3.36Å; C640-L678 HydrophobicContact CB-CD1 4.31Å; C640-L678 HydrophobicContact CB-CD2 4.49Å; C640-L682 HydrophobicContact CB-CD1 4.37Å; C640-L682 HydrophobicContact CB-CD2 4.45Å |
| 641 | R | 87.5 | Confident | 81.5 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 15% | 0.151 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.4 | -25.5 | 180 | -67 | -177.9 | 67.7 | -172.6 | -10.1 | 113.7 | L586 I591 Q637 I638 V643 L644 L645 L678 L681 | L586-R641 VanDerWaalsContact O-CZ 3.32Å; L586-R641 PolarHBondContact O-NH1 3.01Å; L586-R641 PolarHBondContact O-NH2 3.29Å; L586-R641 VanDerWaalsContact O-NH2 3.16Å; I591-R641 HydrophobicContact CD1-CB 3.84Å; I591-R641 HydrophobicContact CD1-CG 4.3Å; I591-R641 HydrophobicContact CG2-CB 4.03Å; Q637-R641 VanDerWaalsContact O-CB 3.31Å; Q637-R641 WeakPolarHBondContact O-CB 3.45Å; Q637-R641 WeakPolarHBondContact O-CG 3.5Å; Q637-R641 PolarHBondContact O-N 3.02Å; I638-R641 PolarHBondContact O-N 3.42Å; R641-V643 VanDerWaalsContact C-N 3.3Å; R641-V643 PolarHBondContact O-N 3.19Å; R641-L644 HydrophobicContact CG-CD1 4.39Å; R641-L644 WeakPolarHBondContact O-CB 3.33Å; R641-L644 PolarHBondContact O-N 2.95Å; R641-L644 VanDerWaalsContact O-N 3.08Å; R641-L645 PolarHBondContact O-N 3.41Å; R641-L678 HydrophobicContact CG-CD1 4.21Å; R641-L681 VanDerWaalsContact CD-CD2 3.48Å; R641-L681 HydrophobicContact CG-CD2 4.07Å; R641-L681 VanDerWaalsContact NE-CD2 3.35Å |
| 642 | A | 84.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A595 L599 M622 I638 L644 L645 | A595-A642 HydrophobicContact CB-CB 3.72Å; L599-A642 HydrophobicContact CD1-CB 4.35Å; M622-A642 HydrophobicContact CE-CB 4.46Å; I638-A642 VanDerWaalsContact O-CB 3.24Å; I638-A642 WeakPolarHBondContact O-CB 3.42Å; I638-A642 PolarHBondContact O-N 2.95Å; A642-L644 PolarHBondContact O-N 3.3Å; A642-L645 VanDerWaalsContact O-CB 3.29Å; A642-L645 WeakPolarHBondContact O-CB 3.26Å; A642-L645 VanDerWaalsContact O-CG 3.3Å; A642-L645 WeakPolarHBondContact O-CG 3.49Å; A642-L645 PolarHBondContact O-N 3.46Å; A642-L645 VanDerWaalsContact O-N 3.14Å |
| 643 | V | 87.1 | Confident | 84 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.2 | 178.4 | 89.5 | 0 | 0 | 0 | 0 | 113.5 | V619 M622 R641 R660 Y663 I664 | V619-V643 HydrophobicContact CG2-CG2 4.32Å; M622-V643 HydrophobicContact CE-CB 4.3Å; M622-V643 HydrophobicContact CE-CG2 4.44Å; R641-V643 VanDerWaalsContact C-N 3.3Å; R641-V643 PolarHBondContact O-N 3.19Å; V643-R660 HydrophobicContact CG2-CB 3.86Å; V643-R660 HydrophobicContact CG2-CG 3.68Å; V643-R660 PolarHBondContact O-NH1 3.22Å; V643-Y663 HydrophobicContact CB-CD1 3.76Å; V643-Y663 HydrophobicContact CB-CE1 3.81Å; V643-Y663 HydrophobicContact CG1-CD1 3.79Å; V643-Y663 HydrophobicContact CG1-CE1 4.04Å; V643-Y663 HydrophobicContact CG2-CD1 3.86Å; V643-Y663 HydrophobicContact CG2-CE1 4.3Å; V643-Y663 HydrophobicContact CG2-CG 4.38Å; V643-I664 HydrophobicContact CG1-CD1 3.98Å; V643-I664 HydrophobicContact CG1-CG1 3.77Å |
| 644 | L | 85.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.5 | 171.8 | -59.1 | 179.5 | 0 | 0 | 0 | 113.3 | C640 R641 A642 K646 G648 I649 L682 | C640-L644 WeakPolarHBondContact O-CG 3.36Å; R641-L644 HydrophobicContact CG-CD1 4.39Å; R641-L644 WeakPolarHBondContact O-CB 3.33Å; R641-L644 PolarHBondContact O-N 2.95Å; R641-L644 VanDerWaalsContact O-N 3.08Å; A642-L644 PolarHBondContact O-N 3.3Å; L644-K646 PolarHBondContact O-N 2.9Å; L644-G648 VanDerWaalsContact O-CA 3.3Å; L644-G648 WeakPolarHBondContact O-CA 3.5Å; L644-I649 HydrophobicContact CD2-CD1 3.46Å; L644-I649 VanDerWaalsContact CD2-CD1 3.46Å; L644-I649 HydrophobicContact CD2-CG1 3.69Å; L644-L682 HydrophobicContact CD1-CD2 4.02Å |
| 645 | L | 83.7 | Confident | 85.9 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -56 | 138.2 | 175.8 | -66 | 172.7 | 0 | 0 | 0 | 110.2 | E588 I604 R641 A642 G648 R660 | E588-L645 HydrophobicContact CG-CD2 4.2Å; I604-L645 HydrophobicContact CG2-CD1 4.04Å; R641-L645 PolarHBondContact O-N 3.41Å; A642-L645 VanDerWaalsContact O-CB 3.29Å; A642-L645 WeakPolarHBondContact O-CB 3.26Å; A642-L645 VanDerWaalsContact O-CG 3.3Å; A642-L645 WeakPolarHBondContact O-CG 3.49Å; A642-L645 PolarHBondContact O-N 3.46Å; A642-L645 VanDerWaalsContact O-N 3.14Å; L645-G648 PolarHBondContact O-N 3.32Å; L645-R660 PolarHBondContact O-NH1 3.28Å; L645-R660 VanDerWaalsContact O-NH1 3.15Å |
| 646 | K | 79.3 | Confident | 86.4 | Confident | 143 Ų | 143 | 39.7 Ų | 39.7 | 62% | 0.622 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126 | -163 | -60.4 | 177.4 | -178.9 | 85.4 | 0 | 110.3 | E588 L644 | E588-K646 VanDerWaalsContact CD-NZ 3.28Å; E588-K646 IonicContact OE1-NZ 3.87Å; E588-K646 PolarHBondContact OE1-NZ 2.86Å; E588-K646 IonicContact OE2-NZ 2.77Å; E588-K646 PolarHBondContact OE2-NZ 3.34Å; E588-K646 VanDerWaalsContact OE2-NZ 3.16Å; L644-K646 PolarHBondContact O-N 2.9Å |
| 647 | P | 80.5 | Confident | 86.7 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.1 | -7.5 | 16.7 | 33.5 | -38.8 | 0 | 0 | 0 | 117.3 | K650 D651 | P647-K650 CarbonylContact O-C 3.42Å; P647-K650 WeakPolarHBondContact O-CA 3.35Å; P647-K650 WeakPolarHBondContact O-CB 3.41Å; P647-K650 PolarHBondContact O-N 2.86Å; P647-K650 VanDerWaalsContact O-N 3.08Å; P647-D651 HydrophobicContact CB-CB 4.32Å; P647-D651 HydrophobicContact CG-CB 3.94Å; P647-D651 VanDerWaalsContact CG-OD2 3.31Å; P647-D651 WeakPolarHBondContact CG-OD2 3.47Å |
| 648 | G | 85.9 | Confident | 87 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | 57.2 | -143.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L644 L645 K650 D651 R660 | L644-G648 VanDerWaalsContact O-CA 3.3Å; L644-G648 WeakPolarHBondContact O-CA 3.5Å; L645-G648 PolarHBondContact O-N 3.32Å; G648-K650 PolarHBondContact O-N 2.98Å; G648-D651 PolarHBondContact O-N 3.36Å; G648-R660 VanDerWaalsContact O-CD 3.26Å; G648-R660 WeakPolarHBondContact O-CD 3.44Å; G648-R660 PolarHBondContact O-NE 3.46Å |
| 649 | I | 84.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -67.6 | 1.4 | 174.4 | -68.6 | 172.4 | 0 | 0 | 0 | 112.4 | L644 L657 I664 D685 L686 K689 | L644-I649 HydrophobicContact CD2-CD1 3.46Å; L644-I649 VanDerWaalsContact CD2-CD1 3.46Å; L644-I649 HydrophobicContact CD2-CG1 3.69Å; I649-L657 HydrophobicContact CB-CD1 4.37Å; I649-L657 HydrophobicContact CG2-CD1 4.11Å; I649-L657 WeakPolarHBondContact O-CD1 3.08Å; I649-I664 HydrophobicContact CD1-CD1 3.95Å; I649-D685 HydrophobicContact CB-CB 4.15Å; I649-D685 HydrophobicContact CD1-CB 4.05Å; I649-D685 HydrophobicContact CG2-CB 4.01Å; I649-D685 WeakPolarHBondContact CG2-O 3.27Å; I649-L686 HydrophobicContact CD1-CD2 4.22Å; I649-K689 HydrophobicContact CG2-CD 4.48Å; I649-K689 HydrophobicContact CG2-CG 3.57Å; I649-K689 WeakPolarHBondContact O-CE 3.32Å |
| 650 | K | 85.4 | Confident | 87.6 | Confident | 123 Ų | 123 | 42.8 Ų | 42.8 | 54% | 0.535 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -105.3 | 15.4 | 176.4 | -59.2 | 176.5 | 179.2 | 90.1 | 0 | 112.5 | P647 G648 D685 | P647-K650 CarbonylContact O-C 3.42Å; P647-K650 WeakPolarHBondContact O-CA 3.35Å; P647-K650 WeakPolarHBondContact O-CB 3.41Å; P647-K650 PolarHBondContact O-N 2.86Å; P647-K650 VanDerWaalsContact O-N 3.08Å; G648-K650 PolarHBondContact O-N 2.98Å; K650-D685 WeakPolarHBondContact CE-OD1 3.44Å; K650-D685 IonicContact NZ-OD1 2.75Å; K650-D685 PolarHBondContact NZ-OD1 2.95Å; K650-D685 IonicContact NZ-OD2 2.68Å; K650-D685 PolarHBondContact NZ-OD2 2.98Å |
| 651 | D | 87.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | trans | -59.2 | 135.3 | 170.2 | -155.1 | -47.6 | 0 | 0 | 0 | 111.4 | R615 P647 G648 N653 V656 R660 | R615-D651 IonicContact CZ-OD1 2.73Å; R615-D651 IonicContact CZ-OD2 2.74Å; R615-D651 IonicContact NE-OD1 2.65Å; R615-D651 IonicContact NE-OD2 3.66Å; R615-D651 PolarHBondContact NE-OD2 2.96Å; R615-D651 IonicContact NH2-OD1 3.82Å; R615-D651 PolarHBondContact NH2-OD1 2.98Å; R615-D651 IonicContact NH2-OD2 3.23Å; R615-D651 PolarHBondContact NH2-OD2 3.32Å; P647-D651 HydrophobicContact CB-CB 4.32Å; P647-D651 HydrophobicContact CG-CB 3.94Å; P647-D651 VanDerWaalsContact CG-OD2 3.31Å; P647-D651 WeakPolarHBondContact CG-OD2 3.47Å; G648-D651 PolarHBondContact O-N 3.36Å; D651-N653 PolarHBondContact OD1-N 2.54Å; D651-N653 VanDerWaalsContact OD1-N 3.07Å; D651-V656 VanDerWaalsContact OD2-CG1 3.25Å; D651-V656 WeakPolarHBondContact OD2-CG1 2.99Å; D651-R660 IonicContact OD2-NE 3.73Å; D651-R660 IonicContact OD2-NH2 2.8Å; D651-R660 PolarHBondContact OD2-NH2 3.07Å | ||
| 652 | T | 85.4 | Confident | 88 | Confident | 140 Ų | 140 | 43.4 Ų | 43.4 | 86% | 0.859 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -82.4 | -16.5 | -177.3 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 653 | N | 90.5 | Very high | 88.3 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | trans | -88.6 | 115.9 | 173.6 | -172.2 | -42.2 | 0 | 0 | 0 | 110.4 | W612 D651 Q655 V656 L657 | W612-N653 HydrophobicContact CB-CB 4.12Å; D651-N653 PolarHBondContact OD1-N 2.54Å; D651-N653 VanDerWaalsContact OD1-N 3.07Å; N653-Q655 PolarHBondContact O-N 3.21Å; N653-Q655 WeakPolarHBondContact OD1-CB 3.45Å; N653-Q655 PolarHBondContact OD1-N 2.78Å; N653-V656 HydrophobicContact CB-CB 4.34Å; N653-V656 HydrophobicContact CB-CG2 3.93Å; N653-V656 PolarHBondContact O-N 3Å; N653-L657 WeakPolarHBondContact O-CB 3.28Å; N653-L657 PolarHBondContact O-N 2.97Å | ||
| 654 | F | 89.5 | Confident | 88.5 | Confident | 88 Ų | 88 | 43.5 Ų | 43.5 | 39% | 0.386 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.4 | -25.7 | -178.5 | 77 | -89.2 | 0 | 0 | 0 | 114.5 | R658 K694 | F654-R658 WeakPolarHBondContact O-CB 3.26Å; F654-R658 PolarHBondContact O-N 2.89Å; F654-K694 HydrophobicContact CB-CD 3.98Å; F654-K694 HydrophobicContact CD1-CD 4.03Å; F654-K694 HydrophobicContact CD2-CB 4.21Å; F654-K694 HydrophobicContact CD2-CD 3.42Å; F654-K694 VanDerWaalsContact CD2-CD 3.42Å; F654-K694 HydrophobicContact CD2-CG 4.45Å; F654-K694 HydrophobicContact CE1-CD 4.4Å; F654-K694 VanDerWaalsContact CE1-NZ 3.26Å; F654-K694 HydrophobicContact CE2-CD 3.83Å; F654-K694 HydrophobicContact CG-CD 3.52Å; F654-K694 HydrophobicContact CZ-CD 4.3Å |
| 655 | Q | 90.8 | Very high | 88.7 | Confident | 85 Ų | 85 | 41.9 Ų | 41.9 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.5 | -46.5 | 176.1 | -63.6 | -179.1 | -29.8 | 0 | 0 | 110.4 | L616 N653 R658 A659 | L616-Q655 HydrophobicContact CD2-CB 4.46Å; N653-Q655 PolarHBondContact O-N 3.21Å; N653-Q655 WeakPolarHBondContact OD1-CB 3.45Å; N653-Q655 PolarHBondContact OD1-N 2.78Å; Q655-R658 PolarHBondContact O-N 3.32Å; Q655-A659 WeakPolarHBondContact O-CB 3.49Å; Q655-A659 PolarHBondContact O-N 3.01Å |
| 656 | V | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 174.1 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | W612 R615 L616 D651 N653 R658 A659 R660 | W612-V656 HydrophobicContact CB-CG2 4.18Å; W612-V656 HydrophobicContact CE3-CG2 4.39Å; W612-V656 WeakPolarHBondContact O-CG2 3.2Å; R615-V656 HydrophobicContact CB-CG1 3.92Å; R615-V656 HydrophobicContact CB-CG2 4.28Å; L616-V656 HydrophobicContact CB-CG2 4.07Å; D651-V656 VanDerWaalsContact OD2-CG1 3.25Å; D651-V656 WeakPolarHBondContact OD2-CG1 2.99Å; N653-V656 HydrophobicContact CB-CB 4.34Å; N653-V656 HydrophobicContact CB-CG2 3.93Å; N653-V656 PolarHBondContact O-N 3Å; V656-R658 VanDerWaalsContact C-N 3.31Å; V656-R658 PolarHBondContact O-N 3.28Å; V656-A659 PolarHBondContact O-N 2.97Å; V656-A659 VanDerWaalsContact O-N 3.17Å; V656-R660 HydrophobicContact CG1-CG 4.45Å; V656-R660 WeakPolarHBondContact O-CG 3.5Å; V656-R660 PolarHBondContact O-N 3.03Å |
| 657 | L | 91.7 | Very high | 89.3 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.9 | -44.5 | 177.2 | 178.8 | 58.9 | 0 | 0 | 0 | 111.8 | I649 N653 R660 I661 V695 | I649-L657 HydrophobicContact CB-CD1 4.37Å; I649-L657 HydrophobicContact CG2-CD1 4.11Å; I649-L657 WeakPolarHBondContact O-CD1 3.08Å; N653-L657 WeakPolarHBondContact O-CB 3.28Å; N653-L657 PolarHBondContact O-N 2.97Å; L657-R660 PolarHBondContact O-N 3.4Å; L657-I661 HydrophobicContact CD1-CD1 4.02Å; L657-I661 HydrophobicContact CD1-CG1 4.48Å; L657-I661 HydrophobicContact CG-CD1 4.2Å; L657-I661 WeakPolarHBondContact O-CG1 3.11Å; L657-I661 PolarHBondContact O-N 3.17Å; L657-V695 HydrophobicContact CD2-CG2 4.18Å; L657-V695 HydrophobicContact CG-CG1 4.33Å; L657-V695 HydrophobicContact CG-CG2 4.45Å |
| 658 | R | 93.1 | Very high | 89.6 | Confident | 106 Ų | 106 | 34.4 Ų | 34.4 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 175.1 | -171.4 | 173.8 | 172.2 | 121.6 | 0.4 | 111.2 | F654 Q655 V656 R660 I661 E662 K694 V695 V698 | F654-R658 WeakPolarHBondContact O-CB 3.26Å; F654-R658 PolarHBondContact O-N 2.89Å; Q655-R658 PolarHBondContact O-N 3.32Å; V656-R658 VanDerWaalsContact C-N 3.31Å; V656-R658 PolarHBondContact O-N 3.28Å; R658-R660 VanDerWaalsContact C-N 3.28Å; R658-R660 PolarHBondContact O-N 3.33Å; R658-I661 PolarHBondContact O-N 3.33Å; R658-I661 VanDerWaalsContact O-N 3.12Å; R658-E662 HydrophobicContact CG-CG 4.27Å; R658-E662 IonicContact CZ-OE1 3.65Å; R658-E662 IonicContact NE-OE1 3.69Å; R658-E662 PolarHBondContact NE-OE1 2.9Å; R658-E662 IonicContact NH2-OE1 2.71Å; R658-E662 PolarHBondContact NH2-OE1 3.38Å; R658-E662 WeakPolarHBondContact O-CG 3.42Å; R658-E662 PolarHBondContact O-N 3.11Å; R658-K694 PolarHBondContact NH1-O 3.13Å; R658-V695 HydrophobicContact CB-CG1 3.72Å; R658-V695 HydrophobicContact CG-CG1 4.22Å; R658-V698 HydrophobicContact CG-CG2 4.32Å |
| 659 | A | 91.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L616 V619 Q655 V656 I661 E662 Y663 | L616-A659 HydrophobicContact CD1-CB 3.66Å; V619-A659 HydrophobicContact CB-CB 4.28Å; V619-A659 VanDerWaalsContact CG1-C 3.47Å; V619-A659 HydrophobicContact CG1-CB 3.7Å; V619-A659 WeakPolarHBondContact CG1-O 3.29Å; Q655-A659 WeakPolarHBondContact O-CB 3.49Å; Q655-A659 PolarHBondContact O-N 3.01Å; V656-A659 PolarHBondContact O-N 2.97Å; V656-A659 VanDerWaalsContact O-N 3.17Å; A659-I661 PolarHBondContact O-N 2.98Å; A659-E662 PolarHBondContact O-N 2.68Å; A659-Y663 VanDerWaalsContact O-CB 3.24Å; A659-Y663 WeakPolarHBondContact O-CB 3.44Å; A659-Y663 PolarHBondContact O-N 2.91Å |
| 660 | R | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.8 | -65.7 | -171.4 | -170 | -118.2 | 2 | 112.4 | L607 V619 V643 L645 G648 D651 V656 L657 R658 I664 | L607-R660 PolarHBondContact O-NH2 3.06Å; V619-R660 HydrophobicContact CG1-CG 4.36Å; V619-R660 HydrophobicContact CG2-CG 3.9Å; V643-R660 HydrophobicContact CG2-CB 3.86Å; V643-R660 HydrophobicContact CG2-CG 3.68Å; V643-R660 PolarHBondContact O-NH1 3.22Å; L645-R660 PolarHBondContact O-NH1 3.28Å; L645-R660 VanDerWaalsContact O-NH1 3.15Å; G648-R660 VanDerWaalsContact O-CD 3.26Å; G648-R660 WeakPolarHBondContact O-CD 3.44Å; G648-R660 PolarHBondContact O-NE 3.46Å; D651-R660 IonicContact OD2-NE 3.73Å; D651-R660 IonicContact OD2-NH2 2.8Å; D651-R660 PolarHBondContact OD2-NH2 3.07Å; V656-R660 HydrophobicContact CG1-CG 4.45Å; V656-R660 WeakPolarHBondContact O-CG 3.5Å; V656-R660 PolarHBondContact O-N 3.03Å; L657-R660 PolarHBondContact O-N 3.4Å; R658-R660 VanDerWaalsContact C-N 3.28Å; R658-R660 PolarHBondContact O-N 3.33Å; R660-I664 WeakPolarHBondContact O-CG1 3.34Å; R660-I664 PolarHBondContact O-N 3.46Å; R660-I664 VanDerWaalsContact O-N 3.1Å |
| 661 | I | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.8 | -33.2 | 179.2 | -56.7 | 167.9 | 0 | 0 | 0 | 111.1 | L657 R658 A659 I664 N665 L686 V695 V698 A702 | L657-I661 HydrophobicContact CD1-CD1 4.02Å; L657-I661 HydrophobicContact CD1-CG1 4.48Å; L657-I661 HydrophobicContact CG-CD1 4.2Å; L657-I661 WeakPolarHBondContact O-CG1 3.11Å; L657-I661 PolarHBondContact O-N 3.17Å; R658-I661 PolarHBondContact O-N 3.33Å; R658-I661 VanDerWaalsContact O-N 3.12Å; A659-I661 PolarHBondContact O-N 2.98Å; I661-I664 PolarHBondContact O-N 2.94Å; I661-N665 PolarHBondContact O-N 3.12Å; I661-N665 PolarHBondContact O-ND2 3.11Å; I661-L686 HydrophobicContact CG2-CD2 4.15Å; I661-V695 HydrophobicContact CD1-CB 4.2Å; I661-V695 HydrophobicContact CD1-CG2 4.05Å; I661-V698 HydrophobicContact CB-CG1 4.31Å; I661-V698 HydrophobicContact CG2-CB 4.4Å; I661-V698 HydrophobicContact CG2-CG1 3.92Å; I661-A702 HydrophobicContact CG2-CB 4.29Å |
| 662 | E | 91.5 | Very high | 88.3 | Confident | 54 Ų | 54 | 37.5 Ų | 37.5 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 169.5 | -71.2 | -170 | -165.3 | 0 | 0 | 111.7 | K623 R658 A659 N665 E666 V698 | K623-E662 IonicContact NZ-OE2 2.87Å; K623-E662 PolarHBondContact NZ-OE2 2.98Å; R658-E662 HydrophobicContact CG-CG 4.27Å; R658-E662 IonicContact CZ-OE1 3.65Å; R658-E662 IonicContact NE-OE1 3.69Å; R658-E662 PolarHBondContact NE-OE1 2.9Å; R658-E662 IonicContact NH2-OE1 2.71Å; R658-E662 PolarHBondContact NH2-OE1 3.38Å; R658-E662 WeakPolarHBondContact O-CG 3.42Å; R658-E662 PolarHBondContact O-N 3.11Å; A659-E662 PolarHBondContact O-N 2.68Å; E662-N665 VanDerWaalsContact O-CB 3.28Å; E662-N665 WeakPolarHBondContact O-CB 3.4Å; E662-N665 PolarHBondContact O-N 3.09Å; E662-E666 PolarHBondContact O-N 2.93Å; E662-E666 VanDerWaalsContact O-N 3.08Å; E662-V698 HydrophobicContact CB-CG1 4.46Å; E662-V698 HydrophobicContact CG-CG1 3.54Å |
| 663 | Y | 91.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 173.6 | 170.4 | -85.6 | 0 | 0 | 0 | 111.5 | M622 K623 I626 L639 V643 A659 N665 E666 V667 | M622-Y663 HydrophobicContact CB-CD2 3.99Å; M622-Y663 HydrophobicContact CB-CE2 3.63Å; M622-Y663 HydrophobicContact CE-CD2 4.47Å; M622-Y663 HydrophobicContact CE-CE1 3.89Å; M622-Y663 HydrophobicContact CE-CE2 3.76Å; M622-Y663 VanDerWaalsContact CE-OH 3.31Å; M622-Y663 WeakPolarHBondContact CE-OH 3.25Å; K623-Y663 HydrophobicContact CB-CD2 4.35Å; I626-Y663 HydrophobicContact CD1-CD2 3.67Å; I626-Y663 HydrophobicContact CD1-CE2 3.62Å; I626-Y663 HydrophobicContact CD1-CG 4.47Å; I626-Y663 HydrophobicContact CG1-CD2 4.19Å; I626-Y663 HydrophobicContact CG1-CE2 3.7Å; L639-Y663 WeakPolarHBondContact CD2-OH 3.42Å; L639-Y663 WeakPolarHBondContact O-CE1 3.29Å; L639-Y663 PolarHBondContact O-OH 3.19Å; V643-Y663 HydrophobicContact CB-CD1 3.76Å; V643-Y663 HydrophobicContact CB-CE1 3.81Å; V643-Y663 HydrophobicContact CG1-CD1 3.79Å; V643-Y663 HydrophobicContact CG1-CE1 4.04Å; V643-Y663 HydrophobicContact CG2-CD1 3.86Å; V643-Y663 HydrophobicContact CG2-CE1 4.3Å; V643-Y663 HydrophobicContact CG2-CG 4.38Å; A659-Y663 VanDerWaalsContact O-CB 3.24Å; A659-Y663 WeakPolarHBondContact O-CB 3.44Å; A659-Y663 PolarHBondContact O-N 2.91Å; Y663-N665 VanDerWaalsContact C-N 3.29Å; Y663-N665 PolarHBondContact O-N 3.31Å; Y663-E666 PolarHBondContact O-N 2.81Å; Y663-E666 VanDerWaalsContact O-N 3.14Å; Y663-V667 HydrophobicContact CD1-CG2 4.26Å; Y663-V667 HydrophobicContact CE1-CG2 3.77Å; Y663-V667 HydrophobicContact CE2-CG2 4.28Å; Y663-V667 WeakPolarHBondContact O-CG2 3.35Å; Y663-V667 PolarHBondContact O-N 3.26Å; Y663-V667 VanDerWaalsContact O-N 3.09Å |
| 664 | I | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 172.9 | -68.6 | 166 | 0 | 0 | 0 | 110.2 | V643 I649 R660 I661 E666 V667 L668 L682 | V643-I664 HydrophobicContact CG1-CD1 3.98Å; V643-I664 HydrophobicContact CG1-CG1 3.77Å; I649-I664 HydrophobicContact CD1-CD1 3.95Å; R660-I664 WeakPolarHBondContact O-CG1 3.34Å; R660-I664 PolarHBondContact O-N 3.46Å; R660-I664 VanDerWaalsContact O-N 3.1Å; I661-I664 PolarHBondContact O-N 2.94Å; I664-E666 VanDerWaalsContact C-N 3.28Å; I664-E666 PolarHBondContact O-N 3.01Å; I664-V667 PolarHBondContact O-N 3.35Å; I664-L668 HydrophobicContact CG2-CD1 4.4Å; I664-L668 HydrophobicContact CG2-CD2 3.97Å; I664-L668 HydrophobicContact CG2-CG 3.99Å; I664-L668 VanDerWaalsContact O-CG 3.23Å; I664-L668 WeakPolarHBondContact O-CG 3.47Å; I664-L668 PolarHBondContact O-N 3.31Å; I664-L682 HydrophobicContact CD1-CD2 4.37Å |
| 665 | N | 89.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56 | -36.5 | 177.6 | -91.2 | -80.9 | 0 | 0 | 0 | 113.7 | I661 E662 Y663 S669 V698 T701 A702 K705 | I661-N665 PolarHBondContact O-N 3.12Å; I661-N665 PolarHBondContact O-ND2 3.11Å; E662-N665 VanDerWaalsContact O-CB 3.28Å; E662-N665 WeakPolarHBondContact O-CB 3.4Å; E662-N665 PolarHBondContact O-N 3.09Å; Y663-N665 VanDerWaalsContact C-N 3.29Å; Y663-N665 PolarHBondContact O-N 3.31Å; N665-S669 PolarHBondContact O-N 3.32Å; N665-S669 PolarHBondContact O-OG 3.34Å; N665-V698 PolarHBondContact ND2-O 2.74Å; N665-V698 VanDerWaalsContact ND2-O 3.07Å; N665-T701 VanDerWaalsContact OD1-C 3.32Å; N665-T701 WeakPolarHBondContact OD1-CG2 3.31Å; N665-A702 WeakPolarHBondContact OD1-CA 3.27Å; N665-A702 PolarHBondContact OD1-N 3.23Å; N665-K705 HydrophobicContact CB-CD 4.49Å; N665-K705 WeakPolarHBondContact O-CD 3.43Å; N665-K705 PolarHBondContact O-NZ 3.1Å; N665-K705 VanDerWaalsContact O-NZ 3.14Å |
| 666 | E | 87.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 25.5 Ų | 25.5 | 25% | 0.248 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -73.4 | -46.5 | 175.9 | -54 | -50.8 | 166.8 | 0 | 0 | 111.6 | K623 I626 E662 Y663 I664 L668 S669 L670 | K623-E666 HydrophobicContact CD-CG 4.35Å; K623-E666 WeakPolarHBondContact CE-OE1 3.41Å; K623-E666 HydrophobicContact CG-CG 4.15Å; K623-E666 IonicContact NZ-OE1 3.85Å; K623-E666 PolarHBondContact NZ-OE1 3Å; K623-E666 VanDerWaalsContact NZ-OE1 3.12Å; I626-E666 HydrophobicContact CD1-CB 3.64Å; I626-E666 HydrophobicContact CD1-CG 4.39Å; E662-E666 PolarHBondContact O-N 2.93Å; E662-E666 VanDerWaalsContact O-N 3.08Å; Y663-E666 PolarHBondContact O-N 2.81Å; Y663-E666 VanDerWaalsContact O-N 3.14Å; I664-E666 VanDerWaalsContact C-N 3.28Å; I664-E666 PolarHBondContact O-N 3.01Å; E666-L668 VanDerWaalsContact C-N 3.29Å; E666-L668 PolarHBondContact O-N 3Å; E666-S669 WeakPolarHBondContact O-CA 3.47Å; E666-S669 VanDerWaalsContact O-CB 3.3Å; E666-S669 WeakPolarHBondContact O-CB 3.43Å; E666-S669 PolarHBondContact O-N 2.76Å; E666-L670 PolarHBondContact O-N 3.41Å |
| 667 | V | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 178 | -179.6 | 0 | 0 | 0 | 0 | 111 | I626 V636 L639 Y663 I664 S669 L670 S671 | I626-V667 HydrophobicContact CD1-CG2 3.8Å; I626-V667 HydrophobicContact CG1-CG2 4.41Å; I626-V667 HydrophobicContact CG2-CG2 4.25Å; V636-V667 HydrophobicContact CG1-CG1 4.08Å; L639-V667 HydrophobicContact CB-CG1 3.93Å; L639-V667 HydrophobicContact CB-CG2 4.1Å; L639-V667 HydrophobicContact CD1-CG1 4.18Å; L639-V667 HydrophobicContact CD1-CG2 4.43Å; Y663-V667 HydrophobicContact CD1-CG2 4.26Å; Y663-V667 HydrophobicContact CE1-CG2 3.77Å; Y663-V667 HydrophobicContact CE2-CG2 4.28Å; Y663-V667 WeakPolarHBondContact O-CG2 3.35Å; Y663-V667 PolarHBondContact O-N 3.26Å; Y663-V667 VanDerWaalsContact O-N 3.09Å; I664-V667 PolarHBondContact O-N 3.35Å; V667-S669 VanDerWaalsContact C-N 3.27Å; V667-S669 PolarHBondContact O-N 2.66Å; V667-L670 PolarHBondContact O-N 2.96Å; V667-S671 PolarHBondContact O-N 3.47Å |
| 668 | L | 86.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -34.2 | 175.7 | -57.2 | -148.1 | 0 | 0 | 0 | 111.6 | I664 E666 S671 I674 K705 L706 K709 | I664-L668 HydrophobicContact CG2-CD1 4.4Å; I664-L668 HydrophobicContact CG2-CD2 3.97Å; I664-L668 HydrophobicContact CG2-CG 3.99Å; I664-L668 VanDerWaalsContact O-CG 3.23Å; I664-L668 WeakPolarHBondContact O-CG 3.47Å; I664-L668 PolarHBondContact O-N 3.31Å; E666-L668 VanDerWaalsContact C-N 3.29Å; E666-L668 PolarHBondContact O-N 3Å; L668-S671 PolarHBondContact O-OG 3.47Å; L668-I674 HydrophobicContact CB-CD1 4.13Å; L668-I674 HydrophobicContact CD1-CD1 4.05Å; L668-I674 HydrophobicContact CD2-CD1 3.75Å; L668-I674 HydrophobicContact CG-CD1 4.15Å; L668-K705 HydrophobicContact CB-CB 4.3Å; L668-K705 HydrophobicContact CD1-CB 4.34Å; L668-L706 HydrophobicContact CD1-CB 3.88Å; L668-L706 HydrophobicContact CD1-CD1 3.81Å; L668-L706 HydrophobicContact CD1-CG 4.46Å; L668-K709 WeakPolarHBondContact O-CE 3.4Å |
| 669 | S | 83.6 | Confident | 85.6 | Confident | 43 Ų | 43 | 22.5 Ų | 22.5 | 30% | 0.301 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.7 | -42.4 | -177.5 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | N665 E666 V667 K705 K709 | N665-S669 PolarHBondContact O-N 3.32Å; N665-S669 PolarHBondContact O-OG 3.34Å; E666-S669 WeakPolarHBondContact O-CA 3.47Å; E666-S669 VanDerWaalsContact O-CB 3.3Å; E666-S669 WeakPolarHBondContact O-CB 3.43Å; E666-S669 PolarHBondContact O-N 2.76Å; V667-S669 VanDerWaalsContact C-N 3.27Å; V667-S669 PolarHBondContact O-N 2.66Å; S669-K705 PolarHBondContact OG-NZ 3.07Å; S669-K709 PolarHBondContact O-NZ 2.67Å |
| 670 | L | 81.7 | Confident | 85.3 | Confident | 46 Ų | 46 | 25.6 Ų | 25.6 | 24% | 0.241 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.4 | -27.4 | -178.1 | -66.7 | 166.9 | 0 | 0 | 0 | 113.1 | I626 V634 E666 V667 | I626-L670 HydrophobicContact CB-CD1 4.26Å; I626-L670 HydrophobicContact CG2-CD1 3.5Å; I626-L670 VanDerWaalsContact CG2-CD1 3.5Å; V634-L670 HydrophobicContact CG2-CB 4.3Å; E666-L670 PolarHBondContact O-N 3.41Å; V667-L670 PolarHBondContact O-N 2.96Å |
| 671 | S | 78.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -59.6 | 139.9 | 172.8 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | V667 L668 I674 K709 | V667-S671 PolarHBondContact O-N 3.47Å; L668-S671 PolarHBondContact O-OG 3.47Å; S671-I674 WeakPolarHBondContact OG-CG1 3.4Å; S671-K709 WeakPolarHBondContact O-CD 3.37Å; S671-K709 WeakPolarHBondContact O-CE 3.34Å; S671-K709 PolarHBondContact O-NZ 3.3Å | ||
| 672 | I | 73 | Confident | 84.7 | Confident | 109 Ų | 109 | 28.8 Ų | 28.8 | 56% | 0.559 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -76.3 | -45.6 | 173.4 | -62.6 | 173.2 | 0 | 0 | 0 | 110 | ||
| 673 | S | 75.5 | Confident | 84.7 | Confident | 60 Ų | 60 | 26.2 Ų | 26.2 | 42% | 0.42 | 14% | 0.144 | S | C | . | . | trans | -143.5 | 165 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 674 | I | 81.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | trans | -125.7 | 148.8 | -179 | -67 | 175 | 0 | 0 | 0 | 109.5 | V636 L668 S671 L678 L706 K709 T710 | V636-I674 HydrophobicContact CG1-CG1 4.46Å; L668-I674 HydrophobicContact CB-CD1 4.13Å; L668-I674 HydrophobicContact CD1-CD1 4.05Å; L668-I674 HydrophobicContact CD2-CD1 3.75Å; L668-I674 HydrophobicContact CG-CD1 4.15Å; S671-I674 WeakPolarHBondContact OG-CG1 3.4Å; I674-L678 HydrophobicContact CG2-CB 4.41Å; I674-L678 HydrophobicContact CG2-CD2 4.34Å; I674-L706 HydrophobicContact CD1-CD1 3.92Å; I674-L706 HydrophobicContact CG2-CD1 4.06Å; I674-K709 HydrophobicContact CB-CB 4.3Å; I674-K709 HydrophobicContact CD1-CB 3.63Å; I674-K709 HydrophobicContact CD1-CG 4.14Å; I674-K709 HydrophobicContact CG1-CB 3.83Å; I674-K709 PolarHBondContact N-O 3.43Å; I674-T710 HydrophobicContact CB-CG2 3.74Å; I674-T710 HydrophobicContact CG2-CG2 3.95Å | ||
| 675 | S | 81.8 | Confident | 84.3 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | trans | -73 | 147.9 | 175.9 | 79.7 | 0 | 0 | 0 | 0 | 112.2 | P581 E583 N677 L678 A679 | P581-S675 VanDerWaalsContact O-CA 3.25Å; P581-S675 WeakPolarHBondContact O-CA 2.99Å; E583-S675 VanDerWaalsContact CD-CB 3.47Å; E583-S675 WeakPolarHBondContact CG-OG 3.48Å; E583-S675 WeakPolarHBondContact OE1-CB 3.33Å; E583-S675 PolarHBondContact OE1-OG 3.13Å; S675-N677 PolarHBondContact O-N 3.48Å; S675-L678 PolarHBondContact O-N 2.81Å; S675-L678 WeakPolarHBondContact OG-CB 3.35Å; S675-L678 PolarHBondContact OG-N 2.61Å; S675-A679 PolarHBondContact O-N 3.01Å; S675-A679 VanDerWaalsContact O-N 3.16Å | ||
| 676 | S | 81.1 | Confident | 84.4 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -41.2 | 172.9 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | P581 T582 L678 A679 E680 | P581-S676 PolarHBondContact O-N 3.36Å; P581-S676 VanDerWaalsContact O-N 3.17Å; T582-S676 WeakPolarHBondContact CG2-OG 3.42Å; S676-L678 PolarHBondContact O-N 3.42Å; S676-A679 WeakPolarHBondContact O-CB 3.37Å; S676-A679 PolarHBondContact O-N 3.16Å; S676-E680 WeakPolarHBondContact O-CG 3.19Å; S676-E680 PolarHBondContact O-N 2.78Å |
| 677 | N | 84.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 28.3 Ų | 28.3 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.4 | -34.1 | -173.8 | -60.8 | -6 | 0 | 0 | 0 | 112.1 | E583 L585 S675 L681 | E583-N677 PolarHBondContact O-ND2 3.28Å; L585-N677 HydrophobicContact CD1-CB 4.44Å; L585-N677 HydrophobicContact CD2-CB 4.02Å; L585-N677 HydrophobicContact CG-CB 4.11Å; S675-N677 PolarHBondContact O-N 3.48Å; N677-L681 WeakPolarHBondContact O-CB 3.43Å; N677-L681 PolarHBondContact O-N 3.27Å |
| 678 | L | 84.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.8 | -36.7 | 172.6 | -179.4 | 59 | 0 | 0 | 0 | 111.8 | V636 Q637 C640 R641 I674 S675 S676 L681 L682 | V636-L678 HydrophobicContact CB-CD2 4.47Å; V636-L678 HydrophobicContact CG1-CD2 3.8Å; Q637-L678 HydrophobicContact CB-CD2 4.23Å; Q637-L678 HydrophobicContact CG-CD1 4.26Å; C640-L678 HydrophobicContact CB-CD1 4.31Å; C640-L678 HydrophobicContact CB-CD2 4.49Å; R641-L678 HydrophobicContact CG-CD1 4.21Å; I674-L678 HydrophobicContact CG2-CB 4.41Å; I674-L678 HydrophobicContact CG2-CD2 4.34Å; S675-L678 PolarHBondContact O-N 2.81Å; S675-L678 WeakPolarHBondContact OG-CB 3.35Å; S675-L678 PolarHBondContact OG-N 2.61Å; S676-L678 PolarHBondContact O-N 3.42Å; L678-L681 PolarHBondContact O-N 3.37Å; L678-L682 HydrophobicContact CD1-CD1 4.05Å; L678-L682 HydrophobicContact CD1-CG 4.17Å; L678-L682 HydrophobicContact CG-CD1 3.95Å; L678-L682 WeakPolarHBondContact O-CG 3.37Å; L678-L682 PolarHBondContact O-N 3.09Å |
| 679 | A | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S675 S676 L681 L682 L683 L706 T710 L714 | S675-A679 PolarHBondContact O-N 3.01Å; S675-A679 VanDerWaalsContact O-N 3.16Å; S676-A679 WeakPolarHBondContact O-CB 3.37Å; S676-A679 PolarHBondContact O-N 3.16Å; A679-L681 VanDerWaalsContact C-N 3.27Å; A679-L681 PolarHBondContact O-N 3.17Å; A679-L682 PolarHBondContact O-N 3.35Å; A679-L683 WeakPolarHBondContact O-CB 3.43Å; A679-L683 WeakPolarHBondContact O-CD1 3.5Å; A679-L683 VanDerWaalsContact O-CG 3.27Å; A679-L683 WeakPolarHBondContact O-CG 3.41Å; A679-L683 PolarHBondContact O-N 3.24Å; A679-L706 HydrophobicContact CB-CD1 3.87Å; A679-L706 HydrophobicContact CB-CD2 3.93Å; A679-L706 HydrophobicContact CB-CG 4Å; A679-T710 HydrophobicContact CB-CG2 4.19Å; A679-L714 HydrophobicContact CB-CD2 4.1Å |
| 680 | E | 85.5 | Confident | 85.2 | Confident | 80 Ų | 80 | 31.1 Ų | 31.1 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64 | -28.8 | 176.3 | -68.8 | -171.6 | 168.1 | 0 | 0 | 113.1 | S676 P684 L714 F718 | S676-E680 WeakPolarHBondContact O-CG 3.19Å; S676-E680 PolarHBondContact O-N 2.78Å; E680-P684 WeakPolarHBondContact O-CD 3.49Å; E680-L714 HydrophobicContact CG-CD1 4.43Å; E680-F718 HydrophobicContact CB-CD2 4.37Å; E680-F718 HydrophobicContact CB-CE2 4.06Å; E680-F718 HydrophobicContact CG-CD2 3.92Å; E680-F718 HydrophobicContact CG-CE2 4.08Å |
| 681 | L | 85.2 | Confident | 85.6 | Confident | 66 Ų | 66 | 29.1 Ų | 29.1 | 35% | 0.346 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -74.7 | -36.7 | 174.7 | -174 | 68.1 | 0 | 0 | 0 | 112.9 | L585 R641 N677 L678 A679 | L585-L681 HydrophobicContact CD2-CD2 4.4Å; R641-L681 VanDerWaalsContact CD-CD2 3.48Å; R641-L681 HydrophobicContact CG-CD2 4.07Å; R641-L681 VanDerWaalsContact NE-CD2 3.35Å; N677-L681 WeakPolarHBondContact O-CB 3.43Å; N677-L681 PolarHBondContact O-N 3.27Å; L678-L681 PolarHBondContact O-N 3.37Å; A679-L681 VanDerWaalsContact C-N 3.27Å; A679-L681 PolarHBondContact O-N 3.17Å |
| 682 | L | 89 | Confident | 86.2 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -77 | -33.9 | -179.7 | -73.5 | 168.2 | 0 | 0 | 0 | 112.8 | C640 L644 I664 L678 A679 L686 | C640-L682 HydrophobicContact CB-CD1 4.37Å; C640-L682 HydrophobicContact CB-CD2 4.45Å; L644-L682 HydrophobicContact CD1-CD2 4.02Å; I664-L682 HydrophobicContact CD1-CD2 4.37Å; L678-L682 HydrophobicContact CD1-CD1 4.05Å; L678-L682 HydrophobicContact CD1-CG 4.17Å; L678-L682 HydrophobicContact CG-CD1 3.95Å; L678-L682 WeakPolarHBondContact O-CG 3.37Å; L678-L682 PolarHBondContact O-N 3.09Å; A679-L682 PolarHBondContact O-N 3.35Å; L682-L686 HydrophobicContact CB-CD1 4.27Å; L682-L686 WeakPolarHBondContact O-CG 3.44Å; L682-L686 PolarHBondContact O-N 3.08Å |
| 683 | L | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | -170.2 | -82.6 | 163.6 | 0 | 0 | 0 | 115.5 | A679 D685 L686 I687 M703 L706 V715 F718 | A679-L683 WeakPolarHBondContact O-CB 3.43Å; A679-L683 WeakPolarHBondContact O-CD1 3.5Å; A679-L683 VanDerWaalsContact O-CG 3.27Å; A679-L683 WeakPolarHBondContact O-CG 3.41Å; A679-L683 PolarHBondContact O-N 3.24Å; L683-D685 PolarHBondContact O-N 2.82Å; L683-L686 PolarHBondContact O-N 2.89Å; L683-I687 HydrophobicContact CB-CD1 4.09Å; L683-I687 HydrophobicContact CD2-CD1 4.18Å; L683-I687 HydrophobicContact CD2-CG1 4.32Å; L683-I687 WeakPolarHBondContact O-CD1 3.43Å; L683-I687 WeakPolarHBondContact O-CG1 3.49Å; L683-I687 PolarHBondContact O-N 2.82Å; L683-M703 HydrophobicContact CD2-CG 4.28Å; L683-L706 HydrophobicContact CD1-CD2 3.95Å; L683-L706 HydrophobicContact CD2-CD2 3.92Å; L683-L706 HydrophobicContact CG-CD2 3.67Å; L683-V715 HydrophobicContact CD1-CB 4.41Å; L683-V715 HydrophobicContact CD1-CG1 4.14Å; L683-V715 HydrophobicContact CD1-CG2 4.31Å; L683-V715 HydrophobicContact CD2-CG1 3.86Å; L683-F718 HydrophobicContact CB-CD1 3.63Å; L683-F718 HydrophobicContact CB-CE1 3.71Å; L683-F718 HydrophobicContact CB-CG 4.38Å; L683-F718 HydrophobicContact CB-CZ 4.5Å; L683-F718 HydrophobicContact CD1-CB 3.99Å; L683-F718 HydrophobicContact CD1-CD1 4.04Å; L683-F718 HydrophobicContact CD1-CG 4.02Å; L683-F718 HydrophobicContact CG-CD1 4.4Å |
| 684 | P | 88 | Confident | 87.4 | Confident | 61 Ų | 61 | 33.6 Ų | 33.6 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -54.7 | -46.4 | -179.3 | -29.2 | 35.4 | 0 | 0 | 0 | 114 | E680 D688 F718 | E680-P684 WeakPolarHBondContact O-CD 3.49Å; P684-D688 PolarHBondContact O-N 2.75Å; P684-F718 HydrophobicContact CG-CE1 3.89Å; P684-F718 HydrophobicContact CG-CZ 3.74Å |
| 685 | D | 86.9 | Confident | 87.9 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 23% | 0.225 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.8 | -30.5 | -179.1 | -88.1 | -3.2 | 0 | 0 | 0 | 112.2 | I649 K650 L683 K689 | I649-D685 HydrophobicContact CB-CB 4.15Å; I649-D685 HydrophobicContact CD1-CB 4.05Å; I649-D685 HydrophobicContact CG2-CB 4.01Å; I649-D685 WeakPolarHBondContact CG2-O 3.27Å; K650-D685 WeakPolarHBondContact CE-OD1 3.44Å; K650-D685 IonicContact NZ-OD1 2.75Å; K650-D685 PolarHBondContact NZ-OD1 2.95Å; K650-D685 IonicContact NZ-OD2 2.68Å; K650-D685 PolarHBondContact NZ-OD2 2.98Å; L683-D685 PolarHBondContact O-N 2.82Å; D685-K689 WeakPolarHBondContact O-CG 3.31Å |
| 686 | L | 91.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.6 | -48.8 | 171.6 | -69.8 | 172.2 | 0 | 0 | 0 | 111.6 | I649 I661 L682 L683 D688 K689 V690 T699 A702 M703 | I649-L686 HydrophobicContact CD1-CD2 4.22Å; I661-L686 HydrophobicContact CG2-CD2 4.15Å; L682-L686 HydrophobicContact CB-CD1 4.27Å; L682-L686 WeakPolarHBondContact O-CG 3.44Å; L682-L686 PolarHBondContact O-N 3.08Å; L683-L686 PolarHBondContact O-N 2.89Å; L686-D688 VanDerWaalsContact C-N 3.29Å; L686-D688 PolarHBondContact O-N 3.25Å; L686-K689 CarbonylContact O-C 3.58Å; L686-K689 WeakPolarHBondContact O-CA 3.35Å; L686-K689 PolarHBondContact O-N 3.06Å; L686-V690 PolarHBondContact O-N 3.12Å; L686-V690 VanDerWaalsContact O-N 3.09Å; L686-T699 HydrophobicContact CB-CG2 4.04Å; L686-T699 HydrophobicContact CD2-CG2 4.07Å; L686-T699 WeakPolarHBondContact O-CG2 3.31Å; L686-A702 HydrophobicContact CD1-CB 4.24Å; L686-A702 HydrophobicContact CD2-CB 4.21Å; L686-M703 HydrophobicContact CB-CG 4.35Å |
| 687 | I | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | -175.3 | -56.2 | 159 | 0 | 0 | 0 | 111 | L683 K689 V690 M703 F718 V719 L723 I726 | L683-I687 HydrophobicContact CB-CD1 4.09Å; L683-I687 HydrophobicContact CD2-CD1 4.18Å; L683-I687 HydrophobicContact CD2-CG1 4.32Å; L683-I687 WeakPolarHBondContact O-CD1 3.43Å; L683-I687 WeakPolarHBondContact O-CG1 3.49Å; L683-I687 PolarHBondContact O-N 2.82Å; I687-K689 VanDerWaalsContact C-N 3.29Å; I687-K689 PolarHBondContact O-N 3.26Å; I687-V690 VanDerWaalsContact O-CG1 3.27Å; I687-V690 WeakPolarHBondContact O-CG1 3.35Å; I687-V690 PolarHBondContact O-N 3.25Å; I687-M703 HydrophobicContact CG1-CE 3.88Å; I687-M703 HydrophobicContact CG1-SD 4.28Å; I687-F718 HydrophobicContact CD1-CD1 3.98Å; I687-F718 HydrophobicContact CD1-CE1 4.27Å; I687-V719 HydrophobicContact CD1-CB 4.48Å; I687-V719 HydrophobicContact CD1-CG2 3.71Å; I687-V719 HydrophobicContact CG1-CG2 4.1Å; I687-L723 HydrophobicContact CG2-CD1 3.8Å; I687-I726 HydrophobicContact CB-CD1 3.93Å; I687-I726 HydrophobicContact CG2-CD1 3.44Å; I687-I726 VanDerWaalsContact CG2-CD1 3.44Å |
| 688 | D | 88.4 | Confident | 89.2 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 32% | 0.316 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 170.2 | -177.8 | 63.6 | 0 | 0 | 0 | 111.9 | P684 L686 S731 | P684-D688 PolarHBondContact O-N 2.75Å; L686-D688 VanDerWaalsContact C-N 3.29Å; L686-D688 PolarHBondContact O-N 3.25Å; D688-S731 PolarHBondContact O-OG 3.44Å |
| 689 | K | 90.6 | Very high | 89.6 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -84.6 | -3.4 | -178.6 | -56.3 | -45.5 | 177.6 | -150.9 | 0 | 115.4 | I649 D685 L686 I687 G691 D692 V695 T699 | I649-K689 HydrophobicContact CG2-CD 4.48Å; I649-K689 HydrophobicContact CG2-CG 3.57Å; I649-K689 WeakPolarHBondContact O-CE 3.32Å; D685-K689 WeakPolarHBondContact O-CG 3.31Å; L686-K689 CarbonylContact O-C 3.58Å; L686-K689 WeakPolarHBondContact O-CA 3.35Å; L686-K689 PolarHBondContact O-N 3.06Å; I687-K689 VanDerWaalsContact C-N 3.29Å; I687-K689 PolarHBondContact O-N 3.26Å; K689-G691 PolarHBondContact O-N 2.95Å; K689-D692 PolarHBondContact O-N 2.63Å; K689-D692 VanDerWaalsContact O-N 3.14Å; K689-V695 HydrophobicContact CB-CG2 4.37Å; K689-T699 HydrophobicContact CB-CG2 4.33Å |
| 690 | V | 93 | Very high | 90 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.8 | 179.6 | 84.6 | 0 | 0 | 0 | 0 | 112.3 | L686 I687 T699 K700 M703 S731 E734 | L686-V690 PolarHBondContact O-N 3.12Å; L686-V690 VanDerWaalsContact O-N 3.09Å; I687-V690 VanDerWaalsContact O-CG1 3.27Å; I687-V690 WeakPolarHBondContact O-CG1 3.35Å; I687-V690 PolarHBondContact O-N 3.25Å; V690-T699 HydrophobicContact CB-CG2 4.31Å; V690-K700 HydrophobicContact CG2-CG 3.67Å; V690-M703 HydrophobicContact CB-SD 4.48Å; V690-M703 HydrophobicContact CG2-SD 4.09Å; V690-S731 VanDerWaalsContact CG1-O 3.31Å; V690-S731 WeakPolarHBondContact CG1-O 3.19Å; V690-E734 HydrophobicContact CG1-CB 4.29Å |
| 691 | G | 89.9 | Confident | 90.3 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K689 R730 S731 | K689-G691 PolarHBondContact O-N 2.95Å; G691-R730 VanDerWaalsContact O-CD 3.28Å; G691-R730 WeakPolarHBondContact O-CD 3.43Å; G691-R730 WeakPolarHBondContact O-CG 3.48Å; G691-S731 PolarHBondContact N-OG 3.49Å |
| 692 | D | 90.5 | Very high | 90.6 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 32% | 0.321 | 18% | 0.184 | S | C | . | . | trans | -81.1 | 131.3 | -179.7 | -177.4 | -80.9 | 0 | 0 | 0 | 112.3 | K689 K694 V695 G696 | K689-D692 PolarHBondContact O-N 2.63Å; K689-D692 VanDerWaalsContact O-N 3.14Å; D692-K694 PolarHBondContact O-N 3.43Å; D692-K694 VanDerWaalsContact O-N 3.15Å; D692-K694 WeakPolarHBondContact OD1-CA 3.35Å; D692-K694 PolarHBondContact OD1-N 2.92Å; D692-V695 HydrophobicContact CB-CG2 3.74Å; D692-V695 PolarHBondContact OD1-N 3.19Å; D692-V695 VanDerWaalsContact OD1-N 3.12Å; D692-G696 WeakPolarHBondContact O-CA 3.29Å; D692-G696 PolarHBondContact O-N 3.16Å | ||
| 693 | T | 86.1 | Confident | 90.8 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 62% | 0.62 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.9 | -176.4 | 42.8 | 0 | 0 | 0 | 0 | 116.7 | ||
| 694 | K | 89.4 | Confident | 90.9 | Very high | 104 Ų | 104 | 34.4 Ų | 34.4 | 45% | 0.452 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -23 | -174.5 | -63.1 | -171.4 | 178.3 | -178.1 | 0 | 113.6 | F654 R658 D692 | F654-K694 HydrophobicContact CB-CD 3.98Å; F654-K694 HydrophobicContact CD1-CD 4.03Å; F654-K694 HydrophobicContact CD2-CB 4.21Å; F654-K694 HydrophobicContact CD2-CD 3.42Å; F654-K694 VanDerWaalsContact CD2-CD 3.42Å; F654-K694 HydrophobicContact CD2-CG 4.45Å; F654-K694 HydrophobicContact CE1-CD 4.4Å; F654-K694 VanDerWaalsContact CE1-NZ 3.26Å; F654-K694 HydrophobicContact CE2-CD 3.83Å; F654-K694 HydrophobicContact CG-CD 3.52Å; F654-K694 HydrophobicContact CZ-CD 4.3Å; R658-K694 PolarHBondContact NH1-O 3.13Å; D692-K694 PolarHBondContact O-N 3.43Å; D692-K694 VanDerWaalsContact O-N 3.15Å; D692-K694 WeakPolarHBondContact OD1-CA 3.35Å; D692-K694 PolarHBondContact OD1-N 2.92Å |
| 695 | V | 91.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -14.9 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 114.7 | L657 R658 I661 K689 D692 D697 V698 T699 | L657-V695 HydrophobicContact CD2-CG2 4.18Å; L657-V695 HydrophobicContact CG-CG1 4.33Å; L657-V695 HydrophobicContact CG-CG2 4.45Å; R658-V695 HydrophobicContact CB-CG1 3.72Å; R658-V695 HydrophobicContact CG-CG1 4.22Å; I661-V695 HydrophobicContact CD1-CB 4.2Å; I661-V695 HydrophobicContact CD1-CG2 4.05Å; K689-V695 HydrophobicContact CB-CG2 4.37Å; D692-V695 HydrophobicContact CB-CG2 3.74Å; D692-V695 PolarHBondContact OD1-N 3.19Å; D692-V695 VanDerWaalsContact OD1-N 3.12Å; V695-D697 VanDerWaalsContact C-N 3.29Å; V695-D697 PolarHBondContact O-N 3.36Å; V695-D697 VanDerWaalsContact O-N 3.09Å; V695-V698 WeakPolarHBondContact O-CA 3.2Å; V695-V698 WeakPolarHBondContact O-CB 3.35Å; V695-V698 PolarHBondContact O-N 2.83Å; V695-T699 PolarHBondContact O-N 2.77Å; V695-T699 PolarHBondContact O-OG1 3.06Å; V695-T699 VanDerWaalsContact O-OG1 3.07Å |
| 696 | G | 90.7 | Very high | 91 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.3 | -39.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D692 T699 K700 | D692-G696 WeakPolarHBondContact O-CA 3.29Å; D692-G696 PolarHBondContact O-N 3.16Å; G696-T699 VanDerWaalsContact O-CB 3.32Å; G696-T699 WeakPolarHBondContact O-CB 3.45Å; G696-T699 PolarHBondContact O-N 2.87Å; G696-K700 VanDerWaalsContact O-CG 3.3Å; G696-K700 WeakPolarHBondContact O-CG 3.49Å; G696-K700 PolarHBondContact O-N 3.43Å |
| 697 | D | 91.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 31.5 Ų | 31.5 | 58% | 0.583 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -73.9 | -30.2 | 179.1 | -54.9 | -44.5 | 0 | 0 | 0 | 113 | V695 T699 K700 T701 | V695-D697 VanDerWaalsContact C-N 3.29Å; V695-D697 PolarHBondContact O-N 3.36Å; V695-D697 VanDerWaalsContact O-N 3.09Å; D697-T699 VanDerWaalsContact C-N 3.35Å; D697-K700 IonicContact OD1-NZ 3.98Å; D697-K700 PolarHBondContact OD1-NZ 3.46Å; D697-T701 PolarHBondContact O-N 2.97Å; D697-T701 PolarHBondContact O-OG1 2.91Å |
| 698 | V | 92.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.9 | -37.1 | 171.2 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | R658 I661 E662 N665 V695 T701 A702 | R658-V698 HydrophobicContact CG-CG2 4.32Å; I661-V698 HydrophobicContact CB-CG1 4.31Å; I661-V698 HydrophobicContact CG2-CB 4.4Å; I661-V698 HydrophobicContact CG2-CG1 3.92Å; E662-V698 HydrophobicContact CB-CG1 4.46Å; E662-V698 HydrophobicContact CG-CG1 3.54Å; N665-V698 PolarHBondContact ND2-O 2.74Å; N665-V698 VanDerWaalsContact ND2-O 3.07Å; V695-V698 WeakPolarHBondContact O-CA 3.2Å; V695-V698 WeakPolarHBondContact O-CB 3.35Å; V695-V698 PolarHBondContact O-N 2.83Å; V698-T701 WeakPolarHBondContact O-CB 3.34Å; V698-T701 PolarHBondContact O-N 3.09Å; V698-A702 PolarHBondContact O-N 3.39Å |
| 699 | T | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 173.2 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | L686 K689 V690 V695 G696 D697 T701 A702 M703 | L686-T699 HydrophobicContact CB-CG2 4.04Å; L686-T699 HydrophobicContact CD2-CG2 4.07Å; L686-T699 WeakPolarHBondContact O-CG2 3.31Å; K689-T699 HydrophobicContact CB-CG2 4.33Å; V690-T699 HydrophobicContact CB-CG2 4.31Å; V695-T699 PolarHBondContact O-N 2.77Å; V695-T699 PolarHBondContact O-OG1 3.06Å; V695-T699 VanDerWaalsContact O-OG1 3.07Å; G696-T699 VanDerWaalsContact O-CB 3.32Å; G696-T699 WeakPolarHBondContact O-CB 3.45Å; G696-T699 PolarHBondContact O-N 2.87Å; D697-T699 VanDerWaalsContact C-N 3.35Å; T699-T701 VanDerWaalsContact C-N 3.27Å; T699-T701 PolarHBondContact O-N 2.87Å; T699-A702 WeakPolarHBondContact O-CB 3.34Å; T699-A702 PolarHBondContact O-N 3.04Å; T699-A702 VanDerWaalsContact O-N 3.11Å; T699-M703 HydrophobicContact CG2-SD 4.46Å; T699-M703 WeakPolarHBondContact O-CG 3.3Å; T699-M703 PolarHBondContact O-N 3.32Å |
| 700 | K | 93.7 | Very high | 90.1 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 16% | 0.161 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.3 | -43.6 | 171.9 | -72.2 | 170.2 | -165.1 | 162.8 | 0 | 111.2 | V690 G696 D697 A702 M703 T704 E734 W738 | V690-K700 HydrophobicContact CG2-CG 3.67Å; G696-K700 VanDerWaalsContact O-CG 3.3Å; G696-K700 WeakPolarHBondContact O-CG 3.49Å; G696-K700 PolarHBondContact O-N 3.43Å; D697-K700 IonicContact OD1-NZ 3.98Å; D697-K700 PolarHBondContact OD1-NZ 3.46Å; K700-A702 PolarHBondContact O-N 3.22Å; K700-M703 PolarHBondContact O-N 2.95Å; K700-T704 PolarHBondContact O-N 3.11Å; K700-T704 PolarHBondContact O-OG1 3.48Å; K700-T704 VanDerWaalsContact O-OG1 3.09Å; K700-E734 WeakPolarHBondContact CE-OE2 3.49Å; K700-E734 IonicContact NZ-OE2 2.7Å; K700-E734 PolarHBondContact NZ-OE2 2.97Å; K700-W738 HydrophobicContact CG-CB 4.33Å; K700-W738 HydrophobicContact CG-CG 4.39Å; K700-W738 PolarHBondContact O-NE1 2.84Å |
| 701 | T | 92.4 | Very high | 89.6 | Confident | 67 Ų | 67 | 32.4 Ų | 32.4 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.7 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | N665 D697 V698 T699 T704 K705 | N665-T701 VanDerWaalsContact OD1-C 3.32Å; N665-T701 WeakPolarHBondContact OD1-CG2 3.31Å; D697-T701 PolarHBondContact O-N 2.97Å; D697-T701 PolarHBondContact O-OG1 2.91Å; V698-T701 WeakPolarHBondContact O-CB 3.34Å; V698-T701 PolarHBondContact O-N 3.09Å; T699-T701 VanDerWaalsContact C-N 3.27Å; T699-T701 PolarHBondContact O-N 2.87Å; T701-T704 PolarHBondContact O-N 3.34Å; T701-K705 WeakPolarHBondContact O-CG 3.49Å; T701-K705 PolarHBondContact O-N 3.27Å |
| 702 | A | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I661 N665 L686 V698 T699 K700 T704 K705 L706 | I661-A702 HydrophobicContact CG2-CB 4.29Å; N665-A702 WeakPolarHBondContact OD1-CA 3.27Å; N665-A702 PolarHBondContact OD1-N 3.23Å; L686-A702 HydrophobicContact CD1-CB 4.24Å; L686-A702 HydrophobicContact CD2-CB 4.21Å; V698-A702 PolarHBondContact O-N 3.39Å; T699-A702 WeakPolarHBondContact O-CB 3.34Å; T699-A702 PolarHBondContact O-N 3.04Å; T699-A702 VanDerWaalsContact O-N 3.11Å; K700-A702 PolarHBondContact O-N 3.22Å; A702-T704 PolarHBondContact O-N 3.09Å; A702-K705 PolarHBondContact O-N 2.71Å; A702-L706 WeakPolarHBondContact O-CB 3.44Å; A702-L706 PolarHBondContact O-N 2.81Å |
| 703 | M | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.5 | -66.4 | 170.5 | 61.7 | 0 | 0 | 111.9 | L683 L686 I687 V690 T699 K700 L706 A707 V719 W738 | L683-M703 HydrophobicContact CD2-CG 4.28Å; L686-M703 HydrophobicContact CB-CG 4.35Å; I687-M703 HydrophobicContact CG1-CE 3.88Å; I687-M703 HydrophobicContact CG1-SD 4.28Å; V690-M703 HydrophobicContact CB-SD 4.48Å; V690-M703 HydrophobicContact CG2-SD 4.09Å; T699-M703 HydrophobicContact CG2-SD 4.46Å; T699-M703 WeakPolarHBondContact O-CG 3.3Å; T699-M703 PolarHBondContact O-N 3.32Å; K700-M703 PolarHBondContact O-N 2.95Å; M703-L706 PolarHBondContact O-N 3.1Å; M703-A707 PolarHBondContact O-N 2.8Å; M703-A707 VanDerWaalsContact O-N 3.07Å; M703-V719 HydrophobicContact CE-CG2 3.54Å; M703-W738 HydrophobicContact CB-CD2 4.45Å; M703-W738 HydrophobicContact CB-CH2 4.36Å; M703-W738 HydrophobicContact CB-CZ2 3.67Å; M703-W738 HydrophobicContact CE-CD2 3.87Å; M703-W738 HydrophobicContact CE-CE3 3.72Å; M703-W738 HydrophobicContact CE-CH2 4.35Å; M703-W738 HydrophobicContact CE-CZ2 4.45Å; M703-W738 HydrophobicContact CE-CZ3 3.98Å |
| 704 | T | 92.6 | Very high | 89.1 | Confident | 14 Ų | 14 | 31.8 Ų | 31.8 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | K700 T701 A702 L706 A707 E708 W738 F746 | K700-T704 PolarHBondContact O-N 3.11Å; K700-T704 PolarHBondContact O-OG1 3.48Å; K700-T704 VanDerWaalsContact O-OG1 3.09Å; T701-T704 PolarHBondContact O-N 3.34Å; A702-T704 PolarHBondContact O-N 3.09Å; T704-L706 VanDerWaalsContact C-N 3.28Å; T704-L706 PolarHBondContact O-N 3.47Å; T704-A707 WeakPolarHBondContact O-CB 3.39Å; T704-A707 PolarHBondContact O-N 2.94Å; T704-A707 VanDerWaalsContact O-N 3.1Å; T704-E708 WeakPolarHBondContact O-CG 3.42Å; T704-E708 PolarHBondContact O-N 2.89Å; T704-W738 PolarHBondContact OG1-NE1 3.12Å; T704-F746 HydrophobicContact CG2-CE2 4.16Å; T704-F746 HydrophobicContact CG2-CZ 4.23Å |
| 705 | K | 88.8 | Confident | 89 | Confident | 43 Ų | 43 | 26.8 Ų | 26.8 | 19% | 0.187 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -37.7 | 175.1 | -71.1 | -172.2 | -174.2 | -173.6 | 0 | 112 | N665 L668 S669 T701 A702 A707 E708 K709 | N665-K705 HydrophobicContact CB-CD 4.49Å; N665-K705 WeakPolarHBondContact O-CD 3.43Å; N665-K705 PolarHBondContact O-NZ 3.1Å; N665-K705 VanDerWaalsContact O-NZ 3.14Å; L668-K705 HydrophobicContact CB-CB 4.3Å; L668-K705 HydrophobicContact CD1-CB 4.34Å; S669-K705 PolarHBondContact OG-NZ 3.07Å; T701-K705 WeakPolarHBondContact O-CG 3.49Å; T701-K705 PolarHBondContact O-N 3.27Å; A702-K705 PolarHBondContact O-N 2.71Å; K705-A707 VanDerWaalsContact C-N 3.31Å; K705-A707 PolarHBondContact O-N 2.7Å; K705-E708 PolarHBondContact O-N 3.43Å; K705-K709 VanDerWaalsContact O-CG 3.27Å; K705-K709 WeakPolarHBondContact O-CG 3.44Å; K705-K709 PolarHBondContact O-N 3.12Å |
| 706 | L | 88.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.4 | -167.3 | 69 | 0 | 0 | 0 | 111.6 | L668 I674 A679 L683 A702 M703 T704 K709 T710 V715 | L668-L706 HydrophobicContact CD1-CB 3.88Å; L668-L706 HydrophobicContact CD1-CD1 3.81Å; L668-L706 HydrophobicContact CD1-CG 4.46Å; I674-L706 HydrophobicContact CD1-CD1 3.92Å; I674-L706 HydrophobicContact CG2-CD1 4.06Å; A679-L706 HydrophobicContact CB-CD1 3.87Å; A679-L706 HydrophobicContact CB-CD2 3.93Å; A679-L706 HydrophobicContact CB-CG 4Å; L683-L706 HydrophobicContact CD1-CD2 3.95Å; L683-L706 HydrophobicContact CD2-CD2 3.92Å; L683-L706 HydrophobicContact CG-CD2 3.67Å; A702-L706 WeakPolarHBondContact O-CB 3.44Å; A702-L706 PolarHBondContact O-N 2.81Å; M703-L706 PolarHBondContact O-N 3.1Å; T704-L706 VanDerWaalsContact C-N 3.28Å; T704-L706 PolarHBondContact O-N 3.47Å; L706-K709 PolarHBondContact O-N 2.87Å; L706-T710 WeakPolarHBondContact O-CB 3.33Å; L706-T710 PolarHBondContact O-N 2.93Å; L706-T710 PolarHBondContact O-OG1 2.94Å; L706-V715 HydrophobicContact CB-CG2 4.36Å; L706-V715 HydrophobicContact CD2-CG2 4.16Å; L706-V715 HydrophobicContact CG-CG2 4.02Å |
| 707 | A | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.9 | -34.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M703 T704 K705 T710 S711 L712 V715 F746 | M703-A707 PolarHBondContact O-N 2.8Å; M703-A707 VanDerWaalsContact O-N 3.07Å; T704-A707 WeakPolarHBondContact O-CB 3.39Å; T704-A707 PolarHBondContact O-N 2.94Å; T704-A707 VanDerWaalsContact O-N 3.1Å; K705-A707 VanDerWaalsContact C-N 3.31Å; K705-A707 PolarHBondContact O-N 2.7Å; A707-T710 CarbonylContact O-C 3.58Å; A707-S711 CarbonylContact O-C 3.54Å; A707-S711 VanDerWaalsContact O-CA 3.3Å; A707-S711 WeakPolarHBondContact O-CA 3.15Å; A707-S711 PolarHBondContact O-N 2.78Å; A707-L712 HydrophobicContact CB-CD1 4.46Å; A707-V715 HydrophobicContact CB-CB 4.08Å; A707-V715 HydrophobicContact CB-CG1 4.4Å; A707-V715 HydrophobicContact CB-CG2 4.1Å; A707-F746 HydrophobicContact CB-CE1 4.39Å; A707-F746 HydrophobicContact CB-CE2 4.3Å; A707-F746 HydrophobicContact CB-CZ 3.83Å |
| 708 | E | 86.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 22.8 Ų | 22.8 | 23% | 0.234 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 171.4 | -67.7 | 168 | 171.1 | 0 | 0 | 111.6 | T704 K705 F746 R821 S823 A824 | T704-E708 WeakPolarHBondContact O-CG 3.42Å; T704-E708 PolarHBondContact O-N 2.89Å; K705-E708 PolarHBondContact O-N 3.43Å; E708-F746 HydrophobicContact CG-CE1 3.92Å; E708-F746 HydrophobicContact CG-CZ 3.78Å; E708-R821 WeakPolarHBondContact OE1-CD 3.45Å; E708-R821 IonicContact OE1-CZ 3.12Å; E708-R821 IonicContact OE1-NE 3.93Å; E708-R821 IonicContact OE1-NH1 3.68Å; E708-R821 PolarHBondContact OE1-NH1 2.88Å; E708-S823 CarbonylContact O-C 3.51Å; E708-S823 WeakPolarHBondContact O-CA 3.42Å; E708-A824 PolarHBondContact O-N 3.06Å |
| 709 | K | 84.2 | Confident | 88.5 | Confident | 45 Ų | 45 | 22.1 Ų | 22.1 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -87.8 | -9.2 | -176.3 | -58.3 | -70 | 179.4 | 163 | 0 | 114.5 | L668 S669 S671 I674 K705 L706 | L668-K709 WeakPolarHBondContact O-CE 3.4Å; S669-K709 PolarHBondContact O-NZ 2.67Å; S671-K709 WeakPolarHBondContact O-CD 3.37Å; S671-K709 WeakPolarHBondContact O-CE 3.34Å; S671-K709 PolarHBondContact O-NZ 3.3Å; I674-K709 HydrophobicContact CB-CB 4.3Å; I674-K709 HydrophobicContact CD1-CB 3.63Å; I674-K709 HydrophobicContact CD1-CG 4.14Å; I674-K709 HydrophobicContact CG1-CB 3.83Å; I674-K709 PolarHBondContact N-O 3.43Å; K705-K709 VanDerWaalsContact O-CG 3.27Å; K705-K709 WeakPolarHBondContact O-CG 3.44Å; K705-K709 PolarHBondContact O-N 3.12Å; L706-K709 PolarHBondContact O-N 2.87Å |
| 710 | T | 84.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 5% | 0.049 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -123.4 | -101.2 | 171.9 | 62 | 0 | 0 | 0 | 0 | 110.2 | I674 A679 L706 A707 S823 | I674-T710 HydrophobicContact CB-CG2 3.74Å; I674-T710 HydrophobicContact CG2-CG2 3.95Å; A679-T710 HydrophobicContact CB-CG2 4.19Å; L706-T710 WeakPolarHBondContact O-CB 3.33Å; L706-T710 PolarHBondContact O-N 2.93Å; L706-T710 PolarHBondContact O-OG1 2.94Å; A707-T710 CarbonylContact O-C 3.58Å; T710-S823 WeakPolarHBondContact O-CB 3.14Å |
| 711 | S | 82.7 | Confident | 88.1 | Confident | 17 Ų | 17 | 26.4 Ų | 26.4 | 12% | 0.119 | 13% | 0.126 | C | C | . | . | trans | -156.2 | 156.3 | 165.5 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | A707 E713 L714 V715 | A707-S711 CarbonylContact O-C 3.54Å; A707-S711 VanDerWaalsContact O-CA 3.3Å; A707-S711 WeakPolarHBondContact O-CA 3.15Å; A707-S711 PolarHBondContact O-N 2.78Å; S711-E713 PolarHBondContact O-N 3.24Å; S711-E713 PolarHBondContact OG-N 3.02Å; S711-L714 PolarHBondContact O-N 3.02Å; S711-L714 PolarHBondContact OG-N 3.08Å; S711-L714 VanDerWaalsContact OG-N 3.11Å; S711-V715 WeakPolarHBondContact O-CG2 3.34Å; S711-V715 PolarHBondContact O-N 2.88Å | ||
| 712 | L | 87 | Confident | 87.9 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -24 | 167.6 | -177.2 | 60.1 | 0 | 0 | 0 | 111.8 | A707 G716 W738 S742 F746 I750 | A707-L712 HydrophobicContact CB-CD1 4.46Å; L712-G716 WeakPolarHBondContact O-CA 3.21Å; L712-G716 PolarHBondContact O-N 3.3Å; L712-W738 HydrophobicContact CD1-CH2 4.01Å; L712-S742 WeakPolarHBondContact CD2-O 3.41Å; L712-F746 HydrophobicContact CB-CB 4.33Å; L712-F746 HydrophobicContact CB-CD2 4.49Å; L712-F746 HydrophobicContact CB-CG 4.25Å; L712-F746 HydrophobicContact CD2-CB 3.72Å; L712-F746 HydrophobicContact CD2-CD2 4Å; L712-F746 HydrophobicContact CD2-CG 4.1Å; L712-I750 HydrophobicContact CD1-CG2 4.49Å; L712-I750 HydrophobicContact CD2-CG2 4.22Å; L712-I750 HydrophobicContact CG-CG2 3.86Å |
| 713 | E | 82.9 | Confident | 87.9 | Confident | 118 Ų | 118 | 24.4 Ų | 24.4 | 55% | 0.551 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -61.8 | -48.4 | 176.1 | -167.1 | -175.2 | -179 | 0 | 0 | 111.4 | S711 G717 C749 P751 | S711-E713 PolarHBondContact O-N 3.24Å; S711-E713 PolarHBondContact OG-N 3.02Å; E713-G717 WeakPolarHBondContact O-CA 3.45Å; E713-G717 PolarHBondContact O-N 2.75Å; E713-C749 WeakPolarHBondContact CA-O 3.46Å; E713-C749 VanDerWaalsContact CB-O 3.27Å; E713-C749 WeakPolarHBondContact CB-O 3.49Å; E713-C749 PolarHBondContact N-O 3.24Å; E713-P751 HydrophobicContact CG-CG 3.91Å |
| 714 | L | 84.1 | Confident | 87.8 | Confident | 29 Ų | 29 | 27 Ų | 27 | 15% | 0.152 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.6 | -56.2 | 177.4 | -179.3 | 67.4 | 0 | 0 | 0 | 111 | A679 E680 S711 G717 F718 | A679-L714 HydrophobicContact CB-CD2 4.1Å; E680-L714 HydrophobicContact CG-CD1 4.43Å; S711-L714 PolarHBondContact O-N 3.02Å; S711-L714 PolarHBondContact OG-N 3.08Å; S711-L714 VanDerWaalsContact OG-N 3.11Å; L714-G717 PolarHBondContact O-N 2.93Å; L714-F718 WeakPolarHBondContact O-CB 3.4Å; L714-F718 PolarHBondContact O-N 3.45Å |
| 715 | V | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -47.2 | -173.4 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | L683 L706 A707 S711 F718 V719 W738 | L683-V715 HydrophobicContact CD1-CB 4.41Å; L683-V715 HydrophobicContact CD1-CG1 4.14Å; L683-V715 HydrophobicContact CD1-CG2 4.31Å; L683-V715 HydrophobicContact CD2-CG1 3.86Å; L706-V715 HydrophobicContact CB-CG2 4.36Å; L706-V715 HydrophobicContact CD2-CG2 4.16Å; L706-V715 HydrophobicContact CG-CG2 4.02Å; A707-V715 HydrophobicContact CB-CB 4.08Å; A707-V715 HydrophobicContact CB-CG1 4.4Å; A707-V715 HydrophobicContact CB-CG2 4.1Å; S711-V715 WeakPolarHBondContact O-CG2 3.34Å; S711-V715 PolarHBondContact O-N 2.88Å; V715-F718 PolarHBondContact O-N 2.78Å; V715-V719 WeakPolarHBondContact O-CG2 3.36Å; V715-V719 PolarHBondContact O-N 3.47Å; V715-W738 HydrophobicContact CG1-CH2 3.71Å; V715-W738 HydrophobicContact CG1-CZ2 4.4Å; V715-W738 HydrophobicContact CG1-CZ3 4.47Å |
| 716 | G | 88.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L712 F718 V719 M720 | L712-G716 WeakPolarHBondContact O-CA 3.21Å; L712-G716 PolarHBondContact O-N 3.3Å; G716-F718 VanDerWaalsContact C-N 3.33Å; G716-F718 PolarHBondContact O-N 2.92Å; G716-V719 PolarHBondContact O-N 3.18Å; G716-M720 VanDerWaalsContact O-CG 3.3Å; G716-M720 WeakPolarHBondContact O-CG 3.31Å; G716-M720 PolarHBondContact O-N 2.82Å |
| 717 | G | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E713 L714 M720 R721 | E713-G717 WeakPolarHBondContact O-CA 3.45Å; E713-G717 PolarHBondContact O-N 2.75Å; L714-G717 PolarHBondContact O-N 2.93Å; G717-M720 PolarHBondContact O-N 2.93Å; G717-R721 PolarHBondContact O-N 3.28Å |
| 718 | F | 87.7 | Confident | 87.4 | Confident | 30 Ų | 30 | 45 Ų | 45 | 13% | 0.132 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 176.1 | -166.1 | -81.7 | 0 | 0 | 0 | 112.4 | E680 L683 P684 I687 L714 V715 G716 M720 R721 T722 | E680-F718 HydrophobicContact CB-CD2 4.37Å; E680-F718 HydrophobicContact CB-CE2 4.06Å; E680-F718 HydrophobicContact CG-CD2 3.92Å; E680-F718 HydrophobicContact CG-CE2 4.08Å; L683-F718 HydrophobicContact CB-CD1 3.63Å; L683-F718 HydrophobicContact CB-CE1 3.71Å; L683-F718 HydrophobicContact CB-CG 4.38Å; L683-F718 HydrophobicContact CB-CZ 4.5Å; L683-F718 HydrophobicContact CD1-CB 3.99Å; L683-F718 HydrophobicContact CD1-CD1 4.04Å; L683-F718 HydrophobicContact CD1-CG 4.02Å; L683-F718 HydrophobicContact CG-CD1 4.4Å; P684-F718 HydrophobicContact CG-CE1 3.89Å; P684-F718 HydrophobicContact CG-CZ 3.74Å; I687-F718 HydrophobicContact CD1-CD1 3.98Å; I687-F718 HydrophobicContact CD1-CE1 4.27Å; L714-F718 WeakPolarHBondContact O-CB 3.4Å; L714-F718 PolarHBondContact O-N 3.45Å; V715-F718 PolarHBondContact O-N 2.78Å; G716-F718 VanDerWaalsContact C-N 3.33Å; G716-F718 PolarHBondContact O-N 2.92Å; F718-M720 VanDerWaalsContact C-N 3.3Å; F718-M720 PolarHBondContact O-N 2.97Å; F718-R721 PolarHBondContact O-N 3.12Å; F718-T722 HydrophobicContact CD1-CG2 4.04Å; F718-T722 HydrophobicContact CE1-CG2 3.67Å; F718-T722 HydrophobicContact CZ-CG2 4.04Å; F718-T722 WeakPolarHBondContact O-CB 3.44Å; F718-T722 WeakPolarHBondContact O-CG2 3.33Å; F718-T722 PolarHBondContact O-N 3.4Å; F718-T722 PolarHBondContact O-OG1 3.48Å |
| 719 | V | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 174 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | I687 M703 V715 G716 R721 T722 L723 W738 | I687-V719 HydrophobicContact CD1-CB 4.48Å; I687-V719 HydrophobicContact CD1-CG2 3.71Å; I687-V719 HydrophobicContact CG1-CG2 4.1Å; M703-V719 HydrophobicContact CE-CG2 3.54Å; V715-V719 WeakPolarHBondContact O-CG2 3.36Å; V715-V719 PolarHBondContact O-N 3.47Å; G716-V719 PolarHBondContact O-N 3.18Å; V719-R721 PolarHBondContact O-N 3.02Å; V719-T722 PolarHBondContact O-N 3.41Å; V719-L723 HydrophobicContact CG1-CB 4.41Å; V719-L723 HydrophobicContact CG1-CD2 4.32Å; V719-L723 WeakPolarHBondContact O-CB 3.43Å; V719-L723 PolarHBondContact O-N 2.93Å; V719-W738 HydrophobicContact CG2-CE3 4.42Å; V719-W738 HydrophobicContact CG2-CZ3 3.96Å |
| 720 | M | 89.2 | Confident | 87.9 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | -176.6 | -72.1 | -169.1 | -70.2 | 0 | 0 | 113.4 | G716 G717 F718 L739 I750 E754 V755 L758 | G716-M720 VanDerWaalsContact O-CG 3.3Å; G716-M720 WeakPolarHBondContact O-CG 3.31Å; G716-M720 PolarHBondContact O-N 2.82Å; G717-M720 PolarHBondContact O-N 2.93Å; F718-M720 VanDerWaalsContact C-N 3.3Å; F718-M720 PolarHBondContact O-N 2.97Å; M720-L739 HydrophobicContact CG-CD2 3.65Å; M720-L739 HydrophobicContact SD-CD2 4.24Å; M720-I750 HydrophobicContact CE-CB 3.81Å; M720-I750 HydrophobicContact CE-CD1 3.98Å; M720-I750 HydrophobicContact CE-CG1 4.39Å; M720-I750 HydrophobicContact CE-CG2 4.44Å; M720-I750 HydrophobicContact SD-CD1 3.82Å; M720-E754 HydrophobicContact CB-CB 4.13Å; M720-E754 HydrophobicContact CE-CB 3.58Å; M720-E754 HydrophobicContact CE-CG 4.17Å; M720-E754 HydrophobicContact SD-CB 3.98Å; M720-V755 HydrophobicContact SD-CG2 4.15Å; M720-L758 HydrophobicContact CB-CD1 4.18Å; M720-L758 HydrophobicContact CG-CD1 4.24Å; M720-L758 HydrophobicContact CG-CD2 3.85Å; M720-L758 HydrophobicContact CG-CG 4.48Å; M720-L758 HydrophobicContact SD-CD2 4.07Å |
| 721 | R | 89.8 | Confident | 88.3 | Confident | 117 Ų | 117 | 48.2 Ų | 48.2 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.2 | -30.8 | 178 | -63.5 | 174.6 | -161.4 | 119.6 | 15.1 | 113.8 | G717 F718 V719 Q725 E754 | G717-R721 PolarHBondContact O-N 3.28Å; F718-R721 PolarHBondContact O-N 3.12Å; V719-R721 PolarHBondContact O-N 3.02Å; R721-Q725 PolarHBondContact O-NE2 3.01Å; R721-E754 IonicContact CZ-OE1 3.96Å; R721-E754 VanDerWaalsContact CZ-OE1 3.23Å; R721-E754 IonicContact NE-OE1 3.33Å; R721-E754 PolarHBondContact NE-OE1 2.91Å; R721-E754 IonicContact NE-OE2 2.64Å; R721-E754 IonicContact NH2-OE1 2.7Å; R721-E754 PolarHBondContact NH2-OE1 3.49Å |
| 722 | T | 88 | Confident | 88.8 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -104.5 | -25 | -166.4 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | F718 V719 F724 Q725 | F718-T722 HydrophobicContact CD1-CG2 4.04Å; F718-T722 HydrophobicContact CE1-CG2 3.67Å; F718-T722 HydrophobicContact CZ-CG2 4.04Å; F718-T722 WeakPolarHBondContact O-CB 3.44Å; F718-T722 WeakPolarHBondContact O-CG2 3.33Å; F718-T722 PolarHBondContact O-N 3.4Å; F718-T722 PolarHBondContact O-OG1 3.48Å; V719-T722 PolarHBondContact O-N 3.41Å; T722-F724 VanDerWaalsContact C-N 3.32Å; T722-F724 PolarHBondContact O-N 2.83Å; T722-Q725 VanDerWaalsContact O-CB 3.28Å; T722-Q725 WeakPolarHBondContact O-CB 3.5Å; T722-Q725 PolarHBondContact O-N 2.92Å |
| 723 | L | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -57.6 | -40.2 | -170.7 | -172.6 | 60.9 | 0 | 0 | 0 | 113.8 | I687 V719 Q725 I726 S731 L736 | I687-L723 HydrophobicContact CG2-CD1 3.8Å; V719-L723 HydrophobicContact CG1-CB 4.41Å; V719-L723 HydrophobicContact CG1-CD2 4.32Å; V719-L723 WeakPolarHBondContact O-CB 3.43Å; V719-L723 PolarHBondContact O-N 2.93Å; L723-Q725 VanDerWaalsContact C-N 3.33Å; L723-Q725 PolarHBondContact O-N 3.42Å; L723-I726 PolarHBondContact O-N 2.9Å; L723-S731 WeakPolarHBondContact CD1-O 3.43Å; L723-L736 HydrophobicContact CD2-CD2 4.04Å; L723-L736 HydrophobicContact CD2-CG 3.82Å |
| 724 | F | 90.7 | Very high | 89.8 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -80.4 | -8.4 | 178.4 | -73 | -66.1 | 0 | 0 | 0 | 114.7 | T722 I726 Q732 L736 L758 A761 V770 | T722-F724 VanDerWaalsContact C-N 3.32Å; T722-F724 PolarHBondContact O-N 2.83Å; F724-I726 VanDerWaalsContact C-N 3.31Å; F724-Q732 HydrophobicContact CD1-CG 4.36Å; F724-L736 HydrophobicContact CZ-CD1 4.22Å; F724-L736 HydrophobicContact CZ-CD2 4.42Å; F724-L758 HydrophobicContact CD2-CD1 4.01Å; F724-L758 HydrophobicContact CE2-CD1 3.65Å; F724-L758 HydrophobicContact CE2-CG 4.21Å; F724-L758 WeakPolarHBondContact CE2-O 3.18Å; F724-A761 HydrophobicContact CD2-CB 3.87Å; F724-A761 HydrophobicContact CE2-CB 4.1Å; F724-A761 HydrophobicContact CG-CB 4.19Å; F724-V770 HydrophobicContact CE1-CG1 3.72Å; F724-V770 HydrophobicContact CZ-CG1 4.18Å |
| 725 | Q | 88.9 | Confident | 90.3 | Very high | 141 Ų | 141 | 44.1 Ų | 44.1 | 66% | 0.659 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -75.8 | -25.2 | 170.9 | -50 | -178.1 | 23.3 | 0 | 0 | 111.1 | R721 T722 L723 K727 | R721-Q725 PolarHBondContact O-NE2 3.01Å; T722-Q725 VanDerWaalsContact O-CB 3.28Å; T722-Q725 WeakPolarHBondContact O-CB 3.5Å; T722-Q725 PolarHBondContact O-N 2.92Å; L723-Q725 VanDerWaalsContact C-N 3.33Å; L723-Q725 PolarHBondContact O-N 3.42Å; Q725-K727 PolarHBondContact O-N 2.97Å |
| 726 | I | 87.1 | Confident | 90.6 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -76.6 | 120.6 | 177.6 | -64.6 | 162.6 | 0 | 0 | 0 | 109.4 | I687 L723 F724 N728 Q732 | I687-I726 HydrophobicContact CB-CD1 3.93Å; I687-I726 HydrophobicContact CG2-CD1 3.44Å; I687-I726 VanDerWaalsContact CG2-CD1 3.44Å; L723-I726 PolarHBondContact O-N 2.9Å; F724-I726 VanDerWaalsContact C-N 3.31Å; I726-N728 VanDerWaalsContact C-N 3.26Å; I726-N728 HydrophobicContact CG2-CB 4.16Å; I726-N728 PolarHBondContact O-N 3.19Å; I726-Q732 PolarHBondContact O-NE2 3.02Å |
| 727 | K | 86.4 | Confident | 90.9 | Very high | 200 Ų | 200 | 47.1 Ų | 47.1 | 87% | 0.87 | 22% | 0.22 | S | C | * | . | trans | -73.5 | -10.5 | -174.8 | -64.9 | -178 | 179.4 | 178.4 | 0 | 114.8 | Q725 P729 | Q725-K727 PolarHBondContact O-N 2.97Å; K727-P729 VanDerWaalsContact O-CD 3.29Å; K727-P729 WeakPolarHBondContact O-CD 3.42Å | ||
| 728 | N | 87.9 | Confident | 91.3 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | trans | -82.3 | 111.4 | 179.1 | -179.4 | 3.8 | 0 | 0 | 0 | 110.6 | I726 R730 S731 Q732 | I726-N728 VanDerWaalsContact C-N 3.26Å; I726-N728 HydrophobicContact CG2-CB 4.16Å; I726-N728 PolarHBondContact O-N 3.19Å; N728-R730 PolarHBondContact O-N 3.44Å; N728-R730 VanDerWaalsContact O-N 3.14Å; N728-R730 WeakPolarHBondContact OD1-CB 3.47Å; N728-R730 PolarHBondContact OD1-N 3.06Å; N728-S731 PolarHBondContact ND2-OG 3.11Å; N728-S731 PolarHBondContact O-N 2.68Å; N728-S731 VanDerWaalsContact O-N 3.14Å; N728-Q732 PolarHBondContact O-N 2.99Å; N728-Q732 VanDerWaalsContact O-N 3.15Å | ||
| 729 | P | 90.2 | Very high | 91.6 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -22.7 | -179.5 | -20.4 | 34 | 0 | 0 | 0 | 112.9 | K727 T733 N767 V770 | K727-P729 VanDerWaalsContact O-CD 3.29Å; K727-P729 WeakPolarHBondContact O-CD 3.42Å; P729-T733 WeakPolarHBondContact O-CB 3.43Å; P729-T733 PolarHBondContact O-N 3.15Å; P729-T733 PolarHBondContact O-OG1 3.41Å; P729-N767 HydrophobicContact CB-CB 4.11Å; P729-N767 WeakPolarHBondContact CB-ND2 3.31Å; P729-V770 HydrophobicContact CB-CG2 4.22Å |
| 730 | R | 91.5 | Very high | 91.7 | Very high | 123 Ų | 123 | 47.5 Ų | 47.5 | 46% | 0.464 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.1 | -41.2 | 175.8 | -167.2 | 167.3 | -172.8 | 157.5 | 4.8 | 111.9 | G691 N728 Q732 T733 E734 | G691-R730 VanDerWaalsContact O-CD 3.28Å; G691-R730 WeakPolarHBondContact O-CD 3.43Å; G691-R730 WeakPolarHBondContact O-CG 3.48Å; N728-R730 PolarHBondContact O-N 3.44Å; N728-R730 VanDerWaalsContact O-N 3.14Å; N728-R730 WeakPolarHBondContact OD1-CB 3.47Å; N728-R730 PolarHBondContact OD1-N 3.06Å; R730-Q732 VanDerWaalsContact C-N 3.28Å; R730-Q732 PolarHBondContact O-N 3.26Å; R730-T733 PolarHBondContact O-N 3.23Å; R730-E734 HydrophobicContact CG-CG 4.06Å; R730-E734 IonicContact NE-OE1 3.31Å; R730-E734 IonicContact NH2-OE1 3.32Å; R730-E734 WeakPolarHBondContact O-CB 3.39Å; R730-E734 WeakPolarHBondContact O-CG 3.49Å; R730-E734 PolarHBondContact O-N 2.86Å |
| 731 | S | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 172.8 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | D688 V690 G691 L723 N728 G735 | D688-S731 PolarHBondContact O-OG 3.44Å; V690-S731 VanDerWaalsContact CG1-O 3.31Å; V690-S731 WeakPolarHBondContact CG1-O 3.19Å; G691-S731 PolarHBondContact N-OG 3.49Å; L723-S731 WeakPolarHBondContact CD1-O 3.43Å; N728-S731 PolarHBondContact ND2-OG 3.11Å; N728-S731 PolarHBondContact O-N 2.68Å; N728-S731 VanDerWaalsContact O-N 3.14Å; S731-G735 PolarHBondContact O-N 3.4Å |
| 732 | Q | 94.2 | Very high | 92 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -54.2 | 171.1 | -65.5 | 175.7 | -4.7 | 0 | 0 | 112.3 | F724 I726 N728 R730 E734 G735 L736 V770 | F724-Q732 HydrophobicContact CD1-CG 4.36Å; I726-Q732 PolarHBondContact O-NE2 3.02Å; N728-Q732 PolarHBondContact O-N 2.99Å; N728-Q732 VanDerWaalsContact O-N 3.15Å; R730-Q732 VanDerWaalsContact C-N 3.28Å; R730-Q732 PolarHBondContact O-N 3.26Å; Q732-E734 PolarHBondContact O-N 3.13Å; Q732-G735 PolarHBondContact O-N 3.21Å; Q732-L736 WeakPolarHBondContact O-CG 3.42Å; Q732-L736 PolarHBondContact O-N 3.17Å; Q732-V770 HydrophobicContact CB-CG1 4.4Å; Q732-V770 HydrophobicContact CB-CG2 3.97Å |
| 733 | T | 94.8 | Very high | 92 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.117 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | -179.6 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | P729 R730 V737 S769 V770 S773 | P729-T733 WeakPolarHBondContact O-CB 3.43Å; P729-T733 PolarHBondContact O-N 3.15Å; P729-T733 PolarHBondContact O-OG1 3.41Å; R730-T733 PolarHBondContact O-N 3.23Å; T733-V737 VanDerWaalsContact O-CG2 3.3Å; T733-V737 WeakPolarHBondContact O-CG2 3.45Å; T733-V737 PolarHBondContact O-N 3.04Å; T733-V737 VanDerWaalsContact O-N 3.1Å; T733-S769 PolarHBondContact OG1-OG 3.13Å; T733-V770 VanDerWaalsContact OG1-CG2 3.27Å; T733-V770 WeakPolarHBondContact OG1-CG2 3.5Å; T733-V770 PolarHBondContact OG1-N 3.47Å; T733-S773 WeakPolarHBondContact CG2-OG 3.45Å |
| 734 | E | 95 | Very high | 91.8 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.3 | -32.7 | -178.4 | -62.2 | -75.8 | 173.6 | 0 | 0 | 112.1 | V690 K700 R730 Q732 V737 W738 | V690-E734 HydrophobicContact CG1-CB 4.29Å; K700-E734 WeakPolarHBondContact CE-OE2 3.49Å; K700-E734 IonicContact NZ-OE2 2.7Å; K700-E734 PolarHBondContact NZ-OE2 2.97Å; R730-E734 HydrophobicContact CG-CG 4.06Å; R730-E734 IonicContact NE-OE1 3.31Å; R730-E734 IonicContact NH2-OE1 3.32Å; R730-E734 WeakPolarHBondContact O-CB 3.39Å; R730-E734 WeakPolarHBondContact O-CG 3.49Å; R730-E734 PolarHBondContact O-N 2.86Å; Q732-E734 PolarHBondContact O-N 3.13Å; E734-V737 PolarHBondContact O-N 3.44Å; E734-W738 WeakPolarHBondContact O-CB 3.31Å; E734-W738 PolarHBondContact O-N 2.93Å |
| 735 | G | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -38 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | S731 Q732 V737 W738 L739 | S731-G735 PolarHBondContact O-N 3.4Å; Q732-G735 PolarHBondContact O-N 3.21Å; G735-V737 VanDerWaalsContact C-N 3.35Å; G735-W738 PolarHBondContact O-N 2.79Å; G735-L739 WeakPolarHBondContact O-CB 3.41Å; G735-L739 PolarHBondContact O-N 2.86Å |
| 736 | L | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 170.7 | -72.9 | 168.3 | 0 | 0 | 0 | 111.4 | L723 F724 Q732 L739 N740 L758 V770 S774 L777 | L723-L736 HydrophobicContact CD2-CD2 4.04Å; L723-L736 HydrophobicContact CD2-CG 3.82Å; F724-L736 HydrophobicContact CZ-CD1 4.22Å; F724-L736 HydrophobicContact CZ-CD2 4.42Å; Q732-L736 WeakPolarHBondContact O-CG 3.42Å; Q732-L736 PolarHBondContact O-N 3.17Å; L736-L739 PolarHBondContact O-N 3.01Å; L736-N740 VanDerWaalsContact O-CB 3.25Å; L736-N740 WeakPolarHBondContact O-CB 3.16Å; L736-N740 PolarHBondContact O-N 3.26Å; L736-L758 HydrophobicContact CD2-CD1 4.46Å; L736-L758 HydrophobicContact CD2-CD2 4.35Å; L736-L758 HydrophobicContact CD2-CG 4.44Å; L736-V770 HydrophobicContact CD1-CG1 3.94Å; L736-S774 VanDerWaalsContact CD1-OG 3.27Å; L736-S774 WeakPolarHBondContact CD1-OG 3.27Å; L736-L777 HydrophobicContact CD2-CD2 3.76Å |
| 737 | V | 95.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 38% | 0.376 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 176 | 168 | 0 | 0 | 0 | 0 | 111.4 | T733 E734 G735 N740 Q741 S773 | T733-V737 VanDerWaalsContact O-CG2 3.3Å; T733-V737 WeakPolarHBondContact O-CG2 3.45Å; T733-V737 PolarHBondContact O-N 3.04Å; T733-V737 VanDerWaalsContact O-N 3.1Å; E734-V737 PolarHBondContact O-N 3.44Å; G735-V737 VanDerWaalsContact C-N 3.35Å; V737-N740 PolarHBondContact O-N 3.2Å; V737-Q741 PolarHBondContact O-N 3.33Å; V737-S773 WeakPolarHBondContact CG2-OG 3.24Å |
| 738 | W | 95.5 | Very high | 90.7 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 4% | 0.038 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -51.5 | 173.2 | 177.6 | 83.2 | 0 | 0 | 0 | 111.3 | K700 M703 T704 L712 V715 V719 E734 G735 N740 Q741 S742 | K700-W738 HydrophobicContact CG-CB 4.33Å; K700-W738 HydrophobicContact CG-CG 4.39Å; K700-W738 PolarHBondContact O-NE1 2.84Å; M703-W738 HydrophobicContact CB-CD2 4.45Å; M703-W738 HydrophobicContact CB-CH2 4.36Å; M703-W738 HydrophobicContact CB-CZ2 3.67Å; M703-W738 HydrophobicContact CE-CD2 3.87Å; M703-W738 HydrophobicContact CE-CE3 3.72Å; M703-W738 HydrophobicContact CE-CH2 4.35Å; M703-W738 HydrophobicContact CE-CZ2 4.45Å; M703-W738 HydrophobicContact CE-CZ3 3.98Å; T704-W738 PolarHBondContact OG1-NE1 3.12Å; L712-W738 HydrophobicContact CD1-CH2 4.01Å; V715-W738 HydrophobicContact CG1-CH2 3.71Å; V715-W738 HydrophobicContact CG1-CZ2 4.4Å; V715-W738 HydrophobicContact CG1-CZ3 4.47Å; V719-W738 HydrophobicContact CG2-CE3 4.42Å; V719-W738 HydrophobicContact CG2-CZ3 3.96Å; E734-W738 WeakPolarHBondContact O-CB 3.31Å; E734-W738 PolarHBondContact O-N 2.93Å; G735-W738 PolarHBondContact O-N 2.79Å; W738-N740 VanDerWaalsContact C-N 3.3Å; W738-N740 PolarHBondContact O-N 3.18Å; W738-Q741 PolarHBondContact O-N 3.34Å; W738-Q741 VanDerWaalsContact O-N 3.1Å; W738-S742 VanDerWaalsContact CE2-OG 3.3Å; W738-S742 WeakPolarHBondContact CZ2-OG 3.45Å; W738-S742 PolarHBondContact O-N 3.23Å; W738-S742 PolarHBondContact O-OG 2.97Å |
| 739 | L | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | -179.8 | -177.8 | 63.9 | 0 | 0 | 0 | 111.9 | M720 G735 L736 Q741 S742 I743 I750 L758 L777 | M720-L739 HydrophobicContact CG-CD2 3.65Å; M720-L739 HydrophobicContact SD-CD2 4.24Å; G735-L739 WeakPolarHBondContact O-CB 3.41Å; G735-L739 PolarHBondContact O-N 2.86Å; L736-L739 PolarHBondContact O-N 3.01Å; L739-Q741 PolarHBondContact O-N 3.24Å; L739-S742 PolarHBondContact O-N 2.83Å; L739-I743 HydrophobicContact CD1-CD1 4.39Å; L739-I743 HydrophobicContact CG-CD1 4.13Å; L739-I743 WeakPolarHBondContact O-CD1 3.36Å; L739-I743 VanDerWaalsContact O-CG1 3.3Å; L739-I743 WeakPolarHBondContact O-CG1 3.43Å; L739-I743 PolarHBondContact O-N 2.92Å; L739-I750 HydrophobicContact CD1-CG2 4.43Å; L739-L758 HydrophobicContact CD2-CD2 3.76Å; L739-L777 HydrophobicContact CD2-CD2 4.08Å; L739-L777 HydrophobicContact CG-CD1 4.43Å |
| 740 | N | 93.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 26 Ų | 26 | 15% | 0.15 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.6 | -177.2 | 53.9 | 0 | 0 | 0 | 112.2 | L736 V737 W738 L744 L777 T780 | L736-N740 VanDerWaalsContact O-CB 3.25Å; L736-N740 WeakPolarHBondContact O-CB 3.16Å; L736-N740 PolarHBondContact O-N 3.26Å; V737-N740 PolarHBondContact O-N 3.2Å; W738-N740 VanDerWaalsContact C-N 3.3Å; W738-N740 PolarHBondContact O-N 3.18Å; N740-L744 WeakPolarHBondContact O-CG 3.49Å; N740-L744 PolarHBondContact O-N 2.91Å; N740-L777 HydrophobicContact CB-CD1 3.88Å; N740-T780 WeakPolarHBondContact OD1-CB 3.48Å; N740-T780 PolarHBondContact OD1-OG1 2.84Å |
| 741 | Q | 92.7 | Very high | 88.9 | Confident | 90 Ų | 90 | 21.6 Ų | 21.6 | 42% | 0.421 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -68.7 | -40.5 | 176.9 | -171.8 | 63.8 | 21.1 | 0 | 0 | 111.8 | V737 W738 L739 I743 L744 E745 | V737-Q741 PolarHBondContact O-N 3.33Å; W738-Q741 PolarHBondContact O-N 3.34Å; W738-Q741 VanDerWaalsContact O-N 3.1Å; L739-Q741 PolarHBondContact O-N 3.24Å; Q741-I743 PolarHBondContact O-N 2.72Å; Q741-L744 PolarHBondContact O-N 3.47Å; Q741-L744 VanDerWaalsContact O-N 3.16Å; Q741-E745 HydrophobicContact CG-CG 4.4Å; Q741-E745 WeakPolarHBondContact CG-OE1 3.49Å; Q741-E745 PolarHBondContact NE2-OE1 2.72Å; Q741-E745 WeakPolarHBondContact O-CG 3.47Å; Q741-E745 PolarHBondContact O-N 3.11Å |
| 742 | S | 91.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | L712 W738 L739 L744 E745 F746 | L712-S742 WeakPolarHBondContact CD2-O 3.41Å; W738-S742 VanDerWaalsContact CE2-OG 3.3Å; W738-S742 WeakPolarHBondContact CZ2-OG 3.45Å; W738-S742 PolarHBondContact O-N 3.23Å; W738-S742 PolarHBondContact O-OG 2.97Å; L739-S742 PolarHBondContact O-N 2.83Å; S742-L744 VanDerWaalsContact C-N 3.29Å; S742-L744 PolarHBondContact O-N 2.71Å; S742-E745 PolarHBondContact O-N 2.76Å; S742-F746 WeakPolarHBondContact O-CD2 3.33Å; S742-F746 PolarHBondContact O-N 3.45Å |
| 743 | I | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -36 | 173.9 | -68 | 161.9 | 0 | 0 | 0 | 111.3 | L739 Q741 G747 F748 I750 L777 T780 I781 Y784 | L739-I743 HydrophobicContact CD1-CD1 4.39Å; L739-I743 HydrophobicContact CG-CD1 4.13Å; L739-I743 WeakPolarHBondContact O-CD1 3.36Å; L739-I743 VanDerWaalsContact O-CG1 3.3Å; L739-I743 WeakPolarHBondContact O-CG1 3.43Å; L739-I743 PolarHBondContact O-N 2.92Å; Q741-I743 PolarHBondContact O-N 2.72Å; I743-G747 CarbonylContact O-C 3.58Å; I743-G747 WeakPolarHBondContact O-CA 3.48Å; I743-G747 PolarHBondContact O-N 3.34Å; I743-F748 HydrophobicContact CG2-CB 4.39Å; I743-F748 HydrophobicContact CG2-CD2 4.16Å; I743-I750 HydrophobicContact CD1-CD1 3.63Å; I743-I750 HydrophobicContact CD1-CG1 4.47Å; I743-I750 HydrophobicContact CG1-CD1 4.11Å; I743-I750 HydrophobicContact CG1-CG1 4.47Å; I743-L777 HydrophobicContact CD1-CD1 3.7Å; I743-T780 HydrophobicContact CB-CG2 4.41Å; I743-T780 HydrophobicContact CG2-CG2 3.97Å; I743-I781 HydrophobicContact CD1-CD1 4.12Å; I743-I781 HydrophobicContact CD1-CG1 4.01Å; I743-Y784 HydrophobicContact CG2-CD2 4.18Å; I743-Y784 HydrophobicContact CG2-CE2 3.7Å; I743-Y784 PolarHBondContact O-OH 3.23Å |
| 744 | L | 87.1 | Confident | 86.2 | Confident | 40 Ų | 40 | 27.8 Ų | 27.8 | 21% | 0.209 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73 | -32.1 | 175.1 | -64.5 | 167.9 | 0 | 0 | 0 | 112.5 | N740 Q741 S742 T780 L783 P817 | N740-L744 WeakPolarHBondContact O-CG 3.49Å; N740-L744 PolarHBondContact O-N 2.91Å; Q741-L744 PolarHBondContact O-N 3.47Å; Q741-L744 VanDerWaalsContact O-N 3.16Å; S742-L744 VanDerWaalsContact C-N 3.29Å; S742-L744 PolarHBondContact O-N 2.71Å; L744-T780 HydrophobicContact CD1-CG2 4.5Å; L744-T780 HydrophobicContact CD2-CG2 3.74Å; L744-T780 HydrophobicContact CG-CG2 3.87Å; L744-L783 HydrophobicContact CD2-CD1 4.47Å; L744-P817 HydrophobicContact CB-CG 4.47Å; L744-P817 HydrophobicContact CD2-CG 3.71Å |
| 745 | E | 87.6 | Confident | 85.7 | Confident | 33 Ų | 33 | 25.8 Ų | 25.8 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -86.2 | -36.1 | -176.4 | -73 | -179.2 | -173 | 0 | 0 | 113.9 | Q741 S742 I820 R821 | Q741-E745 HydrophobicContact CG-CG 4.4Å; Q741-E745 WeakPolarHBondContact CG-OE1 3.49Å; Q741-E745 PolarHBondContact NE2-OE1 2.72Å; Q741-E745 WeakPolarHBondContact O-CG 3.47Å; Q741-E745 PolarHBondContact O-N 3.11Å; S742-E745 PolarHBondContact O-N 2.76Å; E745-I820 PolarHBondContact O-N 2.75Å; E745-R821 HydrophobicContact CB-CG 4.34Å; E745-R821 PolarHBondContact O-N 2.98Å; E745-R821 IonicContact OE2-CZ 2.67Å; E745-R821 IonicContact OE2-NE 3.71Å; E745-R821 PolarHBondContact OE2-NE 2.99Å; E745-R821 IonicContact OE2-NH2 3.3Å; E745-R821 PolarHBondContact OE2-NH2 3Å |
| 746 | F | 84.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -102.7 | -9.8 | 177.1 | -64.4 | -98.7 | 0 | 0 | 0 | 113.6 | T704 A707 E708 L712 S742 P819 R821 | T704-F746 HydrophobicContact CG2-CE2 4.16Å; T704-F746 HydrophobicContact CG2-CZ 4.23Å; A707-F746 HydrophobicContact CB-CE1 4.39Å; A707-F746 HydrophobicContact CB-CE2 4.3Å; A707-F746 HydrophobicContact CB-CZ 3.83Å; E708-F746 HydrophobicContact CG-CE1 3.92Å; E708-F746 HydrophobicContact CG-CZ 3.78Å; L712-F746 HydrophobicContact CB-CB 4.33Å; L712-F746 HydrophobicContact CB-CD2 4.49Å; L712-F746 HydrophobicContact CB-CG 4.25Å; L712-F746 HydrophobicContact CD2-CB 3.72Å; L712-F746 HydrophobicContact CD2-CD2 4Å; L712-F746 HydrophobicContact CD2-CG 4.1Å; S742-F746 WeakPolarHBondContact O-CD2 3.33Å; S742-F746 PolarHBondContact O-N 3.45Å; F746-P819 WeakPolarHBondContact O-CB 3.49Å; F746-P819 WeakPolarHBondContact O-CG 3.31Å; F746-R821 HydrophobicContact CD1-CB 3.63Å; F746-R821 HydrophobicContact CD2-CB 4.22Å; F746-R821 HydrophobicContact CE1-CB 3.63Å; F746-R821 HydrophobicContact CE2-CB 4.23Å; F746-R821 HydrophobicContact CG-CB 3.95Å; F746-R821 HydrophobicContact CZ-CB 3.96Å |
| 747 | G | 78.8 | Confident | 84.6 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | trans | 82 | 175 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I743 C749 | I743-G747 CarbonylContact O-C 3.58Å; I743-G747 WeakPolarHBondContact O-CA 3.48Å; I743-G747 PolarHBondContact O-N 3.34Å; G747-C749 VanDerWaalsContact C-N 3.28Å; G747-C749 PolarHBondContact O-N 3.11Å | ||
| 748 | F | 79.7 | Confident | 84.4 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -77.7 | 76.8 | 179.5 | -171.3 | -98.4 | 0 | 0 | 0 | 111.6 | I743 I750 A752 V755 I781 Y784 L785 L861 | I743-F748 HydrophobicContact CG2-CB 4.39Å; I743-F748 HydrophobicContact CG2-CD2 4.16Å; F748-I750 HydrophobicContact CD2-CD1 4.26Å; F748-I750 HydrophobicContact CD2-CG1 3.86Å; F748-I750 HydrophobicContact CE2-CD1 3.77Å; F748-I750 HydrophobicContact CE2-CG1 3.6Å; F748-I750 HydrophobicContact CZ-CD1 4.48Å; F748-I750 HydrophobicContact CZ-CG1 4.06Å; F748-A752 HydrophobicContact CE1-CB 4.2Å; F748-A752 HydrophobicContact CZ-CB 4.23Å; F748-V755 HydrophobicContact CE2-CG2 4.21Å; F748-V755 HydrophobicContact CZ-CG2 4.13Å; F748-I781 HydrophobicContact CD2-CG1 4.44Å; F748-I781 HydrophobicContact CD2-CG2 4.46Å; F748-I781 HydrophobicContact CE2-CD1 4.38Å; F748-I781 HydrophobicContact CE2-CG1 4.11Å; F748-I781 HydrophobicContact CE2-CG2 3.77Å; F748-I781 HydrophobicContact CZ-CG2 4.35Å; F748-Y784 HydrophobicContact CB-CD1 3.47Å; F748-Y784 VanDerWaalsContact CB-CD1 3.47Å; F748-Y784 HydrophobicContact CB-CD2 3.96Å; F748-Y784 HydrophobicContact CB-CE1 4Å; F748-Y784 HydrophobicContact CB-CE2 4.44Å; F748-Y784 HydrophobicContact CB-CG 3.46Å; F748-Y784 VanDerWaalsContact CB-CG 3.46Å; F748-Y784 HydrophobicContact CD2-CG 4.5Å; F748-Y784 HydrophobicContact CG-CG 4.1Å; F748-L785 HydrophobicContact CE1-CD1 4.46Å; F748-L785 HydrophobicContact CE1-CD2 3.91Å; F748-L785 HydrophobicContact CE1-CG 4.27Å; F748-L785 HydrophobicContact CZ-CD1 3.97Å; F748-L785 HydrophobicContact CZ-CD2 4.24Å; F748-L785 HydrophobicContact CZ-CG 4.14Å; F748-L861 HydrophobicContact CD1-CD1 4.16Å; F748-L861 HydrophobicContact CE1-CD1 4.11Å |
| 749 | C | 74.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 27.1 Ų | 27.1 | 30% | 0.297 | 15% | 0.147 | S | C | . | . | trans | -110.1 | 35.4 | 175.9 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | E713 G747 | E713-C749 WeakPolarHBondContact CA-O 3.46Å; E713-C749 VanDerWaalsContact CB-O 3.27Å; E713-C749 WeakPolarHBondContact CB-O 3.49Å; E713-C749 PolarHBondContact N-O 3.24Å; G747-C749 VanDerWaalsContact C-N 3.28Å; G747-C749 PolarHBondContact O-N 3.11Å | ||
| 750 | I | 80.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -109.6 | 150.3 | 178.1 | 54.2 | 161.7 | 0 | 0 | 0 | 111.3 | L712 M720 L739 I743 F748 A752 V755 | L712-I750 HydrophobicContact CD1-CG2 4.49Å; L712-I750 HydrophobicContact CD2-CG2 4.22Å; L712-I750 HydrophobicContact CG-CG2 3.86Å; M720-I750 HydrophobicContact CE-CB 3.81Å; M720-I750 HydrophobicContact CE-CD1 3.98Å; M720-I750 HydrophobicContact CE-CG1 4.39Å; M720-I750 HydrophobicContact CE-CG2 4.44Å; M720-I750 HydrophobicContact SD-CD1 3.82Å; L739-I750 HydrophobicContact CD1-CG2 4.43Å; I743-I750 HydrophobicContact CD1-CD1 3.63Å; I743-I750 HydrophobicContact CD1-CG1 4.47Å; I743-I750 HydrophobicContact CG1-CD1 4.11Å; I743-I750 HydrophobicContact CG1-CG1 4.47Å; F748-I750 HydrophobicContact CD2-CD1 4.26Å; F748-I750 HydrophobicContact CD2-CG1 3.86Å; F748-I750 HydrophobicContact CE2-CD1 3.77Å; F748-I750 HydrophobicContact CE2-CG1 3.6Å; F748-I750 HydrophobicContact CZ-CD1 4.48Å; F748-I750 HydrophobicContact CZ-CG1 4.06Å; I750-A752 PolarHBondContact O-N 3.04Å; I750-V755 HydrophobicContact CD1-CG2 3.8Å |
| 751 | P | 75.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 30.7 Ų | 30.7 | 20% | 0.201 | 17% | 0.171 | C | C | . | . | trans | -61.5 | 110.9 | 179.7 | -24.5 | 35.1 | 0 | 0 | 0 | 112.2 | E713 Q753 E754 | E713-P751 HydrophobicContact CG-CG 3.91Å; P751-Q753 PolarHBondContact O-N 2.81Å; P751-Q753 VanDerWaalsContact O-N 3.07Å; P751-E754 HydrophobicContact CB-CG 3.95Å; P751-E754 PolarHBondContact O-N 2.94Å; P751-E754 VanDerWaalsContact O-N 3.08Å | ||
| 752 | A | 71 | Confident | 83.6 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -21.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F748 I750 V755 L861 L862 | F748-A752 HydrophobicContact CE1-CB 4.2Å; F748-A752 HydrophobicContact CZ-CB 4.23Å; I750-A752 PolarHBondContact O-N 3.04Å; A752-V755 WeakPolarHBondContact O-CB 3.2Å; A752-L861 HydrophobicContact CB-CB 4.15Å; A752-L862 HydrophobicContact CB-CD2 3.92Å |
| 753 | Q | 72.6 | Confident | 83.6 | Confident | 118 Ų | 118 | 26.6 Ų | 26.6 | 55% | 0.551 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -65.7 | -34.7 | 176.4 | -60.3 | 178.6 | 25.7 | 0 | 0 | 112.9 | P751 P757 P863 | P751-Q753 PolarHBondContact O-N 2.81Å; P751-Q753 VanDerWaalsContact O-N 3.07Å; Q753-P757 VanDerWaalsContact O-CD 3.23Å; Q753-P757 WeakPolarHBondContact O-CD 3.49Å; Q753-P863 HydrophobicContact CG-CG 4.35Å |
| 754 | E | 80.6 | Confident | 83.7 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 23% | 0.229 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.6 | -22.1 | -176.9 | -55.2 | -78.4 | -169.4 | 0 | 0 | 112.2 | M720 R721 P751 G756 P757 L758 | M720-E754 HydrophobicContact CB-CB 4.13Å; M720-E754 HydrophobicContact CE-CB 3.58Å; M720-E754 HydrophobicContact CE-CG 4.17Å; M720-E754 HydrophobicContact SD-CB 3.98Å; R721-E754 IonicContact CZ-OE1 3.96Å; R721-E754 VanDerWaalsContact CZ-OE1 3.23Å; R721-E754 IonicContact NE-OE1 3.33Å; R721-E754 PolarHBondContact NE-OE1 2.91Å; R721-E754 IonicContact NE-OE2 2.64Å; R721-E754 IonicContact NH2-OE1 2.7Å; R721-E754 PolarHBondContact NH2-OE1 3.49Å; P751-E754 HydrophobicContact CB-CG 3.95Å; P751-E754 PolarHBondContact O-N 2.94Å; P751-E754 VanDerWaalsContact O-N 3.08Å; E754-G756 PolarHBondContact O-N 3.25Å; E754-P757 WeakPolarHBondContact O-CD 3.33Å; E754-L758 WeakPolarHBondContact O-CB 3.42Å; E754-L758 PolarHBondContact O-N 2.93Å; E754-L758 VanDerWaalsContact O-N 3.1Å |
| 755 | V | 84.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | -176.6 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | M720 F748 I750 A752 L758 L759 I781 L789 | M720-V755 HydrophobicContact SD-CG2 4.15Å; F748-V755 HydrophobicContact CE2-CG2 4.21Å; F748-V755 HydrophobicContact CZ-CG2 4.13Å; I750-V755 HydrophobicContact CD1-CG2 3.8Å; A752-V755 WeakPolarHBondContact O-CB 3.2Å; V755-L758 PolarHBondContact O-N 3.37Å; V755-L759 HydrophobicContact CG1-CD1 3.72Å; V755-L759 HydrophobicContact CG1-CG 4.27Å; V755-L759 WeakPolarHBondContact O-CB 3.49Å; V755-L759 WeakPolarHBondContact O-CG 3.32Å; V755-L759 PolarHBondContact O-N 2.92Å; V755-I781 HydrophobicContact CG1-CD1 3.73Å; V755-I781 HydrophobicContact CG1-CG2 4.11Å; V755-I781 HydrophobicContact CG2-CD1 4.2Å; V755-L789 HydrophobicContact CG1-CD1 4.36Å |
| 756 | G | 82.6 | Confident | 83.8 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -58.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E754 L758 L759 K760 | E754-G756 PolarHBondContact O-N 3.25Å; G756-L758 VanDerWaalsContact C-N 3.34Å; G756-L758 PolarHBondContact O-N 3.26Å; G756-L759 PolarHBondContact O-N 2.91Å; G756-K760 WeakPolarHBondContact O-CG 3.31Å; G756-K760 PolarHBondContact O-N 2.89Å |
| 757 | P | 85.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 35.5 Ų | 35.5 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -53.6 | -44.7 | 174.9 | -28.5 | 35.9 | 0 | 0 | 0 | 113.8 | Q753 E754 A761 | Q753-P757 VanDerWaalsContact O-CD 3.23Å; Q753-P757 WeakPolarHBondContact O-CD 3.49Å; E754-P757 WeakPolarHBondContact O-CD 3.33Å; P757-A761 VanDerWaalsContact O-CB 3.32Å; P757-A761 WeakPolarHBondContact O-CB 3.36Å; P757-A761 PolarHBondContact O-N 2.83Å |
| 758 | L | 90.5 | Very high | 84.6 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -51.8 | 177.9 | -178.7 | 83.1 | 0 | 0 | 0 | 112 | M720 F724 L736 L739 E754 V755 G756 A761 G762 L777 | M720-L758 HydrophobicContact CB-CD1 4.18Å; M720-L758 HydrophobicContact CG-CD1 4.24Å; M720-L758 HydrophobicContact CG-CD2 3.85Å; M720-L758 HydrophobicContact CG-CG 4.48Å; M720-L758 HydrophobicContact SD-CD2 4.07Å; F724-L758 HydrophobicContact CD2-CD1 4.01Å; F724-L758 HydrophobicContact CE2-CD1 3.65Å; F724-L758 HydrophobicContact CE2-CG 4.21Å; F724-L758 WeakPolarHBondContact CE2-O 3.18Å; L736-L758 HydrophobicContact CD2-CD1 4.46Å; L736-L758 HydrophobicContact CD2-CD2 4.35Å; L736-L758 HydrophobicContact CD2-CG 4.44Å; L739-L758 HydrophobicContact CD2-CD2 3.76Å; E754-L758 WeakPolarHBondContact O-CB 3.42Å; E754-L758 PolarHBondContact O-N 2.93Å; E754-L758 VanDerWaalsContact O-N 3.1Å; V755-L758 PolarHBondContact O-N 3.37Å; G756-L758 VanDerWaalsContact C-N 3.34Å; G756-L758 PolarHBondContact O-N 3.26Å; L758-A761 PolarHBondContact O-N 2.95Å; L758-G762 PolarHBondContact O-N 3.3Å; L758-L777 HydrophobicContact CD2-CD2 3.59Å |
| 759 | L | 90.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | -176.2 | -70.5 | 178.2 | 0 | 0 | 0 | 110.8 | V755 G756 A761 G762 L763 S774 L777 A778 L789 L793 | V755-L759 HydrophobicContact CG1-CD1 3.72Å; V755-L759 HydrophobicContact CG1-CG 4.27Å; V755-L759 WeakPolarHBondContact O-CB 3.49Å; V755-L759 WeakPolarHBondContact O-CG 3.32Å; V755-L759 PolarHBondContact O-N 2.92Å; G756-L759 PolarHBondContact O-N 2.91Å; L759-A761 PolarHBondContact O-N 3.25Å; L759-G762 PolarHBondContact O-N 2.95Å; L759-L763 HydrophobicContact CB-CD1 4.19Å; L759-L763 WeakPolarHBondContact O-CB 3.46Å; L759-L763 WeakPolarHBondContact O-CD1 3.36Å; L759-L763 WeakPolarHBondContact O-CG 3.47Å; L759-L763 PolarHBondContact O-N 2.79Å; L759-S774 WeakPolarHBondContact CD2-O 3.07Å; L759-L777 HydrophobicContact CD2-CB 4.27Å; L759-L777 HydrophobicContact CD2-CD2 4.01Å; L759-L777 HydrophobicContact CD2-CG 4.06Å; L759-A778 HydrophobicContact CD1-CB 3.95Å; L759-A778 HydrophobicContact CD2-CB 4.03Å; L759-L789 HydrophobicContact CD1-CD1 3.85Å; L759-L793 HydrophobicContact CB-CD2 4.26Å; L759-L793 HydrophobicContact CD1-CD1 4.28Å |
| 760 | K | 89.8 | Confident | 86.2 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 177.3 | -67.9 | -171.7 | 174 | -178.7 | 0 | 112.6 | G756 N764 L792 L793 D795 E796 | G756-K760 WeakPolarHBondContact O-CG 3.31Å; G756-K760 PolarHBondContact O-N 2.89Å; K760-N764 WeakPolarHBondContact O-CB 3.36Å; K760-N764 PolarHBondContact O-N 2.97Å; K760-N764 VanDerWaalsContact O-N 3.15Å; K760-N764 PolarHBondContact O-ND2 3.2Å; K760-L792 WeakPolarHBondContact CE-O 3.5Å; K760-L792 PolarHBondContact NZ-O 3.41Å; K760-L793 HydrophobicContact CG-CD2 3.86Å; K760-D795 WeakPolarHBondContact CE-OD1 3.31Å; K760-D795 IonicContact NZ-OD1 3.74Å; K760-D795 PolarHBondContact NZ-OD1 3.27Å; K760-D795 IonicContact NZ-OD2 2.69Å; K760-D795 PolarHBondContact NZ-OD2 2.89Å; K760-E796 WeakPolarHBondContact CG-OE1 3.35Å |
| 761 | A | 89.7 | Confident | 86.8 | Confident | 47 Ų | 47 | 44 Ų | 44 | 39% | 0.388 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F724 P757 L758 L759 A765 | F724-A761 HydrophobicContact CD2-CB 3.87Å; F724-A761 HydrophobicContact CE2-CB 4.1Å; F724-A761 HydrophobicContact CG-CB 4.19Å; P757-A761 VanDerWaalsContact O-CB 3.32Å; P757-A761 WeakPolarHBondContact O-CB 3.36Å; P757-A761 PolarHBondContact O-N 2.83Å; L758-A761 PolarHBondContact O-N 2.95Å; L759-A761 PolarHBondContact O-N 3.25Å; A761-A765 PolarHBondContact O-N 3.4Å |
| 762 | G | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.2 | -38.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L758 L759 N764 A765 R771 S774 | L758-G762 PolarHBondContact O-N 3.3Å; L759-G762 PolarHBondContact O-N 2.95Å; G762-N764 VanDerWaalsContact C-N 3.32Å; G762-N764 PolarHBondContact O-N 2.8Å; G762-A765 WeakPolarHBondContact O-CB 3.26Å; G762-A765 PolarHBondContact O-N 2.79Å; G762-R771 WeakPolarHBondContact O-CA 3.32Å; G762-R771 WeakPolarHBondContact O-CG 3.33Å; G762-S774 VanDerWaalsContact C-OG 3.31Å; G762-S774 WeakPolarHBondContact CA-OG 3.32Å |
| 763 | L | 90.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -27.1 | 176.9 | -70.8 | 164.2 | 0 | 0 | 0 | 112.8 | L759 R771 L775 L793 L800 L804 | L759-L763 HydrophobicContact CB-CD1 4.19Å; L759-L763 WeakPolarHBondContact O-CB 3.46Å; L759-L763 WeakPolarHBondContact O-CD1 3.36Å; L759-L763 WeakPolarHBondContact O-CG 3.47Å; L759-L763 PolarHBondContact O-N 2.79Å; L763-R771 WeakPolarHBondContact O-CD 3.26Å; L763-R771 VanDerWaalsContact O-CG 3.29Å; L763-R771 WeakPolarHBondContact O-CG 3.31Å; L763-L775 HydrophobicContact CD2-CB 4.12Å; L763-L793 HydrophobicContact CD1-CD1 4.48Å; L763-L800 HydrophobicContact CB-CD1 4.15Å; L763-L800 HydrophobicContact CB-CD2 3.87Å; L763-L800 HydrophobicContact CD1-CD2 4.13Å; L763-L800 HydrophobicContact CD2-CD1 4.39Å; L763-L800 HydrophobicContact CD2-CD2 4.44Å; L763-L800 HydrophobicContact CG-CD2 4.36Å; L763-L804 HydrophobicContact CD1-CD1 4.28Å; L763-L804 HydrophobicContact CD1-CD2 4.04Å; L763-L804 HydrophobicContact CD2-CD2 4.45Å |
| 764 | N | 89.6 | Confident | 89.8 | Confident | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4.5 | 171.6 | -74.7 | -81.8 | 0 | 0 | 0 | 113.7 | K760 G762 E796 K797 | K760-N764 WeakPolarHBondContact O-CB 3.36Å; K760-N764 PolarHBondContact O-N 2.97Å; K760-N764 VanDerWaalsContact O-N 3.15Å; K760-N764 PolarHBondContact O-ND2 3.2Å; G762-N764 VanDerWaalsContact C-N 3.32Å; G762-N764 PolarHBondContact O-N 2.8Å; N764-E796 VanDerWaalsContact ND2-CD 3.3Å; N764-E796 PolarHBondContact ND2-OE1 3.29Å; N764-E796 PolarHBondContact ND2-OE2 3.11Å; N764-K797 PolarHBondContact OD1-NZ 2.83Å |
| 765 | A | 89 | Confident | 90.4 | Very high | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | trans | -63.3 | 140.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A761 G762 N767 V770 R771 | A761-A765 PolarHBondContact O-N 3.4Å; G762-A765 WeakPolarHBondContact O-CB 3.26Å; G762-A765 PolarHBondContact O-N 2.79Å; A765-N767 VanDerWaalsContact C-N 3.33Å; A765-N767 PolarHBondContact O-N 3.36Å; A765-V770 HydrophobicContact CB-CB 3.98Å; A765-V770 HydrophobicContact CB-CG1 3.54Å; A765-R771 HydrophobicContact CB-CG 4.39Å; A765-R771 WeakPolarHBondContact O-CD 3.44Å; A765-R771 WeakPolarHBondContact O-CG 3.43Å; A765-R771 PolarHBondContact O-NE 3.01Å | ||
| 766 | T | 87.5 | Confident | 90.8 | Very high | 134 Ų | 134 | 42.9 Ų | 42.9 | 82% | 0.822 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -62.1 | -39.6 | -177.5 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | P768 R771 | T766-P768 WeakPolarHBondContact O-CD 3.25Å; T766-R771 PolarHBondContact O-NH2 3.39Å |
| 767 | N | 91.2 | Very high | 91.3 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -71.1 | 124.1 | -178.8 | -170.1 | -52.6 | 0 | 0 | 0 | 112.2 | P729 A765 S769 V770 R771 | P729-N767 HydrophobicContact CB-CB 4.11Å; P729-N767 WeakPolarHBondContact CB-ND2 3.31Å; A765-N767 VanDerWaalsContact C-N 3.33Å; A765-N767 PolarHBondContact O-N 3.36Å; N767-S769 VanDerWaalsContact C-N 3.31Å; N767-S769 PolarHBondContact O-N 3.41Å; N767-S769 WeakPolarHBondContact OD1-CB 3.34Å; N767-S769 PolarHBondContact OD1-N 3.31Å; N767-S769 PolarHBondContact OD1-OG 2.97Å; N767-V770 HydrophobicContact CB-CB 4.37Å; N767-V770 HydrophobicContact CB-CG2 3.92Å; N767-V770 PolarHBondContact O-N 2.9Å; N767-R771 PolarHBondContact O-N 2.98Å |
| 768 | P | 90.6 | Very high | 91.6 | Very high | 90 Ų | 90 | 38.4 Ų | 38.4 | 58% | 0.584 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.6 | -31.3 | 179.8 | -25.6 | 35.1 | 0 | 0 | 0 | 115.3 | T766 R771 Q772 | T766-P768 WeakPolarHBondContact O-CD 3.25Å; P768-R771 PolarHBondContact O-N 2.96Å; P768-Q772 PolarHBondContact O-N 3.1Å |
| 769 | S | 91.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.1 | -38.2 | 179.8 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | T733 N767 Q772 S773 | T733-S769 PolarHBondContact OG1-OG 3.13Å; N767-S769 VanDerWaalsContact C-N 3.31Å; N767-S769 PolarHBondContact O-N 3.41Å; N767-S769 WeakPolarHBondContact OD1-CB 3.34Å; N767-S769 PolarHBondContact OD1-N 3.31Å; N767-S769 PolarHBondContact OD1-OG 2.97Å; S769-Q772 PolarHBondContact O-N 3.29Å; S769-S773 PolarHBondContact O-N 2.89Å; S769-S773 PolarHBondContact O-OG 2.88Å |
| 770 | V | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -49.8 | 174.9 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | F724 P729 Q732 T733 L736 A765 N767 Q772 S773 S774 | F724-V770 HydrophobicContact CE1-CG1 3.72Å; F724-V770 HydrophobicContact CZ-CG1 4.18Å; P729-V770 HydrophobicContact CB-CG2 4.22Å; Q732-V770 HydrophobicContact CB-CG1 4.4Å; Q732-V770 HydrophobicContact CB-CG2 3.97Å; T733-V770 VanDerWaalsContact OG1-CG2 3.27Å; T733-V770 WeakPolarHBondContact OG1-CG2 3.5Å; T733-V770 PolarHBondContact OG1-N 3.47Å; L736-V770 HydrophobicContact CD1-CG1 3.94Å; A765-V770 HydrophobicContact CB-CB 3.98Å; A765-V770 HydrophobicContact CB-CG1 3.54Å; N767-V770 HydrophobicContact CB-CB 4.37Å; N767-V770 HydrophobicContact CB-CG2 3.92Å; N767-V770 PolarHBondContact O-N 2.9Å; V770-Q772 VanDerWaalsContact C-N 3.33Å; V770-Q772 PolarHBondContact O-N 3.12Å; V770-S773 PolarHBondContact O-N 3.37Å; V770-S774 PolarHBondContact O-N 3Å; V770-S774 PolarHBondContact O-OG 3.36Å; V770-S774 VanDerWaalsContact O-OG 3.1Å |
| 771 | R | 92.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 36.1 Ų | 36.1 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 176 | -74.5 | -172 | -87.3 | 154.1 | -9.7 | 113.2 | G762 L763 A765 T766 N767 P768 S774 L775 | G762-R771 WeakPolarHBondContact O-CA 3.32Å; G762-R771 WeakPolarHBondContact O-CG 3.33Å; L763-R771 WeakPolarHBondContact O-CD 3.26Å; L763-R771 VanDerWaalsContact O-CG 3.29Å; L763-R771 WeakPolarHBondContact O-CG 3.31Å; A765-R771 HydrophobicContact CB-CG 4.39Å; A765-R771 WeakPolarHBondContact O-CD 3.44Å; A765-R771 WeakPolarHBondContact O-CG 3.43Å; A765-R771 PolarHBondContact O-NE 3.01Å; T766-R771 PolarHBondContact O-NH2 3.39Å; N767-R771 PolarHBondContact O-N 2.98Å; P768-R771 PolarHBondContact O-N 2.96Å; R771-S774 PolarHBondContact O-N 3.34Å; R771-L775 WeakPolarHBondContact O-CB 3.47Å; R771-L775 PolarHBondContact O-N 3.01Å |
| 772 | Q | 93.8 | Very high | 91.2 | Very high | 94 Ų | 94 | 34.1 Ų | 34.1 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 178.3 | -171.3 | 61.6 | 54.7 | 0 | 0 | 112 | P768 S769 V770 S774 L775 N776 | P768-Q772 PolarHBondContact O-N 3.1Å; S769-Q772 PolarHBondContact O-N 3.29Å; V770-Q772 VanDerWaalsContact C-N 3.33Å; V770-Q772 PolarHBondContact O-N 3.12Å; Q772-S774 VanDerWaalsContact C-N 3.34Å; Q772-L775 PolarHBondContact O-N 2.91Å; Q772-N776 PolarHBondContact NE2-OD1 3.45Å; Q772-N776 PolarHBondContact O-N 3Å; Q772-N776 PolarHBondContact O-OD1 3.25Å; Q772-N776 VanDerWaalsContact O-OD1 3.14Å |
| 773 | S | 94.5 | Very high | 90.7 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 112.4 | T733 V737 S769 V770 N776 L777 | T733-S773 WeakPolarHBondContact CG2-OG 3.45Å; V737-S773 WeakPolarHBondContact CG2-OG 3.24Å; S769-S773 PolarHBondContact O-N 2.89Å; S769-S773 PolarHBondContact O-OG 2.88Å; V770-S773 PolarHBondContact O-N 3.37Å; S773-N776 PolarHBondContact O-N 3.16Å; S773-L777 WeakPolarHBondContact O-CB 3.32Å; S773-L777 PolarHBondContact O-N 3.37Å |
| 774 | S | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 173.7 | -57.7 | 0 | 0 | 0 | 0 | 112.8 | L736 L759 G762 V770 R771 Q772 L777 A778 | L736-S774 VanDerWaalsContact CD1-OG 3.27Å; L736-S774 WeakPolarHBondContact CD1-OG 3.27Å; L759-S774 WeakPolarHBondContact CD2-O 3.07Å; G762-S774 VanDerWaalsContact C-OG 3.31Å; G762-S774 WeakPolarHBondContact CA-OG 3.32Å; V770-S774 PolarHBondContact O-N 3Å; V770-S774 PolarHBondContact O-OG 3.36Å; V770-S774 VanDerWaalsContact O-OG 3.1Å; R771-S774 PolarHBondContact O-N 3.34Å; Q772-S774 VanDerWaalsContact C-N 3.34Å; S774-L777 PolarHBondContact O-N 3.17Å; S774-A778 WeakPolarHBondContact O-CB 3.33Å; S774-A778 PolarHBondContact O-N 3.49Å |
| 775 | L | 92.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 173.8 | -179.6 | 59.3 | 0 | 0 | 0 | 111.4 | L763 R771 Q772 A778 G779 L803 L804 E807 | L763-L775 HydrophobicContact CD2-CB 4.12Å; R771-L775 WeakPolarHBondContact O-CB 3.47Å; R771-L775 PolarHBondContact O-N 3.01Å; Q772-L775 PolarHBondContact O-N 2.91Å; L775-A778 PolarHBondContact O-N 3.2Å; L775-G779 PolarHBondContact O-N 2.83Å; L775-L803 HydrophobicContact CD1-CB 4.44Å; L775-L803 HydrophobicContact CD2-CB 4.08Å; L775-L804 HydrophobicContact CD1-CD2 3.8Å; L775-L804 HydrophobicContact CD1-CG 4.12Å; L775-E807 HydrophobicContact CD1-CB 4Å; L775-E807 HydrophobicContact CD1-CG 4.48Å; L775-E807 HydrophobicContact CG-CB 4.34Å; L775-E807 HydrophobicContact CG-CG 4.34Å |
| 776 | N | 92.8 | Very high | 89 | Confident | 61 Ų | 61 | 38 Ų | 38 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 175.1 | -64.4 | -2.9 | 0 | 0 | 0 | 111.5 | Q772 S773 G779 T780 | Q772-N776 PolarHBondContact NE2-OD1 3.45Å; Q772-N776 PolarHBondContact O-N 3Å; Q772-N776 PolarHBondContact O-OD1 3.25Å; Q772-N776 VanDerWaalsContact O-OD1 3.14Å; S773-N776 PolarHBondContact O-N 3.16Å; N776-G779 PolarHBondContact O-N 3.22Å; N776-T780 PolarHBondContact O-N 3.34Å |
| 777 | L | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 177 | 178.1 | 64.1 | 0 | 0 | 0 | 112 | L736 L739 N740 I743 L758 L759 S773 S774 G779 T780 I781 | L736-L777 HydrophobicContact CD2-CD2 3.76Å; L739-L777 HydrophobicContact CD2-CD2 4.08Å; L739-L777 HydrophobicContact CG-CD1 4.43Å; N740-L777 HydrophobicContact CB-CD1 3.88Å; I743-L777 HydrophobicContact CD1-CD1 3.7Å; L758-L777 HydrophobicContact CD2-CD2 3.59Å; L759-L777 HydrophobicContact CD2-CB 4.27Å; L759-L777 HydrophobicContact CD2-CD2 4.01Å; L759-L777 HydrophobicContact CD2-CG 4.06Å; S773-L777 WeakPolarHBondContact O-CB 3.32Å; S773-L777 PolarHBondContact O-N 3.37Å; S774-L777 PolarHBondContact O-N 3.17Å; L777-G779 VanDerWaalsContact C-N 3.31Å; L777-G779 PolarHBondContact O-N 3.24Å; L777-T780 PolarHBondContact O-N 3.24Å; L777-I781 HydrophobicContact CD1-CD1 3.97Å; L777-I781 HydrophobicContact CD1-CG1 4.29Å; L777-I781 HydrophobicContact CG-CD1 3.97Å; L777-I781 WeakPolarHBondContact O-CG1 3.45Å; L777-I781 PolarHBondContact O-N 3.34Å |
| 778 | A | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L759 S774 L775 T780 I781 H782 L789 L804 F808 | L759-A778 HydrophobicContact CD1-CB 3.95Å; L759-A778 HydrophobicContact CD2-CB 4.03Å; S774-A778 WeakPolarHBondContact O-CB 3.33Å; S774-A778 PolarHBondContact O-N 3.49Å; L775-A778 PolarHBondContact O-N 3.2Å; A778-T780 VanDerWaalsContact C-N 3.33Å; A778-T780 PolarHBondContact O-N 2.64Å; A778-I781 PolarHBondContact O-N 2.95Å; A778-H782 PolarHBondContact O-N 3.13Å; A778-L789 HydrophobicContact CB-CD2 4.44Å; A778-L789 WeakPolarHBondContact O-CD2 3.29Å; A778-L804 HydrophobicContact CB-CD2 3.76Å; A778-F808 HydrophobicContact CB-CE1 4.15Å |
| 779 | G | 90 | Very high | 86.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L775 N776 L777 H782 N811 | L775-G779 PolarHBondContact O-N 2.83Å; N776-G779 PolarHBondContact O-N 3.22Å; L777-G779 VanDerWaalsContact C-N 3.31Å; L777-G779 PolarHBondContact O-N 3.24Å; G779-H782 WeakPolarHBondContact O-CB 3.45Å; G779-N811 PolarHBondContact O-ND2 3.48Å |
| 780 | T | 87.5 | Confident | 85.6 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | N740 I743 L744 N776 L777 A778 H782 L783 Y784 | N740-T780 WeakPolarHBondContact OD1-CB 3.48Å; N740-T780 PolarHBondContact OD1-OG1 2.84Å; I743-T780 HydrophobicContact CB-CG2 4.41Å; I743-T780 HydrophobicContact CG2-CG2 3.97Å; L744-T780 HydrophobicContact CD1-CG2 4.5Å; L744-T780 HydrophobicContact CD2-CG2 3.74Å; L744-T780 HydrophobicContact CG-CG2 3.87Å; N776-T780 PolarHBondContact O-N 3.34Å; L777-T780 PolarHBondContact O-N 3.24Å; A778-T780 VanDerWaalsContact C-N 3.33Å; A778-T780 PolarHBondContact O-N 2.64Å; T780-H782 PolarHBondContact O-N 2.89Å; T780-L783 VanDerWaalsContact O-CB 3.25Å; T780-L783 WeakPolarHBondContact O-CB 3.24Å; T780-L783 PolarHBondContact O-N 2.96Å; T780-Y784 HydrophobicContact CG2-CE2 4.4Å; T780-Y784 WeakPolarHBondContact O-CD2 3.29Å |
| 781 | I | 87.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -29.8 | -179.3 | -67.5 | 174.8 | 0 | 0 | 0 | 111.4 | I743 F748 V755 L777 A778 L783 Y784 L785 L789 | I743-I781 HydrophobicContact CD1-CD1 4.12Å; I743-I781 HydrophobicContact CD1-CG1 4.01Å; F748-I781 HydrophobicContact CD2-CG1 4.44Å; F748-I781 HydrophobicContact CD2-CG2 4.46Å; F748-I781 HydrophobicContact CE2-CD1 4.38Å; F748-I781 HydrophobicContact CE2-CG1 4.11Å; F748-I781 HydrophobicContact CE2-CG2 3.77Å; F748-I781 HydrophobicContact CZ-CG2 4.35Å; V755-I781 HydrophobicContact CG1-CD1 3.73Å; V755-I781 HydrophobicContact CG1-CG2 4.11Å; V755-I781 HydrophobicContact CG2-CD1 4.2Å; L777-I781 HydrophobicContact CD1-CD1 3.97Å; L777-I781 HydrophobicContact CD1-CG1 4.29Å; L777-I781 HydrophobicContact CG-CD1 3.97Å; L777-I781 WeakPolarHBondContact O-CG1 3.45Å; L777-I781 PolarHBondContact O-N 3.34Å; A778-I781 PolarHBondContact O-N 2.95Å; I781-L783 PolarHBondContact O-N 3.34Å; I781-Y784 PolarHBondContact O-N 3.39Å; I781-L785 HydrophobicContact CG2-CB 4.46Å; I781-L785 HydrophobicContact CG2-CD1 3.65Å; I781-L785 HydrophobicContact CG2-CG 3.97Å; I781-L785 PolarHBondContact O-N 2.95Å; I781-L789 HydrophobicContact CB-CD2 4.21Å; I781-L789 HydrophobicContact CG2-CD1 4.35Å; I781-L789 HydrophobicContact CG2-CD2 4.1Å |
| 782 | H | 86.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -29.4 | 171.3 | -173.8 | -68.5 | 0 | 0 | 0 | 113 | A778 G779 T780 Y784 N786 L789 F808 | A778-H782 PolarHBondContact O-N 3.13Å; G779-H782 WeakPolarHBondContact O-CB 3.45Å; T780-H782 PolarHBondContact O-N 2.89Å; H782-Y784 PolarHBondContact O-N 3.38Å; H782-Y784 VanDerWaalsContact O-N 3.16Å; H782-N786 VanDerWaalsContact O-CA 3.28Å; H782-N786 WeakPolarHBondContact O-CA 3.45Å; H782-N786 PolarHBondContact O-N 3.25Å; H782-N786 PolarHBondContact O-OD1 2.68Å; H782-L789 HydrophobicContact CB-CD2 4.06Å; H782-F808 HydrophobicContact CB-CD1 3.62Å; H782-F808 HydrophobicContact CB-CE1 3.91Å; H782-F808 HydrophobicContact CB-CG 4.38Å; H782-F808 AromaticContact CD2-CD1 3.39Å; H782-F808 WeakPolarHBondContact CD2-CD1 3.45Å; H782-F808 AromaticContact CD2-CD2 3.72Å; H782-F808 AromaticContact CD2-CE1 3.96Å; H782-F808 AromaticContact CD2-CG 3.26Å; H782-F808 WeakPolarHBondContact CD2-CG 3.1Å; H782-F808 AromaticContact CG-CD1 3.68Å; H782-F808 AromaticContact CG-CG 3.94Å; H782-F808 AromaticContact NE2-CG 3.89Å |
| 783 | L | 81.5 | Confident | 83.1 | Confident | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -19.7 | 175.9 | -62.9 | 166.9 | 0 | 0 | 0 | 113 | L744 T780 I781 N811 K814 A816 | L744-L783 HydrophobicContact CD2-CD1 4.47Å; T780-L783 VanDerWaalsContact O-CB 3.25Å; T780-L783 WeakPolarHBondContact O-CB 3.24Å; T780-L783 PolarHBondContact O-N 2.96Å; I781-L783 PolarHBondContact O-N 3.34Å; L783-N811 HydrophobicContact CD2-CB 3.74Å; L783-N811 HydrophobicContact CG-CB 4.39Å; L783-K814 HydrophobicContact CD2-CB 3.84Å; L783-K814 WeakPolarHBondContact CD2-O 3.22Å; L783-A816 HydrophobicContact CB-CB 4.17Å |
| 784 | Y | 80.3 | Confident | 82.3 | Confident | 45 Ų | 45 | 35.6 Ų | 35.6 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -110.9 | -37.7 | -177.8 | -56.9 | -90.3 | 0 | 0 | 0 | 112.5 | I743 F748 T780 I781 H782 A816 | I743-Y784 HydrophobicContact CG2-CD2 4.18Å; I743-Y784 HydrophobicContact CG2-CE2 3.7Å; I743-Y784 PolarHBondContact O-OH 3.23Å; F748-Y784 HydrophobicContact CB-CD1 3.47Å; F748-Y784 VanDerWaalsContact CB-CD1 3.47Å; F748-Y784 HydrophobicContact CB-CD2 3.96Å; F748-Y784 HydrophobicContact CB-CE1 4Å; F748-Y784 HydrophobicContact CB-CE2 4.44Å; F748-Y784 HydrophobicContact CB-CG 3.46Å; F748-Y784 VanDerWaalsContact CB-CG 3.46Å; F748-Y784 HydrophobicContact CD2-CG 4.5Å; F748-Y784 HydrophobicContact CG-CG 4.1Å; T780-Y784 HydrophobicContact CG2-CE2 4.4Å; T780-Y784 WeakPolarHBondContact O-CD2 3.29Å; I781-Y784 PolarHBondContact O-N 3.39Å; H782-Y784 PolarHBondContact O-N 3.38Å; H782-Y784 VanDerWaalsContact O-N 3.16Å; Y784-A816 HydrophobicContact CD1-CB 3.92Å; Y784-A816 HydrophobicContact CE1-CB 3.55Å; Y784-A816 HydrophobicContact CE2-CB 4.38Å; Y784-A816 HydrophobicContact CG-CB 4.49Å |
| 785 | L | 77 | Confident | 81.5 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -99.6 | -14.1 | -177.7 | -63.4 | -174.2 | 0 | 0 | 0 | 114.8 | F748 I781 D787 R788 L789 | F748-L785 HydrophobicContact CE1-CD1 4.46Å; F748-L785 HydrophobicContact CE1-CD2 3.91Å; F748-L785 HydrophobicContact CE1-CG 4.27Å; F748-L785 HydrophobicContact CZ-CD1 3.97Å; F748-L785 HydrophobicContact CZ-CD2 4.24Å; F748-L785 HydrophobicContact CZ-CG 4.14Å; I781-L785 HydrophobicContact CG2-CB 4.46Å; I781-L785 HydrophobicContact CG2-CD1 3.65Å; I781-L785 HydrophobicContact CG2-CG 3.97Å; I781-L785 PolarHBondContact O-N 2.95Å; L785-D787 PolarHBondContact O-N 2.94Å; L785-R788 WeakPolarHBondContact O-CB 2.98Å; L785-R788 PolarHBondContact O-N 3.34Å; L785-L789 HydrophobicContact CB-CB 4.2Å |
| 786 | N | 76.5 | Confident | 81.2 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | -134.3 | -178.2 | -62.4 | -69.1 | 0 | 0 | 0 | 112.6 | H782 R788 L789 | H782-N786 VanDerWaalsContact O-CA 3.28Å; H782-N786 WeakPolarHBondContact O-CA 3.45Å; H782-N786 PolarHBondContact O-N 3.25Å; H782-N786 PolarHBondContact O-OD1 2.68Å; N786-R788 PolarHBondContact O-N 3.41Å; N786-R788 VanDerWaalsContact O-N 3.07Å; N786-L789 WeakPolarHBondContact O-CB 3.47Å; N786-L789 PolarHBondContact O-N 2.83Å |
| 787 | D | 69.4 | Low | 80.7 | Confident | 111 Ų | 111 | 45.1 Ų | 45.1 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.3 | -20.3 | -175.1 | -63 | -46.7 | 0 | 0 | 0 | 114.2 | L785 L789 V790 T791 | L785-D787 PolarHBondContact O-N 2.94Å; D787-L789 VanDerWaalsContact C-N 3.25Å; D787-L789 PolarHBondContact O-N 3.48Å; D787-V790 VanDerWaalsContact O-CB 3.32Å; D787-V790 WeakPolarHBondContact O-CB 3.3Å; D787-V790 PolarHBondContact O-N 2.91Å; D787-T791 PolarHBondContact O-N 3.21Å; D787-T791 VanDerWaalsContact O-N 3.09Å; D787-T791 PolarHBondContact O-OG1 2.92Å |
| 788 | R | 66.1 | Low | 80.2 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -32.2 | 175.3 | -62 | -60.4 | -159.2 | -177.7 | 6.9 | 112 | L785 N786 V790 T791 L792 | L785-R788 WeakPolarHBondContact O-CB 2.98Å; L785-R788 PolarHBondContact O-N 3.34Å; N786-R788 PolarHBondContact O-N 3.41Å; N786-R788 VanDerWaalsContact O-N 3.07Å; R788-V790 VanDerWaalsContact C-N 3.32Å; R788-T791 PolarHBondContact O-N 2.99Å; R788-L792 WeakPolarHBondContact O-CG 3.14Å; R788-L792 PolarHBondContact O-N 3.42Å; R788-L792 VanDerWaalsContact O-N 3.08Å |
| 789 | L | 76.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 173.8 | -174.4 | 64.4 | 0 | 0 | 0 | 111.7 | V755 L759 A778 I781 H782 L785 N786 D787 T791 L792 L793 F808 | V755-L789 HydrophobicContact CG1-CD1 4.36Å; L759-L789 HydrophobicContact CD1-CD1 3.85Å; A778-L789 HydrophobicContact CB-CD2 4.44Å; A778-L789 WeakPolarHBondContact O-CD2 3.29Å; I781-L789 HydrophobicContact CB-CD2 4.21Å; I781-L789 HydrophobicContact CG2-CD1 4.35Å; I781-L789 HydrophobicContact CG2-CD2 4.1Å; H782-L789 HydrophobicContact CB-CD2 4.06Å; L785-L789 HydrophobicContact CB-CB 4.2Å; N786-L789 WeakPolarHBondContact O-CB 3.47Å; N786-L789 PolarHBondContact O-N 2.83Å; D787-L789 VanDerWaalsContact C-N 3.25Å; D787-L789 PolarHBondContact O-N 3.48Å; L789-T791 VanDerWaalsContact C-N 3.33Å; L789-L792 PolarHBondContact O-N 3.32Å; L789-L793 HydrophobicContact CD1-CD1 4.08Å; L789-L793 HydrophobicContact CD1-CG 4.45Å; L789-L793 HydrophobicContact CG-CD1 4.14Å; L789-L793 PolarHBondContact O-N 3.07Å; L789-F808 HydrophobicContact CD2-CE1 3.82Å; L789-F808 HydrophobicContact CD2-CZ 3.91Å; L789-F808 HydrophobicContact CG-CZ 4.19Å |
| 790 | V | 77.2 | Confident | 79.5 | Confident | 46 Ų | 46 | 55 Ų | 55 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 110 | D787 R788 L793 A794 F808 | D787-V790 VanDerWaalsContact O-CB 3.32Å; D787-V790 WeakPolarHBondContact O-CB 3.3Å; D787-V790 PolarHBondContact O-N 2.91Å; R788-V790 VanDerWaalsContact C-N 3.32Å; V790-L793 PolarHBondContact O-N 3.08Å; V790-A794 PolarHBondContact O-N 2.83Å; V790-A794 VanDerWaalsContact O-N 3.13Å; V790-F808 HydrophobicContact CG2-CD2 3.88Å; V790-F808 HydrophobicContact CG2-CE2 3.85Å |
| 791 | T | 74.4 | Confident | 79.4 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 174 | -43.4 | 0 | 0 | 0 | 0 | 112.5 | D787 R788 L789 L793 A794 | D787-T791 PolarHBondContact O-N 3.21Å; D787-T791 VanDerWaalsContact O-N 3.09Å; D787-T791 PolarHBondContact O-OG1 2.92Å; R788-T791 PolarHBondContact O-N 2.99Å; L789-T791 VanDerWaalsContact C-N 3.33Å; T791-L793 PolarHBondContact O-N 2.95Å; T791-A794 PolarHBondContact O-N 2.77Å |
| 792 | L | 72.7 | Confident | 79.4 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.8 | -17.7 | -179.9 | -78 | 163.7 | 0 | 0 | 0 | 114.5 | K760 R788 L789 | K760-L792 WeakPolarHBondContact CE-O 3.5Å; K760-L792 PolarHBondContact NZ-O 3.41Å; R788-L792 WeakPolarHBondContact O-CG 3.14Å; R788-L792 PolarHBondContact O-N 3.42Å; R788-L792 VanDerWaalsContact O-N 3.08Å; L789-L792 PolarHBondContact O-N 3.32Å |
| 793 | L | 81.5 | Confident | 79.4 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 12.3 | -178 | -59.1 | 176 | 0 | 0 | 0 | 112.8 | L759 K760 L763 L789 V790 T791 D795 E796 L804 F808 | L759-L793 HydrophobicContact CB-CD2 4.26Å; L759-L793 HydrophobicContact CD1-CD1 4.28Å; K760-L793 HydrophobicContact CG-CD2 3.86Å; L763-L793 HydrophobicContact CD1-CD1 4.48Å; L789-L793 HydrophobicContact CD1-CD1 4.08Å; L789-L793 HydrophobicContact CD1-CG 4.45Å; L789-L793 HydrophobicContact CG-CD1 4.14Å; L789-L793 PolarHBondContact O-N 3.07Å; V790-L793 PolarHBondContact O-N 3.08Å; T791-L793 PolarHBondContact O-N 2.95Å; L793-D795 PolarHBondContact O-N 2.78Å; L793-E796 WeakPolarHBondContact O-CB 3.29Å; L793-E796 PolarHBondContact O-N 2.79Å; L793-L804 HydrophobicContact CB-CD1 4.23Å; L793-L804 HydrophobicContact CD1-CD1 4.07Å; L793-L804 HydrophobicContact CD1-CD2 4.02Å; L793-F808 HydrophobicContact CD1-CZ 4.44Å |
| 794 | A | 77.4 | Confident | 79.9 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V790 T791 I801 | V790-A794 PolarHBondContact O-N 2.83Å; V790-A794 VanDerWaalsContact O-N 3.13Å; T791-A794 PolarHBondContact O-N 2.77Å; A794-I801 WeakPolarHBondContact O-CD1 3.42Å |
| 795 | D | 78.2 | Confident | 80.2 | Confident | 117 Ų | 117 | 65.7 Ų | 65.7 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -2 | 178.3 | 57.6 | -48.9 | 0 | 0 | 0 | 114 | K760 L793 | K760-D795 WeakPolarHBondContact CE-OD1 3.31Å; K760-D795 IonicContact NZ-OD1 3.74Å; K760-D795 PolarHBondContact NZ-OD1 3.27Å; K760-D795 IonicContact NZ-OD2 2.69Å; K760-D795 PolarHBondContact NZ-OD2 2.89Å; L793-D795 PolarHBondContact O-N 2.78Å |
| 796 | E | 86.4 | Confident | 80.7 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 11% | 0.107 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -73 | 165.7 | 176.7 | -77.5 | -67.5 | 168.6 | 0 | 0 | 113.7 | K760 N764 L793 L800 I801 | K760-E796 WeakPolarHBondContact CG-OE1 3.35Å; N764-E796 VanDerWaalsContact ND2-CD 3.3Å; N764-E796 PolarHBondContact ND2-OE1 3.29Å; N764-E796 PolarHBondContact ND2-OE2 3.11Å; L793-E796 WeakPolarHBondContact O-CB 3.29Å; L793-E796 PolarHBondContact O-N 2.79Å; E796-L800 HydrophobicContact CB-CD2 3.74Å; E796-L800 HydrophobicContact CG-CD2 3.85Å; E796-I801 HydrophobicContact CB-CG1 4.12Å; E796-I801 WeakPolarHBondContact O-CD1 3.26Å |
| 797 | K | 84 | Confident | 81.2 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | trans | -61.1 | 137.1 | -176.8 | -66.9 | 162.3 | -174.4 | 151.9 | 0 | 111.2 | N764 A799 L800 I801 | N764-K797 PolarHBondContact OD1-NZ 2.83Å; K797-A799 VanDerWaalsContact C-N 3.31Å; K797-A799 PolarHBondContact O-N 3.37Å; K797-A799 VanDerWaalsContact O-N 3.09Å; K797-L800 HydrophobicContact CB-CB 4.43Å; K797-L800 WeakPolarHBondContact O-CA 3.46Å; K797-L800 VanDerWaalsContact O-CB 3.26Å; K797-L800 WeakPolarHBondContact O-CB 3.42Å; K797-L800 PolarHBondContact O-N 2.97Å; K797-I801 PolarHBondContact O-N 3.37Å | ||
| 798 | P | 81.3 | Confident | 82.1 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 69% | 0.688 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -55.7 | -34.9 | -172.8 | -30.8 | 36.1 | 0 | 0 | 0 | 116.3 | L800 I801 T802 | P798-L800 VanDerWaalsContact C-N 3.31Å; P798-L800 PolarHBondContact O-N 3.1Å; P798-I801 PolarHBondContact O-N 2.89Å; P798-T802 PolarHBondContact O-N 3.15Å; P798-T802 PolarHBondContact O-OG1 2.92Å |
| 799 | A | 81.4 | Confident | 82.9 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 62% | 0.62 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -32.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K797 T802 L803 | K797-A799 VanDerWaalsContact C-N 3.31Å; K797-A799 PolarHBondContact O-N 3.37Å; K797-A799 VanDerWaalsContact O-N 3.09Å; A799-T802 WeakPolarHBondContact O-CB 3.15Å; A799-L803 PolarHBondContact O-N 2.97Å |
| 800 | L | 84.9 | Confident | 83.1 | Confident | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76 | -40.9 | 175.3 | -166 | 106.4 | 0 | 0 | 0 | 111.2 | L763 E796 K797 P798 T802 L803 L804 | L763-L800 HydrophobicContact CB-CD1 4.15Å; L763-L800 HydrophobicContact CB-CD2 3.87Å; L763-L800 HydrophobicContact CD1-CD2 4.13Å; L763-L800 HydrophobicContact CD2-CD1 4.39Å; L763-L800 HydrophobicContact CD2-CD2 4.44Å; L763-L800 HydrophobicContact CG-CD2 4.36Å; E796-L800 HydrophobicContact CB-CD2 3.74Å; E796-L800 HydrophobicContact CG-CD2 3.85Å; K797-L800 HydrophobicContact CB-CB 4.43Å; K797-L800 WeakPolarHBondContact O-CA 3.46Å; K797-L800 VanDerWaalsContact O-CB 3.26Å; K797-L800 WeakPolarHBondContact O-CB 3.42Å; K797-L800 PolarHBondContact O-N 2.97Å; P798-L800 VanDerWaalsContact C-N 3.31Å; P798-L800 PolarHBondContact O-N 3.1Å; L800-T802 PolarHBondContact O-N 2.97Å; L800-L803 PolarHBondContact O-N 2.89Å; L800-L803 VanDerWaalsContact O-N 3.09Å; L800-L804 HydrophobicContact CD2-CD1 3.96Å; L800-L804 WeakPolarHBondContact O-CG 3.49Å; L800-L804 PolarHBondContact O-N 3.39Å |
| 801 | I | 86 | Confident | 83 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 22% | 0.221 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57 | -38.3 | 169.8 | -68.5 | 178.7 | 0 | 0 | 0 | 110.9 | A794 E796 K797 P798 L803 L804 N805 | A794-I801 WeakPolarHBondContact O-CD1 3.42Å; E796-I801 HydrophobicContact CB-CG1 4.12Å; E796-I801 WeakPolarHBondContact O-CD1 3.26Å; K797-I801 PolarHBondContact O-N 3.37Å; P798-I801 PolarHBondContact O-N 2.89Å; I801-L803 PolarHBondContact O-N 3.4Å; I801-L804 PolarHBondContact O-N 2.95Å; I801-N805 WeakPolarHBondContact CG2-ND2 3.44Å; I801-N805 WeakPolarHBondContact O-CB 3.34Å; I801-N805 VanDerWaalsContact O-CG 3.27Å; I801-N805 PolarHBondContact O-N 3.45Å; I801-N805 PolarHBondContact O-ND2 3.29Å |
| 802 | T | 87.8 | Confident | 82.5 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | P798 A799 L800 A806 | P798-T802 PolarHBondContact O-N 3.15Å; P798-T802 PolarHBondContact O-OG1 2.92Å; A799-T802 WeakPolarHBondContact O-CB 3.15Å; L800-T802 PolarHBondContact O-N 2.97Å; T802-A806 WeakPolarHBondContact O-CB 3.49Å; T802-A806 PolarHBondContact O-N 2.99Å |
| 803 | L | 87.5 | Confident | 82 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.1 | -43.2 | 174.9 | -69.6 | 170.5 | 0 | 0 | 0 | 112.3 | L775 A799 L800 I801 A806 E807 | L775-L803 HydrophobicContact CD1-CB 4.44Å; L775-L803 HydrophobicContact CD2-CB 4.08Å; A799-L803 PolarHBondContact O-N 2.97Å; L800-L803 PolarHBondContact O-N 2.89Å; L800-L803 VanDerWaalsContact O-N 3.09Å; I801-L803 PolarHBondContact O-N 3.4Å; L803-A806 PolarHBondContact O-N 2.95Å; L803-E807 PolarHBondContact O-N 3.34Å |
| 804 | L | 90.5 | Very high | 81.3 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 174.7 | -76.3 | 163.6 | 0 | 0 | 0 | 110.9 | L763 L775 A778 L793 L800 I801 A806 E807 F808 | L763-L804 HydrophobicContact CD1-CD1 4.28Å; L763-L804 HydrophobicContact CD1-CD2 4.04Å; L763-L804 HydrophobicContact CD2-CD2 4.45Å; L775-L804 HydrophobicContact CD1-CD2 3.8Å; L775-L804 HydrophobicContact CD1-CG 4.12Å; A778-L804 HydrophobicContact CB-CD2 3.76Å; L793-L804 HydrophobicContact CB-CD1 4.23Å; L793-L804 HydrophobicContact CD1-CD1 4.07Å; L793-L804 HydrophobicContact CD1-CD2 4.02Å; L800-L804 HydrophobicContact CD2-CD1 3.96Å; L800-L804 WeakPolarHBondContact O-CG 3.49Å; L800-L804 PolarHBondContact O-N 3.39Å; I801-L804 PolarHBondContact O-N 2.95Å; L804-A806 VanDerWaalsContact C-N 3.28Å; L804-A806 PolarHBondContact O-N 3.43Å; L804-E807 PolarHBondContact O-N 3.46Å; L804-F808 HydrophobicContact CB-CD2 4.45Å; L804-F808 HydrophobicContact CB-CE2 3.87Å; L804-F808 HydrophobicContact CB-CZ 4.02Å; L804-F808 HydrophobicContact CD2-CE1 4.28Å; L804-F808 HydrophobicContact CD2-CZ 3.85Å; L804-F808 HydrophobicContact CG-CZ 4.49Å; L804-F808 WeakPolarHBondContact O-CD1 3.33Å; L804-F808 WeakPolarHBondContact O-CD2 3.48Å; L804-F808 WeakPolarHBondContact O-CG 3.32Å; L804-F808 PolarHBondContact O-N 2.85Å |
| 805 | N | 86.4 | Confident | 80.6 | Confident | 75 Ų | 75 | 80.9 Ų | 80.9 | 40% | 0.401 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 177.1 | -73.2 | -23.3 | 0 | 0 | 0 | 112.6 | I801 E807 A809 | I801-N805 WeakPolarHBondContact CG2-ND2 3.44Å; I801-N805 WeakPolarHBondContact O-CB 3.34Å; I801-N805 VanDerWaalsContact O-CG 3.27Å; I801-N805 PolarHBondContact O-N 3.45Å; I801-N805 PolarHBondContact O-ND2 3.29Å; N805-E807 VanDerWaalsContact C-N 3.34Å; N805-A809 WeakPolarHBondContact O-CB 3.49Å; N805-A809 PolarHBondContact O-N 3.41Å |
| 806 | A | 88.2 | Confident | 80.2 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.7 | -28.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T802 L803 L804 K810 | T802-A806 WeakPolarHBondContact O-CB 3.49Å; T802-A806 PolarHBondContact O-N 2.99Å; L803-A806 PolarHBondContact O-N 2.95Å; L804-A806 VanDerWaalsContact C-N 3.28Å; L804-A806 PolarHBondContact O-N 3.43Å; A806-K810 WeakPolarHBondContact O-CG 3.4Å |
| 807 | E | 86.7 | Confident | 79.5 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -77.9 | -46.2 | 173 | -150.4 | 63.5 | -132.8 | 0 | 0 | 111.3 | L775 L803 L804 N805 A809 K810 | L775-E807 HydrophobicContact CD1-CB 4Å; L775-E807 HydrophobicContact CD1-CG 4.48Å; L775-E807 HydrophobicContact CG-CB 4.34Å; L775-E807 HydrophobicContact CG-CG 4.34Å; L803-E807 PolarHBondContact O-N 3.34Å; L804-E807 PolarHBondContact O-N 3.46Å; N805-E807 VanDerWaalsContact C-N 3.34Å; E807-A809 VanDerWaalsContact C-N 3.29Å; E807-A809 PolarHBondContact O-N 3Å; E807-K810 WeakPolarHBondContact O-CB 3.47Å; E807-K810 PolarHBondContact O-N 3.1Å; E807-K810 WeakPolarHBondContact OE1-CD 3.18Å; E807-K810 IonicContact OE1-NZ 3.39Å; E807-K810 PolarHBondContact OE1-NZ 3.33Å; E807-K810 IonicContact OE2-NZ 3.88Å; E807-K810 PolarHBondContact OE2-NZ 2.91Å |
| 808 | F | 88.4 | Confident | 78.4 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 2% | 0.022 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 174.9 | -58.6 | -22.4 | 0 | 0 | 0 | 111.8 | A778 H782 L789 V790 L793 L804 K810 N811 K812 | A778-F808 HydrophobicContact CB-CE1 4.15Å; H782-F808 HydrophobicContact CB-CD1 3.62Å; H782-F808 HydrophobicContact CB-CE1 3.91Å; H782-F808 HydrophobicContact CB-CG 4.38Å; H782-F808 AromaticContact CD2-CD1 3.39Å; H782-F808 WeakPolarHBondContact CD2-CD1 3.45Å; H782-F808 AromaticContact CD2-CD2 3.72Å; H782-F808 AromaticContact CD2-CE1 3.96Å; H782-F808 AromaticContact CD2-CG 3.26Å; H782-F808 WeakPolarHBondContact CD2-CG 3.1Å; H782-F808 AromaticContact CG-CD1 3.68Å; H782-F808 AromaticContact CG-CG 3.94Å; H782-F808 AromaticContact NE2-CG 3.89Å; L789-F808 HydrophobicContact CD2-CE1 3.82Å; L789-F808 HydrophobicContact CD2-CZ 3.91Å; L789-F808 HydrophobicContact CG-CZ 4.19Å; V790-F808 HydrophobicContact CG2-CD2 3.88Å; V790-F808 HydrophobicContact CG2-CE2 3.85Å; L793-F808 HydrophobicContact CD1-CZ 4.44Å; L804-F808 HydrophobicContact CB-CD2 4.45Å; L804-F808 HydrophobicContact CB-CE2 3.87Å; L804-F808 HydrophobicContact CB-CZ 4.02Å; L804-F808 HydrophobicContact CD2-CE1 4.28Å; L804-F808 HydrophobicContact CD2-CZ 3.85Å; L804-F808 HydrophobicContact CG-CZ 4.49Å; L804-F808 WeakPolarHBondContact O-CD1 3.33Å; L804-F808 WeakPolarHBondContact O-CD2 3.48Å; L804-F808 WeakPolarHBondContact O-CG 3.32Å; L804-F808 PolarHBondContact O-N 2.85Å; F808-K810 PolarHBondContact O-N 3.34Å; F808-N811 PolarHBondContact O-N 3.33Å; F808-K812 PolarHBondContact O-N 3.28Å; F808-K812 VanDerWaalsContact O-N 3.15Å |
| 809 | A | 83.1 | Confident | 77.9 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N805 E807 N811 | N805-A809 WeakPolarHBondContact O-CB 3.49Å; N805-A809 PolarHBondContact O-N 3.41Å; E807-A809 VanDerWaalsContact C-N 3.29Å; E807-A809 PolarHBondContact O-N 3Å; A809-N811 PolarHBondContact O-N 2.9Å |
| 810 | K | 80.8 | Confident | 77.6 | Confident | 117 Ų | 117 | 76.4 Ų | 76.4 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.5 | 172.7 | -62.3 | 161.3 | -176.5 | 171.2 | 0 | 112.9 | A806 E807 F808 K814 | A806-K810 WeakPolarHBondContact O-CG 3.4Å; E807-K810 WeakPolarHBondContact O-CB 3.47Å; E807-K810 PolarHBondContact O-N 3.1Å; E807-K810 WeakPolarHBondContact OE1-CD 3.18Å; E807-K810 IonicContact OE1-NZ 3.39Å; E807-K810 PolarHBondContact OE1-NZ 3.33Å; E807-K810 IonicContact OE2-NZ 3.88Å; E807-K810 PolarHBondContact OE2-NZ 2.91Å; F808-K810 PolarHBondContact O-N 3.34Å; K810-K814 WeakPolarHBondContact O-CE 3.07Å; K810-K814 PolarHBondContact O-NZ 3.46Å |
| 811 | N | 74.4 | Confident | 77.1 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 10% | 0.102 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -10.4 | -168.8 | -76.2 | -2.6 | 0 | 0 | 0 | 114.1 | G779 L783 F808 A809 D813 K814 | G779-N811 PolarHBondContact O-ND2 3.48Å; L783-N811 HydrophobicContact CD2-CB 3.74Å; L783-N811 HydrophobicContact CG-CB 4.39Å; F808-N811 PolarHBondContact O-N 3.33Å; A809-N811 PolarHBondContact O-N 2.9Å; N811-D813 PolarHBondContact O-N 3.06Å; N811-D813 VanDerWaalsContact O-N 3.13Å; N811-K814 PolarHBondContact O-N 3.05Å; N811-K814 PolarHBondContact OD1-NZ 3.21Å |
| 812 | K | 65.2 | Low | 76.5 | Confident | 144 Ų | 144 | 80.7 Ų | 80.7 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -37.5 | -180 | -77.9 | -161.8 | 169.8 | -158.3 | 0 | 115.1 | F808 | F808-K812 PolarHBondContact O-N 3.28Å; F808-K812 VanDerWaalsContact O-N 3.15Å |
| 813 | D | 62 | Low | 75.7 | Confident | 161 Ų | 161 | 76.8 Ų | 76.8 | 86% | 0.861 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7.4 | -176.2 | -47.9 | -49.4 | 0 | 0 | 0 | 113.5 | N811 | N811-D813 PolarHBondContact O-N 3.06Å; N811-D813 VanDerWaalsContact O-N 3.13Å |
| 814 | K | 67.1 | Low | 74.3 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | trans | -104.7 | 122.2 | -177.6 | -62.6 | 178 | -168.7 | 156.1 | 0 | 110.4 | L783 K810 N811 | L783-K814 HydrophobicContact CD2-CB 3.84Å; L783-K814 WeakPolarHBondContact CD2-O 3.22Å; K810-K814 WeakPolarHBondContact O-CE 3.07Å; K810-K814 PolarHBondContact O-NZ 3.46Å; N811-K814 PolarHBondContact O-N 3.05Å; N811-K814 PolarHBondContact OD1-NZ 3.21Å | ||
| 815 | K | 61.7 | Low | 72.6 | Confident | 205 Ų | 205 | 75.2 Ų | 75.2 | 89% | 0.891 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 142.6 | 162.4 | -67.9 | -167 | 173.6 | -166.9 | 0 | 109.6 | ||
| 816 | A | 70.6 | Confident | 71 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 140.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L783 Y784 | L783-A816 HydrophobicContact CB-CB 4.17Å; Y784-A816 HydrophobicContact CD1-CB 3.92Å; Y784-A816 HydrophobicContact CE1-CB 3.55Å; Y784-A816 HydrophobicContact CE2-CB 4.38Å; Y784-A816 HydrophobicContact CG-CB 4.49Å |
| 817 | P | 71.1 | Confident | 69.2 | Low | 54 Ų | 54 | 76.6 Ų | 76.6 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 143.9 | 175 | 28.5 | -33.8 | 0 | 0 | 0 | 110.6 | L744 | L744-P817 HydrophobicContact CB-CG 4.47Å; L744-P817 HydrophobicContact CD2-CG 3.71Å |
| 818 | A | 60.6 | Low | 67.2 | Low | 80 Ų | 80 | 80.5 Ų | 80.5 | 66% | 0.661 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 142.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I820 | A818-I820 PolarHBondContact O-N 3.1Š|
| 819 | P | 72.4 | Confident | 64.8 | Low | 55 Ų | 55 | 86.2 Ų | 86.2 | 36% | 0.357 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 135.1 | 174.6 | -27.9 | 36.1 | 0 | 0 | 0 | 112.7 | F746 F822 | F746-P819 WeakPolarHBondContact O-CB 3.49Å; F746-P819 WeakPolarHBondContact O-CG 3.31Å; P819-F822 HydrophobicContact CB-CD1 4.49Å; P819-F822 HydrophobicContact CB-CE1 3.76Å; P819-F822 HydrophobicContact CB-CZ 3.9Å; P819-F822 WeakPolarHBondContact O-CZ 3.35Å |
| 820 | I | 74 | Confident | 62.6 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 68% | 0.677 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -107.8 | -22.8 | 178 | -23 | 176.7 | 0 | 0 | 0 | 110.9 | E745 A818 | E745-I820 PolarHBondContact O-N 2.75Å; A818-I820 PolarHBondContact O-N 3.1Å |
| 821 | R | 75.1 | Confident | 60.4 | Low | 86 Ų | 86 | 90.3 Ų | 90.3 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | trans | -116.2 | 153.5 | 171.9 | -60.9 | -173.3 | -161.5 | -102.7 | 0.4 | 110.5 | E708 E745 F746 | E708-R821 WeakPolarHBondContact OE1-CD 3.45Å; E708-R821 IonicContact OE1-CZ 3.12Å; E708-R821 IonicContact OE1-NE 3.93Å; E708-R821 IonicContact OE1-NH1 3.68Å; E708-R821 PolarHBondContact OE1-NH1 2.88Å; E745-R821 HydrophobicContact CB-CG 4.34Å; E745-R821 PolarHBondContact O-N 2.98Å; E745-R821 IonicContact OE2-CZ 2.67Å; E745-R821 IonicContact OE2-NE 3.71Å; E745-R821 PolarHBondContact OE2-NE 2.99Å; E745-R821 IonicContact OE2-NH2 3.3Å; E745-R821 PolarHBondContact OE2-NH2 3Å; F746-R821 HydrophobicContact CD1-CB 3.63Å; F746-R821 HydrophobicContact CD2-CB 4.22Å; F746-R821 HydrophobicContact CE1-CB 3.63Å; F746-R821 HydrophobicContact CE2-CB 4.23Å; F746-R821 HydrophobicContact CG-CB 3.95Å; F746-R821 HydrophobicContact CZ-CB 3.96Å | ||
| 822 | F | 73.5 | Confident | 58.3 | Low | 73 Ų | 73 | 93.6 Ų | 93.6 | 32% | 0.32 | 50% | 0.496 | S | S | . | . | trans | -141.8 | 154.1 | -176 | -60.3 | -82.1 | 0 | 0 | 0 | 109.5 | P819 Q826 | P819-F822 HydrophobicContact CB-CD1 4.49Å; P819-F822 HydrophobicContact CB-CE1 3.76Å; P819-F822 HydrophobicContact CB-CZ 3.9Å; P819-F822 WeakPolarHBondContact O-CZ 3.35Å; F822-Q826 HydrophobicContact CB-CB 3.95Å; F822-Q826 HydrophobicContact CD1-CB 4.48Å | ||
| 823 | S | 69.6 | Low | 56.8 | Low | 15 Ų | 15 | 92.6 Ų | 92.6 | 11% | 0.105 | 50% | 0.501 | C | S | . | . | trans | -73 | 159.9 | 173.3 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | E708 T710 A825 Q826 N827 | E708-S823 CarbonylContact O-C 3.51Å; E708-S823 WeakPolarHBondContact O-CA 3.42Å; T710-S823 WeakPolarHBondContact O-CB 3.14Å; S823-A825 PolarHBondContact O-N 3.13Å; S823-Q826 WeakPolarHBondContact O-CA 2.96Å; S823-Q826 WeakPolarHBondContact O-CB 3.22Å; S823-Q826 PolarHBondContact O-N 2.92Å; S823-Q826 WeakPolarHBondContact OG-CG 3.15Å; S823-Q826 PolarHBondContact OG-N 3.29Å; S823-Q826 PolarHBondContact OG-OE1 3.41Å; S823-N827 PolarHBondContact O-N 3.34Å; S823-N827 PolarHBondContact O-ND2 2.94Å | ||
| 824 | A | 59.5 | Low | 55.1 | Low | 19 Ų | 19 | 89.4 Ų | 89.4 | 16% | 0.157 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -51.7 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | E708 Q826 N827 L828 | E708-A824 PolarHBondContact O-N 3.06Å; A824-Q826 PolarHBondContact O-N 3.39Å; A824-N827 PolarHBondContact O-N 3.46Å; A824-L828 WeakPolarHBondContact O-CG 3.02Å; A824-L828 PolarHBondContact O-N 2.67Å; A824-L828 VanDerWaalsContact O-N 3.14Å |
| 825 | A | 54.9 | Low | 53.1 | Low | 47 Ų | 47 | 90 Ų | 90 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -32.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S823 | S823-A825 PolarHBondContact O-N 3.13Å |
| 826 | Q | 51.7 | Low | 51.5 | Low | 87 Ų | 87 | 89.7 Ų | 89.7 | 41% | 0.407 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.7 | -34.5 | 175.4 | -73.1 | 169.9 | -31.6 | 0 | 0 | 112.3 | F822 S823 A824 L829 | F822-Q826 HydrophobicContact CB-CB 3.95Å; F822-Q826 HydrophobicContact CD1-CB 4.48Å; S823-Q826 WeakPolarHBondContact O-CA 2.96Å; S823-Q826 WeakPolarHBondContact O-CB 3.22Å; S823-Q826 PolarHBondContact O-N 2.92Å; S823-Q826 WeakPolarHBondContact OG-CG 3.15Å; S823-Q826 PolarHBondContact OG-N 3.29Å; S823-Q826 PolarHBondContact OG-OE1 3.41Å; A824-Q826 PolarHBondContact O-N 3.39Å; Q826-L829 PolarHBondContact O-N 2.91Å |
| 827 | N | 51.9 | Low | 49.8 | Very low | 68 Ų | 68 | 93 Ų | 93 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 176.7 | -68.7 | -42.6 | 0 | 0 | 0 | 112.1 | S823 A824 L829 K830 D831 | S823-N827 PolarHBondContact O-N 3.34Å; S823-N827 PolarHBondContact O-ND2 2.94Å; A824-N827 PolarHBondContact O-N 3.46Å; N827-L829 PolarHBondContact O-N 3.04Å; N827-K830 VanDerWaalsContact O-CB 3.3Å; N827-K830 WeakPolarHBondContact O-CB 3.4Å; N827-K830 PolarHBondContact O-N 2.67Å; N827-D831 PolarHBondContact O-N 3.43Å |
| 828 | L | 44 | Very low | 47.6 | Very low | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.6 | -27.5 | 176.5 | -72.2 | 166.8 | 0 | 0 | 0 | 113.7 | A824 K830 S832 | A824-L828 WeakPolarHBondContact O-CG 3.02Å; A824-L828 PolarHBondContact O-N 2.67Å; A824-L828 VanDerWaalsContact O-N 3.14Å; L828-K830 PolarHBondContact O-N 2.95Å; L828-S832 PolarHBondContact O-OG 2.89Å |
| 829 | L | 38.2 | Very low | 46.1 | Very low | 125 Ų | 125 | 96.4 Ų | 96.4 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74.5 | -7.1 | 173.4 | -79.2 | 163.5 | 0 | 0 | 0 | 113.8 | Q826 N827 | Q826-L829 PolarHBondContact O-N 2.91Å; N827-L829 PolarHBondContact O-N 3.04Å |
| 830 | K | 36.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 101.2 Ų | 101.2 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -102.8 | -42.3 | -178.7 | -153.3 | 175.1 | -172.7 | 177.8 | 0 | 112.1 | N827 L828 S832 V833 | N827-K830 VanDerWaalsContact O-CB 3.3Å; N827-K830 WeakPolarHBondContact O-CB 3.4Å; N827-K830 PolarHBondContact O-N 2.67Å; L828-K830 PolarHBondContact O-N 2.95Å; K830-S832 VanDerWaalsContact C-N 3.28Å; K830-S832 PolarHBondContact O-N 2.93Å; K830-V833 PolarHBondContact O-N 3.27Å |
| 831 | D | 34.1 | Very low | 41.6 | Very low | 117 Ų | 117 | 98.5 Ų | 98.5 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.3 | -31.9 | 177.5 | -64.7 | -26.1 | 0 | 0 | 0 | 111.9 | N827 V833 S834 | N827-D831 PolarHBondContact O-N 3.43Å; D831-V833 PolarHBondContact O-N 2.99Å; D831-S834 PolarHBondContact O-N 3.15Å; D831-S834 VanDerWaalsContact O-N 3.09Å |
| 832 | S | 31.9 | Very low | 39.2 | Very low | 89 Ų | 89 | 101.2 Ų | 101.2 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 0.9 | 178.6 | 43.7 | 0 | 0 | 0 | 0 | 115.4 | L828 K830 | L828-S832 PolarHBondContact O-OG 2.89Å; K830-S832 VanDerWaalsContact C-N 3.28Å; K830-S832 PolarHBondContact O-N 2.93Å |
| 833 | V | 32.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 105.8 Ų | 105.8 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -1 | 174.9 | -171.1 | 0 | 0 | 0 | 0 | 112 | K830 D831 | K830-V833 PolarHBondContact O-N 3.27Å; D831-V833 PolarHBondContact O-N 2.99Å |
| 834 | S | 27.2 | Very low | 34.7 | Very low | 94 Ų | 94 | 110.9 Ų | 110.9 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | trans | -113.2 | 40.5 | -164.2 | -58.8 | 0 | 0 | 0 | 0 | 115.9 | D831 | D831-S834 PolarHBondContact O-N 3.15Å; D831-S834 VanDerWaalsContact O-N 3.09Å | ||
| 835 | T | 23.5 | Very low | 33 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 80% | 0.798 | 70% | 0.701 | S | S | * | * | trans | -148.5 | 101.6 | 169.4 | 24.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 836 | E | 28.1 | Very low | 31.5 | Very low | 198 Ų | 198 | 118.6 Ų | 118.6 | 93% | 0.925 | 73% | 0.726 | S | S | * | * | trans | -151.3 | 154.2 | 132.1 | -85.9 | -133.7 | 134.7 | 0 | 0 | 109 | ||||
| 837 | P | 36.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -117.9 | 162.6 | -156.7 | 40.2 | -28.9 | 0 | 0 | 0 | 116.5 | ||||
| 838 | S | 24.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | 60.7 | 76.8 | 151 | -59.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 839 | G | 28 | Very low | 27.8 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -126 | 112.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G841 | G839-G841 PolarHBondContact O-N 3.47Š| ||
| 840 | T | 25.5 | Very low | 27.1 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 96% | 0.957 | 78% | 0.781 | S | S | * | * | trans | -75.7 | 120 | -178.6 | 49 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 841 | G | 26.5 | Very low | 26.6 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -172.7 | 90.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G839 L843 | G839-G841 PolarHBondContact O-N 3.47Å; G841-L843 PolarHBondContact O-N 2.84Å | ||
| 842 | T | 26.1 | Very low | 26.1 | Very low | 143 Ų | 143 | 127 Ų | 127 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -67.4 | 124.7 | 170.3 | 45.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 843 | L | 24.2 | Very low | 25.8 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -165.8 | 136.6 | 130.6 | -104.7 | 169.7 | 0 | 0 | 0 | 110 | G841 | G841-L843 PolarHBondContact O-N 2.84Š| ||
| 844 | S | 24.5 | Very low | 25.6 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -83.7 | 122.1 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 845 | G | 22.7 | Very low | 25.9 | Very low | 58 Ų | 58 | 137.8 Ų | 137.8 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | trans | -161.9 | 130.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I847 | G845-I847 PolarHBondContact O-N 3.11Š| ||
| 846 | D | 23.6 | Very low | 26.6 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -67 | 124.7 | -170.8 | -53.9 | -82.2 | 0 | 0 | 0 | 111.8 | ||||
| 847 | I | 23.4 | Very low | 27.5 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -108.4 | 105.4 | 172.7 | -63.8 | 179.5 | 0 | 0 | 0 | 108.3 | G845 T849 | G845-I847 PolarHBondContact O-N 3.11Å; I847-T849 PolarHBondContact O-N 3.31Å; I847-T849 PolarHBondContact O-OG1 2.95Å | ||
| 848 | E | 22.4 | Very low | 28 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -65.7 | 98.4 | 173.5 | -64.3 | -176 | 127.2 | 0 | 0 | 109.8 | T850 | E848-T850 VanDerWaalsContact C-N 3.29Å; E848-T850 PolarHBondContact O-N 2.99Å | ||
| 849 | T | 25.2 | Very low | 29.1 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -77.5 | 81.7 | 179.1 | -44.3 | 0 | 0 | 0 | 0 | 109.5 | I847 G851 | I847-T849 PolarHBondContact O-N 3.31Å; I847-T849 PolarHBondContact O-OG1 2.95Å; T849-G851 PolarHBondContact O-N 3.48Å | ||
| 850 | T | 23.4 | Very low | 30 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | -72.7 | 62.4 | 177.8 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | E848 Q852 | E848-T850 VanDerWaalsContact C-N 3.29Å; E848-T850 PolarHBondContact O-N 2.99Å; T850-Q852 PolarHBondContact O-N 2.99Å | ||
| 851 | G | 24.5 | Very low | 31 | Very low | 60 Ų | 60 | 118.8 Ų | 118.8 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | trans | -70.4 | 105.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T849 I853 | T849-G851 PolarHBondContact O-N 3.48Å; G851-I853 PolarHBondContact O-N 3.29Å | ||
| 852 | Q | 24.1 | Very low | 32.1 | Very low | 188 Ų | 188 | 117.3 Ų | 117.3 | 88% | 0.879 | 66% | 0.663 | S | S | * | * | trans | -66.1 | 106.9 | 174 | -71 | 178 | -25.7 | 0 | 0 | 109 | T850 E854 | T850-Q852 PolarHBondContact O-N 2.99Å; Q852-E854 PolarHBondContact O-N 3.28Å | ||
| 853 | I | 25 | Very low | 33 | Very low | 160 Ų | 160 | 114.2 Ų | 114.2 | 82% | 0.821 | 65% | 0.645 | S | S | * | * | trans | -69 | 114.5 | 165.1 | -59.3 | 174.3 | 0 | 0 | 0 | 106 | G851 E855 | G851-I853 PolarHBondContact O-N 3.29Å; I853-E855 PolarHBondContact O-N 3.22Å | ||
| 854 | E | 28.6 | Very low | 34.6 | Very low | 182 Ų | 182 | 109.8 Ų | 109.8 | 85% | 0.85 | 62% | 0.619 | S | S | * | * | trans | -58 | 132 | 179.6 | -63.6 | -178.4 | 132.8 | 0 | 0 | 110.1 | Q852 M856 | Q852-E854 PolarHBondContact O-N 3.28Å; E854-M856 PolarHBondContact O-N 2.91Å; E854-M856 VanDerWaalsContact O-N 3.12Å | ||
| 855 | E | 35.1 | Very low | 36.5 | Very low | 190 Ų | 190 | 107.5 Ų | 107.5 | 89% | 0.888 | 60% | 0.6 | S | S | * | * | trans | -64.5 | 114.8 | 174.3 | -70.7 | -169.9 | 142.1 | 0 | 0 | 109.2 | I853 D857 | I853-E855 PolarHBondContact O-N 3.22Å; E855-D857 PolarHBondContact O-N 3.47Å | ||
| 856 | M | 37.4 | Very low | 38.8 | Very low | 149 Ų | 149 | 107.8 Ų | 107.8 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | trans | -64.4 | 109.2 | -177.5 | -174.7 | 141.4 | 57.9 | 0 | 0 | 110.2 | E854 S858 | E854-M856 PolarHBondContact O-N 2.91Å; E854-M856 VanDerWaalsContact O-N 3.12Å; M856-S858 PolarHBondContact O-N 3.2Å | ||
| 857 | D | 46.3 | Very low | 41.4 | Very low | 42 Ų | 42 | 99.8 Ų | 99.8 | 23% | 0.225 | 54% | 0.544 | C | S | . | . | trans | -63.6 | 109.7 | -166.9 | -165.2 | 30.2 | 0 | 0 | 0 | 111.9 | E855 D859 A860 K946 | E855-D857 PolarHBondContact O-N 3.47Å; D857-D859 PolarHBondContact O-N 3.24Å; D857-D859 VanDerWaalsContact O-N 3.1Å; D857-A860 WeakPolarHBondContact O-CB 3.41Å; D857-A860 PolarHBondContact O-N 2.63Å; D857-K946 WeakPolarHBondContact OD1-CE 3.22Å; D857-K946 IonicContact OD1-NZ 2.92Å; D857-K946 PolarHBondContact OD1-NZ 3.49Å | ||
| 858 | S | 48.2 | Very low | 43.7 | Very low | 53 Ų | 53 | 93.1 Ų | 93.1 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -58.9 | -27.2 | -173 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | M856 A860 | M856-S858 PolarHBondContact O-N 3.2Å; S858-A860 PolarHBondContact O-N 2.81Å |
| 859 | D | 47.3 | Very low | 46.3 | Very low | 7 Ų | 7 | 91 Ų | 91 | 4% | 0.037 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -74.9 | -12.2 | -178.8 | -72.9 | 0.4 | 0 | 0 | 0 | 112.7 | D857 L903 R985 | D857-D859 PolarHBondContact O-N 3.24Å; D857-D859 VanDerWaalsContact O-N 3.1Å; D859-L903 HydrophobicContact CB-CD2 4.16Å; D859-R985 IonicContact OD2-CZ 3.74Å; D859-R985 VanDerWaalsContact OD2-CZ 3.23Å; D859-R985 IonicContact OD2-NH1 2.61Å; D859-R985 PolarHBondContact OD2-NH1 3.06Å; D859-R985 IonicContact OD2-NH2 2.75Å; D859-R985 PolarHBondContact OD2-NH2 2.87Å |
| 860 | A | 47.2 | Very low | 49 | Very low | 75 Ų | 75 | 91.7 Ų | 91.7 | 62% | 0.62 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -80 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D857 S858 | D857-A860 WeakPolarHBondContact O-CB 3.41Å; D857-A860 PolarHBondContact O-N 2.63Å; S858-A860 PolarHBondContact O-N 2.81Å |
| 861 | L | 46 | Very low | 51.9 | Low | 71 Ų | 71 | 86.4 Ų | 86.4 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -89.8 | 4 | -173.4 | -66.1 | 173.7 | 0 | 0 | 0 | 114.4 | F748 A752 | F748-L861 HydrophobicContact CD1-CD1 4.16Å; F748-L861 HydrophobicContact CE1-CD1 4.11Å; A752-L861 HydrophobicContact CB-CB 4.15Å |
| 862 | L | 48.3 | Very low | 54.7 | Low | 45 Ų | 45 | 86.4 Ų | 86.4 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -125.3 | 149.9 | -170.9 | -70.9 | 174.2 | 0 | 0 | 0 | 111.6 | A752 K864 L903 | A752-L862 HydrophobicContact CB-CD2 3.92Å; L862-K864 PolarHBondContact O-N 3.29Å; L862-L903 HydrophobicContact CB-CD1 3.31Å; L862-L903 HydrophobicContact CD1-CD1 3.93Å; L862-L903 HydrophobicContact CG-CD1 4.27Å |
| 863 | P | 45 | Very low | 57.4 | Low | 77 Ų | 77 | 83 Ų | 83 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | trans | -72.5 | 122.1 | -172.4 | 28.5 | -32.1 | 0 | 0 | 0 | 111 | Q753 | Q753-P863 HydrophobicContact CG-CG 4.35Š| ||
| 864 | K | 58.7 | Low | 60.3 | Low | 77 Ų | 77 | 82.7 Ų | 82.7 | 34% | 0.335 | 44% | 0.437 | S | S | . | . | trans | -77.9 | 148 | 174.5 | -52.5 | -173.4 | -172.7 | -174.7 | 0 | 111 | L862 D905 P945 D948 | L862-K864 PolarHBondContact O-N 3.29Å; K864-D905 HydrophobicContact CB-CB 3.75Å; K864-D905 HydrophobicContact CD-CB 4.22Å; K864-P945 HydrophobicContact CD-CG 3.95Å; K864-P945 HydrophobicContact CG-CG 4.48Å; K864-D948 IonicContact NZ-OD1 3.85Å; K864-D948 PolarHBondContact NZ-OD1 2.87Å; K864-D948 IonicContact NZ-OD2 2.64Å; K864-D948 PolarHBondContact NZ-OD2 3.5Å | ||
| 865 | V | 64.5 | Low | 63.1 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -111.1 | 116.4 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | I867 L903 I904 D905 | V865-I867 HydrophobicContact CG1-CG2 3.94Å; V865-I867 PolarHBondContact O-N 2.93Å; V865-L903 PolarHBondContact N-O 3.08Å; V865-I904 WeakPolarHBondContact O-CA 3.38Å; V865-D905 PolarHBondContact O-N 3.08Å |
| 866 | D | 70.5 | Confident | 65.6 | Low | 63 Ų | 63 | 66.3 Ų | 66.3 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 115.4 | 168.2 | -171.4 | 0.9 | 0 | 0 | 0 | 109.2 | S868 D905 N908 K910 | D866-S868 WeakPolarHBondContact OD1-CB 3.3Å; D866-S868 PolarHBondContact OD1-N 3.26Å; D866-S868 PolarHBondContact OD1-OG 3.38Å; D866-S868 PolarHBondContact OD2-OG 3.02Å; D866-S868 VanDerWaalsContact OD2-OG 3.07Å; D866-D905 HydrophobicContact CB-CB 4.3Å; D866-N908 VanDerWaalsContact CG-ND2 3.3Å; D866-N908 PolarHBondContact OD1-ND2 3.4Å; D866-N908 PolarHBondContact OD2-ND2 3.17Å; D866-K910 IonicContact OD2-NZ 2.82Å; D866-K910 PolarHBondContact OD2-NZ 2.92Å | ||
| 867 | I | 78.2 | Confident | 67.9 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | trans | -105 | 0.6 | 175.6 | 62.7 | 167.3 | 0 | 0 | 0 | 112.9 | V865 D869 R870 F871 V898 I904 L911 F940 | V865-I867 HydrophobicContact CG1-CG2 3.94Å; V865-I867 PolarHBondContact O-N 2.93Å; I867-D869 VanDerWaalsContact C-N 3.32Å; I867-D869 PolarHBondContact O-N 2.62Å; I867-R870 VanDerWaalsContact O-CB 3.31Å; I867-R870 WeakPolarHBondContact O-CB 3.31Å; I867-R870 PolarHBondContact O-N 3.46Å; I867-F871 HydrophobicContact CB-CE2 4.5Å; I867-F871 HydrophobicContact CD1-CE2 3.82Å; I867-F871 HydrophobicContact CD1-CZ 4.26Å; I867-F871 HydrophobicContact CG1-CE2 3.96Å; I867-F871 WeakPolarHBondContact O-CD2 3.46Å; I867-V898 HydrophobicContact CD1-CG2 4.46Å; I867-I904 HydrophobicContact CD1-CD1 3.62Å; I867-I904 HydrophobicContact CD1-CG1 3.93Å; I867-I904 HydrophobicContact CD1-CG2 4.23Å; I867-I904 HydrophobicContact CG1-CD1 4.47Å; I867-I904 HydrophobicContact CG1-CG1 4.33Å; I867-I904 HydrophobicContact CG1-CG2 3.95Å; I867-L911 HydrophobicContact CG1-CD2 4.43Å; I867-F940 HydrophobicContact CD1-CE1 4.24Å; I867-F940 HydrophobicContact CD1-CZ 4.43Å | ||
| 868 | S | 73.1 | Confident | 69.8 | Low | 11 Ų | 11 | 61.3 Ų | 61.3 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -57.5 | -40.4 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | D866 R870 F871 K910 | D866-S868 WeakPolarHBondContact OD1-CB 3.3Å; D866-S868 PolarHBondContact OD1-N 3.26Å; D866-S868 PolarHBondContact OD1-OG 3.38Å; D866-S868 PolarHBondContact OD2-OG 3.02Å; D866-S868 VanDerWaalsContact OD2-OG 3.07Å; S868-R870 PolarHBondContact O-N 2.93Å; S868-R870 VanDerWaalsContact O-N 3.08Å; S868-F871 WeakPolarHBondContact O-CB 3.27Å; S868-F871 PolarHBondContact O-N 3.44Å; S868-K910 WeakPolarHBondContact OG-CD 3.39Å; S868-K910 PolarHBondContact OG-NZ 3.2Å |
| 869 | D | 75.7 | Confident | 71.7 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 70% | 0.695 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -67.5 | -9.6 | -179.9 | -60.9 | -9.7 | 0 | 0 | 0 | 112.8 | I867 K910 | I867-D869 VanDerWaalsContact C-N 3.32Å; I867-D869 PolarHBondContact O-N 2.62Å; D869-K910 IonicContact OD1-NZ 3.18Å; D869-K910 PolarHBondContact OD1-NZ 3.34Å |
| 870 | R | 81.5 | Confident | 73.6 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -83.3 | -15.4 | 170.7 | -56.7 | -176.8 | 178.8 | -107.6 | 0.2 | 113.3 | I867 S868 T872 F897 | I867-R870 VanDerWaalsContact O-CB 3.31Å; I867-R870 WeakPolarHBondContact O-CB 3.31Å; I867-R870 PolarHBondContact O-N 3.46Å; S868-R870 PolarHBondContact O-N 2.93Å; S868-R870 VanDerWaalsContact O-N 3.08Å; R870-T872 VanDerWaalsContact C-N 3.29Å; R870-T872 PolarHBondContact O-N 2.85Å; R870-T872 VanDerWaalsContact O-N 3.08Å; R870-F897 HydrophobicContact CB-CD2 3.83Å; R870-F897 HydrophobicContact CB-CE2 3.69Å; R870-F897 HydrophobicContact CB-CG 4.4Å; R870-F897 HydrophobicContact CB-CZ 4.15Å |
| 871 | F | 84.2 | Confident | 75.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -86.3 | 69.6 | 177.5 | -68.1 | -90.4 | 0 | 0 | 0 | 110.7 | I867 S868 L876 I894 L911 P914 F940 | I867-F871 HydrophobicContact CB-CE2 4.5Å; I867-F871 HydrophobicContact CD1-CE2 3.82Å; I867-F871 HydrophobicContact CD1-CZ 4.26Å; I867-F871 HydrophobicContact CG1-CE2 3.96Å; I867-F871 WeakPolarHBondContact O-CD2 3.46Å; S868-F871 WeakPolarHBondContact O-CB 3.27Å; S868-F871 PolarHBondContact O-N 3.44Å; F871-L876 HydrophobicContact CB-CD1 4.46Å; F871-L876 HydrophobicContact CB-CD2 4.47Å; F871-L876 HydrophobicContact CD1-CD2 4.3Å; F871-I894 HydrophobicContact CD1-CD1 4.44Å; F871-I894 HydrophobicContact CD1-CG1 4.34Å; F871-I894 HydrophobicContact CE1-CB 4.33Å; F871-I894 HydrophobicContact CE1-CD1 4.03Å; F871-I894 HydrophobicContact CE1-CG1 3.72Å; F871-I894 HydrophobicContact CE1-CG2 3.82Å; F871-I894 HydrophobicContact CZ-CG2 4.1Å; F871-L911 HydrophobicContact CD2-CD2 4.21Å; F871-L911 HydrophobicContact CE2-CD2 4.17Å; F871-P914 HydrophobicContact CB-CB 4.41Å; F871-P914 HydrophobicContact CB-CG 3.78Å; F871-P914 HydrophobicContact CD1-CB 3.61Å; F871-P914 HydrophobicContact CD1-CG 3.95Å; F871-P914 HydrophobicContact CD2-CG 4.49Å; F871-P914 HydrophobicContact CE1-CB 4.02Å; F871-P914 HydrophobicContact CG-CB 3.96Å; F871-P914 HydrophobicContact CG-CG 3.81Å; F871-F940 AromaticContact CZ-CZ 3.83Å; F871-F940 HydrophobicContact CZ-CZ 3.83Å |
| 872 | T | 85.1 | Confident | 77.4 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 37% | 0.368 | 36% | 0.36 | S | S | . | . | trans | -61.6 | 151.3 | -178.8 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | R870 E874 L875 L876 | R870-T872 VanDerWaalsContact C-N 3.29Å; R870-T872 PolarHBondContact O-N 2.85Å; R870-T872 VanDerWaalsContact O-N 3.08Å; T872-E874 PolarHBondContact O-N 2.68Å; T872-E874 VanDerWaalsContact O-N 3.09Å; T872-L875 PolarHBondContact O-N 3.3Å; T872-L875 VanDerWaalsContact O-N 3.1Å; T872-L875 WeakPolarHBondContact OG1-CB 3.36Å; T872-L875 PolarHBondContact OG1-N 3.44Å; T872-L876 WeakPolarHBondContact O-CG 3.26Å; T872-L876 PolarHBondContact O-N 2.99Å | ||
| 873 | P | 80.8 | Confident | 79.3 | Confident | 116 Ų | 116 | 71.5 Ų | 71.5 | 75% | 0.753 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.3 | -27 | 174.9 | -26.4 | 35.4 | 0 | 0 | 0 | 113.6 | G877 | P873-G877 PolarHBondContact O-N 3.48Å |
| 874 | E | 84.7 | Confident | 81.5 | Confident | 154 Ų | 154 | 73.9 Ų | 73.9 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.4 | -48.7 | 175.1 | -175.1 | 169 | -146.3 | 0 | 0 | 112 | T872 L876 G877 L878 | T872-E874 PolarHBondContact O-N 2.68Å; T872-E874 VanDerWaalsContact O-N 3.09Å; E874-L876 VanDerWaalsContact C-N 3.29Å; E874-L876 PolarHBondContact O-N 3.34Å; E874-G877 CarbonylContact O-C 3.24Å; E874-G877 WeakPolarHBondContact O-CA 3.31Å; E874-G877 PolarHBondContact O-N 3.39Å; E874-L878 PolarHBondContact O-N 3.32Å |
| 875 | L | 88.2 | Confident | 83 | Confident | 13 Ų | 13 | 76.7 Ų | 76.7 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.6 | -178.9 | 63.2 | 0 | 0 | 0 | 111.9 | T872 G877 L878 L879 A890 T893 I894 F897 | T872-L875 PolarHBondContact O-N 3.3Å; T872-L875 VanDerWaalsContact O-N 3.1Å; T872-L875 WeakPolarHBondContact OG1-CB 3.36Å; T872-L875 PolarHBondContact OG1-N 3.44Å; L875-G877 VanDerWaalsContact C-N 3.29Å; L875-L878 PolarHBondContact O-N 3.21Å; L875-L879 PolarHBondContact O-N 2.95Å; L875-A890 HydrophobicContact CD1-CB 3.86Å; L875-T893 HydrophobicContact CD1-CG2 4.12Å; L875-T893 HydrophobicContact CD2-CG2 4.42Å; L875-I894 HydrophobicContact CD2-CG1 3.97Å; L875-I894 HydrophobicContact CG-CG1 4.4Å; L875-F897 HydrophobicContact CD2-CE2 3.76Å |
| 876 | L | 87.4 | Confident | 84.4 | Confident | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.2 | -23.9 | 173.6 | -63 | 178.3 | 0 | 0 | 0 | 112.8 | F871 T872 E874 L879 P914 M917 | F871-L876 HydrophobicContact CB-CD1 4.46Å; F871-L876 HydrophobicContact CB-CD2 4.47Å; F871-L876 HydrophobicContact CD1-CD2 4.3Å; T872-L876 WeakPolarHBondContact O-CG 3.26Å; T872-L876 PolarHBondContact O-N 2.99Å; E874-L876 VanDerWaalsContact C-N 3.29Å; E874-L876 PolarHBondContact O-N 3.34Å; L876-L879 HydrophobicContact CD2-CD1 4.27Å; L876-P914 HydrophobicContact CD1-CG 4.33Å; L876-P914 HydrophobicContact CD2-CB 4.15Å; L876-P914 HydrophobicContact CD2-CG 4.16Å; L876-M917 HydrophobicContact CB-CE 3.78Å; L876-M917 HydrophobicContact CB-SD 3.94Å; L876-M917 HydrophobicContact CD1-CE 3.9Å; L876-M917 HydrophobicContact CD2-CE 3.85Å; L876-M917 HydrophobicContact CD2-SD 4.09Å; L876-M917 HydrophobicContact CG-CE 4.04Å |
| 877 | G | 85 | Confident | 85.5 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P873 E874 L875 L879 K880 S881 | P873-G877 PolarHBondContact O-N 3.48Å; E874-G877 CarbonylContact O-C 3.24Å; E874-G877 WeakPolarHBondContact O-CA 3.31Å; E874-G877 PolarHBondContact O-N 3.39Å; L875-G877 VanDerWaalsContact C-N 3.29Å; G877-L879 VanDerWaalsContact C-N 3.32Å; G877-L879 PolarHBondContact O-N 2.94Å; G877-K880 CarbonylContact O-C 3.58Å; G877-K880 WeakPolarHBondContact O-CA 3.45Å; G877-K880 WeakPolarHBondContact O-CB 3.48Å; G877-K880 PolarHBondContact O-N 2.94Å; G877-S881 PolarHBondContact O-N 3.32Å |
| 878 | L | 87.1 | Confident | 86.2 | Confident | 52 Ų | 52 | 77.8 Ų | 77.8 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 176.6 | -67.9 | 171.2 | 0 | 0 | 0 | 111.9 | E874 L875 K880 S881 E886 R887 A890 | E874-L878 PolarHBondContact O-N 3.32Å; L875-L878 PolarHBondContact O-N 3.21Å; L878-K880 PolarHBondContact O-N 3.4Å; L878-S881 VanDerWaalsContact O-CB 3.23Å; L878-S881 WeakPolarHBondContact O-CB 3.47Å; L878-S881 PolarHBondContact O-N 3.35Å; L878-E886 HydrophobicContact CD2-CB 3.94Å; L878-E886 HydrophobicContact CD2-CG 4.09Å; L878-R887 WeakPolarHBondContact O-CG 3.13Å; L878-A890 HydrophobicContact CB-CB 3.81Å |
| 879 | L | 88 | Confident | 87 | Confident | 16 Ų | 16 | 82.8 Ų | 82.8 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.5 | 171.7 | -72.5 | 179.2 | 0 | 0 | 0 | 113.8 | L875 L876 G877 R887 A890 L891 I894 M917 I918 | L875-L879 PolarHBondContact O-N 2.95Å; L876-L879 HydrophobicContact CD2-CD1 4.27Å; G877-L879 VanDerWaalsContact C-N 3.32Å; G877-L879 PolarHBondContact O-N 2.94Å; L879-R887 WeakPolarHBondContact O-CD 3.14Å; L879-A890 HydrophobicContact CD2-CB 3.7Å; L879-A890 HydrophobicContact CG-CB 3.91Å; L879-L891 HydrophobicContact CD2-CD2 3.76Å; L879-L891 HydrophobicContact CD2-CG 3.94Å; L879-I894 HydrophobicContact CD1-CD1 3.81Å; L879-I894 HydrophobicContact CD2-CD1 4.31Å; L879-I894 HydrophobicContact CG-CD1 4.32Å; L879-M917 HydrophobicContact CD1-CB 3.91Å; L879-I918 HydrophobicContact CD1-CG1 4.34Å |
| 880 | K | 86.2 | Confident | 87.8 | Confident | 129 Ų | 129 | 76.6 Ų | 76.6 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.4 | 177.3 | -68.5 | 162.5 | 175.7 | 149.7 | 0 | 112.6 | G877 L878 E913 M917 | G877-K880 CarbonylContact O-C 3.58Å; G877-K880 WeakPolarHBondContact O-CA 3.45Å; G877-K880 WeakPolarHBondContact O-CB 3.48Å; G877-K880 PolarHBondContact O-N 2.94Å; L878-K880 PolarHBondContact O-N 3.4Å; K880-E913 IonicContact NZ-OE1 2.95Å; K880-E913 PolarHBondContact NZ-OE1 3.35Å; K880-M917 HydrophobicContact CD-SD 4.16Å; K880-M917 WeakPolarHBondContact CE-SD 3.24Å; K880-M917 HydrophobicContact CG-SD 4.36Å; K880-M917 VanDerWaalsContact NZ-CE 3.35Å; K880-M917 PolarHBondContact NZ-SD 2.77Å; K880-M917 VanDerWaalsContact NZ-SD 3.37Å |
| 881 | S | 88.3 | Confident | 88.4 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | trans | -64.2 | 144.8 | -178.1 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | G877 L878 I883 E886 R887 | G877-S881 PolarHBondContact O-N 3.32Å; L878-S881 VanDerWaalsContact O-CB 3.23Å; L878-S881 WeakPolarHBondContact O-CB 3.47Å; L878-S881 PolarHBondContact O-N 3.35Å; S881-I883 PolarHBondContact O-N 2.9Å; S881-I883 PolarHBondContact OG-N 3.12Å; S881-E886 WeakPolarHBondContact CB-OE2 3.08Å; S881-E886 PolarHBondContact OG-OE2 3.22Å; S881-R887 VanDerWaalsContact O-CD 3.28Å; S881-R887 WeakPolarHBondContact O-CD 3.38Å; S881-R887 WeakPolarHBondContact O-CG 3.37Å; S881-R887 PolarHBondContact O-NH1 2.91Å | ||
| 882 | K | 84.6 | Confident | 88.8 | Confident | 205 Ų | 205 | 71.1 Ų | 71.1 | 89% | 0.891 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -66.8 | -27.7 | 170.2 | -65 | -179.2 | -179 | 177.4 | 0 | 111.5 | W884 R887 | K882-W884 PolarHBondContact O-N 3.48Å; K882-R887 PolarHBondContact O-NH1 2.81Å |
| 883 | I | 88.5 | Confident | 89 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -80.9 | 117.2 | -178.1 | -65.6 | 167.4 | 0 | 0 | 0 | 109.2 | S881 K885 E886 R887 | S881-I883 PolarHBondContact O-N 2.9Å; S881-I883 PolarHBondContact OG-N 3.12Å; I883-K885 HydrophobicContact CG2-CB 4.18Å; I883-K885 PolarHBondContact O-N 2.92Å; I883-E886 HydrophobicContact CB-CG 4.39Å; I883-E886 WeakPolarHBondContact CB-OE1 3.01Å; I883-E886 WeakPolarHBondContact CD1-OE1 3.31Å; I883-E886 HydrophobicContact CG2-CG 4.2Å; I883-E886 WeakPolarHBondContact CG2-OE1 3.36Å; I883-E886 PolarHBondContact O-N 2.87Å; I883-R887 PolarHBondContact O-N 3.24Å |
| 884 | W | 91.6 | Very high | 89.5 | Confident | 127 Ų | 127 | 64.7 Ų | 64.7 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.6 | -21.6 | -174 | 72.3 | -95.5 | 0 | 0 | 0 | 113.8 | K882 L888 L929 | K882-W884 PolarHBondContact O-N 3.48Å; W884-L888 HydrophobicContact CZ3-CD2 4.08Å; W884-L888 PolarHBondContact O-N 2.72Å; W884-L929 HydrophobicContact CB-CD1 4.09Å |
| 885 | K | 90.8 | Very high | 89.7 | Confident | 136 Ų | 136 | 60 Ų | 60 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.6 | -46.1 | 175.7 | -71.5 | -170.5 | 174 | -171.3 | 0 | 111.8 | I883 R887 L888 E889 | I883-K885 HydrophobicContact CG2-CB 4.18Å; I883-K885 PolarHBondContact O-N 2.92Å; K885-R887 VanDerWaalsContact C-N 3.27Å; K885-R887 PolarHBondContact O-N 3.5Å; K885-L888 WeakPolarHBondContact O-CA 3.43Å; K885-L888 WeakPolarHBondContact O-CB 3.29Å; K885-L888 PolarHBondContact O-N 3.4Å; K885-E889 WeakPolarHBondContact O-CB 3.44Å; K885-E889 PolarHBondContact O-N 3.31Å |
| 886 | E | 92.3 | Very high | 89.5 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 175.1 | -71.5 | 157.3 | -143.5 | 0 | 0 | 111.2 | L878 S881 I883 E889 A890 | L878-E886 HydrophobicContact CD2-CB 3.94Å; L878-E886 HydrophobicContact CD2-CG 4.09Å; S881-E886 WeakPolarHBondContact CB-OE2 3.08Å; S881-E886 PolarHBondContact OG-OE2 3.22Å; I883-E886 HydrophobicContact CB-CG 4.39Å; I883-E886 WeakPolarHBondContact CB-OE1 3.01Å; I883-E886 WeakPolarHBondContact CD1-OE1 3.31Å; I883-E886 HydrophobicContact CG2-CG 4.2Å; I883-E886 WeakPolarHBondContact CG2-OE1 3.36Å; I883-E886 PolarHBondContact O-N 2.87Å; E886-E889 PolarHBondContact O-N 2.73Å; E886-A890 WeakPolarHBondContact O-CB 3.47Å; E886-A890 PolarHBondContact O-N 3.49Å |
| 887 | R | 93.8 | Very high | 89.1 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 171.4 | -61.3 | -158.2 | -57.2 | -78.4 | 6.5 | 113 | L878 L879 S881 K882 I883 K885 L891 D924 L929 | L878-R887 WeakPolarHBondContact O-CG 3.13Å; L879-R887 WeakPolarHBondContact O-CD 3.14Å; S881-R887 VanDerWaalsContact O-CD 3.28Å; S881-R887 WeakPolarHBondContact O-CD 3.38Å; S881-R887 WeakPolarHBondContact O-CG 3.37Å; S881-R887 PolarHBondContact O-NH1 2.91Å; K882-R887 PolarHBondContact O-NH1 2.81Å; I883-R887 PolarHBondContact O-N 3.24Å; K885-R887 VanDerWaalsContact C-N 3.27Å; K885-R887 PolarHBondContact O-N 3.5Å; R887-L891 WeakPolarHBondContact O-CG 3.45Å; R887-L891 PolarHBondContact O-N 3.5Å; R887-D924 IonicContact CZ-OD1 3.22Å; R887-D924 IonicContact CZ-OD2 2.7Å; R887-D924 IonicContact NE-OD2 3.52Å; R887-D924 PolarHBondContact NE-OD2 2.8Å; R887-D924 VanDerWaalsContact NH2-CG 3.31Å; R887-D924 IonicContact NH2-OD1 3.03Å; R887-D924 PolarHBondContact NH2-OD1 3.17Å; R887-D924 IonicContact NH2-OD2 3.65Å; R887-D924 PolarHBondContact NH2-OD2 2.74Å; R887-L929 HydrophobicContact CB-CD1 3.79Å; R887-L929 HydrophobicContact CB-CD2 4.39Å |
| 888 | L | 92.7 | Very high | 88.8 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 175.3 | -178.2 | 59.7 | 0 | 0 | 0 | 111.4 | W884 K885 L891 T892 L929 | W884-L888 HydrophobicContact CZ3-CD2 4.08Å; W884-L888 PolarHBondContact O-N 2.72Å; K885-L888 WeakPolarHBondContact O-CA 3.43Å; K885-L888 WeakPolarHBondContact O-CB 3.29Å; K885-L888 PolarHBondContact O-N 3.4Å; L888-L891 PolarHBondContact O-N 3.1Å; L888-T892 WeakPolarHBondContact O-CB 3.17Å; L888-T892 PolarHBondContact O-N 2.99Å; L888-T892 PolarHBondContact O-OG1 3Å; L888-L929 VanDerWaalsContact CA-CD2 3.46Å; L888-L929 HydrophobicContact CB-CD2 3.66Å; L888-L929 HydrophobicContact CD1-CD2 3.94Å; L888-L929 HydrophobicContact CG-CD2 4.39Å |
| 889 | E | 90.9 | Very high | 88.1 | Confident | 117 Ų | 117 | 67.7 Ų | 67.7 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.2 | -175.8 | 176.3 | 177 | 0 | 0 | 111.4 | K885 E886 T892 T893 | K885-E889 WeakPolarHBondContact O-CB 3.44Å; K885-E889 PolarHBondContact O-N 3.31Å; E886-E889 PolarHBondContact O-N 2.73Å; E889-T892 PolarHBondContact O-N 3.09Å; E889-T893 VanDerWaalsContact O-CB 3.32Å; E889-T893 WeakPolarHBondContact O-CB 3.31Å; E889-T893 PolarHBondContact O-N 3.42Å; E889-T893 PolarHBondContact O-OG1 2.94Å |
| 890 | A | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L875 L878 L879 E886 T892 T893 I894 | L875-A890 HydrophobicContact CD1-CB 3.86Å; L878-A890 HydrophobicContact CB-CB 3.81Å; L879-A890 HydrophobicContact CD2-CB 3.7Å; L879-A890 HydrophobicContact CG-CB 3.91Å; E886-A890 WeakPolarHBondContact O-CB 3.47Å; E886-A890 PolarHBondContact O-N 3.49Å; A890-T892 PolarHBondContact O-N 3.19Å; A890-T893 PolarHBondContact O-N 3.3Å; A890-I894 VanDerWaalsContact O-CG1 3.25Å; A890-I894 WeakPolarHBondContact O-CG1 3.29Å; A890-I894 PolarHBondContact O-N 2.98Å |
| 891 | L | 94.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176 | -71.7 | 177.8 | 0 | 0 | 0 | 112 | L879 R887 L888 T893 I894 E895 I918 A921 L929 Q932 A933 I936 | L879-L891 HydrophobicContact CD2-CD2 3.76Å; L879-L891 HydrophobicContact CD2-CG 3.94Å; R887-L891 WeakPolarHBondContact O-CG 3.45Å; R887-L891 PolarHBondContact O-N 3.5Å; L888-L891 PolarHBondContact O-N 3.1Å; L891-T893 VanDerWaalsContact C-N 3.28Å; L891-T893 PolarHBondContact O-N 3.05Å; L891-I894 PolarHBondContact O-N 3.47Å; L891-E895 WeakPolarHBondContact O-CB 3.43Å; L891-E895 PolarHBondContact O-N 3.43Å; L891-I918 HydrophobicContact CD2-CG2 4.32Å; L891-A921 HydrophobicContact CD2-CB 4.46Å; L891-L929 HydrophobicContact CD1-CB 4.32Å; L891-L929 HydrophobicContact CD1-CD2 4.01Å; L891-Q932 HydrophobicContact CB-CG 4.48Å; L891-Q932 HydrophobicContact CD1-CB 4.33Å; L891-A933 HydrophobicContact CD1-CB 4.24Å; L891-A933 HydrophobicContact CD2-CB 4.28Å; L891-I936 HydrophobicContact CB-CD1 3.82Å; L891-I936 HydrophobicContact CD2-CD1 3.94Å; L891-I936 HydrophobicContact CG-CD1 4.41Å; L891-I936 VanDerWaalsContact O-CD1 3.25Å; L891-I936 WeakPolarHBondContact O-CD1 3.39Å |
| 892 | T | 92 | Very high | 83.7 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 178.3 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | L888 E889 A890 K896 | L888-T892 WeakPolarHBondContact O-CB 3.17Å; L888-T892 PolarHBondContact O-N 2.99Å; L888-T892 PolarHBondContact O-OG1 3Å; E889-T892 PolarHBondContact O-N 3.09Å; A890-T892 PolarHBondContact O-N 3.19Å; T892-K896 VanDerWaalsContact O-CG 3.32Å; T892-K896 WeakPolarHBondContact O-CG 3.23Å; T892-K896 PolarHBondContact O-N 3.43Å |
| 893 | T | 89 | Confident | 82.9 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.5 | -39.1 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | L875 E889 A890 L891 K896 F897 | L875-T893 HydrophobicContact CD1-CG2 4.12Å; L875-T893 HydrophobicContact CD2-CG2 4.42Å; E889-T893 VanDerWaalsContact O-CB 3.32Å; E889-T893 WeakPolarHBondContact O-CB 3.31Å; E889-T893 PolarHBondContact O-N 3.42Å; E889-T893 PolarHBondContact O-OG1 2.94Å; A890-T893 PolarHBondContact O-N 3.3Å; L891-T893 VanDerWaalsContact C-N 3.28Å; L891-T893 PolarHBondContact O-N 3.05Å; T893-K896 WeakPolarHBondContact O-CB 3.27Å; T893-K896 PolarHBondContact O-N 3Å; T893-F897 HydrophobicContact CG2-CE1 4.17Å; T893-F897 HydrophobicContact CG2-CE2 4.05Å; T893-F897 HydrophobicContact CG2-CZ 3.64Å; T893-F897 WeakPolarHBondContact O-CG 3.49Å; T893-F897 PolarHBondContact O-N 3.43Å |
| 894 | I | 90.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 174.9 | -68.5 | 167.9 | 0 | 0 | 0 | 111.1 | F871 L875 L879 A890 L891 K896 F897 V898 I918 I936 F940 | F871-I894 HydrophobicContact CD1-CD1 4.44Å; F871-I894 HydrophobicContact CD1-CG1 4.34Å; F871-I894 HydrophobicContact CE1-CB 4.33Å; F871-I894 HydrophobicContact CE1-CD1 4.03Å; F871-I894 HydrophobicContact CE1-CG1 3.72Å; F871-I894 HydrophobicContact CE1-CG2 3.82Å; F871-I894 HydrophobicContact CZ-CG2 4.1Å; L875-I894 HydrophobicContact CD2-CG1 3.97Å; L875-I894 HydrophobicContact CG-CG1 4.4Å; L879-I894 HydrophobicContact CD1-CD1 3.81Å; L879-I894 HydrophobicContact CD2-CD1 4.31Å; L879-I894 HydrophobicContact CG-CD1 4.32Å; A890-I894 VanDerWaalsContact O-CG1 3.25Å; A890-I894 WeakPolarHBondContact O-CG1 3.29Å; A890-I894 PolarHBondContact O-N 2.98Å; L891-I894 PolarHBondContact O-N 3.47Å; I894-K896 VanDerWaalsContact C-N 3.32Å; I894-K896 PolarHBondContact O-N 2.94Å; I894-F897 WeakPolarHBondContact O-CA 3.37Å; I894-F897 WeakPolarHBondContact O-CB 3.2Å; I894-F897 PolarHBondContact O-N 3.46Å; I894-V898 HydrophobicContact CG2-CG2 4.49Å; I894-V898 PolarHBondContact O-N 2.77Å; I894-V898 VanDerWaalsContact O-N 3.1Å; I894-I918 HydrophobicContact CD1-CD1 4.27Å; I894-I918 HydrophobicContact CD1-CG1 4.25Å; I894-I918 HydrophobicContact CG2-CD1 3.86Å; I894-I936 HydrophobicContact CG2-CG2 3.9Å; I894-F940 HydrophobicContact CG2-CE2 4.09Å |
| 895 | E | 88.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.5 | -47.2 | 173.7 | -175.8 | 174.8 | -148.6 | 0 | 0 | 111.3 | L891 F897 V898 T899 Q932 I936 | L891-E895 WeakPolarHBondContact O-CB 3.43Å; L891-E895 PolarHBondContact O-N 3.43Å; E895-F897 PolarHBondContact O-N 3.42Å; E895-F897 VanDerWaalsContact O-N 3.13Å; E895-V898 PolarHBondContact O-N 3.49Å; E895-T899 WeakPolarHBondContact O-CB 3.47Å; E895-T899 PolarHBondContact O-N 2.98Å; E895-T899 PolarHBondContact O-OG1 3.44Å; E895-Q932 PolarHBondContact OE1-NE2 3.34Å; E895-Q932 PolarHBondContact OE2-NE2 3.38Å; E895-I936 HydrophobicContact CB-CD1 4.15Å; E895-I936 HydrophobicContact CB-CG1 4.07Å; E895-I936 HydrophobicContact CG-CG1 4.48Å |
| 896 | K | 83.9 | Confident | 80.5 | Confident | 142 Ų | 142 | 45.8 Ų | 45.8 | 62% | 0.617 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.7 | -21.3 | 174.3 | -70.5 | 168.3 | -177.8 | 175.3 | 0 | 114.4 | T892 T893 I894 P900 | T892-K896 VanDerWaalsContact O-CG 3.32Å; T892-K896 WeakPolarHBondContact O-CG 3.23Å; T892-K896 PolarHBondContact O-N 3.43Å; T893-K896 WeakPolarHBondContact O-CB 3.27Å; T893-K896 PolarHBondContact O-N 3Å; I894-K896 VanDerWaalsContact C-N 3.32Å; I894-K896 PolarHBondContact O-N 2.94Å; K896-P900 WeakPolarHBondContact O-CD 3.34Å; K896-P900 WeakPolarHBondContact O-CG 3.37Å |
| 897 | F | 80.3 | Confident | 79.4 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -86 | -33.6 | 173.8 | -58.3 | -22.6 | 0 | 0 | 0 | 112.6 | R870 L875 T893 I894 E895 S901 | R870-F897 HydrophobicContact CB-CD2 3.83Å; R870-F897 HydrophobicContact CB-CE2 3.69Å; R870-F897 HydrophobicContact CB-CG 4.4Å; R870-F897 HydrophobicContact CB-CZ 4.15Å; L875-F897 HydrophobicContact CD2-CE2 3.76Å; T893-F897 HydrophobicContact CG2-CE1 4.17Å; T893-F897 HydrophobicContact CG2-CE2 4.05Å; T893-F897 HydrophobicContact CG2-CZ 3.64Å; T893-F897 WeakPolarHBondContact O-CG 3.49Å; T893-F897 PolarHBondContact O-N 3.43Å; I894-F897 WeakPolarHBondContact O-CA 3.37Å; I894-F897 WeakPolarHBondContact O-CB 3.2Å; I894-F897 PolarHBondContact O-N 3.46Å; E895-F897 PolarHBondContact O-N 3.42Å; E895-F897 VanDerWaalsContact O-N 3.13Å; F897-S901 WeakPolarHBondContact O-CB 3.23Å; F897-S901 PolarHBondContact O-OG 2.83Å |
| 898 | V | 78.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -82.4 | -44.3 | -178.5 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | I867 I894 E895 S901 I904 S939 F940 | I867-V898 HydrophobicContact CD1-CG2 4.46Å; I894-V898 HydrophobicContact CG2-CG2 4.49Å; I894-V898 PolarHBondContact O-N 2.77Å; I894-V898 VanDerWaalsContact O-N 3.1Å; E895-V898 PolarHBondContact O-N 3.49Å; V898-S901 WeakPolarHBondContact O-CA 3.44Å; V898-S901 WeakPolarHBondContact O-CB 3.46Å; V898-S901 PolarHBondContact O-N 3.21Å; V898-I904 HydrophobicContact CG1-CD1 4.12Å; V898-I904 HydrophobicContact CG2-CD1 4.47Å; V898-S939 WeakPolarHBondContact CG1-OG 3.25Å; V898-F940 HydrophobicContact CG2-CD1 4.39Å; V898-F940 HydrophobicContact CG2-CD2 3.89Å; V898-F940 HydrophobicContact CG2-CE1 4.06Å; V898-F940 HydrophobicContact CG2-CE2 3.5Å; V898-F940 HydrophobicContact CG2-CG 4.33Å; V898-F940 HydrophobicContact CG2-CZ 3.61Å |
| 899 | T | 72.7 | Confident | 77.6 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -41.2 | -174.9 | -54.8 | 0 | 0 | 0 | 0 | 115.6 | E895 S901 | E895-T899 WeakPolarHBondContact O-CB 3.47Å; E895-T899 PolarHBondContact O-N 2.98Å; E895-T899 PolarHBondContact O-OG1 3.44Å; T899-S901 VanDerWaalsContact C-N 3.34Å |
| 900 | P | 57 | Low | 77 | Confident | 94 Ų | 94 | 45.4 Ų | 45.4 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.6 | 174.4 | 33.5 | -36.1 | 0 | 0 | 0 | 113.8 | K896 N902 | K896-P900 WeakPolarHBondContact O-CD 3.34Å; K896-P900 WeakPolarHBondContact O-CG 3.37Å; P900-N902 PolarHBondContact O-N 3.15Å |
| 901 | S | 53.4 | Low | 76.6 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | trans | -94.6 | 85.3 | -173 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | F897 V898 T899 L903 S943 | F897-S901 WeakPolarHBondContact O-CB 3.23Å; F897-S901 PolarHBondContact O-OG 2.83Å; V898-S901 WeakPolarHBondContact O-CA 3.44Å; V898-S901 WeakPolarHBondContact O-CB 3.46Å; V898-S901 PolarHBondContact O-N 3.21Å; T899-S901 VanDerWaalsContact C-N 3.34Å; S901-L903 PolarHBondContact O-N 2.73Å; S901-S943 WeakPolarHBondContact O-CB 3.48Å; S901-S943 PolarHBondContact O-OG 3.24Å | ||
| 902 | N | 59.6 | Low | 76.2 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -60.5 | -30.2 | -179.2 | -77.7 | -27.1 | 0 | 0 | 0 | 114 | P900 | P900-N902 PolarHBondContact O-N 3.15Š|
| 903 | L | 66.7 | Low | 75.9 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -140.4 | 109.1 | 179.3 | -82.7 | 149.8 | 0 | 0 | 0 | 109.2 | D859 L862 V865 S901 S943 P945 | D859-L903 HydrophobicContact CB-CD2 4.16Å; L862-L903 HydrophobicContact CB-CD1 3.31Å; L862-L903 HydrophobicContact CD1-CD1 3.93Å; L862-L903 HydrophobicContact CG-CD1 4.27Å; V865-L903 PolarHBondContact N-O 3.08Å; S901-L903 PolarHBondContact O-N 2.73Å; L903-S943 CarbonylContact C-O 3.58Å; L903-S943 WeakPolarHBondContact CA-O 3.41Å; L903-P945 HydrophobicContact CD2-CG 4.16Å |
| 904 | I | 77.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 134.5 | 177.5 | -69.2 | 165.9 | 0 | 0 | 0 | 109.2 | V865 I867 V898 A906 L911 F940 S943 M944 P945 | V865-I904 WeakPolarHBondContact O-CA 3.38Å; I867-I904 HydrophobicContact CD1-CD1 3.62Å; I867-I904 HydrophobicContact CD1-CG1 3.93Å; I867-I904 HydrophobicContact CD1-CG2 4.23Å; I867-I904 HydrophobicContact CG1-CD1 4.47Å; I867-I904 HydrophobicContact CG1-CG1 4.33Å; I867-I904 HydrophobicContact CG1-CG2 3.95Å; V898-I904 HydrophobicContact CG1-CD1 4.12Å; V898-I904 HydrophobicContact CG2-CD1 4.47Å; I904-A906 PolarHBondContact O-N 2.91Å; I904-L911 HydrophobicContact CG2-CD1 3.6Å; I904-F940 HydrophobicContact CD1-CD1 3.98Å; I904-F940 HydrophobicContact CD1-CE1 3.96Å; I904-S943 PolarHBondContact N-O 2.93Å; I904-M944 HydrophobicContact CB-CG 4.27Å; I904-M944 HydrophobicContact CG2-CG 4.43Å; I904-P945 VanDerWaalsContact O-CD 3.26Å; I904-P945 WeakPolarHBondContact O-CD 3.38Å |
| 905 | D | 73.2 | Confident | 75.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | trans | -77.7 | 114.6 | 165.5 | -168.9 | 3.7 | 0 | 0 | 0 | 109.7 | K864 V865 D866 S907 | K864-D905 HydrophobicContact CB-CB 3.75Å; K864-D905 HydrophobicContact CD-CB 4.22Å; V865-D905 PolarHBondContact O-N 3.08Å; D866-D905 HydrophobicContact CB-CB 4.3Å; D905-S907 VanDerWaalsContact OD1-CB 3.27Å; D905-S907 WeakPolarHBondContact OD1-CB 3.34Å; D905-S907 PolarHBondContact OD1-N 3.28Å; D905-S907 PolarHBondContact OD1-OG 2.95Å; D905-S907 PolarHBondContact OD2-OG 2.74Å | ||
| 906 | A | 70.1 | Confident | 75.8 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | trans | -118.5 | 9.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I904 N908 L911 M944 D948 Y952 | I904-A906 PolarHBondContact O-N 2.91Å; A906-N908 VanDerWaalsContact C-N 3.26Å; A906-N908 PolarHBondContact O-N 3.03Å; A906-L911 HydrophobicContact CB-CD1 3.82Å; A906-M944 HydrophobicContact CB-CG 4.03Å; A906-M944 HydrophobicContact CB-SD 3.57Å; A906-M944 VanDerWaalsContact CB-SD 3.57Å; A906-D948 HydrophobicContact CB-CB 3.9Å; A906-Y952 HydrophobicContact CB-CD2 4.45Å; A906-Y952 HydrophobicContact CB-CE2 3.72Å; A906-Y952 WeakPolarHBondContact O-CE2 3.46Å; A906-Y952 PolarHBondContact O-OH 3.14Å | ||
| 907 | S | 69.9 | Low | 75.9 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24.3 | 179.6 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | D905 G909 | D905-S907 VanDerWaalsContact OD1-CB 3.27Å; D905-S907 WeakPolarHBondContact OD1-CB 3.34Å; D905-S907 PolarHBondContact OD1-N 3.28Å; D905-S907 PolarHBondContact OD1-OG 2.95Å; D905-S907 PolarHBondContact OD2-OG 2.74Å; S907-G909 VanDerWaalsContact C-N 3.31Å; S907-G909 PolarHBondContact O-N 2.74Å |
| 908 | N | 74.1 | Confident | 76.5 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.2 | -173.2 | 67.7 | 28 | 0 | 0 | 0 | 115.2 | D866 A906 K910 | D866-N908 VanDerWaalsContact CG-ND2 3.3Å; D866-N908 PolarHBondContact OD1-ND2 3.4Å; D866-N908 PolarHBondContact OD2-ND2 3.17Å; A906-N908 VanDerWaalsContact C-N 3.26Å; A906-N908 PolarHBondContact O-N 3.03Å; N908-K910 HydrophobicContact CB-CG 4.43Å; N908-K910 PolarHBondContact O-N 3.32Å; N908-K910 VanDerWaalsContact OD1-CB 3.28Å; N908-K910 WeakPolarHBondContact OD1-CB 3.25Å; N908-K910 WeakPolarHBondContact OD1-CG 3.32Å; N908-K910 PolarHBondContact OD1-N 3.18Å |
| 909 | G | 73.9 | Confident | 77.1 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 75.6 | -28.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S907 L911 Q912 Y952 | S907-G909 VanDerWaalsContact C-N 3.31Å; S907-G909 PolarHBondContact O-N 2.74Å; G909-L911 PolarHBondContact O-N 3.35Å; G909-Q912 WeakPolarHBondContact O-CB 3.32Å; G909-Q912 PolarHBondContact O-N 2.67Å; G909-Y952 VanDerWaalsContact C-OH 3.23Å; G909-Y952 WeakPolarHBondContact CA-OH 3.43Å; G909-Y952 PolarHBondContact O-OH 3.15Å; G909-Y952 VanDerWaalsContact O-OH 3.11Å |
| 910 | K | 79.1 | Confident | 77.9 | Confident | 100 Ų | 100 | 44.2 Ų | 44.2 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -33.1 | -170.9 | -62.3 | 173.6 | 179.5 | 174.5 | 0 | 114.1 | D866 S868 D869 N908 Q912 | D866-K910 IonicContact OD2-NZ 2.82Å; D866-K910 PolarHBondContact OD2-NZ 2.92Å; S868-K910 WeakPolarHBondContact OG-CD 3.39Å; S868-K910 PolarHBondContact OG-NZ 3.2Å; D869-K910 IonicContact OD1-NZ 3.18Å; D869-K910 PolarHBondContact OD1-NZ 3.34Å; N908-K910 HydrophobicContact CB-CG 4.43Å; N908-K910 PolarHBondContact O-N 3.32Å; N908-K910 VanDerWaalsContact OD1-CB 3.28Å; N908-K910 WeakPolarHBondContact OD1-CB 3.25Å; N908-K910 WeakPolarHBondContact OD1-CG 3.32Å; N908-K910 PolarHBondContact OD1-N 3.18Å; K910-Q912 PolarHBondContact O-N 3.14Å; K910-Q912 VanDerWaalsContact O-N 3.11Å |
| 911 | L | 84 | Confident | 79.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -4.5 | -178.8 | -61.8 | 179.3 | 0 | 0 | 0 | 114.6 | I867 F871 I904 A906 G909 P914 L915 Y952 | I867-L911 HydrophobicContact CG1-CD2 4.43Å; F871-L911 HydrophobicContact CD2-CD2 4.21Å; F871-L911 HydrophobicContact CE2-CD2 4.17Å; I904-L911 HydrophobicContact CG2-CD1 3.6Å; A906-L911 HydrophobicContact CB-CD1 3.82Å; G909-L911 PolarHBondContact O-N 3.35Å; L911-P914 WeakPolarHBondContact O-CD 3.49Å; L911-L915 HydrophobicContact CB-CD1 4.15Å; L911-L915 VanDerWaalsContact O-CB 3.31Å; L911-L915 WeakPolarHBondContact O-CB 3.38Å; L911-L915 WeakPolarHBondContact O-CG 3.49Å; L911-L915 PolarHBondContact O-N 2.67Å; L911-Y952 HydrophobicContact CB-CE1 4.33Å |
| 912 | Q | 85.8 | Confident | 81.3 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60 | -48.9 | -179.4 | -172.6 | -171.8 | -27.7 | 0 | 0 | 113 | G909 K910 T916 Y952 Y955 | G909-Q912 WeakPolarHBondContact O-CB 3.32Å; G909-Q912 PolarHBondContact O-N 2.67Å; K910-Q912 PolarHBondContact O-N 3.14Å; K910-Q912 VanDerWaalsContact O-N 3.11Å; Q912-T916 VanDerWaalsContact O-CB 3.27Å; Q912-T916 WeakPolarHBondContact O-CB 3.46Å; Q912-T916 PolarHBondContact O-N 3.26Å; Q912-T916 PolarHBondContact O-OG1 2.84Å; Q912-Y952 HydrophobicContact CB-CE1 3.99Å; Q912-Y955 HydrophobicContact CG-CD2 3.96Å; Q912-Y955 HydrophobicContact CG-CE1 4.43Å; Q912-Y955 HydrophobicContact CG-CE2 3.81Å; Q912-Y955 HydrophobicContact CG-CG 4.35Å; Q912-Y955 VanDerWaalsContact NE2-CZ 3.35Å; Q912-Y955 PolarHBondContact NE2-OH 2.65Å |
| 913 | E | 85.7 | Confident | 82.7 | Confident | 112 Ų | 112 | 37.9 Ų | 37.9 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.4 | -45.9 | -178.9 | -148 | -158.4 | 152.9 | 0 | 0 | 112.1 | K880 T916 M917 | K880-E913 IonicContact NZ-OE1 2.95Å; K880-E913 PolarHBondContact NZ-OE1 3.35Å; E913-T916 PolarHBondContact O-N 2.85Å; E913-M917 HydrophobicContact CB-CE 4.25Å; E913-M917 HydrophobicContact CG-CE 3.55Å; E913-M917 PolarHBondContact O-N 3.41Å; E913-M917 WeakPolarHBondContact OE1-CE 3.4Å |
| 914 | P | 87 | Confident | 83.9 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.5 | -52.5 | 171.8 | -28.2 | 35.4 | 0 | 0 | 0 | 113.9 | F871 L876 L911 T916 M917 I918 | F871-P914 HydrophobicContact CB-CB 4.41Å; F871-P914 HydrophobicContact CB-CG 3.78Å; F871-P914 HydrophobicContact CD1-CB 3.61Å; F871-P914 HydrophobicContact CD1-CG 3.95Å; F871-P914 HydrophobicContact CD2-CG 4.49Å; F871-P914 HydrophobicContact CE1-CB 4.02Å; F871-P914 HydrophobicContact CG-CB 3.96Å; F871-P914 HydrophobicContact CG-CG 3.81Å; L876-P914 HydrophobicContact CD1-CG 4.33Å; L876-P914 HydrophobicContact CD2-CB 4.15Å; L876-P914 HydrophobicContact CD2-CG 4.16Å; L911-P914 WeakPolarHBondContact O-CD 3.49Å; P914-T916 VanDerWaalsContact C-N 3.31Å; P914-T916 PolarHBondContact O-N 3.5Å; P914-M917 PolarHBondContact O-N 2.77Å; P914-M917 VanDerWaalsContact O-N 3.1Å; P914-I918 VanDerWaalsContact O-CG1 3.31Å; P914-I918 WeakPolarHBondContact O-CG1 3.01Å; P914-I918 PolarHBondContact O-N 2.89Å |
| 915 | L | 89.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 179.8 | -75.1 | 170.6 | 0 | 0 | 0 | 111.6 | L911 M917 I918 A919 L937 F940 M944 Y952 V956 | L911-L915 HydrophobicContact CB-CD1 4.15Å; L911-L915 VanDerWaalsContact O-CB 3.31Å; L911-L915 WeakPolarHBondContact O-CB 3.38Å; L911-L915 WeakPolarHBondContact O-CG 3.49Å; L911-L915 PolarHBondContact O-N 2.67Å; L915-M917 VanDerWaalsContact C-N 3.32Å; L915-M917 PolarHBondContact O-N 3.39Å; L915-I918 PolarHBondContact O-N 3.23Å; L915-A919 VanDerWaalsContact O-CB 3.24Å; L915-A919 WeakPolarHBondContact O-CB 3.38Å; L915-A919 PolarHBondContact O-N 3.06Å; L915-L937 HydrophobicContact CD2-CD2 4.41Å; L915-F940 HydrophobicContact CD2-CB 4.1Å; L915-F940 HydrophobicContact CD2-CD1 3.83Å; L915-F940 HydrophobicContact CD2-CD2 3.76Å; L915-F940 HydrophobicContact CD2-CE1 4.1Å; L915-F940 HydrophobicContact CD2-CE2 4.05Å; L915-F940 HydrophobicContact CD2-CG 3.64Å; L915-F940 HydrophobicContact CD2-CZ 4.2Å; L915-M944 HydrophobicContact CD1-CE 4.11Å; L915-M944 HydrophobicContact CD1-SD 4.42Å; L915-Y952 HydrophobicContact CD1-CD1 3.61Å; L915-Y952 HydrophobicContact CD1-CD2 4.42Å; L915-Y952 HydrophobicContact CD1-CE1 4.11Å; L915-Y952 HydrophobicContact CD1-CG 3.78Å; L915-V956 HydrophobicContact CB-CG2 4.13Å |
| 916 | T | 89.9 | Confident | 85.3 | Confident | 30 Ų | 30 | 45 Ų | 45 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -34.5 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | Q912 E913 P914 K920 | Q912-T916 VanDerWaalsContact O-CB 3.27Å; Q912-T916 WeakPolarHBondContact O-CB 3.46Å; Q912-T916 PolarHBondContact O-N 3.26Å; Q912-T916 PolarHBondContact O-OG1 2.84Å; E913-T916 PolarHBondContact O-N 2.85Å; P914-T916 VanDerWaalsContact C-N 3.31Å; P914-T916 PolarHBondContact O-N 3.5Å; T916-K920 HydrophobicContact CG2-CD 4.4Å; T916-K920 VanDerWaalsContact O-CG 3.29Å; T916-K920 WeakPolarHBondContact O-CG 3.36Å; T916-K920 PolarHBondContact O-N 3.45Å; T916-K920 VanDerWaalsContact O-N 3.1Å |
| 917 | M | 87.3 | Confident | 86.4 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.9 | -42.7 | 175.2 | -76.9 | -172.9 | -115.9 | 0 | 0 | 112.7 | L876 L879 K880 E913 P914 L915 A919 K920 A921 | L876-M917 HydrophobicContact CB-CE 3.78Å; L876-M917 HydrophobicContact CB-SD 3.94Å; L876-M917 HydrophobicContact CD1-CE 3.9Å; L876-M917 HydrophobicContact CD2-CE 3.85Å; L876-M917 HydrophobicContact CD2-SD 4.09Å; L876-M917 HydrophobicContact CG-CE 4.04Å; L879-M917 HydrophobicContact CD1-CB 3.91Å; K880-M917 HydrophobicContact CD-SD 4.16Å; K880-M917 WeakPolarHBondContact CE-SD 3.24Å; K880-M917 HydrophobicContact CG-SD 4.36Å; K880-M917 VanDerWaalsContact NZ-CE 3.35Å; K880-M917 PolarHBondContact NZ-SD 2.77Å; K880-M917 VanDerWaalsContact NZ-SD 3.37Å; E913-M917 HydrophobicContact CB-CE 4.25Å; E913-M917 HydrophobicContact CG-CE 3.55Å; E913-M917 PolarHBondContact O-N 3.41Å; E913-M917 WeakPolarHBondContact OE1-CE 3.4Å; P914-M917 PolarHBondContact O-N 2.77Å; P914-M917 VanDerWaalsContact O-N 3.1Å; L915-M917 VanDerWaalsContact C-N 3.32Å; L915-M917 PolarHBondContact O-N 3.39Å; M917-A919 VanDerWaalsContact C-N 3.34Å; M917-K920 PolarHBondContact O-N 3.37Å; M917-A921 PolarHBondContact O-N 3.33Å |
| 918 | I | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.9 | -58.6 | 158.6 | 0 | 0 | 0 | 109.9 | L879 L891 I894 P914 L915 K920 A921 A922 A933 I936 L937 F940 | L879-I918 HydrophobicContact CD1-CG1 4.34Å; L891-I918 HydrophobicContact CD2-CG2 4.32Å; I894-I918 HydrophobicContact CD1-CD1 4.27Å; I894-I918 HydrophobicContact CD1-CG1 4.25Å; I894-I918 HydrophobicContact CG2-CD1 3.86Å; P914-I918 VanDerWaalsContact O-CG1 3.31Å; P914-I918 WeakPolarHBondContact O-CG1 3.01Å; P914-I918 PolarHBondContact O-N 2.89Å; L915-I918 PolarHBondContact O-N 3.23Å; I918-K920 VanDerWaalsContact C-N 3.34Å; I918-K920 PolarHBondContact O-N 2.99Å; I918-A921 WeakPolarHBondContact O-CA 3.37Å; I918-A921 WeakPolarHBondContact O-CB 3.36Å; I918-A921 PolarHBondContact O-N 2.81Å; I918-A922 PolarHBondContact O-N 2.88Å; I918-A922 VanDerWaalsContact O-N 3.14Å; I918-A933 HydrophobicContact CG2-CB 4.27Å; I918-I936 HydrophobicContact CD1-CG2 4.36Å; I918-I936 HydrophobicContact CG2-CB 4.35Å; I918-I936 HydrophobicContact CG2-CG2 3.95Å; I918-L937 HydrophobicContact CB-CD2 4.12Å; I918-L937 HydrophobicContact CG2-CD2 3.75Å; I918-L937 HydrophobicContact CG2-CG 3.89Å; I918-F940 HydrophobicContact CD1-CD2 4.41Å; I918-F940 HydrophobicContact CD1-CE2 3.68Å; I918-F940 HydrophobicContact CD1-CZ 4.43Å |
| 919 | A | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L915 M917 A921 A922 L937 P959 | L915-A919 VanDerWaalsContact O-CB 3.24Å; L915-A919 WeakPolarHBondContact O-CB 3.38Å; L915-A919 PolarHBondContact O-N 3.06Å; M917-A919 VanDerWaalsContact C-N 3.34Å; A919-A921 VanDerWaalsContact C-N 3.33Å; A919-A921 PolarHBondContact O-N 3.26Å; A919-A922 WeakPolarHBondContact O-CB 3.4Å; A919-A922 PolarHBondContact O-N 3.46Å; A919-L937 HydrophobicContact CB-CD1 4.34Å; A919-L937 HydrophobicContact CB-CD2 4.44Å; A919-P959 HydrophobicContact CB-CB 4.09Å; A919-P959 HydrophobicContact CB-CG 3.89Å; A919-P959 WeakPolarHBondContact O-CB 3.32Å |
| 920 | K | 89.3 | Confident | 89.1 | Confident | 144 Ų | 144 | 45.5 Ų | 45.5 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.9 | -35.9 | 171.8 | -74.6 | 169.8 | -177.8 | 176.7 | 0 | 112.6 | T916 M917 I918 A922 N923 | T916-K920 HydrophobicContact CG2-CD 4.4Å; T916-K920 VanDerWaalsContact O-CG 3.29Å; T916-K920 WeakPolarHBondContact O-CG 3.36Å; T916-K920 PolarHBondContact O-N 3.45Å; T916-K920 VanDerWaalsContact O-N 3.1Å; M917-K920 PolarHBondContact O-N 3.37Å; I918-K920 VanDerWaalsContact C-N 3.34Å; I918-K920 PolarHBondContact O-N 2.99Å; K920-A922 VanDerWaalsContact C-N 3.26Å; K920-A922 PolarHBondContact O-N 3.17Å; K920-N923 PolarHBondContact O-N 2.92Å; K920-N923 VanDerWaalsContact O-N 3.11Å |
| 921 | A | 90.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 44 Ų | 44 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -19.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | L891 M917 I918 A919 N923 D924 A933 | L891-A921 HydrophobicContact CD2-CB 4.46Å; M917-A921 PolarHBondContact O-N 3.33Å; I918-A921 WeakPolarHBondContact O-CA 3.37Å; I918-A921 WeakPolarHBondContact O-CB 3.36Å; I918-A921 PolarHBondContact O-N 2.81Å; A919-A921 VanDerWaalsContact C-N 3.33Å; A919-A921 PolarHBondContact O-N 3.26Å; A921-N923 PolarHBondContact O-N 3.1Å; A921-D924 WeakPolarHBondContact O-CB 3.32Å; A921-D924 PolarHBondContact O-N 3.07Å; A921-D924 VanDerWaalsContact O-N 3.13Å; A921-A933 HydrophobicContact CB-CB 3.97Å |
| 922 | A | 91 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I918 A919 K920 A930 A933 L934 L937 C963 | I918-A922 PolarHBondContact O-N 2.88Å; I918-A922 VanDerWaalsContact O-N 3.14Å; A919-A922 WeakPolarHBondContact O-CB 3.4Å; A919-A922 PolarHBondContact O-N 3.46Å; K920-A922 VanDerWaalsContact C-N 3.26Å; K920-A922 PolarHBondContact O-N 3.17Å; A922-A930 WeakPolarHBondContact O-CA 3.47Å; A922-A930 WeakPolarHBondContact O-CB 3.09Å; A922-A933 HydrophobicContact CB-CB 4.25Å; A922-L934 HydrophobicContact CB-CD2 3.68Å; A922-L934 HydrophobicContact CB-CG 3.85Å; A922-L937 HydrophobicContact CB-CD1 4.33Å; A922-C963 PolarHBondContact O-SG 3.05Å; A922-C963 VanDerWaalsContact O-SG 3.34Å |
| 923 | N | 88 | Confident | 90.8 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 21.7 | 175.7 | -72.8 | -87 | 0 | 0 | 0 | 113.5 | K920 A921 P959 | K920-N923 PolarHBondContact O-N 2.92Å; K920-N923 VanDerWaalsContact O-N 3.11Å; A921-N923 PolarHBondContact O-N 3.1Å; N923-P959 PolarHBondContact ND2-O 2.93Å |
| 924 | D | 92.7 | Very high | 91.4 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | trans | -61.1 | 147 | 178 | -158.8 | -62.1 | 0 | 0 | 0 | 112.7 | R887 A921 N926 L929 | R887-D924 IonicContact CZ-OD1 3.22Å; R887-D924 IonicContact CZ-OD2 2.7Å; R887-D924 IonicContact NE-OD2 3.52Å; R887-D924 PolarHBondContact NE-OD2 2.8Å; R887-D924 VanDerWaalsContact NH2-CG 3.31Å; R887-D924 IonicContact NH2-OD1 3.03Å; R887-D924 PolarHBondContact NH2-OD1 3.17Å; R887-D924 IonicContact NH2-OD2 3.65Å; R887-D924 PolarHBondContact NH2-OD2 2.74Å; A921-D924 WeakPolarHBondContact O-CB 3.32Å; A921-D924 PolarHBondContact O-N 3.07Å; A921-D924 VanDerWaalsContact O-N 3.13Å; D924-N926 VanDerWaalsContact C-N 3.26Å; D924-N926 PolarHBondContact O-N 3.1Å; D924-N926 PolarHBondContact OD1-N 3.36Å; D924-L929 HydrophobicContact CB-CB 3.92Å; D924-L929 VanDerWaalsContact OD2-CD1 3.28Å; D924-L929 WeakPolarHBondContact OD2-CD1 3.33Å | ||
| 925 | V | 88 | Confident | 91.7 | Very high | 136 Ų | 136 | 40.1 Ų | 40.1 | 82% | 0.824 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -60.9 | -38.2 | 173 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | K927 | V925-K927 PolarHBondContact O-N 3.14Š|
| 926 | N | 92 | Very high | 91.9 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -76.6 | 102.8 | 170.2 | -176.3 | -10.9 | 0 | 0 | 0 | 109.8 | D924 N928 L929 A930 | D924-N926 VanDerWaalsContact C-N 3.26Å; D924-N926 PolarHBondContact O-N 3.1Å; D924-N926 PolarHBondContact OD1-N 3.36Å; N926-N928 PolarHBondContact O-N 3.23Å; N926-N928 PolarHBondContact OD1-N 3.36Å; N926-L929 HydrophobicContact CB-CB 4.37Å; N926-L929 HydrophobicContact CB-CD1 3.98Å; N926-L929 HydrophobicContact CB-CG 4.06Å; N926-L929 WeakPolarHBondContact O-CB 3.32Å; N926-L929 PolarHBondContact O-N 3.23Å; N926-A930 PolarHBondContact O-N 3.14Å; N926-A930 VanDerWaalsContact O-N 3.13Å |
| 927 | K | 92 | Very high | 92.1 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 27% | 0.27 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -10.7 | -178 | -64.5 | -50.3 | -180 | 174.6 | 0 | 115.7 | V925 A930 K931 D966 K968 I971 | V925-K927 PolarHBondContact O-N 3.14Å; K927-A930 HydrophobicContact CD-CB 4.46Å; K927-K931 PolarHBondContact O-N 3.06Å; K927-D966 WeakPolarHBondContact CD-OD2 3.4Å; K927-D966 WeakPolarHBondContact CE-OD2 3.38Å; K927-D966 IonicContact NZ-OD2 3.57Å; K927-D966 PolarHBondContact NZ-OD2 3.46Å; K927-K968 HydrophobicContact CB-CD 4.18Å; K927-K968 HydrophobicContact CG-CD 4.42Å; K927-I971 HydrophobicContact CB-CD1 3.77Å; K927-I971 HydrophobicContact CD-CD1 3.72Å; K927-I971 HydrophobicContact CG-CD1 4.12Å |
| 928 | N | 89.2 | Confident | 92.3 | Very high | 120 Ų | 120 | 38.9 Ų | 38.9 | 64% | 0.642 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -83.8 | -37.7 | 168.8 | -64.5 | -0.9 | 0 | 0 | 0 | 111.9 | N926 K931 Q932 | N926-N928 PolarHBondContact O-N 3.23Å; N926-N928 PolarHBondContact OD1-N 3.36Å; N928-K931 PolarHBondContact O-N 3.43Å; N928-Q932 PolarHBondContact O-N 3.38Å |
| 929 | L | 92.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 172 | -66.9 | 178.9 | 0 | 0 | 0 | 110.7 | W884 R887 L888 L891 D924 N926 K931 Q932 A933 | W884-L929 HydrophobicContact CB-CD1 4.09Å; R887-L929 HydrophobicContact CB-CD1 3.79Å; R887-L929 HydrophobicContact CB-CD2 4.39Å; L888-L929 VanDerWaalsContact CA-CD2 3.46Å; L888-L929 HydrophobicContact CB-CD2 3.66Å; L888-L929 HydrophobicContact CD1-CD2 3.94Å; L888-L929 HydrophobicContact CG-CD2 4.39Å; L891-L929 HydrophobicContact CD1-CB 4.32Å; L891-L929 HydrophobicContact CD1-CD2 4.01Å; D924-L929 HydrophobicContact CB-CB 3.92Å; D924-L929 VanDerWaalsContact OD2-CD1 3.28Å; D924-L929 WeakPolarHBondContact OD2-CD1 3.33Å; N926-L929 HydrophobicContact CB-CB 4.37Å; N926-L929 HydrophobicContact CB-CD1 3.98Å; N926-L929 HydrophobicContact CB-CG 4.06Å; N926-L929 WeakPolarHBondContact O-CB 3.32Å; N926-L929 PolarHBondContact O-N 3.23Å; L929-K931 VanDerWaalsContact C-N 3.35Å; L929-K931 PolarHBondContact O-N 2.96Å; L929-Q932 PolarHBondContact O-N 3.03Å; L929-Q932 VanDerWaalsContact O-N 3.17Å; L929-A933 WeakPolarHBondContact O-CB 3.33Å; L929-A933 PolarHBondContact O-N 3.32Å |
| 930 | A | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -51.1 | -51.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A922 N926 K927 A933 L934 I971 | A922-A930 WeakPolarHBondContact O-CA 3.47Å; A922-A930 WeakPolarHBondContact O-CB 3.09Å; N926-A930 PolarHBondContact O-N 3.14Å; N926-A930 VanDerWaalsContact O-N 3.13Å; K927-A930 HydrophobicContact CD-CB 4.46Å; A930-A933 PolarHBondContact O-N 2.9Å; A930-L934 WeakPolarHBondContact O-CG 3.26Å; A930-L934 PolarHBondContact O-N 3.09Å; A930-L934 VanDerWaalsContact O-N 3.1Å; A930-I971 HydrophobicContact CB-CD1 4.38Å |
| 931 | K | 94.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 30% | 0.296 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64 | -41.8 | 178.3 | -165.9 | -179.6 | -173.4 | -177.9 | 0 | 112.2 | K927 N928 L929 L934 I935 Q970 A974 | K927-K931 PolarHBondContact O-N 3.06Å; N928-K931 PolarHBondContact O-N 3.43Å; L929-K931 VanDerWaalsContact C-N 3.35Å; L929-K931 PolarHBondContact O-N 2.96Å; K931-L934 PolarHBondContact O-N 2.9Å; K931-I935 HydrophobicContact CG-CD1 4.23Å; K931-I935 WeakPolarHBondContact O-CG1 3.34Å; K931-I935 PolarHBondContact O-N 3.47Å; K931-Q970 WeakPolarHBondContact CE-O 3.35Å; K931-Q970 VanDerWaalsContact NZ-OE1 3.14Å; K931-A974 HydrophobicContact CG-CB 4.18Å |
| 932 | Q | 94.3 | Very high | 91.5 | Very high | 45 Ų | 45 | 35.9 Ų | 35.9 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 179.8 | -161.2 | 63.7 | 10.4 | 0 | 0 | 112 | L891 E895 N928 L929 I935 I936 | L891-Q932 HydrophobicContact CB-CG 4.48Å; L891-Q932 HydrophobicContact CD1-CB 4.33Å; E895-Q932 PolarHBondContact OE1-NE2 3.34Å; E895-Q932 PolarHBondContact OE2-NE2 3.38Å; N928-Q932 PolarHBondContact O-N 3.38Å; L929-Q932 PolarHBondContact O-N 3.03Å; L929-Q932 VanDerWaalsContact O-N 3.17Å; Q932-I935 PolarHBondContact O-N 3.5Å; Q932-I936 HydrophobicContact CG-CD1 4.18Å; Q932-I936 WeakPolarHBondContact O-CD1 3.01Å; Q932-I936 VanDerWaalsContact O-CG1 3.31Å; Q932-I936 WeakPolarHBondContact O-CG1 3.34Å; Q932-I936 PolarHBondContact O-N 2.89Å |
| 933 | A | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L891 I918 A921 A922 L929 A930 I935 I936 L937 | L891-A933 HydrophobicContact CD1-CB 4.24Å; L891-A933 HydrophobicContact CD2-CB 4.28Å; I918-A933 HydrophobicContact CG2-CB 4.27Å; A921-A933 HydrophobicContact CB-CB 3.97Å; A922-A933 HydrophobicContact CB-CB 4.25Å; L929-A933 WeakPolarHBondContact O-CB 3.33Å; L929-A933 PolarHBondContact O-N 3.32Å; A930-A933 PolarHBondContact O-N 2.9Å; A933-I935 VanDerWaalsContact C-N 3.35Å; A933-I935 PolarHBondContact O-N 3.28Å; A933-I936 PolarHBondContact O-N 3.48Å; A933-L937 VanDerWaalsContact O-CG 3.26Å; A933-L937 WeakPolarHBondContact O-CG 3.05Å; A933-L937 PolarHBondContact O-N 2.95Å |
| 934 | L | 96.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.7 | -69.7 | 168.7 | 0 | 0 | 0 | 112.8 | A922 A930 K931 L937 S938 I960 C963 I971 A974 A975 | A922-L934 HydrophobicContact CB-CD2 3.68Å; A922-L934 HydrophobicContact CB-CG 3.85Å; A930-L934 WeakPolarHBondContact O-CG 3.26Å; A930-L934 PolarHBondContact O-N 3.09Å; A930-L934 VanDerWaalsContact O-N 3.1Å; K931-L934 PolarHBondContact O-N 2.9Å; L934-L937 PolarHBondContact O-N 3.24Å; L934-S938 PolarHBondContact O-N 3.44Å; L934-I960 HydrophobicContact CD2-CG1 3.92Å; L934-C963 HydrophobicContact CD1-CB 4.07Å; L934-C963 HydrophobicContact CD2-CB 4.32Å; L934-I971 HydrophobicContact CD1-CG2 3.91Å; L934-A974 HydrophobicContact CB-CB 4.03Å; L934-A974 HydrophobicContact CD1-CB 4Å; L934-A975 HydrophobicContact CD1-CB 4.08Å; L934-A975 HydrophobicContact CD2-CB 4.23Å |
| 935 | I | 94 | Very high | 89.9 | Confident | 73 Ų | 73 | 32.3 Ų | 32.3 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.7 | -68.4 | 164.6 | 0 | 0 | 0 | 110.7 | K931 Q932 A933 L937 S938 S939 | K931-I935 HydrophobicContact CG-CD1 4.23Å; K931-I935 WeakPolarHBondContact O-CG1 3.34Å; K931-I935 PolarHBondContact O-N 3.47Å; Q932-I935 PolarHBondContact O-N 3.5Å; A933-I935 VanDerWaalsContact C-N 3.35Å; A933-I935 PolarHBondContact O-N 3.28Å; I935-L937 VanDerWaalsContact C-N 3.33Å; I935-L937 PolarHBondContact O-N 3.09Å; I935-S938 WeakPolarHBondContact O-CB 3.25Å; I935-S938 PolarHBondContact O-N 3.3Å; I935-S939 PolarHBondContact O-N 3.23Å |
| 936 | I | 93.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -39 | 177.2 | -69 | 161.6 | 0 | 0 | 0 | 111.3 | L891 I894 E895 I918 Q932 A933 S939 F940 | L891-I936 HydrophobicContact CB-CD1 3.82Å; L891-I936 HydrophobicContact CD2-CD1 3.94Å; L891-I936 HydrophobicContact CG-CD1 4.41Å; L891-I936 VanDerWaalsContact O-CD1 3.25Å; L891-I936 WeakPolarHBondContact O-CD1 3.39Å; I894-I936 HydrophobicContact CG2-CG2 3.9Å; E895-I936 HydrophobicContact CB-CD1 4.15Å; E895-I936 HydrophobicContact CB-CG1 4.07Å; E895-I936 HydrophobicContact CG-CG1 4.48Å; I918-I936 HydrophobicContact CD1-CG2 4.36Å; I918-I936 HydrophobicContact CG2-CB 4.35Å; I918-I936 HydrophobicContact CG2-CG2 3.95Å; Q932-I936 HydrophobicContact CG-CD1 4.18Å; Q932-I936 WeakPolarHBondContact O-CD1 3.01Å; Q932-I936 VanDerWaalsContact O-CG1 3.31Å; Q932-I936 WeakPolarHBondContact O-CG1 3.34Å; Q932-I936 PolarHBondContact O-N 2.89Å; A933-I936 PolarHBondContact O-N 3.48Å; I936-S939 PolarHBondContact O-N 3.18Å; I936-F940 HydrophobicContact CG2-CD2 3.84Å; I936-F940 HydrophobicContact CG2-CE2 3.99Å; I936-F940 WeakPolarHBondContact O-CD2 3.22Å; I936-F940 PolarHBondContact O-N 3.29Å |
| 937 | L | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 176 | -65.2 | 167 | 0 | 0 | 0 | 112.8 | L915 I918 A919 A922 A933 L934 I935 F940 A941 V956 I960 W982 | L915-L937 HydrophobicContact CD2-CD2 4.41Å; I918-L937 HydrophobicContact CB-CD2 4.12Å; I918-L937 HydrophobicContact CG2-CD2 3.75Å; I918-L937 HydrophobicContact CG2-CG 3.89Å; A919-L937 HydrophobicContact CB-CD1 4.34Å; A919-L937 HydrophobicContact CB-CD2 4.44Å; A922-L937 HydrophobicContact CB-CD1 4.33Å; A933-L937 VanDerWaalsContact O-CG 3.26Å; A933-L937 WeakPolarHBondContact O-CG 3.05Å; A933-L937 PolarHBondContact O-N 2.95Å; L934-L937 PolarHBondContact O-N 3.24Å; I935-L937 VanDerWaalsContact C-N 3.33Å; I935-L937 PolarHBondContact O-N 3.09Å; L937-F940 PolarHBondContact O-N 3.45Å; L937-A941 PolarHBondContact O-N 3.41Å; L937-A941 VanDerWaalsContact O-N 3.12Å; L937-V956 HydrophobicContact CB-CG1 4.45Å; L937-V956 HydrophobicContact CD1-CG1 4.28Å; L937-V956 HydrophobicContact CD2-CG1 3.83Å; L937-V956 HydrophobicContact CG-CG1 4.39Å; L937-I960 HydrophobicContact CB-CD1 4.46Å; L937-I960 HydrophobicContact CD1-CD1 4.2Å; L937-I960 HydrophobicContact CD1-CG1 4.16Å; L937-W982 PolarHBondContact O-NE1 3.45Å |
| 938 | S | 91.9 | Very high | 87.9 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 172.1 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | L934 I935 A941 S942 S981 | L934-S938 PolarHBondContact O-N 3.44Å; I935-S938 WeakPolarHBondContact O-CB 3.25Å; I935-S938 PolarHBondContact O-N 3.3Å; S938-A941 PolarHBondContact O-N 3.21Å; S938-S942 PolarHBondContact O-N 3.15Å; S938-S942 PolarHBondContact O-OG 2.9Å; S938-S981 PolarHBondContact OG-OG 3Å |
| 939 | S | 88.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 23.1 Ų | 23.1 | 23% | 0.231 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.8 | -162.6 | 0 | 0 | 0 | 0 | 111.8 | V898 I935 I936 S942 S943 | V898-S939 WeakPolarHBondContact CG1-OG 3.25Å; I935-S939 PolarHBondContact O-N 3.23Å; I936-S939 PolarHBondContact O-N 3.18Å; S939-S942 WeakPolarHBondContact O-CB 3.25Å; S939-S942 PolarHBondContact O-N 3.48Å; S939-S943 PolarHBondContact O-N 3.11Å; S939-S943 PolarHBondContact O-OG 3.37Å |
| 940 | F | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.1 | -101.8 | -68.9 | 0 | 0 | 0 | 112.6 | I867 F871 I894 V898 I904 L915 I918 I936 L937 S942 S943 M944 | I867-F940 HydrophobicContact CD1-CE1 4.24Å; I867-F940 HydrophobicContact CD1-CZ 4.43Å; F871-F940 AromaticContact CZ-CZ 3.83Å; F871-F940 HydrophobicContact CZ-CZ 3.83Å; I894-F940 HydrophobicContact CG2-CE2 4.09Å; V898-F940 HydrophobicContact CG2-CD1 4.39Å; V898-F940 HydrophobicContact CG2-CD2 3.89Å; V898-F940 HydrophobicContact CG2-CE1 4.06Å; V898-F940 HydrophobicContact CG2-CE2 3.5Å; V898-F940 HydrophobicContact CG2-CG 4.33Å; V898-F940 HydrophobicContact CG2-CZ 3.61Å; I904-F940 HydrophobicContact CD1-CD1 3.98Å; I904-F940 HydrophobicContact CD1-CE1 3.96Å; L915-F940 HydrophobicContact CD2-CB 4.1Å; L915-F940 HydrophobicContact CD2-CD1 3.83Å; L915-F940 HydrophobicContact CD2-CD2 3.76Å; L915-F940 HydrophobicContact CD2-CE1 4.1Å; L915-F940 HydrophobicContact CD2-CE2 4.05Å; L915-F940 HydrophobicContact CD2-CG 3.64Å; L915-F940 HydrophobicContact CD2-CZ 4.2Å; I918-F940 HydrophobicContact CD1-CD2 4.41Å; I918-F940 HydrophobicContact CD1-CE2 3.68Å; I918-F940 HydrophobicContact CD1-CZ 4.43Å; I936-F940 HydrophobicContact CG2-CD2 3.84Å; I936-F940 HydrophobicContact CG2-CE2 3.99Å; I936-F940 WeakPolarHBondContact O-CD2 3.22Å; I936-F940 PolarHBondContact O-N 3.29Å; L937-F940 PolarHBondContact O-N 3.45Å; F940-S942 VanDerWaalsContact C-N 3.31Å; F940-S942 PolarHBondContact O-N 3.21Å; F940-S943 PolarHBondContact O-N 3.45Å; F940-M944 HydrophobicContact CB-CE 3.88Å; F940-M944 HydrophobicContact CD1-CE 3.9Å; F940-M944 HydrophobicContact CD1-SD 4.5Å; F940-M944 HydrophobicContact CG-CE 4.33Å; F940-M944 WeakPolarHBondContact O-CB 3.39Å; F940-M944 WeakPolarHBondContact O-CE 3.48Å; F940-M944 WeakPolarHBondContact O-CG 3.35Å; F940-M944 PolarHBondContact O-N 3Å |
| 941 | A | 86.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L937 S938 S943 M944 W982 R985 | L937-A941 PolarHBondContact O-N 3.41Å; L937-A941 VanDerWaalsContact O-N 3.12Å; S938-A941 PolarHBondContact O-N 3.21Å; A941-S943 VanDerWaalsContact C-N 3.29Å; A941-S943 PolarHBondContact O-N 2.95Å; A941-M944 PolarHBondContact O-N 3.34Å; A941-W982 HydrophobicContact CB-CB 4.4Å; A941-W982 HydrophobicContact CB-CD2 3.85Å; A941-W982 HydrophobicContact CB-CG 3.77Å; A941-R985 VanDerWaalsContact O-CG 3.31Å; A941-R985 WeakPolarHBondContact O-CG 3.47Å; A941-R985 PolarHBondContact O-NE 2.84Å; A941-R985 VanDerWaalsContact O-NE 3.11Å |
| 942 | S | 82.4 | Confident | 86.4 | Confident | 60 Ų | 60 | 26.9 Ų | 26.9 | 42% | 0.42 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | S938 S939 F940 R985 | S938-S942 PolarHBondContact O-N 3.15Å; S938-S942 PolarHBondContact O-OG 2.9Å; S939-S942 WeakPolarHBondContact O-CB 3.25Å; S939-S942 PolarHBondContact O-N 3.48Å; F940-S942 VanDerWaalsContact C-N 3.31Å; F940-S942 PolarHBondContact O-N 3.21Å; S942-R985 PolarHBondContact O-NH2 3.12Å |
| 943 | S | 81.2 | Confident | 86.1 | Confident | 11 Ų | 11 | 25 Ų | 25 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -91.1 | -7.9 | -178.8 | -69.4 | 0 | 0 | 0 | 0 | 115.7 | S901 L903 I904 S939 F940 A941 | S901-S943 WeakPolarHBondContact O-CB 3.48Å; S901-S943 PolarHBondContact O-OG 3.24Å; L903-S943 CarbonylContact C-O 3.58Å; L903-S943 WeakPolarHBondContact CA-O 3.41Å; I904-S943 PolarHBondContact N-O 2.93Å; S939-S943 PolarHBondContact O-N 3.11Å; S939-S943 PolarHBondContact O-OG 3.37Å; F940-S943 PolarHBondContact O-N 3.45Å; A941-S943 VanDerWaalsContact C-N 3.29Å; A941-S943 PolarHBondContact O-N 2.95Å |
| 944 | M | 81.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -96.1 | 139.4 | 177.8 | -81.6 | -175.6 | -71.1 | 0 | 0 | 112.5 | I904 A906 L915 F940 A941 A949 Y952 W982 R985 | I904-M944 HydrophobicContact CB-CG 4.27Å; I904-M944 HydrophobicContact CG2-CG 4.43Å; A906-M944 HydrophobicContact CB-CG 4.03Å; A906-M944 HydrophobicContact CB-SD 3.57Å; A906-M944 VanDerWaalsContact CB-SD 3.57Å; L915-M944 HydrophobicContact CD1-CE 4.11Å; L915-M944 HydrophobicContact CD1-SD 4.42Å; F940-M944 HydrophobicContact CB-CE 3.88Å; F940-M944 HydrophobicContact CD1-CE 3.9Å; F940-M944 HydrophobicContact CD1-SD 4.5Å; F940-M944 HydrophobicContact CG-CE 4.33Å; F940-M944 WeakPolarHBondContact O-CB 3.39Å; F940-M944 WeakPolarHBondContact O-CE 3.48Å; F940-M944 WeakPolarHBondContact O-CG 3.35Å; F940-M944 PolarHBondContact O-N 3Å; A941-M944 PolarHBondContact O-N 3.34Å; M944-A949 HydrophobicContact CB-CB 4.47Å; M944-Y952 HydrophobicContact SD-CD2 4.31Å; M944-W982 HydrophobicContact CE-CH2 3.36Å; M944-W982 HydrophobicContact CE-CZ2 3.74Å; M944-W982 HydrophobicContact CE-CZ3 4.22Å; M944-R985 PolarHBondContact O-NE 3.21Å |
| 945 | P | 74.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | trans | -59.9 | 147.5 | 170.4 | -23 | 33.7 | 0 | 0 | 0 | 112.3 | K864 L903 I904 S947 D948 A949 | K864-P945 HydrophobicContact CD-CG 3.95Å; K864-P945 HydrophobicContact CG-CG 4.48Å; L903-P945 HydrophobicContact CD2-CG 4.16Å; I904-P945 VanDerWaalsContact O-CD 3.26Å; I904-P945 WeakPolarHBondContact O-CD 3.38Å; P945-S947 VanDerWaalsContact C-N 3.29Å; P945-S947 PolarHBondContact O-N 3.04Å; P945-D948 PolarHBondContact O-N 2.76Å; P945-A949 PolarHBondContact O-N 3.16Å | ||
| 946 | K | 77.4 | Confident | 85.1 | Confident | 84 Ų | 84 | 29.5 Ų | 29.5 | 37% | 0.365 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.6 | -42.8 | -179.8 | -64 | -179.5 | -174 | 146.5 | 0 | 112.5 | D857 D948 V950 R985 | D857-K946 WeakPolarHBondContact OD1-CE 3.22Å; D857-K946 IonicContact OD1-NZ 2.92Å; D857-K946 PolarHBondContact OD1-NZ 3.49Å; K946-D948 PolarHBondContact O-N 3.43Å; K946-V950 WeakPolarHBondContact O-CG2 3.41Å; K946-R985 WeakPolarHBondContact CA-O 3.33Å; K946-R985 VanDerWaalsContact CB-O 3.31Å; K946-R985 WeakPolarHBondContact CB-O 3.09Å; K946-R985 WeakPolarHBondContact CG-O 3.38Å |
| 947 | S | 72.6 | Confident | 85 | Confident | 73 Ų | 73 | 29.5 Ų | 29.5 | 51% | 0.51 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.9 | -35.5 | 177.4 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | P945 N951 | P945-S947 VanDerWaalsContact C-N 3.29Å; P945-S947 PolarHBondContact O-N 3.04Å; S947-N951 PolarHBondContact O-ND2 2.79Å |
| 948 | D | 80.2 | Confident | 84.9 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -93 | -39.1 | -169.3 | -50.9 | -8.4 | 0 | 0 | 0 | 109.6 | K864 A906 P945 K946 V950 N951 Y952 | K864-D948 IonicContact NZ-OD1 3.85Å; K864-D948 PolarHBondContact NZ-OD1 2.87Å; K864-D948 IonicContact NZ-OD2 2.64Å; K864-D948 PolarHBondContact NZ-OD2 3.5Å; A906-D948 HydrophobicContact CB-CB 3.9Å; P945-D948 PolarHBondContact O-N 2.76Å; K946-D948 PolarHBondContact O-N 3.43Å; D948-V950 VanDerWaalsContact C-N 3.27Å; D948-V950 PolarHBondContact O-N 3.23Å; D948-N951 WeakPolarHBondContact O-CB 3.09Å; D948-N951 PolarHBondContact O-N 3.3Å; D948-N951 VanDerWaalsContact O-N 3.07Å; D948-N951 PolarHBondContact O-ND2 3.15Å; D948-N951 VanDerWaalsContact O-ND2 3.12Å; D948-Y952 WeakPolarHBondContact O-CD2 3.13Å |
| 949 | A | 84.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56 | -34.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | M944 P945 N951 Y952 I953 W982 R985 V986 | M944-A949 HydrophobicContact CB-CB 4.47Å; P945-A949 PolarHBondContact O-N 3.16Å; A949-N951 PolarHBondContact O-N 3.35Å; A949-N951 VanDerWaalsContact O-N 3.17Å; A949-Y952 PolarHBondContact O-N 2.73Å; A949-I953 PolarHBondContact O-N 2.67Å; A949-W982 HydrophobicContact CB-CZ3 4.18Å; A949-R985 HydrophobicContact CB-CB 4.1Å; A949-V986 HydrophobicContact CB-CG1 4.05Å |
| 950 | V | 84.1 | Confident | 85.1 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 32% | 0.315 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | K946 D948 Y952 I953 V986 P987 | K946-V950 WeakPolarHBondContact O-CG2 3.41Å; D948-V950 VanDerWaalsContact C-N 3.27Å; D948-V950 PolarHBondContact O-N 3.23Å; V950-Y952 PolarHBondContact O-N 3.25Å; V950-I953 WeakPolarHBondContact O-CG2 3.37Å; V950-V986 HydrophobicContact CB-CG1 4.48Å; V950-V986 HydrophobicContact CG2-CB 3.97Å; V950-V986 HydrophobicContact CG2-CG1 3.9Å; V950-P987 HydrophobicContact CG2-CG 4.4Å |
| 951 | N | 83.8 | Confident | 85.2 | Confident | 89 Ų | 89 | 30 Ų | 30 | 48% | 0.476 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.5 | 179.9 | -58.9 | -72.1 | 0 | 0 | 0 | 113.1 | S947 D948 A949 K954 | S947-N951 PolarHBondContact O-ND2 2.79Å; D948-N951 WeakPolarHBondContact O-CB 3.09Å; D948-N951 PolarHBondContact O-N 3.3Å; D948-N951 VanDerWaalsContact O-N 3.07Å; D948-N951 PolarHBondContact O-ND2 3.15Å; D948-N951 VanDerWaalsContact O-ND2 3.12Å; A949-N951 PolarHBondContact O-N 3.35Å; A949-N951 VanDerWaalsContact O-N 3.17Å; N951-K954 WeakPolarHBondContact O-CE 3.28Å |
| 952 | Y | 88.3 | Confident | 85.5 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -22.2 | -170.6 | -68.2 | -71 | 0 | 0 | 0 | 115.1 | A906 G909 L911 Q912 L915 M944 D948 A949 V950 K954 Y955 | A906-Y952 HydrophobicContact CB-CD2 4.45Å; A906-Y952 HydrophobicContact CB-CE2 3.72Å; A906-Y952 WeakPolarHBondContact O-CE2 3.46Å; A906-Y952 PolarHBondContact O-OH 3.14Å; G909-Y952 VanDerWaalsContact C-OH 3.23Å; G909-Y952 WeakPolarHBondContact CA-OH 3.43Å; G909-Y952 PolarHBondContact O-OH 3.15Å; G909-Y952 VanDerWaalsContact O-OH 3.11Å; L911-Y952 HydrophobicContact CB-CE1 4.33Å; Q912-Y952 HydrophobicContact CB-CE1 3.99Å; L915-Y952 HydrophobicContact CD1-CD1 3.61Å; L915-Y952 HydrophobicContact CD1-CD2 4.42Å; L915-Y952 HydrophobicContact CD1-CE1 4.11Å; L915-Y952 HydrophobicContact CD1-CG 3.78Å; M944-Y952 HydrophobicContact SD-CD2 4.31Å; D948-Y952 WeakPolarHBondContact O-CD2 3.13Å; A949-Y952 PolarHBondContact O-N 2.73Å; V950-Y952 PolarHBondContact O-N 3.25Å; Y952-K954 VanDerWaalsContact C-N 3.31Å; Y952-K954 PolarHBondContact O-N 3.09Å; Y952-Y955 PolarHBondContact O-N 3.33Å |
| 953 | I | 88.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -47.9 | -50.5 | -174.7 | -172.6 | 65.8 | 0 | 0 | 0 | 112.6 | A949 V950 Y955 V956 E957 W982 V986 | A949-I953 PolarHBondContact O-N 2.67Å; V950-I953 WeakPolarHBondContact O-CG2 3.37Å; I953-Y955 PolarHBondContact O-N 3.49Å; I953-V956 PolarHBondContact O-N 3.12Å; I953-E957 HydrophobicContact CD1-CB 4.1Å; I953-E957 HydrophobicContact CG1-CB 4.21Å; I953-E957 WeakPolarHBondContact O-CB 3.37Å; I953-E957 PolarHBondContact O-N 3.49Å; I953-W982 HydrophobicContact CD1-CB 3.79Å; I953-W982 HydrophobicContact CD1-CD2 4.33Å; I953-W982 HydrophobicContact CD1-CE3 4.02Å; I953-W982 HydrophobicContact CD1-CG 4.27Å; I953-V986 HydrophobicContact CB-CG1 4.47Å; I953-V986 HydrophobicContact CG1-CG2 4.47Å |
| 954 | K | 86.3 | Confident | 86.7 | Confident | 92 Ų | 92 | 30.5 Ų | 30.5 | 40% | 0.4 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.9 | -18.4 | 179.4 | 66 | -168.2 | 174.6 | -168.3 | 0 | 116.3 | N951 Y952 | N951-K954 WeakPolarHBondContact O-CE 3.28Å; Y952-K954 VanDerWaalsContact C-N 3.31Å; Y952-K954 PolarHBondContact O-N 3.09Å |
| 955 | Y | 88 | Confident | 87.2 | Confident | 78 Ų | 78 | 31 Ų | 31 | 31% | 0.306 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -96.7 | -18 | 176.1 | -56.6 | -67.5 | 0 | 0 | 0 | 113.2 | Q912 Y952 I953 | Q912-Y955 HydrophobicContact CG-CD2 3.96Å; Q912-Y955 HydrophobicContact CG-CE1 4.43Å; Q912-Y955 HydrophobicContact CG-CE2 3.81Å; Q912-Y955 HydrophobicContact CG-CG 4.35Å; Q912-Y955 VanDerWaalsContact NE2-CZ 3.35Å; Q912-Y955 PolarHBondContact NE2-OH 2.65Å; Y952-Y955 PolarHBondContact O-N 3.33Å; I953-Y955 PolarHBondContact O-N 3.49Å |
| 956 | V | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -111.6 | -36 | -169.2 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | L915 L937 I953 P959 I960 W982 | L915-V956 HydrophobicContact CB-CG2 4.13Å; L937-V956 HydrophobicContact CB-CG1 4.45Å; L937-V956 HydrophobicContact CD1-CG1 4.28Å; L937-V956 HydrophobicContact CD2-CG1 3.83Å; L937-V956 HydrophobicContact CG-CG1 4.39Å; I953-V956 PolarHBondContact O-N 3.12Å; V956-P959 WeakPolarHBondContact O-CD 3.38Å; V956-I960 HydrophobicContact CG1-CD1 3.64Å; V956-I960 HydrophobicContact CG1-CG1 4.5Å; V956-I960 WeakPolarHBondContact O-CG1 3.38Å; V956-I960 PolarHBondContact O-N 3.37Å; V956-W982 HydrophobicContact CB-CZ2 4.2Å; V956-W982 HydrophobicContact CG1-CD2 4.36Å; V956-W982 HydrophobicContact CG1-CZ2 3.88Å; V956-W982 HydrophobicContact CG2-CH2 4.21Å; V956-W982 HydrophobicContact CG2-CZ2 3.98Å |
| 957 | E | 91.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 178.6 | 167.3 | -178.1 | -157.9 | 0 | 0 | 113.6 | I953 I960 L961 L979 V991 | I953-E957 HydrophobicContact CD1-CB 4.1Å; I953-E957 HydrophobicContact CG1-CB 4.21Å; I953-E957 WeakPolarHBondContact O-CB 3.37Å; I953-E957 PolarHBondContact O-N 3.49Å; E957-I960 WeakPolarHBondContact O-CA 3.28Å; E957-I960 WeakPolarHBondContact O-CB 3.22Å; E957-I960 PolarHBondContact O-N 3.12Å; E957-L961 HydrophobicContact CG-CD1 3.66Å; E957-L961 HydrophobicContact CG-CG 3.95Å; E957-L961 PolarHBondContact O-N 3.33Å; E957-L979 HydrophobicContact CG-CD1 4.29Å; E957-V991 VanDerWaalsContact OE1-CG1 3.26Å; E957-V991 WeakPolarHBondContact OE1-CG1 3.35Å |
| 958 | P | 91.2 | Very high | 89.6 | Confident | 37 Ų | 37 | 33.5 Ų | 33.5 | 24% | 0.24 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | -171.7 | -19.1 | 30.5 | 0 | 0 | 0 | 113.5 | I960 L961 L962 M996 | P958-I960 VanDerWaalsContact C-N 3.33Å; P958-I960 PolarHBondContact O-N 3.26Å; P958-L961 PolarHBondContact O-N 2.8Å; P958-L962 WeakPolarHBondContact O-CG 3.45Å; P958-L962 PolarHBondContact O-N 3Å; P958-M996 HydrophobicContact CB-SD 4.16Å; P958-M996 HydrophobicContact CG-CG 4.19Å; P958-M996 HydrophobicContact CG-SD 3.72Å |
| 959 | P | 90.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -30.2 | 171.3 | -25.8 | 37.6 | 0 | 0 | 0 | 114.7 | A919 N923 V956 C963 | A919-P959 HydrophobicContact CB-CB 4.09Å; A919-P959 HydrophobicContact CB-CG 3.89Å; A919-P959 WeakPolarHBondContact O-CB 3.32Å; N923-P959 PolarHBondContact ND2-O 2.93Å; V956-P959 WeakPolarHBondContact O-CD 3.38Å; P959-C963 PolarHBondContact O-N 3.12Å; P959-C963 PolarHBondContact O-SG 3.17Å |
| 960 | I | 94.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -43.4 | 174.9 | -67.4 | 171.7 | 0 | 0 | 0 | 110.7 | L934 L937 V956 E957 P958 L962 C963 L964 A975 A978 L979 | L934-I960 HydrophobicContact CD2-CG1 3.92Å; L937-I960 HydrophobicContact CB-CD1 4.46Å; L937-I960 HydrophobicContact CD1-CD1 4.2Å; L937-I960 HydrophobicContact CD1-CG1 4.16Å; V956-I960 HydrophobicContact CG1-CD1 3.64Å; V956-I960 HydrophobicContact CG1-CG1 4.5Å; V956-I960 WeakPolarHBondContact O-CG1 3.38Å; V956-I960 PolarHBondContact O-N 3.37Å; E957-I960 WeakPolarHBondContact O-CA 3.28Å; E957-I960 WeakPolarHBondContact O-CB 3.22Å; E957-I960 PolarHBondContact O-N 3.12Å; P958-I960 VanDerWaalsContact C-N 3.33Å; P958-I960 PolarHBondContact O-N 3.26Å; I960-L962 VanDerWaalsContact C-N 3.29Å; I960-L962 PolarHBondContact O-N 3.43Å; I960-C963 WeakPolarHBondContact O-CA 3.32Å; I960-C963 VanDerWaalsContact O-CB 3.32Å; I960-C963 WeakPolarHBondContact O-CB 3.48Å; I960-C963 PolarHBondContact O-N 3.23Å; I960-L964 PolarHBondContact O-N 3.45Å; I960-A975 HydrophobicContact CG2-CB 4.13Å; I960-A975 WeakPolarHBondContact CG2-O 3.48Å; I960-A978 HydrophobicContact CD1-CB 3.91Å; I960-A978 HydrophobicContact CG2-CB 4.45Å; I960-L979 HydrophobicContact CG2-CB 3.89Å; I960-L979 HydrophobicContact CG2-CD1 4.27Å |
| 961 | L | 93.1 | Very high | 91 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -40.4 | 177.2 | -68.5 | 175.2 | 0 | 0 | 0 | 111.8 | E957 P958 C963 L964 L979 M996 L997 A1000 L1012 | E957-L961 HydrophobicContact CG-CD1 3.66Å; E957-L961 HydrophobicContact CG-CG 3.95Å; E957-L961 PolarHBondContact O-N 3.33Å; P958-L961 PolarHBondContact O-N 2.8Å; L961-C963 VanDerWaalsContact C-N 3.26Å; L961-C963 PolarHBondContact O-N 2.84Å; L961-L964 HydrophobicContact CD2-CD1 4.05Å; L961-L964 WeakPolarHBondContact O-CB 3.34Å; L961-L964 PolarHBondContact O-N 3.44Å; L961-L979 HydrophobicContact CD2-CD1 4.24Å; L961-L979 HydrophobicContact CD2-CD2 3.79Å; L961-M996 HydrophobicContact CD1-CB 3.95Å; L961-L997 HydrophobicContact CD1-CD2 4.18Å; L961-L997 HydrophobicContact CD2-CD2 3.94Å; L961-A1000 HydrophobicContact CB-CB 4.18Å; L961-A1000 HydrophobicContact CD1-CB 4.13Å; L961-L1012 HydrophobicContact CD2-CD1 3.68Å; L961-L1012 HydrophobicContact CD2-CD2 4.26Å |
| 962 | L | 91.4 | Very high | 91.5 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 42% | 0.419 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.4 | -32.5 | 173.3 | -68.8 | 173.8 | 0 | 0 | 0 | 113.1 | P958 I960 L964 G965 M1003 | P958-L962 WeakPolarHBondContact O-CG 3.45Å; P958-L962 PolarHBondContact O-N 3Å; I960-L962 VanDerWaalsContact C-N 3.29Å; I960-L962 PolarHBondContact O-N 3.43Å; L962-L964 VanDerWaalsContact C-N 3.29Å; L962-L964 PolarHBondContact O-N 3.22Å; L962-G965 PolarHBondContact O-N 2.88Å; L962-M1003 HydrophobicContact CD2-CE 3.88Å; L962-M1003 HydrophobicContact CD2-SD 3.59Å; L962-M1003 VanDerWaalsContact CD2-SD 3.59Å |
| 963 | C | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.5 | -21.5 | 179 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | A922 L934 P959 I960 L961 G965 D966 I971 A975 | A922-C963 PolarHBondContact O-SG 3.05Å; A922-C963 VanDerWaalsContact O-SG 3.34Å; L934-C963 HydrophobicContact CD1-CB 4.07Å; L934-C963 HydrophobicContact CD2-CB 4.32Å; P959-C963 PolarHBondContact O-N 3.12Å; P959-C963 PolarHBondContact O-SG 3.17Å; I960-C963 WeakPolarHBondContact O-CA 3.32Å; I960-C963 VanDerWaalsContact O-CB 3.32Å; I960-C963 WeakPolarHBondContact O-CB 3.48Å; I960-C963 PolarHBondContact O-N 3.23Å; L961-C963 VanDerWaalsContact C-N 3.26Å; L961-C963 PolarHBondContact O-N 2.84Å; C963-G965 PolarHBondContact O-N 2.68Å; C963-D966 PolarHBondContact O-N 2.92Å; C963-D966 VanDerWaalsContact O-N 3.14Å; C963-I971 HydrophobicContact CB-CG2 4.19Å; C963-A975 HydrophobicContact CB-CB 3.66Å |
| 964 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.1 | 167.2 | -56.2 | 175.1 | 0 | 0 | 0 | 112 | I960 L961 L962 R972 A975 V976 L979 F1007 L1008 E1011 L1012 | I960-L964 PolarHBondContact O-N 3.45Å; L961-L964 HydrophobicContact CD2-CD1 4.05Å; L961-L964 WeakPolarHBondContact O-CB 3.34Å; L961-L964 PolarHBondContact O-N 3.44Å; L962-L964 VanDerWaalsContact C-N 3.29Å; L962-L964 PolarHBondContact O-N 3.22Å; L964-R972 WeakPolarHBondContact O-CD 3.43Å; L964-A975 HydrophobicContact CD2-CB 3.82Å; L964-A975 HydrophobicContact CG-CB 4.39Å; L964-V976 HydrophobicContact CD2-CB 4.46Å; L964-V976 HydrophobicContact CD2-CG2 3.48Å; L964-V976 VanDerWaalsContact CD2-CG2 3.48Å; L964-L979 HydrophobicContact CD1-CD2 4.27Å; L964-F1007 CarbonylContact O-C 3.56Å; L964-L1008 HydrophobicContact CB-CG 4.27Å; L964-L1008 WeakPolarHBondContact O-CA 3.26Å; L964-L1008 PolarHBondContact O-N 3.35Å; L964-E1011 HydrophobicContact CD2-CB 4.33Å; L964-L1012 HydrophobicContact CD1-CB 3.99Å; L964-L1012 HydrophobicContact CD1-CD1 3.87Å; L964-L1012 HydrophobicContact CD1-CG 4.42Å |
| 965 | G | 91.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L962 C963 N1005 | L962-G965 PolarHBondContact O-N 2.88Å; C963-G965 PolarHBondContact O-N 2.68Å; G965-N1005 WeakPolarHBondContact CA-ND2 3.09Å; G965-N1005 PolarHBondContact O-ND2 3.49Å |
| 966 | D | 94.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | trans | -73.2 | 137 | -172.2 | -158.6 | -61.8 | 0 | 0 | 0 | 113.2 | K927 C963 K968 I971 R972 | K927-D966 WeakPolarHBondContact CD-OD2 3.4Å; K927-D966 WeakPolarHBondContact CE-OD2 3.38Å; K927-D966 IonicContact NZ-OD2 3.57Å; K927-D966 PolarHBondContact NZ-OD2 3.46Å; C963-D966 PolarHBondContact O-N 2.92Å; C963-D966 VanDerWaalsContact O-N 3.14Å; D966-K968 PolarHBondContact O-N 2.89Å; D966-K968 VanDerWaalsContact O-N 3.09Å; D966-K968 PolarHBondContact OD1-N 3.35Å; D966-I971 HydrophobicContact CB-CB 4.09Å; D966-I971 HydrophobicContact CB-CG2 3.84Å; D966-R972 VanDerWaalsContact O-CD 3.24Å; D966-R972 WeakPolarHBondContact O-CD 3.48Å; D966-R972 WeakPolarHBondContact O-CG 3.34Å; D966-R972 PolarHBondContact O-NH1 2.99Å | ||
| 967 | S | 89.5 | Confident | 93.1 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 63% | 0.629 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -44.1 | -34.6 | 167.4 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 968 | K | 91 | Very high | 93.3 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 46% | 0.457 | 21% | 0.213 | S | C | . | . | trans | -92.1 | 114.9 | -175 | -66.6 | -176.7 | 178 | -175.2 | 0 | 111.1 | K927 D966 Q970 I971 R972 | K927-K968 HydrophobicContact CB-CD 4.18Å; K927-K968 HydrophobicContact CG-CD 4.42Å; D966-K968 PolarHBondContact O-N 2.89Å; D966-K968 VanDerWaalsContact O-N 3.09Å; D966-K968 PolarHBondContact OD1-N 3.35Å; K968-Q970 PolarHBondContact O-N 3.05Å; K968-Q970 VanDerWaalsContact O-N 3.15Å; K968-I971 HydrophobicContact CB-CD1 4.22Å; K968-I971 HydrophobicContact CB-CG1 4.27Å; K968-I971 HydrophobicContact CD-CD1 4.25Å; K968-I971 PolarHBondContact O-N 2.88Å; K968-R972 PolarHBondContact O-N 3.29Å | ||
| 969 | V | 91.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 37 Ų | 37 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -47 | -46.2 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | I971 R972 E973 | V969-I971 PolarHBondContact O-N 3.3Å; V969-R972 CarbonylContact O-C 3.55Å; V969-R972 WeakPolarHBondContact O-CA 3.47Å; V969-R972 PolarHBondContact O-N 2.92Å; V969-E973 HydrophobicContact CG1-CG 4.07Å; V969-E973 WeakPolarHBondContact O-CG 3.45Å; V969-E973 PolarHBondContact O-N 3.42Å |
| 970 | Q | 91 | Very high | 93.6 | Very high | 117 Ų | 117 | 37.8 Ų | 37.8 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -15.8 | 179.5 | -65.8 | -168.4 | 6.2 | 0 | 0 | 116.7 | K931 K968 E973 | K931-Q970 WeakPolarHBondContact CE-O 3.35Å; K931-Q970 VanDerWaalsContact NZ-OE1 3.14Å; K968-Q970 PolarHBondContact O-N 3.05Å; K968-Q970 VanDerWaalsContact O-N 3.15Å; Q970-E973 WeakPolarHBondContact CA-OE2 3.37Å |
| 971 | I | 94.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -90.5 | -39.3 | 173.1 | -67.4 | 179.1 | 0 | 0 | 0 | 109.5 | K927 A930 L934 C963 D966 K968 V969 A974 A975 | K927-I971 HydrophobicContact CB-CD1 3.77Å; K927-I971 HydrophobicContact CD-CD1 3.72Å; K927-I971 HydrophobicContact CG-CD1 4.12Å; A930-I971 HydrophobicContact CB-CD1 4.38Å; L934-I971 HydrophobicContact CD1-CG2 3.91Å; C963-I971 HydrophobicContact CB-CG2 4.19Å; D966-I971 HydrophobicContact CB-CB 4.09Å; D966-I971 HydrophobicContact CB-CG2 3.84Å; K968-I971 HydrophobicContact CB-CD1 4.22Å; K968-I971 HydrophobicContact CB-CG1 4.27Å; K968-I971 HydrophobicContact CD-CD1 4.25Å; K968-I971 PolarHBondContact O-N 2.88Å; V969-I971 PolarHBondContact O-N 3.3Å; I971-A974 PolarHBondContact O-N 3.35Å; I971-A975 WeakPolarHBondContact O-CB 3.46Å; I971-A975 PolarHBondContact O-N 3.04Å |
| 972 | R | 94.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.7 | -53.9 | -160.9 | -53.9 | -93 | 4.7 | 111.6 | L964 D966 K968 V969 A974 A975 V976 E1011 | L964-R972 WeakPolarHBondContact O-CD 3.43Å; D966-R972 VanDerWaalsContact O-CD 3.24Å; D966-R972 WeakPolarHBondContact O-CD 3.48Å; D966-R972 WeakPolarHBondContact O-CG 3.34Å; D966-R972 PolarHBondContact O-NH1 2.99Å; K968-R972 PolarHBondContact O-N 3.29Å; V969-R972 CarbonylContact O-C 3.55Å; V969-R972 WeakPolarHBondContact O-CA 3.47Å; V969-R972 PolarHBondContact O-N 2.92Å; R972-A974 VanDerWaalsContact C-N 3.31Å; R972-A974 PolarHBondContact O-N 2.98Å; R972-A975 PolarHBondContact O-N 3.38Å; R972-A975 VanDerWaalsContact O-N 3.11Å; R972-V976 WeakPolarHBondContact O-CB 3.46Å; R972-V976 WeakPolarHBondContact O-CG2 3.32Å; R972-V976 PolarHBondContact O-N 3.21Å; R972-E1011 HydrophobicContact CB-CG 4.28Å; R972-E1011 IonicContact CZ-OE1 3.28Å; R972-E1011 VanDerWaalsContact CZ-OE1 3.23Å; R972-E1011 IonicContact NE-OE1 2.66Å; R972-E1011 PolarHBondContact NE-OE1 3.29Å; R972-E1011 IonicContact NH2-OE1 3.36Å; R972-E1011 PolarHBondContact NH2-OE1 2.94Å |
| 973 | E | 94.7 | Very high | 93.2 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.9 | -46.4 | 171.1 | -70.9 | 168.3 | 163.6 | 0 | 0 | 111.3 | V969 Q970 T977 | V969-E973 HydrophobicContact CG1-CG 4.07Å; V969-E973 WeakPolarHBondContact O-CG 3.45Å; V969-E973 PolarHBondContact O-N 3.42Å; Q970-E973 WeakPolarHBondContact CA-OE2 3.37Å; E973-T977 WeakPolarHBondContact O-CB 3.24Å; E973-T977 PolarHBondContact O-N 3.45Å; E973-T977 PolarHBondContact O-OG1 3.38Å |
| 974 | A | 94.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -34.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K931 L934 I971 R972 A978 | K931-A974 HydrophobicContact CG-CB 4.18Å; L934-A974 HydrophobicContact CB-CB 4.03Å; L934-A974 HydrophobicContact CD1-CB 4Å; I971-A974 PolarHBondContact O-N 3.35Å; R972-A974 VanDerWaalsContact C-N 3.31Å; R972-A974 PolarHBondContact O-N 2.98Å; A974-A978 WeakPolarHBondContact O-CB 3.49Å; A974-A978 PolarHBondContact O-N 3.48Å |
| 975 | A | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.1 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L934 I960 C963 L964 I971 R972 T977 A978 L979 | L934-A975 HydrophobicContact CD1-CB 4.08Å; L934-A975 HydrophobicContact CD2-CB 4.23Å; I960-A975 HydrophobicContact CG2-CB 4.13Å; I960-A975 WeakPolarHBondContact CG2-O 3.48Å; C963-A975 HydrophobicContact CB-CB 3.66Å; L964-A975 HydrophobicContact CD2-CB 3.82Å; L964-A975 HydrophobicContact CG-CB 4.39Å; I971-A975 WeakPolarHBondContact O-CB 3.46Å; I971-A975 PolarHBondContact O-N 3.04Å; R972-A975 PolarHBondContact O-N 3.38Å; R972-A975 VanDerWaalsContact O-N 3.11Å; A975-T977 VanDerWaalsContact C-N 3.32Å; A975-T977 PolarHBondContact O-N 2.74Å; A975-A978 PolarHBondContact O-N 3.13Å; A975-L979 VanDerWaalsContact O-CB 3.29Å; A975-L979 WeakPolarHBondContact O-CB 3.32Å; A975-L979 PolarHBondContact O-N 2.83Å |
| 976 | V | 95.7 | Very high | 91.9 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 170 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L964 R972 L979 S980 E1011 | L964-V976 HydrophobicContact CD2-CB 4.46Å; L964-V976 HydrophobicContact CD2-CG2 3.48Å; L964-V976 VanDerWaalsContact CD2-CG2 3.48Å; R972-V976 WeakPolarHBondContact O-CB 3.46Å; R972-V976 WeakPolarHBondContact O-CG2 3.32Å; R972-V976 PolarHBondContact O-N 3.21Å; V976-L979 PolarHBondContact O-N 3.19Å; V976-S980 WeakPolarHBondContact O-CB 3.43Å; V976-S980 PolarHBondContact O-N 3.19Å; V976-S980 PolarHBondContact O-OG 3.01Å; V976-E1011 HydrophobicContact CG2-CB 4.42Å |
| 977 | T | 94.6 | Very high | 91.3 | Very high | 78 Ų | 78 | 45 Ų | 45 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.3 | E973 A975 S981 | E973-T977 WeakPolarHBondContact O-CB 3.24Å; E973-T977 PolarHBondContact O-N 3.45Å; E973-T977 PolarHBondContact O-OG1 3.38Å; A975-T977 VanDerWaalsContact C-N 3.32Å; A975-T977 PolarHBondContact O-N 2.74Å; T977-S981 WeakPolarHBondContact O-CB 3.46Å; T977-S981 PolarHBondContact O-N 3.17Å; T977-S981 PolarHBondContact O-OG 3.48Å |
| 978 | A | 95 | Very high | 91 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I960 A974 A975 S980 S981 W982 | I960-A978 HydrophobicContact CD1-CB 3.91Å; I960-A978 HydrophobicContact CG2-CB 4.45Å; A974-A978 WeakPolarHBondContact O-CB 3.49Å; A974-A978 PolarHBondContact O-N 3.48Å; A975-A978 PolarHBondContact O-N 3.13Å; A978-S980 PolarHBondContact O-N 3.32Å; A978-S981 WeakPolarHBondContact O-CB 3.31Å; A978-S981 PolarHBondContact O-N 3.33Å; A978-W982 VanDerWaalsContact O-CD1 3.29Å; A978-W982 PolarHBondContact O-N 3.22Å |
| 979 | L | 94 | Very high | 90.5 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 179.1 | -167.5 | 65.3 | 0 | 0 | 0 | 111.6 | E957 I960 L961 L964 A975 V976 W982 Q983 L1012 W1015 | E957-L979 HydrophobicContact CG-CD1 4.29Å; I960-L979 HydrophobicContact CG2-CB 3.89Å; I960-L979 HydrophobicContact CG2-CD1 4.27Å; L961-L979 HydrophobicContact CD2-CD1 4.24Å; L961-L979 HydrophobicContact CD2-CD2 3.79Å; L964-L979 HydrophobicContact CD1-CD2 4.27Å; A975-L979 VanDerWaalsContact O-CB 3.29Å; A975-L979 WeakPolarHBondContact O-CB 3.32Å; A975-L979 PolarHBondContact O-N 2.83Å; V976-L979 PolarHBondContact O-N 3.19Å; L979-W982 PolarHBondContact O-N 3.42Å; L979-Q983 WeakPolarHBondContact O-CB 3.3Å; L979-Q983 PolarHBondContact O-N 2.87Å; L979-L1012 HydrophobicContact CD2-CD1 4.4Å; L979-W1015 HydrophobicContact CB-CZ2 4.46Å; L979-W1015 HydrophobicContact CD2-CD2 3.62Å; L979-W1015 HydrophobicContact CD2-CE3 3.75Å; L979-W1015 HydrophobicContact CD2-CG 4.23Å; L979-W1015 HydrophobicContact CD2-CH2 4Å; L979-W1015 HydrophobicContact CD2-CZ2 3.88Å; L979-W1015 HydrophobicContact CD2-CZ3 3.94Å; L979-W1015 HydrophobicContact CG-CD2 4.24Å; L979-W1015 HydrophobicContact CG-CH2 3.95Å; L979-W1015 HydrophobicContact CG-CZ2 3.6Å; L979-W1015 HydrophobicContact CG-CZ3 4.4Å |
| 980 | S | 93.8 | Very high | 90 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 174.8 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | V976 A978 W982 Q983 S984 W1015 | V976-S980 WeakPolarHBondContact O-CB 3.43Å; V976-S980 PolarHBondContact O-N 3.19Å; V976-S980 PolarHBondContact O-OG 3.01Å; A978-S980 PolarHBondContact O-N 3.32Å; S980-W982 VanDerWaalsContact C-N 3.33Å; S980-W982 PolarHBondContact O-N 2.83Å; S980-Q983 PolarHBondContact O-N 2.71Å; S980-S984 WeakPolarHBondContact O-CB 3.16Å; S980-S984 PolarHBondContact O-N 3.19Å; S980-W1015 PolarHBondContact OG-NE1 2.84Å |
| 981 | S | 90.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | S938 T977 A978 S984 | S938-S981 PolarHBondContact OG-OG 3Å; T977-S981 WeakPolarHBondContact O-CB 3.46Å; T977-S981 PolarHBondContact O-N 3.17Å; T977-S981 PolarHBondContact O-OG 3.48Å; A978-S981 WeakPolarHBondContact O-CB 3.31Å; A978-S981 PolarHBondContact O-N 3.33Å; S981-S984 PolarHBondContact O-OG 2.89Å |
| 982 | W | 92.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -46.8 | 176.7 | -85 | 94 | 0 | 0 | 0 | 112.6 | L937 A941 M944 A949 I953 V956 A978 L979 S980 S984 R985 V986 | L937-W982 PolarHBondContact O-NE1 3.45Å; A941-W982 HydrophobicContact CB-CB 4.4Å; A941-W982 HydrophobicContact CB-CD2 3.85Å; A941-W982 HydrophobicContact CB-CG 3.77Å; M944-W982 HydrophobicContact CE-CH2 3.36Å; M944-W982 HydrophobicContact CE-CZ2 3.74Å; M944-W982 HydrophobicContact CE-CZ3 4.22Å; A949-W982 HydrophobicContact CB-CZ3 4.18Å; I953-W982 HydrophobicContact CD1-CB 3.79Å; I953-W982 HydrophobicContact CD1-CD2 4.33Å; I953-W982 HydrophobicContact CD1-CE3 4.02Å; I953-W982 HydrophobicContact CD1-CG 4.27Å; V956-W982 HydrophobicContact CB-CZ2 4.2Å; V956-W982 HydrophobicContact CG1-CD2 4.36Å; V956-W982 HydrophobicContact CG1-CZ2 3.88Å; V956-W982 HydrophobicContact CG2-CH2 4.21Å; V956-W982 HydrophobicContact CG2-CZ2 3.98Å; A978-W982 VanDerWaalsContact O-CD1 3.29Å; A978-W982 PolarHBondContact O-N 3.22Å; L979-W982 PolarHBondContact O-N 3.42Å; S980-W982 VanDerWaalsContact C-N 3.33Å; S980-W982 PolarHBondContact O-N 2.83Å; W982-S984 VanDerWaalsContact C-N 3.29Å; W982-S984 PolarHBondContact O-N 2.82Å; W982-R985 WeakPolarHBondContact O-CB 3.16Å; W982-R985 PolarHBondContact O-N 3.12Å; W982-V986 PolarHBondContact O-N 3.34Å |
| 983 | Q | 88.8 | Confident | 87.9 | Confident | 44 Ų | 44 | 36.7 Ų | 36.7 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -33.8 | 177.7 | 178.9 | -80.8 | -36.7 | 0 | 0 | 112.7 | L979 S980 R985 V986 I988 V991 W1015 V1019 | L979-Q983 WeakPolarHBondContact O-CB 3.3Å; L979-Q983 PolarHBondContact O-N 2.87Å; S980-Q983 PolarHBondContact O-N 2.71Å; Q983-R985 PolarHBondContact O-N 3.02Å; Q983-R985 VanDerWaalsContact O-N 3.16Å; Q983-V986 PolarHBondContact O-N 2.68Å; Q983-V986 VanDerWaalsContact O-O 3.09Å; Q983-I988 HydrophobicContact CG-CD1 4.04Å; Q983-V991 HydrophobicContact CG-CG2 4.49Å; Q983-W1015 HydrophobicContact CB-CH2 4.15Å; Q983-W1015 HydrophobicContact CB-CZ2 3.63Å; Q983-W1015 HydrophobicContact CG-CH2 4.08Å; Q983-W1015 HydrophobicContact CG-CZ2 3.82Å; Q983-V1019 HydrophobicContact CG-CG1 4.11Å; Q983-V1019 HydrophobicContact CG-CG2 4.34Å |
| 984 | S | 85.4 | Confident | 86.7 | Confident | 77 Ų | 77 | 34.6 Ų | 34.6 | 54% | 0.538 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.5 | 175.5 | 78.9 | 0 | 0 | 0 | 0 | 114 | S980 S981 W982 | S980-S984 WeakPolarHBondContact O-CB 3.16Å; S980-S984 PolarHBondContact O-N 3.19Å; S981-S984 PolarHBondContact O-OG 2.89Å; W982-S984 VanDerWaalsContact C-N 3.29Å; W982-S984 PolarHBondContact O-N 2.82Å |
| 985 | R | 82.4 | Confident | 85.9 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -22.4 | -178.4 | -66.3 | -54.8 | -148.7 | 167.1 | 10.1 | 114.6 | D859 A941 S942 M944 K946 A949 W982 Q983 | D859-R985 IonicContact OD2-CZ 3.74Å; D859-R985 VanDerWaalsContact OD2-CZ 3.23Å; D859-R985 IonicContact OD2-NH1 2.61Å; D859-R985 PolarHBondContact OD2-NH1 3.06Å; D859-R985 IonicContact OD2-NH2 2.75Å; D859-R985 PolarHBondContact OD2-NH2 2.87Å; A941-R985 VanDerWaalsContact O-CG 3.31Å; A941-R985 WeakPolarHBondContact O-CG 3.47Å; A941-R985 PolarHBondContact O-NE 2.84Å; A941-R985 VanDerWaalsContact O-NE 3.11Å; S942-R985 PolarHBondContact O-NH2 3.12Å; M944-R985 PolarHBondContact O-NE 3.21Å; K946-R985 WeakPolarHBondContact CA-O 3.33Å; K946-R985 VanDerWaalsContact CB-O 3.31Å; K946-R985 WeakPolarHBondContact CB-O 3.09Å; K946-R985 WeakPolarHBondContact CG-O 3.38Å; A949-R985 HydrophobicContact CB-CB 4.1Å; W982-R985 WeakPolarHBondContact O-CB 3.16Å; W982-R985 PolarHBondContact O-N 3.12Å; Q983-R985 PolarHBondContact O-N 3.02Å; Q983-R985 VanDerWaalsContact O-N 3.16Å |
| 986 | V | 85.4 | Confident | 85.3 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -112.1 | 149.2 | -175.2 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | A949 V950 I953 W982 Q983 I988 S990 V991 | A949-V986 HydrophobicContact CB-CG1 4.05Å; V950-V986 HydrophobicContact CB-CG1 4.48Å; V950-V986 HydrophobicContact CG2-CB 3.97Å; V950-V986 HydrophobicContact CG2-CG1 3.9Å; I953-V986 HydrophobicContact CB-CG1 4.47Å; I953-V986 HydrophobicContact CG1-CG2 4.47Å; W982-V986 PolarHBondContact O-N 3.34Å; Q983-V986 PolarHBondContact O-N 2.68Å; Q983-V986 VanDerWaalsContact O-O 3.09Å; V986-I988 PolarHBondContact O-N 2.68Å; V986-S990 WeakPolarHBondContact CG2-OG 3.37Å; V986-V991 HydrophobicContact CG2-CG2 3.93Å |
| 987 | P | 81 | Confident | 84.9 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | trans | -58.8 | 132.4 | 171.8 | -22.2 | 34.3 | 0 | 0 | 0 | 110.1 | V950 L989 S990 | V950-P987 HydrophobicContact CG2-CG 4.4Å; P987-L989 PolarHBondContact O-N 3.12Å; P987-S990 WeakPolarHBondContact O-CB 3.46Å; P987-S990 PolarHBondContact O-N 2.57Å; P987-S990 PolarHBondContact O-OG 2.68Å | ||
| 988 | I | 82.8 | Confident | 84.6 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -29.4 | -171.8 | -174.8 | 57.2 | 0 | 0 | 0 | 114.1 | Q983 V986 S990 V991 F992 V1019 M1023 L1028 | Q983-I988 HydrophobicContact CG-CD1 4.04Å; V986-I988 PolarHBondContact O-N 2.68Å; I988-S990 VanDerWaalsContact C-N 3.32Å; I988-S990 PolarHBondContact O-N 2.86Å; I988-V991 HydrophobicContact CD1-CG2 4.41Å; I988-V991 PolarHBondContact O-N 2.91Å; I988-F992 HydrophobicContact CD1-CE2 4.12Å; I988-F992 HydrophobicContact CG1-CD2 4.39Å; I988-F992 HydrophobicContact CG1-CE2 3.86Å; I988-F992 WeakPolarHBondContact O-CD2 3.45Å; I988-V1019 HydrophobicContact CD1-CG1 3.53Å; I988-V1019 HydrophobicContact CG1-CG1 4.44Å; I988-M1023 HydrophobicContact CG2-CE 3.76Å; I988-M1023 HydrophobicContact CG2-SD 4.47Å; I988-L1028 HydrophobicContact CG2-CD2 4.2Å |
| 989 | L | 80.4 | Confident | 84.2 | Confident | 49 Ų | 49 | 40 Ų | 40 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.9 | -72.9 | 171.9 | 0 | 0 | 0 | 113.1 | P987 V991 F992 E993 L1028 N1031 I1035 | P987-L989 PolarHBondContact O-N 3.12Å; L989-V991 PolarHBondContact O-N 2.92Å; L989-V991 VanDerWaalsContact O-N 3.14Å; L989-F992 WeakPolarHBondContact O-CA 3.45Å; L989-F992 PolarHBondContact O-N 3.32Å; L989-E993 WeakPolarHBondContact O-CG 3.16Å; L989-E993 PolarHBondContact O-N 2.86Å; L989-L1028 HydrophobicContact CD2-CD2 3.95Å; L989-L1028 HydrophobicContact CG-CD2 4.27Å; L989-N1031 HydrophobicContact CD2-CB 3.93Å; L989-I1035 HydrophobicContact CD2-CD1 3.87Å |
| 990 | S | 81.2 | Confident | 84 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -17.9 | -177.9 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | V986 P987 I988 | V986-S990 WeakPolarHBondContact CG2-OG 3.37Å; P987-S990 WeakPolarHBondContact O-CB 3.46Å; P987-S990 PolarHBondContact O-N 2.57Å; P987-S990 PolarHBondContact O-OG 2.68Å; I988-S990 VanDerWaalsContact C-N 3.32Å; I988-S990 PolarHBondContact O-N 2.86Å |
| 991 | V | 83.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.4 | -27.9 | 171.7 | -162.3 | 0 | 0 | 0 | 0 | 111.3 | E957 Q983 V986 I988 L989 L997 W1015 | E957-V991 VanDerWaalsContact OE1-CG1 3.26Å; E957-V991 WeakPolarHBondContact OE1-CG1 3.35Å; Q983-V991 HydrophobicContact CG-CG2 4.49Å; V986-V991 HydrophobicContact CG2-CG2 3.93Å; I988-V991 HydrophobicContact CD1-CG2 4.41Å; I988-V991 PolarHBondContact O-N 2.91Å; L989-V991 PolarHBondContact O-N 2.92Å; L989-V991 VanDerWaalsContact O-N 3.14Å; V991-L997 HydrophobicContact CG1-CD1 4.06Å; V991-L997 HydrophobicContact CG1-CD2 4.29Å; V991-L997 HydrophobicContact CG1-CG 4.39Å; V991-W1015 HydrophobicContact CG1-CH2 4.2Å |
| 992 | F | 80.7 | Confident | 83.6 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -88.2 | -27.2 | 177.2 | -68.4 | -66.9 | 0 | 0 | 0 | 113.5 | I988 L989 N994 D995 L997 L1016 L1020 L1028 I1035 L1039 F1069 | I988-F992 HydrophobicContact CD1-CE2 4.12Å; I988-F992 HydrophobicContact CG1-CD2 4.39Å; I988-F992 HydrophobicContact CG1-CE2 3.86Å; I988-F992 WeakPolarHBondContact O-CD2 3.45Å; L989-F992 WeakPolarHBondContact O-CA 3.45Å; L989-F992 PolarHBondContact O-N 3.32Å; F992-N994 PolarHBondContact O-N 2.91Å; F992-D995 PolarHBondContact O-N 3.41Å; F992-L997 HydrophobicContact CD1-CD1 3.6Å; F992-L997 HydrophobicContact CE1-CD1 3.55Å; F992-L997 HydrophobicContact CG-CD1 4.45Å; F992-L997 HydrophobicContact CZ-CD1 4.4Å; F992-L1016 HydrophobicContact CE1-CD1 4Å; F992-L1016 HydrophobicContact CZ-CD1 3.82Å; F992-L1020 HydrophobicContact CE2-CD2 4.43Å; F992-L1020 HydrophobicContact CZ-CD2 4.29Å; F992-L1028 HydrophobicContact CD2-CD1 4.45Å; F992-L1028 HydrophobicContact CE2-CD1 4.01Å; F992-I1035 HydrophobicContact CB-CD1 3.74Å; F992-I1035 HydrophobicContact CB-CG1 3.91Å; F992-I1035 HydrophobicContact CB-CG2 3.96Å; F992-I1035 HydrophobicContact CD1-CG2 3.5Å; F992-I1035 HydrophobicContact CD2-CD1 4.19Å; F992-I1035 HydrophobicContact CD2-CG2 4.47Å; F992-I1035 HydrophobicContact CE1-CG2 4.09Å; F992-I1035 HydrophobicContact CG-CD1 4.05Å; F992-I1035 HydrophobicContact CG-CG1 4.45Å; F992-I1035 HydrophobicContact CG-CG2 3.75Å; F992-L1039 HydrophobicContact CD1-CD2 4.3Å; F992-L1039 HydrophobicContact CE1-CD2 3.75Å; F992-F1069 HydrophobicContact CE2-CZ 4.35Å; F992-F1069 HydrophobicContact CZ-CZ 4.2Å |
| 993 | E | 74 | Confident | 83.3 | Confident | 141 Ų | 141 | 47.4 Ų | 47.4 | 66% | 0.659 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16.9 | -172.8 | -85.3 | 166.8 | -157 | 0 | 0 | 116.7 | L989 | L989-E993 WeakPolarHBondContact O-CG 3.16Å; L989-E993 PolarHBondContact O-N 2.86Å |
| 994 | N | 69.4 | Low | 82.9 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 11.6 | -170.7 | -64.5 | -91.3 | 0 | 0 | 0 | 113.9 | F992 M996 | F992-N994 PolarHBondContact O-N 2.91Å; N994-M996 HydrophobicContact CB-CE 4.15Å; N994-M996 HydrophobicContact CB-CG 3.86Å; N994-M996 PolarHBondContact O-N 3.01Å |
| 995 | D | 77.7 | Confident | 83.2 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 55.7 | 2.3 | -175.6 | -75.3 | -45.8 | 0 | 0 | 0 | 116.6 | F992 L997 A998 D999 N1038 | F992-D995 PolarHBondContact O-N 3.41Å; D995-L997 VanDerWaalsContact C-N 3.25Å; D995-L997 PolarHBondContact O-N 3.23Å; D995-L997 VanDerWaalsContact O-N 3.13Å; D995-A998 WeakPolarHBondContact O-CA 3.45Å; D995-A998 WeakPolarHBondContact O-CB 3.16Å; D995-A998 PolarHBondContact O-N 3.26Å; D995-D999 PolarHBondContact O-N 3.37Å; D995-N1038 WeakPolarHBondContact OD1-CB 3.28Å; D995-N1038 PolarHBondContact OD1-ND2 3.39Å; D995-N1038 PolarHBondContact OD2-ND2 3.01Å |
| 996 | M | 83.2 | Confident | 83.4 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.5 | -37.6 | -173.4 | -64.3 | -66.1 | 157.9 | 0 | 0 | 113 | P958 L961 N994 A1000 | P958-M996 HydrophobicContact CB-SD 4.16Å; P958-M996 HydrophobicContact CG-CG 4.19Å; P958-M996 HydrophobicContact CG-SD 3.72Å; L961-M996 HydrophobicContact CD1-CB 3.95Å; N994-M996 HydrophobicContact CB-CE 4.15Å; N994-M996 HydrophobicContact CB-CG 3.86Å; N994-M996 PolarHBondContact O-N 3.01Å; M996-A1000 WeakPolarHBondContact O-CB 3.46Å; M996-A1000 PolarHBondContact O-N 2.61Å |
| 997 | L | 87.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.1 | -58.5 | 176.2 | 0 | 0 | 0 | 112.4 | L961 V991 F992 D995 L1001 L1012 W1015 L1039 | L961-L997 HydrophobicContact CD1-CD2 4.18Å; L961-L997 HydrophobicContact CD2-CD2 3.94Å; V991-L997 HydrophobicContact CG1-CD1 4.06Å; V991-L997 HydrophobicContact CG1-CD2 4.29Å; V991-L997 HydrophobicContact CG1-CG 4.39Å; F992-L997 HydrophobicContact CD1-CD1 3.6Å; F992-L997 HydrophobicContact CE1-CD1 3.55Å; F992-L997 HydrophobicContact CG-CD1 4.45Å; F992-L997 HydrophobicContact CZ-CD1 4.4Å; D995-L997 VanDerWaalsContact C-N 3.25Å; D995-L997 PolarHBondContact O-N 3.23Å; D995-L997 VanDerWaalsContact O-N 3.13Å; L997-L1001 WeakPolarHBondContact O-CG 3.44Å; L997-L1001 PolarHBondContact O-N 3.17Å; L997-L1012 HydrophobicContact CD2-CD1 4.02Å; L997-W1015 HydrophobicContact CD2-CZ3 4.23Å; L997-L1039 HydrophobicContact CB-CD1 4.17Å |
| 998 | A | 86.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.7 | -46 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D995 A1000 L1001 K1002 N1038 L1039 Q1042 | D995-A998 WeakPolarHBondContact O-CA 3.45Å; D995-A998 WeakPolarHBondContact O-CB 3.16Å; D995-A998 PolarHBondContact O-N 3.26Å; A998-A1000 VanDerWaalsContact C-N 3.28Å; A998-A1000 PolarHBondContact O-N 2.9Å; A998-L1001 PolarHBondContact O-N 3.24Å; A998-K1002 VanDerWaalsContact O-CB 3.26Å; A998-K1002 WeakPolarHBondContact O-CB 3.18Å; A998-K1002 PolarHBondContact O-N 3.41Å; A998-N1038 HydrophobicContact CB-CB 4.3Å; A998-L1039 HydrophobicContact CB-CD1 4.46Å; A998-Q1042 HydrophobicContact CB-CG 4.3Å |
| 999 | D | 88.2 | Confident | 84.9 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -29.9 | 175.8 | -100.5 | -9.3 | 0 | 0 | 0 | 112.5 | D995 K1002 | D995-D999 PolarHBondContact O-N 3.37Å; D999-K1002 WeakPolarHBondContact O-CB 3.42Å; D999-K1002 WeakPolarHBondContact OD1-CD 3.44Å; D999-K1002 IonicContact OD1-NZ 3.8Å; D999-K1002 PolarHBondContact OD1-NZ 3.42Å |
| 1000 | A | 89.2 | Confident | 85.5 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -48.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | L961 M996 A998 K1002 M1003 L1008 L1012 | L961-A1000 HydrophobicContact CB-CB 4.18Å; L961-A1000 HydrophobicContact CD1-CB 4.13Å; M996-A1000 WeakPolarHBondContact O-CB 3.46Å; M996-A1000 PolarHBondContact O-N 2.61Å; A998-A1000 VanDerWaalsContact C-N 3.28Å; A998-A1000 PolarHBondContact O-N 2.9Å; A1000-K1002 VanDerWaalsContact C-N 3.26Å; A1000-K1002 PolarHBondContact O-N 3.13Å; A1000-M1003 WeakPolarHBondContact O-CB 3.26Å; A1000-M1003 PolarHBondContact O-N 3.23Å; A1000-M1003 VanDerWaalsContact O-N 3.15Å; A1000-L1008 HydrophobicContact CB-CD2 4.09Å; A1000-L1008 VanDerWaalsContact O-CD2 3.25Å; A1000-L1008 WeakPolarHBondContact O-CD2 3.34Å; A1000-L1012 HydrophobicContact CB-CD2 3.8Å |
| 1001 | L | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -31.6 | 175.8 | -71.9 | 176.7 | 0 | 0 | 0 | 113.1 | L997 A998 M1003 R1009 L1012 L1013 L1039 Q1042 V1043 | L997-L1001 WeakPolarHBondContact O-CG 3.44Å; L997-L1001 PolarHBondContact O-N 3.17Å; A998-L1001 PolarHBondContact O-N 3.24Å; L1001-M1003 PolarHBondContact O-N 3.02Å; L1001-R1009 HydrophobicContact CD2-CG 4.29Å; L1001-R1009 PolarHBondContact O-NE 3.27Å; L1001-R1009 PolarHBondContact O-NH2 3.03Å; L1001-R1009 VanDerWaalsContact O-NH2 3.09Å; L1001-L1012 HydrophobicContact CD2-CB 4.15Å; L1001-L1012 HydrophobicContact CD2-CD2 3.85Å; L1001-L1012 HydrophobicContact CD2-CG 4.08Å; L1001-L1012 HydrophobicContact CG-CD2 3.9Å; L1001-L1012 HydrophobicContact CG-CG 4.45Å; L1001-L1013 HydrophobicContact CD1-CD2 3.94Å; L1001-L1013 HydrophobicContact CD2-CD1 4.4Å; L1001-L1013 HydrophobicContact CD2-CD2 3.96Å; L1001-L1013 HydrophobicContact CD2-CG 3.81Å; L1001-L1039 HydrophobicContact CD1-CD1 3.93Å; L1001-Q1042 HydrophobicContact CB-CB 3.7Å; L1001-Q1042 HydrophobicContact CB-CG 4.5Å; L1001-Q1042 HydrophobicContact CD1-CB 4.24Å; L1001-V1043 HydrophobicContact CD1-CG2 4.31Å |
| 1002 | K | 87.7 | Confident | 86.7 | Confident | 121 Ų | 121 | 53 Ų | 53 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -25.5 | 175.8 | -175.7 | -170.6 | -171 | -176.8 | 0 | 112.8 | A998 D999 A1000 R1009 | A998-K1002 VanDerWaalsContact O-CB 3.26Å; A998-K1002 WeakPolarHBondContact O-CB 3.18Å; A998-K1002 PolarHBondContact O-N 3.41Å; D999-K1002 WeakPolarHBondContact O-CB 3.42Å; D999-K1002 WeakPolarHBondContact OD1-CD 3.44Å; D999-K1002 IonicContact OD1-NZ 3.8Å; D999-K1002 PolarHBondContact OD1-NZ 3.42Å; A1000-K1002 VanDerWaalsContact C-N 3.26Å; A1000-K1002 PolarHBondContact O-N 3.13Å; K1002-R1009 PolarHBondContact O-NH2 3.34Å |
| 1003 | M | 85.6 | Confident | 87.4 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -65.3 | 133.1 | 172.3 | -58.6 | -175 | 70.8 | 0 | 0 | 111.2 | L962 A1000 L1001 N1005 L1008 R1009 | L962-M1003 HydrophobicContact CD2-CE 3.88Å; L962-M1003 HydrophobicContact CD2-SD 3.59Å; L962-M1003 VanDerWaalsContact CD2-SD 3.59Å; A1000-M1003 WeakPolarHBondContact O-CB 3.26Å; A1000-M1003 PolarHBondContact O-N 3.23Å; A1000-M1003 VanDerWaalsContact O-N 3.15Å; L1001-M1003 PolarHBondContact O-N 3.02Å; M1003-N1005 PolarHBondContact O-N 2.92Å; M1003-L1008 HydrophobicContact SD-CD1 4.27Å; M1003-R1009 PolarHBondContact O-NE 3.45Å; M1003-R1009 PolarHBondContact O-NH2 3.48Å; M1003-R1009 VanDerWaalsContact O-NH2 3.15Å |
| 1004 | E | 80.8 | Confident | 88.4 | Confident | 180 Ų | 180 | 51 Ų | 51 | 84% | 0.841 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -76.7 | 48.7 | 179.6 | -61.1 | -168.8 | 164 | 0 | 0 | 113.4 | ||
| 1005 | N | 90.8 | Very high | 89.6 | Confident | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | trans | -108.5 | 111.9 | 172.6 | -174.6 | -36.5 | 0 | 0 | 0 | 109.9 | G965 M1003 F1007 L1008 R1009 | G965-N1005 WeakPolarHBondContact CA-ND2 3.09Å; G965-N1005 PolarHBondContact O-ND2 3.49Å; M1003-N1005 PolarHBondContact O-N 2.92Å; N1005-F1007 VanDerWaalsContact C-N 3.33Å; N1005-F1007 PolarHBondContact O-N 3.12Å; N1005-F1007 WeakPolarHBondContact OD1-CB 3.43Å; N1005-F1007 PolarHBondContact OD1-N 3Å; N1005-L1008 HydrophobicContact CB-CB 3.87Å; N1005-L1008 PolarHBondContact O-N 3.37Å; N1005-L1008 PolarHBondContact OD1-N 3.4Å; N1005-R1009 PolarHBondContact O-N 2.98Å | ||
| 1006 | P | 87.3 | Confident | 90.3 | Very high | 40 Ų | 40 | 45 Ų | 45 | 26% | 0.26 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.5 | -23.5 | -174.5 | 29.3 | -35.7 | 0 | 0 | 0 | 113.6 | A1010 N1051 | P1006-A1010 WeakPolarHBondContact O-CB 3.2Å; P1006-A1010 PolarHBondContact O-N 2.88Å; P1006-A1010 VanDerWaalsContact O-N 3.09Å; P1006-N1051 HydrophobicContact CB-CB 3.54Å |
| 1007 | F | 92.1 | Very high | 90.7 | Very high | 94 Ų | 94 | 44.3 Ų | 44.3 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.8 | -45.8 | 172.3 | -60.9 | -66.3 | 0 | 0 | 0 | 110.2 | L964 N1005 R1009 A1010 E1011 | L964-F1007 CarbonylContact O-C 3.56Å; N1005-F1007 VanDerWaalsContact C-N 3.33Å; N1005-F1007 PolarHBondContact O-N 3.12Å; N1005-F1007 WeakPolarHBondContact OD1-CB 3.43Å; N1005-F1007 PolarHBondContact OD1-N 3Å; F1007-R1009 PolarHBondContact O-N 3.5Å; F1007-A1010 PolarHBondContact O-N 3.27Å; F1007-E1011 WeakPolarHBondContact O-CG 3.36Å; F1007-E1011 PolarHBondContact O-N 3.49Å |
| 1008 | L | 93.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -52.3 | 176 | -170.3 | 162.8 | 0 | 0 | 0 | 110.2 | L964 A1000 M1003 N1005 A1010 L1012 | L964-L1008 HydrophobicContact CB-CG 4.27Å; L964-L1008 WeakPolarHBondContact O-CA 3.26Å; L964-L1008 PolarHBondContact O-N 3.35Å; A1000-L1008 HydrophobicContact CB-CD2 4.09Å; A1000-L1008 VanDerWaalsContact O-CD2 3.25Å; A1000-L1008 WeakPolarHBondContact O-CD2 3.34Å; M1003-L1008 HydrophobicContact SD-CD1 4.27Å; N1005-L1008 HydrophobicContact CB-CB 3.87Å; N1005-L1008 PolarHBondContact O-N 3.37Å; N1005-L1008 PolarHBondContact OD1-N 3.4Å; L1008-A1010 PolarHBondContact O-N 2.91Å; L1008-L1012 HydrophobicContact CD2-CB 4.3Å; L1008-L1012 HydrophobicContact CD2-CD2 3.78Å; L1008-L1012 WeakPolarHBondContact O-CB 3.44Å; L1008-L1012 PolarHBondContact O-N 3.22Å |
| 1009 | R | 93.7 | Very high | 90.8 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.6 | -50.9 | 178 | -71.9 | 177.3 | 177.5 | 159.7 | 1.1 | 112.1 | L1001 K1002 M1003 N1005 F1007 L1013 D1049 A1054 | L1001-R1009 HydrophobicContact CD2-CG 4.29Å; L1001-R1009 PolarHBondContact O-NE 3.27Å; L1001-R1009 PolarHBondContact O-NH2 3.03Å; L1001-R1009 VanDerWaalsContact O-NH2 3.09Å; K1002-R1009 PolarHBondContact O-NH2 3.34Å; M1003-R1009 PolarHBondContact O-NE 3.45Å; M1003-R1009 PolarHBondContact O-NH2 3.48Å; M1003-R1009 VanDerWaalsContact O-NH2 3.15Å; N1005-R1009 PolarHBondContact O-N 2.98Å; F1007-R1009 PolarHBondContact O-N 3.5Å; R1009-L1013 HydrophobicContact CB-CD1 4.43Å; R1009-L1013 VanDerWaalsContact O-CB 3.29Å; R1009-L1013 WeakPolarHBondContact O-CB 3.49Å; R1009-L1013 VanDerWaalsContact O-CD1 3.3Å; R1009-L1013 WeakPolarHBondContact O-CD1 3.3Å; R1009-L1013 WeakPolarHBondContact O-CG 3.35Å; R1009-L1013 PolarHBondContact O-N 3.4Å; R1009-D1049 VanDerWaalsContact CD-OD2 3.25Å; R1009-D1049 WeakPolarHBondContact CD-OD2 3.47Å; R1009-D1049 IonicContact CZ-OD2 3.09Å; R1009-D1049 IonicContact NE-OD2 3.72Å; R1009-D1049 IonicContact NH1-OD2 3.17Å; R1009-D1049 PolarHBondContact NH1-OD2 2.87Å; R1009-A1054 HydrophobicContact CB-CB 4.13Å |
| 1010 | A | 92.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1006 F1007 L1008 R1014 E1053 Q1057 | P1006-A1010 WeakPolarHBondContact O-CB 3.2Å; P1006-A1010 PolarHBondContact O-N 2.88Å; P1006-A1010 VanDerWaalsContact O-N 3.09Å; F1007-A1010 PolarHBondContact O-N 3.27Å; L1008-A1010 PolarHBondContact O-N 2.91Å; A1010-R1014 VanDerWaalsContact O-CB 3.24Å; A1010-R1014 WeakPolarHBondContact O-CB 3.34Å; A1010-R1014 PolarHBondContact O-N 3.46Å; A1010-R1014 VanDerWaalsContact O-N 3.15Å; A1010-E1053 HydrophobicContact CB-CG 4.31Å; A1010-Q1057 HydrophobicContact CB-CG 4.46Å |
| 1011 | E | 95.2 | Very high | 90.6 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.3 | -35.4 | -178.7 | -51.3 | -68.4 | -173.7 | 0 | 0 | 111.7 | L964 R972 V976 F1007 W1015 | L964-E1011 HydrophobicContact CD2-CB 4.33Å; R972-E1011 HydrophobicContact CB-CG 4.28Å; R972-E1011 IonicContact CZ-OE1 3.28Å; R972-E1011 VanDerWaalsContact CZ-OE1 3.23Å; R972-E1011 IonicContact NE-OE1 2.66Å; R972-E1011 PolarHBondContact NE-OE1 3.29Å; R972-E1011 IonicContact NH2-OE1 3.36Å; R972-E1011 PolarHBondContact NH2-OE1 2.94Å; V976-E1011 HydrophobicContact CG2-CB 4.42Å; F1007-E1011 WeakPolarHBondContact O-CG 3.36Å; F1007-E1011 PolarHBondContact O-N 3.49Å; E1011-W1015 VanDerWaalsContact O-CB 3.31Å; E1011-W1015 WeakPolarHBondContact O-CB 3.49Å; E1011-W1015 PolarHBondContact O-N 3.19Å |
| 1012 | L | 94.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.8 | -41.2 | -179 | -174.9 | 54.8 | 0 | 0 | 0 | 112.7 | L961 L964 L979 L997 A1000 L1001 L1008 R1014 W1015 L1016 | L961-L1012 HydrophobicContact CD2-CD1 3.68Å; L961-L1012 HydrophobicContact CD2-CD2 4.26Å; L964-L1012 HydrophobicContact CD1-CB 3.99Å; L964-L1012 HydrophobicContact CD1-CD1 3.87Å; L964-L1012 HydrophobicContact CD1-CG 4.42Å; L979-L1012 HydrophobicContact CD2-CD1 4.4Å; L997-L1012 HydrophobicContact CD2-CD1 4.02Å; A1000-L1012 HydrophobicContact CB-CD2 3.8Å; L1001-L1012 HydrophobicContact CD2-CB 4.15Å; L1001-L1012 HydrophobicContact CD2-CD2 3.85Å; L1001-L1012 HydrophobicContact CD2-CG 4.08Å; L1001-L1012 HydrophobicContact CG-CD2 3.9Å; L1001-L1012 HydrophobicContact CG-CG 4.45Å; L1008-L1012 HydrophobicContact CD2-CB 4.3Å; L1008-L1012 HydrophobicContact CD2-CD2 3.78Å; L1008-L1012 WeakPolarHBondContact O-CB 3.44Å; L1008-L1012 PolarHBondContact O-N 3.22Å; L1012-R1014 VanDerWaalsContact C-N 3.34Å; L1012-W1015 HydrophobicContact CD1-CE3 4.06Å; L1012-W1015 PolarHBondContact O-N 3.05Å; L1012-L1016 VanDerWaalsContact O-CB 3.3Å; L1012-L1016 WeakPolarHBondContact O-CB 3.15Å; L1012-L1016 PolarHBondContact O-N 2.88Å |
| 1013 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.8 | -68.3 | 165 | 0 | 0 | 0 | 111.5 | L1001 R1009 L1016 Q1017 V1043 Q1057 A1058 V1061 | L1001-L1013 HydrophobicContact CD1-CD2 3.94Å; L1001-L1013 HydrophobicContact CD2-CD1 4.4Å; L1001-L1013 HydrophobicContact CD2-CD2 3.96Å; L1001-L1013 HydrophobicContact CD2-CG 3.81Å; R1009-L1013 HydrophobicContact CB-CD1 4.43Å; R1009-L1013 VanDerWaalsContact O-CB 3.29Å; R1009-L1013 WeakPolarHBondContact O-CB 3.49Å; R1009-L1013 VanDerWaalsContact O-CD1 3.3Å; R1009-L1013 WeakPolarHBondContact O-CD1 3.3Å; R1009-L1013 WeakPolarHBondContact O-CG 3.35Å; R1009-L1013 PolarHBondContact O-N 3.4Å; L1013-L1016 PolarHBondContact O-N 3.22Å; L1013-Q1017 PolarHBondContact O-N 3.31Å; L1013-V1043 HydrophobicContact CD2-CG1 4.32Å; L1013-V1043 HydrophobicContact CD2-CG2 3.96Å; L1013-Q1057 HydrophobicContact CB-CB 3.95Å; L1013-A1058 HydrophobicContact CD1-CB 3.85Å; L1013-V1061 HydrophobicContact CD2-CG1 4.15Å |
| 1014 | R | 95.1 | Very high | 89.7 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 43% | 0.426 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 172.6 | -178.4 | -168.3 | 170.1 | 123.9 | 15.9 | 111.6 | A1010 L1012 L1016 Q1017 E1018 Q1057 | A1010-R1014 VanDerWaalsContact O-CB 3.24Å; A1010-R1014 WeakPolarHBondContact O-CB 3.34Å; A1010-R1014 PolarHBondContact O-N 3.46Å; A1010-R1014 VanDerWaalsContact O-N 3.15Å; L1012-R1014 VanDerWaalsContact C-N 3.34Å; R1014-L1016 VanDerWaalsContact C-N 3.3Å; R1014-L1016 PolarHBondContact O-N 3Å; R1014-Q1017 WeakPolarHBondContact O-CB 3.36Å; R1014-Q1017 PolarHBondContact O-N 3.43Å; R1014-Q1017 VanDerWaalsContact O-N 3.12Å; R1014-E1018 IonicContact CZ-OE1 3.12Å; R1014-E1018 VanDerWaalsContact CZ-OE1 3.26Å; R1014-E1018 IonicContact NE-OE1 3.76Å; R1014-E1018 PolarHBondContact NE-OE1 2.6Å; R1014-E1018 IonicContact NH2-OE1 2.96Å; R1014-E1018 PolarHBondContact NH2-OE1 3.22Å; R1014-E1018 PolarHBondContact O-N 2.72Å; R1014-Q1057 HydrophobicContact CB-CG 4.33Å |
| 1015 | W | 95 | Very high | 89.7 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.9 | 177.6 | 78.3 | 0 | 0 | 0 | 111.8 | L979 S980 Q983 V991 L997 E1011 L1012 Q1017 E1018 V1019 | L979-W1015 HydrophobicContact CB-CZ2 4.46Å; L979-W1015 HydrophobicContact CD2-CD2 3.62Å; L979-W1015 HydrophobicContact CD2-CE3 3.75Å; L979-W1015 HydrophobicContact CD2-CG 4.23Å; L979-W1015 HydrophobicContact CD2-CH2 4Å; L979-W1015 HydrophobicContact CD2-CZ2 3.88Å; L979-W1015 HydrophobicContact CD2-CZ3 3.94Å; L979-W1015 HydrophobicContact CG-CD2 4.24Å; L979-W1015 HydrophobicContact CG-CH2 3.95Å; L979-W1015 HydrophobicContact CG-CZ2 3.6Å; L979-W1015 HydrophobicContact CG-CZ3 4.4Å; S980-W1015 PolarHBondContact OG-NE1 2.84Å; Q983-W1015 HydrophobicContact CB-CH2 4.15Å; Q983-W1015 HydrophobicContact CB-CZ2 3.63Å; Q983-W1015 HydrophobicContact CG-CH2 4.08Å; Q983-W1015 HydrophobicContact CG-CZ2 3.82Å; V991-W1015 HydrophobicContact CG1-CH2 4.2Å; L997-W1015 HydrophobicContact CD2-CZ3 4.23Å; E1011-W1015 VanDerWaalsContact O-CB 3.31Å; E1011-W1015 WeakPolarHBondContact O-CB 3.49Å; E1011-W1015 PolarHBondContact O-N 3.19Å; L1012-W1015 HydrophobicContact CD1-CE3 4.06Å; L1012-W1015 PolarHBondContact O-N 3.05Å; W1015-Q1017 VanDerWaalsContact C-N 3.31Å; W1015-Q1017 PolarHBondContact O-N 2.76Å; W1015-E1018 PolarHBondContact O-N 3.3Å; W1015-V1019 HydrophobicContact CD2-CG2 4.11Å; W1015-V1019 HydrophobicContact CH2-CG2 4.28Å; W1015-V1019 HydrophobicContact CZ2-CG2 3.73Å; W1015-V1019 WeakPolarHBondContact O-CG2 3.23Å; W1015-V1019 PolarHBondContact O-N 3.34Å |
| 1016 | L | 91.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -38.4 | 174.5 | -175.2 | 66.1 | 0 | 0 | 0 | 112.1 | F992 L1012 L1013 R1014 L1020 L1039 V1061 L1065 | F992-L1016 HydrophobicContact CE1-CD1 4Å; F992-L1016 HydrophobicContact CZ-CD1 3.82Å; L1012-L1016 VanDerWaalsContact O-CB 3.3Å; L1012-L1016 WeakPolarHBondContact O-CB 3.15Å; L1012-L1016 PolarHBondContact O-N 2.88Å; L1013-L1016 PolarHBondContact O-N 3.22Å; R1014-L1016 VanDerWaalsContact C-N 3.3Å; R1014-L1016 PolarHBondContact O-N 3Å; L1016-L1020 HydrophobicContact CD1-CD1 3.75Å; L1016-L1020 HydrophobicContact CD1-CG 4.07Å; L1016-L1020 HydrophobicContact CG-CD1 3.92Å; L1016-L1020 HydrophobicContact CG-CG 4.45Å; L1016-L1020 VanDerWaalsContact O-CB 3.3Å; L1016-L1020 WeakPolarHBondContact O-CB 2.89Å; L1016-L1020 VanDerWaalsContact O-CG 3.25Å; L1016-L1020 WeakPolarHBondContact O-CG 3.44Å; L1016-L1020 PolarHBondContact O-N 3.39Å; L1016-L1039 HydrophobicContact CD2-CD2 4.25Å; L1016-V1061 HydrophobicContact CB-CG2 4.35Å; L1016-V1061 HydrophobicContact CD2-CG2 4.23Å; L1016-V1061 HydrophobicContact CG-CG2 4.15Å; L1016-L1065 HydrophobicContact CD2-CD2 4.35Å |
| 1017 | Q | 91.9 | Very high | 88.7 | Confident | 51 Ų | 51 | 45.1 Ų | 45.1 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -49.3 | 171.9 | -171.3 | -141.9 | -8.8 | 0 | 0 | 111.6 | L1013 R1014 W1015 V1019 L1020 S1021 I1060 V1061 | L1013-Q1017 PolarHBondContact O-N 3.31Å; R1014-Q1017 WeakPolarHBondContact O-CB 3.36Å; R1014-Q1017 PolarHBondContact O-N 3.43Å; R1014-Q1017 VanDerWaalsContact O-N 3.12Å; W1015-Q1017 VanDerWaalsContact C-N 3.31Å; W1015-Q1017 PolarHBondContact O-N 2.76Å; Q1017-V1019 PolarHBondContact O-N 2.86Å; Q1017-L1020 PolarHBondContact O-N 3.13Å; Q1017-S1021 WeakPolarHBondContact O-CB 3.29Å; Q1017-S1021 PolarHBondContact O-N 3.47Å; Q1017-I1060 HydrophobicContact CG-CG2 4.23Å; Q1017-I1060 VanDerWaalsContact OE1-CG2 3.28Å; Q1017-V1061 HydrophobicContact CB-CB 4.12Å; Q1017-V1061 HydrophobicContact CB-CG2 3.9Å |
| 1018 | E | 90.3 | Very high | 88.2 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -33.9 | -178.5 | -70.6 | 176.7 | -178 | 0 | 0 | 111.8 | R1014 W1015 | R1014-E1018 IonicContact CZ-OE1 3.12Å; R1014-E1018 VanDerWaalsContact CZ-OE1 3.26Å; R1014-E1018 IonicContact NE-OE1 3.76Å; R1014-E1018 PolarHBondContact NE-OE1 2.6Å; R1014-E1018 IonicContact NH2-OE1 2.96Å; R1014-E1018 PolarHBondContact NH2-OE1 3.22Å; R1014-E1018 PolarHBondContact O-N 2.72Å; W1015-E1018 PolarHBondContact O-N 3.3Å |
| 1019 | V | 87.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -79.9 | -38.7 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 113.8 | Q983 I988 W1015 Q1017 P1022 | Q983-V1019 HydrophobicContact CG-CG1 4.11Å; Q983-V1019 HydrophobicContact CG-CG2 4.34Å; I988-V1019 HydrophobicContact CD1-CG1 3.53Å; I988-V1019 HydrophobicContact CG1-CG1 4.44Å; W1015-V1019 HydrophobicContact CD2-CG2 4.11Å; W1015-V1019 HydrophobicContact CH2-CG2 4.28Å; W1015-V1019 HydrophobicContact CZ2-CG2 3.73Å; W1015-V1019 WeakPolarHBondContact O-CG2 3.23Å; W1015-V1019 PolarHBondContact O-N 3.34Å; Q1017-V1019 PolarHBondContact O-N 2.86Å; V1019-P1022 WeakPolarHBondContact O-CD 3.38Å |
| 1020 | L | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -85.5 | -29.6 | -176 | -67.3 | -177.3 | 0 | 0 | 0 | 114.1 | F992 L1016 Q1017 P1022 M1023 L1065 V1068 F1069 | F992-L1020 HydrophobicContact CE2-CD2 4.43Å; F992-L1020 HydrophobicContact CZ-CD2 4.29Å; L1016-L1020 HydrophobicContact CD1-CD1 3.75Å; L1016-L1020 HydrophobicContact CD1-CG 4.07Å; L1016-L1020 HydrophobicContact CG-CD1 3.92Å; L1016-L1020 HydrophobicContact CG-CG 4.45Å; L1016-L1020 VanDerWaalsContact O-CB 3.3Å; L1016-L1020 WeakPolarHBondContact O-CB 2.89Å; L1016-L1020 VanDerWaalsContact O-CG 3.25Å; L1016-L1020 WeakPolarHBondContact O-CG 3.44Å; L1016-L1020 PolarHBondContact O-N 3.39Å; Q1017-L1020 PolarHBondContact O-N 3.13Å; L1020-P1022 VanDerWaalsContact C-CD 3.47Å; L1020-M1023 HydrophobicContact CD2-SD 3.79Å; L1020-M1023 WeakPolarHBondContact O-CB 3.46Å; L1020-M1023 PolarHBondContact O-N 3.15Å; L1020-M1023 VanDerWaalsContact O-N 3.07Å; L1020-L1065 HydrophobicContact CD1-CD2 3.73Å; L1020-V1068 HydrophobicContact CB-CG2 4.25Å; L1020-V1068 HydrophobicContact CD2-CG1 4.25Å; L1020-F1069 HydrophobicContact CD1-CE2 4.22Å |
| 1021 | S | 84.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -41.8 | -178.5 | -174.9 | 0 | 0 | 0 | 0 | 115.7 | Q1017 M1023 Q1067 | Q1017-S1021 WeakPolarHBondContact O-CB 3.29Å; Q1017-S1021 PolarHBondContact O-N 3.47Å; S1021-M1023 VanDerWaalsContact C-N 3.28Å; S1021-M1023 PolarHBondContact O-N 3.48Å; S1021-Q1067 PolarHBondContact O-NE2 2.86Å |
| 1022 | P | 81.7 | Confident | 84.8 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 70% | 0.695 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -2.8 | 179 | 31.9 | -37.2 | 0 | 0 | 0 | 114.8 | V1019 L1020 | V1019-P1022 WeakPolarHBondContact O-CD 3.38Å; L1020-P1022 VanDerWaalsContact C-CD 3.47Å |
| 1023 | M | 81.7 | Confident | 83.8 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -81 | 142.9 | -176.8 | -58.7 | -165.1 | 84 | 0 | 0 | 112.1 | I988 L1020 S1021 A1027 L1028 Q1067 V1068 | I988-M1023 HydrophobicContact CG2-CE 3.76Å; I988-M1023 HydrophobicContact CG2-SD 4.47Å; L1020-M1023 HydrophobicContact CD2-SD 3.79Å; L1020-M1023 WeakPolarHBondContact O-CB 3.46Å; L1020-M1023 PolarHBondContact O-N 3.15Å; L1020-M1023 VanDerWaalsContact O-N 3.07Å; S1021-M1023 VanDerWaalsContact C-N 3.28Å; S1021-M1023 PolarHBondContact O-N 3.48Å; M1023-A1027 HydrophobicContact CB-CB 4.34Å; M1023-A1027 HydrophobicContact CE-CB 4.28Å; M1023-L1028 HydrophobicContact CE-CD2 4.4Å; M1023-Q1067 PolarHBondContact O-NE2 3.39Å; M1023-V1068 HydrophobicContact CB-CG2 3.72Å; M1023-V1068 HydrophobicContact CG-CG2 4.48Å; M1023-V1068 HydrophobicContact SD-CG1 4.25Å; M1023-V1068 HydrophobicContact SD-CG2 4.48Å |
| 1024 | P | 79.8 | Confident | 82.8 | Confident | 94 Ų | 94 | 67 Ų | 67 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 159.1 | -178.8 | 26.4 | -32.6 | 0 | 0 | 0 | 113.2 | N1026 A1027 | P1024-N1026 PolarHBondContact O-N 3.06Å; P1024-A1027 HydrophobicContact CG-CB 4.11Å; P1024-A1027 WeakPolarHBondContact O-CB 3.46Å; P1024-A1027 PolarHBondContact O-N 3.13Å; P1024-A1027 VanDerWaalsContact O-N 3.08Å |
| 1025 | L | 80.4 | Confident | 82.1 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.9 | -179 | -169.4 | 72.2 | 0 | 0 | 0 | 111.9 | A1027 Q1067 V1100 | L1025-A1027 VanDerWaalsContact C-N 3.3Å; L1025-A1027 PolarHBondContact O-N 3.42Å; L1025-Q1067 CarbonylContact C-O 3.45Å; L1025-Q1067 WeakPolarHBondContact CA-O 3.46Å; L1025-Q1067 HydrophobicContact CD1-CB 4.47Å; L1025-Q1067 HydrophobicContact CD1-CG 4.18Å; L1025-V1100 HydrophobicContact CD1-CG1 3.93Å |
| 1026 | N | 80.7 | Confident | 81.3 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 17 | -175.1 | -58.2 | -72.1 | 0 | 0 | 0 | 116.4 | P1024 L1028 R1029 Q1067 V1068 | P1024-N1026 PolarHBondContact O-N 3.06Å; N1026-L1028 PolarHBondContact O-N 2.91Å; N1026-L1028 VanDerWaalsContact O-N 3.07Å; N1026-R1029 HydrophobicContact CB-CB 3.94Å; N1026-R1029 WeakPolarHBondContact O-CB 3.28Å; N1026-R1029 PolarHBondContact O-N 3.02Å; N1026-R1029 WeakPolarHBondContact OD1-CD 3.39Å; N1026-Q1067 PolarHBondContact N-O 2.93Å; N1026-V1068 CarbonylContact C-O 3.53Å; N1026-V1068 VanDerWaalsContact C-O 3.24Å; N1026-V1068 WeakPolarHBondContact CA-O 3.45Å |
| 1027 | A | 77.5 | Confident | 80.7 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -37.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M1023 P1024 L1025 V1068 | M1023-A1027 HydrophobicContact CB-CB 4.34Å; M1023-A1027 HydrophobicContact CE-CB 4.28Å; P1024-A1027 HydrophobicContact CG-CB 4.11Å; P1024-A1027 WeakPolarHBondContact O-CB 3.46Å; P1024-A1027 PolarHBondContact O-N 3.13Å; P1024-A1027 VanDerWaalsContact O-N 3.08Å; L1025-A1027 VanDerWaalsContact C-N 3.3Å; L1025-A1027 PolarHBondContact O-N 3.42Å; A1027-V1068 HydrophobicContact CB-CG1 4.42Å; A1027-V1068 PolarHBondContact N-O 2.68Å |
| 1028 | L | 81.2 | Confident | 80.4 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 12.4 | -179.7 | -56.1 | -178.8 | 0 | 0 | 0 | 113.2 | I988 L989 F992 M1023 N1026 K1030 N1031 A1032 V1068 F1069 | I988-L1028 HydrophobicContact CG2-CD2 4.2Å; L989-L1028 HydrophobicContact CD2-CD2 3.95Å; L989-L1028 HydrophobicContact CG-CD2 4.27Å; F992-L1028 HydrophobicContact CD2-CD1 4.45Å; F992-L1028 HydrophobicContact CE2-CD1 4.01Å; M1023-L1028 HydrophobicContact CE-CD2 4.4Å; N1026-L1028 PolarHBondContact O-N 2.91Å; N1026-L1028 VanDerWaalsContact O-N 3.07Å; L1028-K1030 PolarHBondContact O-N 3.38Å; L1028-N1031 PolarHBondContact O-N 2.89Å; L1028-A1032 PolarHBondContact O-N 3.01Å; L1028-A1032 VanDerWaalsContact O-N 3.08Å; L1028-V1068 HydrophobicContact CB-CG1 3.75Å; L1028-V1068 HydrophobicContact CD1-CG1 3.63Å; L1028-V1068 HydrophobicContact CG-CG1 3.49Å; L1028-V1068 VanDerWaalsContact CG-CG1 3.49Å; L1028-V1068 PolarHBondContact N-O 2.69Å; L1028-F1069 HydrophobicContact CB-CD1 3.77Å; L1028-F1069 HydrophobicContact CB-CE1 3.63Å; L1028-F1069 HydrophobicContact CB-CZ 4.49Å; L1028-F1069 HydrophobicContact CD1-CE1 3.78Å; L1028-F1069 HydrophobicContact CD1-CZ 3.89Å; L1028-F1069 HydrophobicContact CG-CE1 4.35Å |
| 1029 | R | 78.3 | Confident | 80.3 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.9 | -176.2 | -172.7 | 173.7 | -178.1 | -161.5 | 2.4 | 113.7 | N1026 A1032 E1072 | N1026-R1029 HydrophobicContact CB-CB 3.94Å; N1026-R1029 WeakPolarHBondContact O-CB 3.28Å; N1026-R1029 PolarHBondContact O-N 3.02Å; N1026-R1029 WeakPolarHBondContact OD1-CD 3.39Å; R1029-A1032 WeakPolarHBondContact O-CB 3.13Å; R1029-A1032 PolarHBondContact O-N 2.96Å; R1029-E1072 IonicContact CZ-OE2 3.85Å; R1029-E1072 IonicContact NH2-OE2 3.93Å; R1029-E1072 PolarHBondContact NH2-OE2 3.05Å |
| 1030 | K | 76.4 | Confident | 80.4 | Confident | 204 Ų | 204 | 62.5 Ų | 62.5 | 89% | 0.887 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -34.9 | 176.3 | -69.7 | -178.3 | 178.8 | 176.3 | 0 | 113.6 | L1028 | L1028-K1030 PolarHBondContact O-N 3.38Š|
| 1031 | N | 74.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -0.2 | -178.8 | -63.8 | 71.3 | 0 | 0 | 0 | 112.1 | L989 L1028 S1033 E1034 I1035 | L989-N1031 HydrophobicContact CD2-CB 3.93Å; L1028-N1031 PolarHBondContact O-N 2.89Å; N1031-S1033 VanDerWaalsContact C-N 3.32Å; N1031-S1033 PolarHBondContact O-N 3.34Å; N1031-E1034 PolarHBondContact O-N 3.44Å; N1031-I1035 HydrophobicContact CB-CD1 3.91Å; N1031-I1035 PolarHBondContact O-N 3.09Å |
| 1032 | A | 74.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1028 R1029 E1034 T1036 F1069 P1073 | L1028-A1032 PolarHBondContact O-N 3.01Å; L1028-A1032 VanDerWaalsContact O-N 3.08Å; R1029-A1032 WeakPolarHBondContact O-CB 3.13Å; R1029-A1032 PolarHBondContact O-N 2.96Å; A1032-E1034 VanDerWaalsContact C-N 3.28Å; A1032-E1034 PolarHBondContact O-N 3.13Å; A1032-T1036 HydrophobicContact CB-CG2 4.44Å; A1032-T1036 WeakPolarHBondContact O-CB 3.47Å; A1032-T1036 VanDerWaalsContact O-CG2 3.27Å; A1032-T1036 WeakPolarHBondContact O-CG2 3.33Å; A1032-T1036 PolarHBondContact O-N 2.83Å; A1032-T1036 PolarHBondContact O-OG1 2.69Å; A1032-F1069 HydrophobicContact CB-CB 3.94Å; A1032-F1069 HydrophobicContact CB-CD1 3.81Å; A1032-F1069 HydrophobicContact CB-CG 4.34Å; A1032-P1073 HydrophobicContact CB-CB 4.34Å; A1032-P1073 HydrophobicContact CB-CG 3.89Å |
| 1033 | S | 73.7 | Confident | 81.3 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.9 | -36 | -176.6 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | N1031 E1037 | N1031-S1033 VanDerWaalsContact C-N 3.32Å; N1031-S1033 PolarHBondContact O-N 3.34Å; S1033-E1037 WeakPolarHBondContact O-CB 3.13Å |
| 1034 | E | 74.5 | Confident | 81.8 | Confident | 144 Ų | 144 | 57.1 Ų | 57.1 | 67% | 0.673 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -79.1 | -55.8 | -178.9 | -172.5 | 165.7 | -141.9 | 0 | 0 | 109.9 | N1031 A1032 T1036 E1037 | N1031-E1034 PolarHBondContact O-N 3.44Å; A1032-E1034 VanDerWaalsContact C-N 3.28Å; A1032-E1034 PolarHBondContact O-N 3.13Å; E1034-T1036 VanDerWaalsContact C-N 3.35Å; E1034-T1036 PolarHBondContact O-N 2.86Å; E1034-E1037 PolarHBondContact O-N 2.99Å |
| 1035 | I | 79.2 | Confident | 82.2 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | -177.9 | -57.2 | 172 | 0 | 0 | 0 | 111.7 | L989 F992 N1031 L1039 F1069 | L989-I1035 HydrophobicContact CD2-CD1 3.87Å; F992-I1035 HydrophobicContact CB-CD1 3.74Å; F992-I1035 HydrophobicContact CB-CG1 3.91Å; F992-I1035 HydrophobicContact CB-CG2 3.96Å; F992-I1035 HydrophobicContact CD1-CG2 3.5Å; F992-I1035 HydrophobicContact CD2-CD1 4.19Å; F992-I1035 HydrophobicContact CD2-CG2 4.47Å; F992-I1035 HydrophobicContact CE1-CG2 4.09Å; F992-I1035 HydrophobicContact CG-CD1 4.05Å; F992-I1035 HydrophobicContact CG-CG1 4.45Å; F992-I1035 HydrophobicContact CG-CG2 3.75Å; N1031-I1035 HydrophobicContact CB-CD1 3.91Å; N1031-I1035 PolarHBondContact O-N 3.09Å; I1035-L1039 HydrophobicContact CG2-CD2 4.37Å; I1035-L1039 WeakPolarHBondContact O-CB 3.15Å; I1035-L1039 PolarHBondContact O-N 3.24Å; I1035-L1039 VanDerWaalsContact O-N 3.11Å; I1035-F1069 HydrophobicContact CB-CE1 4.12Å; I1035-F1069 HydrophobicContact CB-CZ 4.49Å; I1035-F1069 HydrophobicContact CD1-CE1 4.1Å; I1035-F1069 HydrophobicContact CG2-CE1 3.91Å; I1035-F1069 HydrophobicContact CG2-CZ 3.78Å |
| 1036 | T | 78.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.1 | -20.8 | -176.9 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | A1032 E1034 N1038 I1040 F1069 P1073 | A1032-T1036 HydrophobicContact CB-CG2 4.44Å; A1032-T1036 WeakPolarHBondContact O-CB 3.47Å; A1032-T1036 VanDerWaalsContact O-CG2 3.27Å; A1032-T1036 WeakPolarHBondContact O-CG2 3.33Å; A1032-T1036 PolarHBondContact O-N 2.83Å; A1032-T1036 PolarHBondContact O-OG1 2.69Å; E1034-T1036 VanDerWaalsContact C-N 3.35Å; E1034-T1036 PolarHBondContact O-N 2.86Å; T1036-N1038 VanDerWaalsContact C-N 3.33Å; T1036-I1040 HydrophobicContact CG2-CD1 4.45Å; T1036-I1040 HydrophobicContact CG2-CG1 3.83Å; T1036-I1040 VanDerWaalsContact O-CB 3.28Å; T1036-I1040 WeakPolarHBondContact O-CB 3.46Å; T1036-I1040 WeakPolarHBondContact O-CG1 3.42Å; T1036-I1040 PolarHBondContact O-N 2.7Å; T1036-F1069 HydrophobicContact CG2-CB 3.92Å; T1036-F1069 HydrophobicContact CG2-CD1 4.06Å; T1036-F1069 HydrophobicContact CG2-CD2 4.14Å; T1036-F1069 HydrophobicContact CG2-CG 3.78Å; T1036-P1073 HydrophobicContact CG2-CB 4.36Å; T1036-P1073 WeakPolarHBondContact OG1-CB 3.25Å |
| 1037 | E | 80.7 | Confident | 83.2 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.1 | -32.6 | 179 | -173.4 | 144.7 | -174.2 | 0 | 0 | 111.6 | S1033 E1034 P1041 R1080 | S1033-E1037 WeakPolarHBondContact O-CB 3.13Å; E1034-E1037 PolarHBondContact O-N 2.99Å; E1037-P1041 WeakPolarHBondContact O-CD 3.23Å; E1037-P1041 WeakPolarHBondContact O-CG 3.48Å; E1037-R1080 IonicContact OE1-CZ 3.02Å; E1037-R1080 IonicContact OE1-NH1 3.9Å; E1037-R1080 PolarHBondContact OE1-NH1 3.23Å; E1037-R1080 IonicContact OE1-NH2 2.66Å; E1037-R1080 PolarHBondContact OE1-NH2 3.21Å; E1037-R1080 IonicContact OE2-CZ 2.89Å; E1037-R1080 IonicContact OE2-NH2 2.66Å; E1037-R1080 PolarHBondContact OE2-NH2 2.93Å |
| 1038 | N | 84.3 | Confident | 83.7 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -94.1 | -42.7 | 176.7 | -67.4 | -25.4 | 0 | 0 | 0 | 113.7 | D995 A998 T1036 | D995-N1038 WeakPolarHBondContact OD1-CB 3.28Å; D995-N1038 PolarHBondContact OD1-ND2 3.39Å; D995-N1038 PolarHBondContact OD2-ND2 3.01Å; A998-N1038 HydrophobicContact CB-CB 4.3Å; T1036-N1038 VanDerWaalsContact C-N 3.33Å |
| 1039 | L | 88.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.4 | -48.3 | -173.8 | -174.8 | 67.8 | 0 | 0 | 0 | 113.3 | F992 L997 A998 L1001 L1016 I1035 Q1042 V1043 | F992-L1039 HydrophobicContact CD1-CD2 4.3Å; F992-L1039 HydrophobicContact CE1-CD2 3.75Å; L997-L1039 HydrophobicContact CB-CD1 4.17Å; A998-L1039 HydrophobicContact CB-CD1 4.46Å; L1001-L1039 HydrophobicContact CD1-CD1 3.93Å; L1016-L1039 HydrophobicContact CD2-CD2 4.25Å; I1035-L1039 HydrophobicContact CG2-CD2 4.37Å; I1035-L1039 WeakPolarHBondContact O-CB 3.15Å; I1035-L1039 PolarHBondContact O-N 3.24Å; I1035-L1039 VanDerWaalsContact O-N 3.11Å; L1039-Q1042 PolarHBondContact O-N 3.39Å; L1039-V1043 HydrophobicContact CG-CG2 4.49Å; L1039-V1043 PolarHBondContact O-N 2.87Å |
| 1040 | I | 90 | Very high | 84.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | -170.1 | -62.7 | -63 | 0 | 0 | 0 | 113 | T1036 Q1042 V1043 F1044 L1065 I1074 | T1036-I1040 HydrophobicContact CG2-CD1 4.45Å; T1036-I1040 HydrophobicContact CG2-CG1 3.83Å; T1036-I1040 VanDerWaalsContact O-CB 3.28Å; T1036-I1040 WeakPolarHBondContact O-CB 3.46Å; T1036-I1040 WeakPolarHBondContact O-CG1 3.42Å; T1036-I1040 PolarHBondContact O-N 2.7Å; I1040-Q1042 PolarHBondContact O-N 3.3Å; I1040-V1043 PolarHBondContact O-N 2.79Å; I1040-V1043 VanDerWaalsContact O-N 3.13Å; I1040-F1044 HydrophobicContact CG2-CD1 4.12Å; I1040-F1044 HydrophobicContact CG2-CD2 3.87Å; I1040-F1044 HydrophobicContact CG2-CE1 3.61Å; I1040-F1044 HydrophobicContact CG2-CE2 3.33Å; I1040-F1044 HydrophobicContact CG2-CG 4.25Å; I1040-F1044 HydrophobicContact CG2-CZ 3.19Å; I1040-F1044 WeakPolarHBondContact O-CG 3.22Å; I1040-F1044 PolarHBondContact O-N 2.89Å; I1040-L1065 HydrophobicContact CD1-CB 4.42Å; I1040-L1065 HydrophobicContact CD1-CD1 3.84Å; I1040-L1065 HydrophobicContact CD1-CD2 4.17Å; I1040-L1065 HydrophobicContact CD1-CG 4.37Å; I1040-I1074 HydrophobicContact CD1-CD1 4.47Å; I1040-I1074 HydrophobicContact CD1-CG1 4.21Å; I1040-I1074 HydrophobicContact CG1-CG1 4.33Å; I1040-I1074 HydrophobicContact CG2-CG2 4.36Å |
| 1041 | P | 89.3 | Confident | 85.1 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 29% | 0.292 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.7 | -29.1 | 172.5 | -27.9 | 37.4 | 0 | 0 | 0 | 114.5 | E1037 A1045 | E1037-P1041 WeakPolarHBondContact O-CD 3.23Å; E1037-P1041 WeakPolarHBondContact O-CG 3.48Å; P1041-A1045 WeakPolarHBondContact O-CB 3.4Å; P1041-A1045 PolarHBondContact O-N 3.09Å |
| 1042 | Q | 91.3 | Very high | 85.8 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 20% | 0.201 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -80.3 | -32.8 | 176.9 | -48.5 | -55.5 | -32.8 | 0 | 0 | 112 | A998 L1001 L1039 I1040 F1044 S1046 | A998-Q1042 HydrophobicContact CB-CG 4.3Å; L1001-Q1042 HydrophobicContact CB-CB 3.7Å; L1001-Q1042 HydrophobicContact CB-CG 4.5Å; L1001-Q1042 HydrophobicContact CD1-CB 4.24Å; L1039-Q1042 PolarHBondContact O-N 3.39Å; I1040-Q1042 PolarHBondContact O-N 3.3Å; Q1042-F1044 VanDerWaalsContact C-N 3.32Å; Q1042-S1046 WeakPolarHBondContact O-CB 3.31Å; Q1042-S1046 PolarHBondContact O-N 3.42Å; Q1042-S1046 PolarHBondContact O-OG 3.1Å |
| 1043 | V | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 168.5 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | L1001 L1013 L1039 I1040 S1046 L1047 V1061 L1062 L1065 | L1001-V1043 HydrophobicContact CD1-CG2 4.31Å; L1013-V1043 HydrophobicContact CD2-CG1 4.32Å; L1013-V1043 HydrophobicContact CD2-CG2 3.96Å; L1039-V1043 HydrophobicContact CG-CG2 4.49Å; L1039-V1043 PolarHBondContact O-N 2.87Å; I1040-V1043 PolarHBondContact O-N 2.79Å; I1040-V1043 VanDerWaalsContact O-N 3.13Å; V1043-S1046 CarbonylContact O-C 3.56Å; V1043-S1046 WeakPolarHBondContact O-CA 3.43Å; V1043-S1046 WeakPolarHBondContact O-CB 3.41Å; V1043-S1046 PolarHBondContact O-N 2.82Å; V1043-S1046 VanDerWaalsContact O-N 3.1Å; V1043-L1047 PolarHBondContact O-N 2.83Å; V1043-V1061 HydrophobicContact CG1-CG1 4.1Å; V1043-L1062 HydrophobicContact CG1-CD2 4.06Å; V1043-L1065 HydrophobicContact CG1-CD1 4.11Å; V1043-L1065 HydrophobicContact CG2-CD1 4.23Å |
| 1044 | F | 92.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 174.8 | -68.8 | -14.2 | 0 | 0 | 0 | 112.9 | I1040 Q1042 S1046 L1047 E1048 I1074 A1078 L1081 I1089 L1093 | I1040-F1044 HydrophobicContact CG2-CD1 4.12Å; I1040-F1044 HydrophobicContact CG2-CD2 3.87Å; I1040-F1044 HydrophobicContact CG2-CE1 3.61Å; I1040-F1044 HydrophobicContact CG2-CE2 3.33Å; I1040-F1044 HydrophobicContact CG2-CG 4.25Å; I1040-F1044 HydrophobicContact CG2-CZ 3.19Å; I1040-F1044 WeakPolarHBondContact O-CG 3.22Å; I1040-F1044 PolarHBondContact O-N 2.89Å; Q1042-F1044 VanDerWaalsContact C-N 3.32Å; F1044-S1046 PolarHBondContact O-N 3.38Å; F1044-L1047 HydrophobicContact CD1-CD1 4.07Å; F1044-L1047 WeakPolarHBondContact O-CB 3.41Å; F1044-L1047 PolarHBondContact O-N 2.9Å; F1044-E1048 PolarHBondContact O-N 2.9Å; F1044-I1074 HydrophobicContact CE1-CG2 4.5Å; F1044-I1074 HydrophobicContact CZ-CG2 4.05Å; F1044-A1078 HydrophobicContact CE2-CB 3.79Å; F1044-A1078 HydrophobicContact CZ-CB 3.88Å; F1044-L1081 HydrophobicContact CB-CD2 4.46Å; F1044-L1081 HydrophobicContact CD2-CD1 3.77Å; F1044-L1081 HydrophobicContact CD2-CD2 4.16Å; F1044-L1081 HydrophobicContact CD2-CG 4.21Å; F1044-L1081 HydrophobicContact CE2-CD1 4.24Å; F1044-L1081 HydrophobicContact CG-CD1 4.29Å; F1044-I1089 HydrophobicContact CB-CD1 3.65Å; F1044-I1089 HydrophobicContact CD1-CD1 4.37Å; F1044-I1089 HydrophobicContact CD1-CG2 3.78Å; F1044-I1089 HydrophobicContact CE1-CG2 3.87Å; F1044-I1089 HydrophobicContact CG-CD1 4.08Å; F1044-I1089 HydrophobicContact CG-CG2 4.23Å; F1044-I1089 HydrophobicContact CZ-CG2 4.38Å; F1044-I1089 WeakPolarHBondContact O-CD1 3.48Å; F1044-L1093 HydrophobicContact CE1-CD1 3.99Å; F1044-L1093 HydrophobicContact CE1-CD2 4Å; F1044-L1093 HydrophobicContact CE1-CG 4.31Å; F1044-L1093 HydrophobicContact CZ-CD1 3.81Å; F1044-L1093 HydrophobicContact CZ-CD2 4.33Å |
| 1045 | A | 89.3 | Confident | 88.1 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -30.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1041 E1048 D1049 | P1041-A1045 WeakPolarHBondContact O-CB 3.4Å; P1041-A1045 PolarHBondContact O-N 3.09Å; A1045-E1048 PolarHBondContact O-N 3.33Å; A1045-D1049 PolarHBondContact O-N 3.36Å |
| 1046 | S | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.1 | -23.2 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 113.8 | Q1042 V1043 F1044 E1048 D1049 R1055 | Q1042-S1046 WeakPolarHBondContact O-CB 3.31Å; Q1042-S1046 PolarHBondContact O-N 3.42Å; Q1042-S1046 PolarHBondContact O-OG 3.1Å; V1043-S1046 CarbonylContact O-C 3.56Å; V1043-S1046 WeakPolarHBondContact O-CA 3.43Å; V1043-S1046 WeakPolarHBondContact O-CB 3.41Å; V1043-S1046 PolarHBondContact O-N 2.82Å; V1043-S1046 VanDerWaalsContact O-N 3.1Å; F1044-S1046 PolarHBondContact O-N 3.38Å; S1046-E1048 VanDerWaalsContact C-N 3.28Å; S1046-D1049 WeakPolarHBondContact O-CB 3.38Å; S1046-D1049 PolarHBondContact O-N 3.37Å; S1046-R1055 WeakPolarHBondContact O-CA 3.36Å; S1046-R1055 WeakPolarHBondContact O-CG 3.48Å |
| 1047 | L | 90.1 | Very high | 89.5 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.4 | -24.7 | 169 | -69 | 169.4 | 0 | 0 | 0 | 112.4 | V1043 F1044 R1055 A1058 Q1059 L1062 I1089 | V1043-L1047 PolarHBondContact O-N 2.83Å; F1044-L1047 HydrophobicContact CD1-CD1 4.07Å; F1044-L1047 WeakPolarHBondContact O-CB 3.41Å; F1044-L1047 PolarHBondContact O-N 2.9Å; L1047-R1055 WeakPolarHBondContact O-CD 3.35Å; L1047-R1055 VanDerWaalsContact O-CG 3.22Å; L1047-R1055 WeakPolarHBondContact O-CG 3.35Å; L1047-A1058 HydrophobicContact CD2-CB 3.75Å; L1047-A1058 HydrophobicContact CG-CB 3.98Å; L1047-Q1059 HydrophobicContact CD2-CB 3.99Å; L1047-L1062 HydrophobicContact CD1-CD1 4.19Å; L1047-L1062 HydrophobicContact CD1-CD2 4.47Å; L1047-L1062 HydrophobicContact CD2-CD1 4.39Å; L1047-I1089 HydrophobicContact CB-CD1 4.34Å; L1047-I1089 HydrophobicContact CB-CG1 4.32Å; L1047-I1089 HydrophobicContact CD1-CB 4.47Å; L1047-I1089 HydrophobicContact CD1-CD1 4.2Å; L1047-I1089 HydrophobicContact CD1-CG1 3.98Å; L1047-I1089 HydrophobicContact CD1-CG2 3.89Å |
| 1048 | E | 88.3 | Confident | 90.1 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 9 | 176 | -53.3 | -160.7 | 126.1 | 0 | 0 | 112.8 | F1044 A1045 S1046 S1085 S1088 I1089 | F1044-E1048 PolarHBondContact O-N 2.9Å; A1045-E1048 PolarHBondContact O-N 3.33Å; S1046-E1048 VanDerWaalsContact C-N 3.28Å; E1048-S1085 WeakPolarHBondContact OE1-CA 3.33Å; E1048-S1085 VanDerWaalsContact OE2-CB 3.25Å; E1048-S1085 WeakPolarHBondContact OE2-CB 3.34Å; E1048-S1085 PolarHBondContact OE2-OG 3.26Å; E1048-S1088 PolarHBondContact OE1-OG 2.87Å; E1048-I1089 HydrophobicContact CG-CD1 4.24Å |
| 1049 | D | 88.6 | Confident | 90.5 | Very high | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | trans | -64.8 | 146.1 | -178.3 | -162.1 | -62.8 | 0 | 0 | 0 | 112.4 | R1009 A1045 S1046 N1051 A1054 R1055 | R1009-D1049 VanDerWaalsContact CD-OD2 3.25Å; R1009-D1049 WeakPolarHBondContact CD-OD2 3.47Å; R1009-D1049 IonicContact CZ-OD2 3.09Å; R1009-D1049 IonicContact NE-OD2 3.72Å; R1009-D1049 IonicContact NH1-OD2 3.17Å; R1009-D1049 PolarHBondContact NH1-OD2 2.87Å; A1045-D1049 PolarHBondContact O-N 3.36Å; S1046-D1049 WeakPolarHBondContact O-CB 3.38Å; S1046-D1049 PolarHBondContact O-N 3.37Å; D1049-N1051 PolarHBondContact O-N 3.49Å; D1049-N1051 WeakPolarHBondContact OD1-CB 3.37Å; D1049-N1051 PolarHBondContact OD1-N 2.91Å; D1049-A1054 HydrophobicContact CB-CB 4.13Å; D1049-R1055 HydrophobicContact CB-CG 4.16Å; D1049-R1055 WeakPolarHBondContact O-CD 3.25Å; D1049-R1055 VanDerWaalsContact O-CG 3.26Å; D1049-R1055 WeakPolarHBondContact O-CG 3Å; D1049-R1055 PolarHBondContact O-NE 3.06Å | ||
| 1050 | R | 86.5 | Confident | 90.7 | Very high | 245 Ų | 245 | 51.9 Ų | 51.9 | 93% | 0.925 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -65.4 | -27.4 | 176.9 | -63.4 | 179.4 | -179.6 | 172.2 | 1.4 | 112 | ||
| 1051 | N | 89.9 | Confident | 90.8 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -80.6 | 126.9 | 178.1 | -170.3 | -64.8 | 0 | 0 | 0 | 112 | P1006 D1049 E1053 A1054 R1055 | P1006-N1051 HydrophobicContact CB-CB 3.54Å; D1049-N1051 PolarHBondContact O-N 3.49Å; D1049-N1051 WeakPolarHBondContact OD1-CB 3.37Å; D1049-N1051 PolarHBondContact OD1-N 2.91Å; N1051-E1053 PolarHBondContact O-N 2.67Å; N1051-E1053 PolarHBondContact OD1-N 3.49Å; N1051-A1054 HydrophobicContact CB-CB 4.04Å; N1051-A1054 PolarHBondContact O-N 3.45Å; N1051-A1054 PolarHBondContact OD1-N 2.91Å; N1051-R1055 PolarHBondContact O-N 3.23Å; N1051-R1055 VanDerWaalsContact O-N 3.16Å |
| 1052 | V | 89.3 | Confident | 91 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 61% | 0.606 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.6 | -37.6 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | K1056 | V1052-K1056 VanDerWaalsContact O-CB 3.26Å; V1052-K1056 WeakPolarHBondContact O-CB 3.37Å; V1052-K1056 PolarHBondContact O-N 2.75Å |
| 1053 | E | 89 | Confident | 91.1 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75 | -36.4 | -179 | -164.9 | 62.1 | -151.1 | 0 | 0 | 111.1 | A1010 N1051 R1055 K1056 Q1057 | A1010-E1053 HydrophobicContact CB-CG 4.31Å; N1051-E1053 PolarHBondContact O-N 2.67Å; N1051-E1053 PolarHBondContact OD1-N 3.49Å; E1053-R1055 PolarHBondContact O-N 3.39Å; E1053-K1056 PolarHBondContact O-N 3.05Å; E1053-K1056 IonicContact OE1-NZ 2.75Å; E1053-K1056 PolarHBondContact OE1-NZ 2.89Å; E1053-K1056 IonicContact OE2-NZ 3.71Å; E1053-K1056 PolarHBondContact OE2-NZ 3.28Å; E1053-Q1057 HydrophobicContact CG-CG 4.41Å; E1053-Q1057 VanDerWaalsContact O-CG 3.32Å; E1053-Q1057 WeakPolarHBondContact O-CG 3.31Å; E1053-Q1057 PolarHBondContact O-N 3.23Å; E1053-Q1057 PolarHBondContact OE1-NE2 2.92Å |
| 1054 | A | 89.5 | Confident | 91 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1009 D1049 N1051 K1056 Q1057 A1058 | R1009-A1054 HydrophobicContact CB-CB 4.13Å; D1049-A1054 HydrophobicContact CB-CB 4.13Å; N1051-A1054 HydrophobicContact CB-CB 4.04Å; N1051-A1054 PolarHBondContact O-N 3.45Å; N1051-A1054 PolarHBondContact OD1-N 2.91Å; A1054-K1056 PolarHBondContact O-N 3.33Å; A1054-Q1057 PolarHBondContact O-N 2.91Å; A1054-A1058 VanDerWaalsContact O-CB 3.29Å; A1054-A1058 WeakPolarHBondContact O-CB 3.44Å; A1054-A1058 PolarHBondContact O-N 3.25Å |
| 1055 | R | 92.7 | Very high | 90.9 | Very high | 105 Ų | 105 | 49.5 Ų | 49.5 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.9 | -73.7 | -166.8 | -83.3 | 148.3 | -6.6 | 113.2 | S1046 L1047 D1049 N1051 E1053 A1058 Q1059 | S1046-R1055 WeakPolarHBondContact O-CA 3.36Å; S1046-R1055 WeakPolarHBondContact O-CG 3.48Å; L1047-R1055 WeakPolarHBondContact O-CD 3.35Å; L1047-R1055 VanDerWaalsContact O-CG 3.22Å; L1047-R1055 WeakPolarHBondContact O-CG 3.35Å; D1049-R1055 HydrophobicContact CB-CG 4.16Å; D1049-R1055 WeakPolarHBondContact O-CD 3.25Å; D1049-R1055 VanDerWaalsContact O-CG 3.26Å; D1049-R1055 WeakPolarHBondContact O-CG 3Å; D1049-R1055 PolarHBondContact O-NE 3.06Å; N1051-R1055 PolarHBondContact O-N 3.23Å; N1051-R1055 VanDerWaalsContact O-N 3.16Å; E1053-R1055 PolarHBondContact O-N 3.39Å; R1055-A1058 WeakPolarHBondContact O-CB 3.48Å; R1055-A1058 PolarHBondContact O-N 3.07Å; R1055-Q1059 PolarHBondContact O-N 3.07Å |
| 1056 | K | 92.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 47.7 Ų | 47.7 | 40% | 0.404 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.3 | -46.1 | 179.1 | 174.1 | 169.6 | 156.1 | -113 | 0 | 111.9 | V1052 E1053 A1054 Q1059 I1060 | V1052-K1056 VanDerWaalsContact O-CB 3.26Å; V1052-K1056 WeakPolarHBondContact O-CB 3.37Å; V1052-K1056 PolarHBondContact O-N 2.75Å; E1053-K1056 PolarHBondContact O-N 3.05Å; E1053-K1056 IonicContact OE1-NZ 2.75Å; E1053-K1056 PolarHBondContact OE1-NZ 2.89Å; E1053-K1056 IonicContact OE2-NZ 3.71Å; E1053-K1056 PolarHBondContact OE2-NZ 3.28Å; A1054-K1056 PolarHBondContact O-N 3.33Å; K1056-Q1059 PolarHBondContact O-N 3.4Å; K1056-I1060 HydrophobicContact CG-CD1 3.73Å; K1056-I1060 WeakPolarHBondContact O-CB 3.44Å; K1056-I1060 WeakPolarHBondContact O-CD1 3.33Å; K1056-I1060 WeakPolarHBondContact O-CG1 3.3Å; K1056-I1060 PolarHBondContact O-N 2.86Å |
| 1057 | Q | 93.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 175.5 | -61 | -59.5 | -26 | 0 | 0 | 111.5 | A1010 L1013 R1014 E1053 A1054 Q1059 I1060 V1061 | A1010-Q1057 HydrophobicContact CB-CG 4.46Å; L1013-Q1057 HydrophobicContact CB-CB 3.95Å; R1014-Q1057 HydrophobicContact CB-CG 4.33Å; E1053-Q1057 HydrophobicContact CG-CG 4.41Å; E1053-Q1057 VanDerWaalsContact O-CG 3.32Å; E1053-Q1057 WeakPolarHBondContact O-CG 3.31Å; E1053-Q1057 PolarHBondContact O-N 3.23Å; E1053-Q1057 PolarHBondContact OE1-NE2 2.92Å; A1054-Q1057 PolarHBondContact O-N 2.91Å; Q1057-Q1059 VanDerWaalsContact C-N 3.31Å; Q1057-Q1059 PolarHBondContact O-N 2.53Å; Q1057-I1060 PolarHBondContact O-N 2.93Å; Q1057-V1061 WeakPolarHBondContact O-CG1 3.45Å; Q1057-V1061 PolarHBondContact O-N 3.38Å |
| 1058 | A | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1013 L1047 A1054 R1055 V1061 L1062 | L1013-A1058 HydrophobicContact CD1-CB 3.85Å; L1047-A1058 HydrophobicContact CD2-CB 3.75Å; L1047-A1058 HydrophobicContact CG-CB 3.98Å; A1054-A1058 VanDerWaalsContact O-CB 3.29Å; A1054-A1058 WeakPolarHBondContact O-CB 3.44Å; A1054-A1058 PolarHBondContact O-N 3.25Å; R1055-A1058 WeakPolarHBondContact O-CB 3.48Å; R1055-A1058 PolarHBondContact O-N 3.07Å; A1058-V1061 WeakPolarHBondContact O-CG1 3.37Å; A1058-L1062 WeakPolarHBondContact O-CG 3.45Å |
| 1059 | Q | 92.8 | Very high | 90.6 | Very high | 78 Ų | 78 | 44.1 Ų | 44.1 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -73 | -40.2 | 175.5 | -172.1 | 176.8 | 6 | 0 | 0 | 112.3 | L1047 R1055 K1056 Q1057 V1061 L1062 H1092 | L1047-Q1059 HydrophobicContact CD2-CB 3.99Å; R1055-Q1059 PolarHBondContact O-N 3.07Å; K1056-Q1059 PolarHBondContact O-N 3.4Å; Q1057-Q1059 VanDerWaalsContact C-N 3.31Å; Q1057-Q1059 PolarHBondContact O-N 2.53Å; Q1059-V1061 VanDerWaalsContact C-N 3.33Å; Q1059-V1061 PolarHBondContact O-N 2.88Å; Q1059-L1062 PolarHBondContact O-N 2.93Å; Q1059-H1092 PolarHBondContact NE2-ND1 3.28Å; Q1059-H1092 VanDerWaalsContact NE2-ND1 3.15Å |
| 1060 | I | 92.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 32% | 0.323 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.6 | -28.1 | -178.1 | -70.6 | 166.4 | 0 | 0 | 0 | 112.4 | Q1017 K1056 Q1057 P1063 | Q1017-I1060 HydrophobicContact CG-CG2 4.23Å; Q1017-I1060 VanDerWaalsContact OE1-CG2 3.28Å; K1056-I1060 HydrophobicContact CG-CD1 3.73Å; K1056-I1060 WeakPolarHBondContact O-CB 3.44Å; K1056-I1060 WeakPolarHBondContact O-CD1 3.33Å; K1056-I1060 WeakPolarHBondContact O-CG1 3.3Å; K1056-I1060 PolarHBondContact O-N 2.86Å; Q1057-I1060 PolarHBondContact O-N 2.93Å; I1060-P1063 WeakPolarHBondContact O-CD 3.49Å |
| 1061 | V | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -81.5 | -16.6 | 178.6 | 73 | 0 | 0 | 0 | 0 | 114 | L1013 L1016 Q1017 V1043 Q1057 A1058 Q1059 S1064 L1065 | L1013-V1061 HydrophobicContact CD2-CG1 4.15Å; L1016-V1061 HydrophobicContact CB-CG2 4.35Å; L1016-V1061 HydrophobicContact CD2-CG2 4.23Å; L1016-V1061 HydrophobicContact CG-CG2 4.15Å; Q1017-V1061 HydrophobicContact CB-CB 4.12Å; Q1017-V1061 HydrophobicContact CB-CG2 3.9Å; V1043-V1061 HydrophobicContact CG1-CG1 4.1Å; Q1057-V1061 WeakPolarHBondContact O-CG1 3.45Å; Q1057-V1061 PolarHBondContact O-N 3.38Å; A1058-V1061 WeakPolarHBondContact O-CG1 3.37Å; Q1059-V1061 VanDerWaalsContact C-N 3.33Å; Q1059-V1061 PolarHBondContact O-N 2.88Å; V1061-S1064 PolarHBondContact O-N 2.85Å; V1061-L1065 HydrophobicContact CG1-CD1 3.97Å; V1061-L1065 HydrophobicContact CG2-CD1 4.22Å; V1061-L1065 HydrophobicContact CG2-CG 4.16Å; V1061-L1065 WeakPolarHBondContact O-CG 3.38Å; V1061-L1065 PolarHBondContact O-N 3.24Å |
| 1062 | L | 93.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.2 | -44.3 | -178.3 | -61.4 | 178.6 | 0 | 0 | 0 | 114.4 | V1043 L1047 A1058 Q1059 S1064 L1065 I1066 H1092 L1093 A1096 | V1043-L1062 HydrophobicContact CG1-CD2 4.06Å; L1047-L1062 HydrophobicContact CD1-CD1 4.19Å; L1047-L1062 HydrophobicContact CD1-CD2 4.47Å; L1047-L1062 HydrophobicContact CD2-CD1 4.39Å; A1058-L1062 WeakPolarHBondContact O-CG 3.45Å; Q1059-L1062 PolarHBondContact O-N 2.93Å; L1062-S1064 PolarHBondContact O-N 3.16Å; L1062-L1065 PolarHBondContact O-N 3.41Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.36Å; L1062-I1066 PolarHBondContact O-N 3.03Å; L1062-H1092 HydrophobicContact CD1-CB 3.93Å; L1062-L1093 HydrophobicContact CD1-CD2 4.29Å; L1062-L1093 HydrophobicContact CD2-CD2 4.13Å; L1062-A1096 HydrophobicContact CB-CB 3.56Å; L1062-A1096 HydrophobicContact CD1-CB 4.4Å |
| 1063 | P | 91.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 21% | 0.208 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 177.6 | -23.9 | 35.9 | 0 | 0 | 0 | 112.2 | I1060 L1065 I1066 Q1067 A1096 S1099 V1100 | I1060-P1063 WeakPolarHBondContact O-CD 3.49Å; P1063-L1065 VanDerWaalsContact C-N 3.34Å; P1063-L1065 PolarHBondContact O-N 3.01Å; P1063-I1066 PolarHBondContact O-N 3Å; P1063-Q1067 VanDerWaalsContact O-CB 3.23Å; P1063-Q1067 WeakPolarHBondContact O-CB 3.32Å; P1063-Q1067 PolarHBondContact O-N 3.26Å; P1063-A1096 HydrophobicContact CG-CB 4.01Å; P1063-S1099 WeakPolarHBondContact CB-OG 3.38Å; P1063-S1099 WeakPolarHBondContact CG-OG 3.35Å; P1063-V1100 HydrophobicContact CB-CG2 3.85Å; P1063-V1100 VanDerWaalsContact O-CG2 3.26Å; P1063-V1100 WeakPolarHBondContact O-CG2 3.42Å |
| 1064 | S | 90.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | V1061 L1062 V1068 | V1061-S1064 PolarHBondContact O-N 2.85Å; L1062-S1064 PolarHBondContact O-N 3.16Å; S1064-V1068 WeakPolarHBondContact O-CB 3.5Å; S1064-V1068 WeakPolarHBondContact O-CG2 3.41Å; S1064-V1068 PolarHBondContact O-N 3.23Å |
| 1065 | L | 90.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -46 | 173.8 | -66.5 | 166.6 | 0 | 0 | 0 | 111.6 | L1016 L1020 I1040 V1043 V1061 L1062 P1063 Q1067 V1068 F1069 I1074 | L1016-L1065 HydrophobicContact CD2-CD2 4.35Å; L1020-L1065 HydrophobicContact CD1-CD2 3.73Å; I1040-L1065 HydrophobicContact CD1-CB 4.42Å; I1040-L1065 HydrophobicContact CD1-CD1 3.84Å; I1040-L1065 HydrophobicContact CD1-CD2 4.17Å; I1040-L1065 HydrophobicContact CD1-CG 4.37Å; V1043-L1065 HydrophobicContact CG1-CD1 4.11Å; V1043-L1065 HydrophobicContact CG2-CD1 4.23Å; V1061-L1065 HydrophobicContact CG1-CD1 3.97Å; V1061-L1065 HydrophobicContact CG2-CD1 4.22Å; V1061-L1065 HydrophobicContact CG2-CG 4.16Å; V1061-L1065 WeakPolarHBondContact O-CG 3.38Å; V1061-L1065 PolarHBondContact O-N 3.24Å; L1062-L1065 PolarHBondContact O-N 3.41Å; P1063-L1065 VanDerWaalsContact C-N 3.34Å; P1063-L1065 PolarHBondContact O-N 3.01Å; L1065-Q1067 VanDerWaalsContact C-N 3.35Å; L1065-V1068 PolarHBondContact O-N 3.16Å; L1065-F1069 HydrophobicContact CD2-CD2 4.01Å; L1065-F1069 HydrophobicContact CD2-CE2 3.76Å; L1065-F1069 WeakPolarHBondContact O-CB 3.2Å; L1065-F1069 PolarHBondContact O-N 2.95Å; L1065-I1074 HydrophobicContact CB-CD1 3.85Å |
| 1066 | I | 89.8 | Confident | 90 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 177.5 | -66.8 | 166.4 | 0 | 0 | 0 | 111.1 | L1062 P1063 G1070 W1071 I1074 L1093 A1096 R1097 V1100 | L1062-I1066 WeakPolarHBondContact O-CG1 3.36Å; L1062-I1066 PolarHBondContact O-N 3.03Å; P1063-I1066 PolarHBondContact O-N 3Å; I1066-G1070 CarbonylContact O-C 3.34Å; I1066-G1070 WeakPolarHBondContact O-CA 3.48Å; I1066-G1070 PolarHBondContact O-N 3.49Å; I1066-W1071 HydrophobicContact CD1-CE3 3.95Å; I1066-W1071 HydrophobicContact CD1-CZ3 3.94Å; I1066-W1071 HydrophobicContact CG1-CE3 4.2Å; I1066-W1071 HydrophobicContact CG2-CB 4.42Å; I1066-W1071 HydrophobicContact CG2-CE3 4.38Å; I1066-I1074 HydrophobicContact CB-CD1 4.36Å; I1066-I1074 HydrophobicContact CG1-CD1 3.72Å; I1066-L1093 HydrophobicContact CD1-CD2 4.48Å; I1066-A1096 HydrophobicContact CD1-CB 3.69Å; I1066-R1097 HydrophobicContact CD1-CB 4.3Å; I1066-V1100 HydrophobicContact CB-CG2 4.33Å; I1066-V1100 HydrophobicContact CG2-CB 4.46Å; I1066-V1100 HydrophobicContact CG2-CG2 4.27Å |
| 1067 | Q | 88.9 | Confident | 89.8 | Confident | 31 Ų | 31 | 30.1 Ų | 30.1 | 15% | 0.145 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.8 | 176.6 | 179.5 | -33.5 | 0 | 0 | 111.5 | S1021 M1023 L1025 N1026 P1063 L1065 V1100 | S1021-Q1067 PolarHBondContact O-NE2 2.86Å; M1023-Q1067 PolarHBondContact O-NE2 3.39Å; L1025-Q1067 CarbonylContact C-O 3.45Å; L1025-Q1067 WeakPolarHBondContact CA-O 3.46Å; L1025-Q1067 HydrophobicContact CD1-CB 4.47Å; L1025-Q1067 HydrophobicContact CD1-CG 4.18Å; N1026-Q1067 PolarHBondContact N-O 2.93Å; P1063-Q1067 VanDerWaalsContact O-CB 3.23Å; P1063-Q1067 WeakPolarHBondContact O-CB 3.32Å; P1063-Q1067 PolarHBondContact O-N 3.26Å; L1065-Q1067 VanDerWaalsContact C-N 3.35Å; Q1067-V1100 HydrophobicContact CB-CG1 4.15Å; Q1067-V1100 HydrophobicContact CB-CG2 4.34Å |
| 1068 | V | 87.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -87.4 | -40.5 | -170.6 | 174.2 | 0 | 0 | 0 | 0 | 113.9 | L1020 M1023 N1026 A1027 L1028 S1064 L1065 | L1020-V1068 HydrophobicContact CB-CG2 4.25Å; L1020-V1068 HydrophobicContact CD2-CG1 4.25Å; M1023-V1068 HydrophobicContact CB-CG2 3.72Å; M1023-V1068 HydrophobicContact CG-CG2 4.48Å; M1023-V1068 HydrophobicContact SD-CG1 4.25Å; M1023-V1068 HydrophobicContact SD-CG2 4.48Å; N1026-V1068 CarbonylContact C-O 3.53Å; N1026-V1068 VanDerWaalsContact C-O 3.24Å; N1026-V1068 WeakPolarHBondContact CA-O 3.45Å; A1027-V1068 HydrophobicContact CB-CG1 4.42Å; A1027-V1068 PolarHBondContact N-O 2.68Å; L1028-V1068 HydrophobicContact CB-CG1 3.75Å; L1028-V1068 HydrophobicContact CD1-CG1 3.63Å; L1028-V1068 HydrophobicContact CG-CG1 3.49Å; L1028-V1068 VanDerWaalsContact CG-CG1 3.49Å; L1028-V1068 PolarHBondContact N-O 2.69Å; S1064-V1068 WeakPolarHBondContact O-CB 3.5Å; S1064-V1068 WeakPolarHBondContact O-CG2 3.41Å; S1064-V1068 PolarHBondContact O-N 3.23Å; L1065-V1068 PolarHBondContact O-N 3.16Å |
| 1069 | F | 87.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -96.7 | -17.9 | -178.4 | -63.2 | -70.1 | 0 | 0 | 0 | 113.7 | F992 L1020 L1028 A1032 I1035 T1036 L1065 | F992-F1069 HydrophobicContact CE2-CZ 4.35Å; F992-F1069 HydrophobicContact CZ-CZ 4.2Å; L1020-F1069 HydrophobicContact CD1-CE2 4.22Å; L1028-F1069 HydrophobicContact CB-CD1 3.77Å; L1028-F1069 HydrophobicContact CB-CE1 3.63Å; L1028-F1069 HydrophobicContact CB-CZ 4.49Å; L1028-F1069 HydrophobicContact CD1-CE1 3.78Å; L1028-F1069 HydrophobicContact CD1-CZ 3.89Å; L1028-F1069 HydrophobicContact CG-CE1 4.35Å; A1032-F1069 HydrophobicContact CB-CB 3.94Å; A1032-F1069 HydrophobicContact CB-CD1 3.81Å; A1032-F1069 HydrophobicContact CB-CG 4.34Å; I1035-F1069 HydrophobicContact CB-CE1 4.12Å; I1035-F1069 HydrophobicContact CB-CZ 4.49Å; I1035-F1069 HydrophobicContact CD1-CE1 4.1Å; I1035-F1069 HydrophobicContact CG2-CE1 3.91Å; I1035-F1069 HydrophobicContact CG2-CZ 3.78Å; T1036-F1069 HydrophobicContact CG2-CB 3.92Å; T1036-F1069 HydrophobicContact CG2-CD1 4.06Å; T1036-F1069 HydrophobicContact CG2-CD2 4.14Å; T1036-F1069 HydrophobicContact CG2-CG 3.78Å; L1065-F1069 HydrophobicContact CD2-CD2 4.01Å; L1065-F1069 HydrophobicContact CD2-CE2 3.76Å; L1065-F1069 WeakPolarHBondContact O-CB 3.2Å; L1065-F1069 PolarHBondContact O-N 2.95Å |
| 1070 | G | 87.2 | Confident | 89 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | 88.9 | 159.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1066 | I1066-G1070 CarbonylContact O-C 3.34Å; I1066-G1070 WeakPolarHBondContact O-CA 3.48Å; I1066-G1070 PolarHBondContact O-N 3.49Å | ||
| 1071 | W | 86.1 | Confident | 88.8 | Confident | 49 Ų | 49 | 35.8 Ų | 35.8 | 19% | 0.186 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | -177.6 | 173.6 | -116.3 | 0 | 0 | 0 | 114.2 | I1066 I1074 L1075 L1093 E1094 R1097 | I1066-W1071 HydrophobicContact CD1-CE3 3.95Å; I1066-W1071 HydrophobicContact CD1-CZ3 3.94Å; I1066-W1071 HydrophobicContact CG1-CE3 4.2Å; I1066-W1071 HydrophobicContact CG2-CB 4.42Å; I1066-W1071 HydrophobicContact CG2-CE3 4.38Å; W1071-I1074 PolarHBondContact O-N 2.88Å; W1071-L1075 HydrophobicContact CD2-CB 4.43Å; W1071-L1075 HydrophobicContact CZ2-CB 4.21Å; W1071-L1075 HydrophobicContact CZ2-CD1 4.1Å; W1071-L1075 HydrophobicContact CZ2-CD2 4.01Å; W1071-L1075 HydrophobicContact CZ2-CG 4.33Å; W1071-L1075 WeakPolarHBondContact O-CB 3.33Å; W1071-L1075 PolarHBondContact O-N 2.71Å; W1071-L1093 HydrophobicContact CH2-CB 3.89Å; W1071-L1093 HydrophobicContact CZ3-CB 3.89Å; W1071-L1093 WeakPolarHBondContact CZ3-O 3.49Å; W1071-E1094 HydrophobicContact CH2-CG 4.3Å; W1071-R1097 HydrophobicContact CD2-CG 4.15Å; W1071-R1097 HydrophobicContact CE3-CB 3.89Å; W1071-R1097 HydrophobicContact CE3-CG 3.99Å; W1071-R1097 HydrophobicContact CH2-CB 4.35Å; W1071-R1097 HydrophobicContact CZ3-CB 3.8Å; W1071-R1097 HydrophobicContact CZ3-CG 4.31Å |
| 1072 | E | 87.3 | Confident | 88.6 | Confident | 123 Ų | 123 | 43.7 Ų | 43.7 | 58% | 0.575 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.5 | -46.5 | -169.1 | 168.3 | -177.6 | -147.1 | 0 | 0 | 114.3 | R1029 I1074 K1076 | R1029-E1072 IonicContact CZ-OE2 3.85Å; R1029-E1072 IonicContact NH2-OE2 3.93Å; R1029-E1072 PolarHBondContact NH2-OE2 3.05Å; E1072-I1074 PolarHBondContact O-N 2.88Å; E1072-K1076 WeakPolarHBondContact O-CB 3.35Å; E1072-K1076 PolarHBondContact O-N 2.79Å |
| 1073 | P | 85.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 48 Ų | 48 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.7 | -23.4 | 34.6 | 0 | 0 | 0 | 113.3 | A1032 T1036 K1076 S1077 | A1032-P1073 HydrophobicContact CB-CB 4.34Å; A1032-P1073 HydrophobicContact CB-CG 3.89Å; T1036-P1073 HydrophobicContact CG2-CB 4.36Å; T1036-P1073 WeakPolarHBondContact OG1-CB 3.25Å; P1073-K1076 WeakPolarHBondContact O-CB 3.42Å; P1073-K1076 PolarHBondContact O-N 3.34Å; P1073-S1077 PolarHBondContact O-N 3.3Å |
| 1074 | I | 89.2 | Confident | 88 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.3 | -44.5 | -178.2 | -63.2 | 173.5 | 0 | 0 | 0 | 110.4 | I1040 F1044 L1065 I1066 W1071 E1072 K1076 S1077 A1078 L1093 | I1040-I1074 HydrophobicContact CD1-CD1 4.47Å; I1040-I1074 HydrophobicContact CD1-CG1 4.21Å; I1040-I1074 HydrophobicContact CG1-CG1 4.33Å; I1040-I1074 HydrophobicContact CG2-CG2 4.36Å; F1044-I1074 HydrophobicContact CE1-CG2 4.5Å; F1044-I1074 HydrophobicContact CZ-CG2 4.05Å; L1065-I1074 HydrophobicContact CB-CD1 3.85Å; I1066-I1074 HydrophobicContact CB-CD1 4.36Å; I1066-I1074 HydrophobicContact CG1-CD1 3.72Å; W1071-I1074 PolarHBondContact O-N 2.88Å; E1072-I1074 PolarHBondContact O-N 2.88Å; I1074-K1076 VanDerWaalsContact C-N 3.33Å; I1074-K1076 PolarHBondContact O-N 3.34Å; I1074-S1077 WeakPolarHBondContact O-CB 3.3Å; I1074-S1077 PolarHBondContact O-N 3.36Å; I1074-A1078 PolarHBondContact O-N 2.64Å; I1074-L1093 HydrophobicContact CG2-CD1 4.48Å; I1074-L1093 HydrophobicContact CG2-CD2 3.55Å |
| 1075 | L | 88.5 | Confident | 87.9 | Confident | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 173 | -179.9 | 60.8 | 0 | 0 | 0 | 111.8 | W1071 S1077 A1078 N1079 | W1071-L1075 HydrophobicContact CD2-CB 4.43Å; W1071-L1075 HydrophobicContact CZ2-CB 4.21Å; W1071-L1075 HydrophobicContact CZ2-CD1 4.1Å; W1071-L1075 HydrophobicContact CZ2-CD2 4.01Å; W1071-L1075 HydrophobicContact CZ2-CG 4.33Å; W1071-L1075 WeakPolarHBondContact O-CB 3.33Å; W1071-L1075 PolarHBondContact O-N 2.71Å; L1075-S1077 VanDerWaalsContact C-N 3.31Å; L1075-S1077 PolarHBondContact O-N 3.41Å; L1075-A1078 PolarHBondContact O-N 2.96Å; L1075-N1079 WeakPolarHBondContact CD1-ND2 3.42Å; L1075-N1079 PolarHBondContact O-N 3.35Å; L1075-N1079 PolarHBondContact O-ND2 3.14Å |
| 1076 | K | 88 | Confident | 87.8 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 173.7 | -174.6 | -176 | 178.9 | -171 | 0 | 111.7 | E1072 P1073 I1074 | E1072-K1076 WeakPolarHBondContact O-CB 3.35Å; E1072-K1076 PolarHBondContact O-N 2.79Å; P1073-K1076 WeakPolarHBondContact O-CB 3.42Å; P1073-K1076 PolarHBondContact O-N 3.34Å; I1074-K1076 VanDerWaalsContact C-N 3.33Å; I1074-K1076 PolarHBondContact O-N 3.34Å |
| 1077 | S | 87.2 | Confident | 87.7 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 173.9 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | P1073 I1074 L1075 N1079 R1080 | P1073-S1077 PolarHBondContact O-N 3.3Å; I1074-S1077 WeakPolarHBondContact O-CB 3.3Å; I1074-S1077 PolarHBondContact O-N 3.36Å; L1075-S1077 VanDerWaalsContact C-N 3.31Å; L1075-S1077 PolarHBondContact O-N 3.41Å; S1077-N1079 VanDerWaalsContact C-N 3.27Å; S1077-N1079 PolarHBondContact O-N 3.19Å; S1077-R1080 WeakPolarHBondContact O-CB 3.38Å; S1077-R1080 PolarHBondContact O-N 3.38Å |
| 1078 | A | 87.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1044 I1074 L1075 R1080 L1081 L1093 | F1044-A1078 HydrophobicContact CE2-CB 3.79Å; F1044-A1078 HydrophobicContact CZ-CB 3.88Å; I1074-A1078 PolarHBondContact O-N 2.64Å; L1075-A1078 PolarHBondContact O-N 2.96Å; A1078-R1080 PolarHBondContact O-N 2.92Å; A1078-L1081 WeakPolarHBondContact O-CB 3.33Å; A1078-L1081 WeakPolarHBondContact O-CG 3.35Å; A1078-L1081 PolarHBondContact O-N 3.18Å; A1078-L1093 HydrophobicContact CB-CD1 3.59Å |
| 1079 | N | 88.9 | Confident | 87.8 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12 | 175.1 | -82.9 | -69.9 | 0 | 0 | 0 | 114.7 | L1075 S1077 K1086 | L1075-N1079 WeakPolarHBondContact CD1-ND2 3.42Å; L1075-N1079 PolarHBondContact O-N 3.35Å; L1075-N1079 PolarHBondContact O-ND2 3.14Å; S1077-N1079 VanDerWaalsContact C-N 3.27Å; S1077-N1079 PolarHBondContact O-N 3.19Å; N1079-K1086 VanDerWaalsContact OD1-CE 3.26Å; N1079-K1086 WeakPolarHBondContact OD1-CE 3.45Å; N1079-K1086 PolarHBondContact OD1-NZ 3.44Å |
| 1080 | R | 88 | Confident | 88 | Confident | 149 Ų | 149 | 63.4 Ų | 63.4 | 56% | 0.562 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.3 | 173.3 | -56.3 | -171.4 | -168.6 | -163 | 18.4 | 113.8 | E1037 S1077 A1078 | E1037-R1080 IonicContact OE1-CZ 3.02Å; E1037-R1080 IonicContact OE1-NH1 3.9Å; E1037-R1080 PolarHBondContact OE1-NH1 3.23Å; E1037-R1080 IonicContact OE1-NH2 2.66Å; E1037-R1080 PolarHBondContact OE1-NH2 3.21Å; E1037-R1080 IonicContact OE2-CZ 2.89Å; E1037-R1080 IonicContact OE2-NH2 2.66Å; E1037-R1080 PolarHBondContact OE2-NH2 2.93Å; S1077-R1080 WeakPolarHBondContact O-CB 3.38Å; S1077-R1080 PolarHBondContact O-N 3.38Å; A1078-R1080 PolarHBondContact O-N 2.92Å |
| 1081 | L | 87.6 | Confident | 88.2 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -68.1 | 155.1 | 178 | -64.9 | 172.6 | 0 | 0 | 0 | 111.6 | F1044 A1078 K1086 I1089 | F1044-L1081 HydrophobicContact CB-CD2 4.46Å; F1044-L1081 HydrophobicContact CD2-CD1 3.77Å; F1044-L1081 HydrophobicContact CD2-CD2 4.16Å; F1044-L1081 HydrophobicContact CD2-CG 4.21Å; F1044-L1081 HydrophobicContact CE2-CD1 4.24Å; F1044-L1081 HydrophobicContact CG-CD1 4.29Å; A1078-L1081 WeakPolarHBondContact O-CB 3.33Å; A1078-L1081 WeakPolarHBondContact O-CG 3.35Å; A1078-L1081 PolarHBondContact O-N 3.18Å; L1081-K1086 HydrophobicContact CB-CB 4.1Å; L1081-I1089 HydrophobicContact CD1-CB 4.3Å; L1081-I1089 HydrophobicContact CD1-CD1 3.92Å; L1081-I1089 HydrophobicContact CD1-CG2 4.34Å |
| 1082 | K | 89.3 | Confident | 88.4 | Confident | 165 Ų | 165 | 67.5 Ų | 67.5 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | trans | -60.8 | 145.4 | 168.2 | -64 | 175.3 | -177.3 | 172.8 | 0 | 109.1 | T1084 S1085 K1086 | K1082-T1084 VanDerWaalsContact C-N 3.33Å; K1082-T1084 PolarHBondContact O-N 2.94Å; K1082-T1084 VanDerWaalsContact O-N 3.15Å; K1082-S1085 PolarHBondContact O-N 3.3Å; K1082-K1086 PolarHBondContact O-N 2.84Å | ||
| 1083 | P | 86.5 | Confident | 88.6 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -46.5 | -50.6 | -175.4 | -31.5 | 36.1 | 0 | 0 | 0 | 114.1 | S1085 K1086 D1087 | P1083-S1085 VanDerWaalsContact C-N 3.35Å; P1083-S1085 PolarHBondContact O-N 3.34Å; P1083-K1086 WeakPolarHBondContact O-CA 3.41Å; P1083-K1086 VanDerWaalsContact O-CB 3.31Å; P1083-K1086 WeakPolarHBondContact O-CB 3.32Å; P1083-K1086 PolarHBondContact O-N 2.82Å; P1083-D1087 PolarHBondContact O-N 2.88Å |
| 1084 | T | 85.1 | Confident | 88.8 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 72% | 0.718 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.3 | -41.1 | 179.7 | -41.8 | 0 | 0 | 0 | 0 | 114.2 | K1082 S1088 | K1082-T1084 VanDerWaalsContact C-N 3.33Å; K1082-T1084 PolarHBondContact O-N 2.94Å; K1082-T1084 VanDerWaalsContact O-N 3.15Å; T1084-S1088 PolarHBondContact O-N 3.42Å; T1084-S1088 PolarHBondContact O-OG 3.36Å |
| 1085 | S | 88.3 | Confident | 88.9 | Confident | 27 Ų | 27 | 71 Ų | 71 | 19% | 0.189 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -81.5 | -16 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | E1048 K1082 P1083 S1088 I1089 | E1048-S1085 WeakPolarHBondContact OE1-CA 3.33Å; E1048-S1085 VanDerWaalsContact OE2-CB 3.25Å; E1048-S1085 WeakPolarHBondContact OE2-CB 3.34Å; E1048-S1085 PolarHBondContact OE2-OG 3.26Å; K1082-S1085 PolarHBondContact O-N 3.3Å; P1083-S1085 VanDerWaalsContact C-N 3.35Å; P1083-S1085 PolarHBondContact O-N 3.34Å; S1085-S1088 WeakPolarHBondContact CA-OG 3.17Å; S1085-S1088 PolarHBondContact O-OG 2.74Å; S1085-I1089 WeakPolarHBondContact O-CB 3.34Å; S1085-I1089 WeakPolarHBondContact O-CD1 3.39Å; S1085-I1089 WeakPolarHBondContact O-CG1 3.46Å; S1085-I1089 PolarHBondContact O-N 3.32Å |
| 1086 | K | 88 | Confident | 89 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -78.3 | -45.1 | 174 | -175.6 | -177.8 | 179.4 | 178.8 | 0 | 110.1 | N1079 L1081 K1082 P1083 S1088 I1089 I1090 | N1079-K1086 VanDerWaalsContact OD1-CE 3.26Å; N1079-K1086 WeakPolarHBondContact OD1-CE 3.45Å; N1079-K1086 PolarHBondContact OD1-NZ 3.44Å; L1081-K1086 HydrophobicContact CB-CB 4.1Å; K1082-K1086 PolarHBondContact O-N 2.84Å; P1083-K1086 WeakPolarHBondContact O-CA 3.41Å; P1083-K1086 VanDerWaalsContact O-CB 3.31Å; P1083-K1086 WeakPolarHBondContact O-CB 3.32Å; P1083-K1086 PolarHBondContact O-N 2.82Å; K1086-S1088 VanDerWaalsContact C-N 3.29Å; K1086-S1088 PolarHBondContact O-N 2.86Å; K1086-I1089 PolarHBondContact O-N 3.3Å; K1086-I1090 HydrophobicContact CD-CD1 4.26Å; K1086-I1090 HydrophobicContact CG-CD1 3.65Å; K1086-I1090 HydrophobicContact CG-CG1 4.21Å; K1086-I1090 WeakPolarHBondContact O-CG1 3.33Å; K1086-I1090 PolarHBondContact O-N 3.41Å |
| 1087 | D | 88.3 | Confident | 89.1 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.5 | -31.3 | -179.6 | -57.9 | -24.9 | 0 | 0 | 0 | 111.6 | P1083 P1091 | P1083-D1087 PolarHBondContact O-N 2.88Å; D1087-P1091 WeakPolarHBondContact O-CD 3.49Å |
| 1088 | S | 87.5 | Confident | 89.1 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.9 | -38.1 | 172.5 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | E1048 T1084 S1085 K1086 H1092 | E1048-S1088 PolarHBondContact OE1-OG 2.87Å; T1084-S1088 PolarHBondContact O-N 3.42Å; T1084-S1088 PolarHBondContact O-OG 3.36Å; S1085-S1088 WeakPolarHBondContact CA-OG 3.17Å; S1085-S1088 PolarHBondContact O-OG 2.74Å; K1086-S1088 VanDerWaalsContact C-N 3.29Å; K1086-S1088 PolarHBondContact O-N 2.86Å; S1088-H1092 PolarHBondContact O-CD2 2.7Å; S1088-H1092 VanDerWaalsContact O-CD2 3.28Å |
| 1089 | I | 91.7 | Very high | 89 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -91.5 | -30.1 | -169.1 | -71 | 177.9 | 0 | 0 | 0 | 113.8 | F1044 L1047 E1048 L1081 S1085 K1086 H1092 L1093 | F1044-I1089 HydrophobicContact CB-CD1 3.65Å; F1044-I1089 HydrophobicContact CD1-CD1 4.37Å; F1044-I1089 HydrophobicContact CD1-CG2 3.78Å; F1044-I1089 HydrophobicContact CE1-CG2 3.87Å; F1044-I1089 HydrophobicContact CG-CD1 4.08Å; F1044-I1089 HydrophobicContact CG-CG2 4.23Å; F1044-I1089 HydrophobicContact CZ-CG2 4.38Å; F1044-I1089 WeakPolarHBondContact O-CD1 3.48Å; L1047-I1089 HydrophobicContact CB-CD1 4.34Å; L1047-I1089 HydrophobicContact CB-CG1 4.32Å; L1047-I1089 HydrophobicContact CD1-CB 4.47Å; L1047-I1089 HydrophobicContact CD1-CD1 4.2Å; L1047-I1089 HydrophobicContact CD1-CG1 3.98Å; L1047-I1089 HydrophobicContact CD1-CG2 3.89Å; E1048-I1089 HydrophobicContact CG-CD1 4.24Å; L1081-I1089 HydrophobicContact CD1-CB 4.3Å; L1081-I1089 HydrophobicContact CD1-CD1 3.92Å; L1081-I1089 HydrophobicContact CD1-CG2 4.34Å; S1085-I1089 WeakPolarHBondContact O-CB 3.34Å; S1085-I1089 WeakPolarHBondContact O-CD1 3.39Å; S1085-I1089 WeakPolarHBondContact O-CG1 3.46Å; S1085-I1089 PolarHBondContact O-N 3.32Å; K1086-I1089 PolarHBondContact O-N 3.3Å; I1089-H1092 PolarHBondContact O-N 3.46Å; I1089-L1093 HydrophobicContact CG2-CD1 3.83Å; I1089-L1093 HydrophobicContact CG2-CG 4.13Å; I1089-L1093 PolarHBondContact O-N 3.35Å |
| 1090 | I | 91.6 | Very high | 88.8 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.5 | -46.2 | -179.9 | -78.3 | 177.6 | 0 | 0 | 0 | 113.3 | K1086 H1092 L1093 E1094 | K1086-I1090 HydrophobicContact CD-CD1 4.26Å; K1086-I1090 HydrophobicContact CG-CD1 3.65Å; K1086-I1090 HydrophobicContact CG-CG1 4.21Å; K1086-I1090 WeakPolarHBondContact O-CG1 3.33Å; K1086-I1090 PolarHBondContact O-N 3.41Å; I1090-H1092 VanDerWaalsContact C-N 3.28Å; I1090-H1092 PolarHBondContact O-N 2.93Å; I1090-L1093 WeakPolarHBondContact O-CB 3.42Å; I1090-L1093 PolarHBondContact O-N 2.83Å; I1090-E1094 HydrophobicContact CG2-CG 4.19Å; I1090-E1094 PolarHBondContact O-N 3.17Å |
| 1091 | P | 91.7 | Very high | 88.5 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 179.4 | -26.4 | 35.9 | 0 | 0 | 0 | 113.8 | D1087 K1095 | D1087-P1091 WeakPolarHBondContact O-CD 3.49Å; P1091-K1095 WeakPolarHBondContact O-CB 3.11Å; P1091-K1095 PolarHBondContact O-N 3.26Å; P1091-K1095 VanDerWaalsContact O-N 3.12Å |
| 1092 | H | 90.6 | Very high | 87.9 | Confident | 66 Ų | 66 | 73.7 Ų | 73.7 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 175 | -64.9 | -70 | 0 | 0 | 0 | 112 | Q1059 L1062 S1088 I1089 I1090 A1096 | Q1059-H1092 PolarHBondContact NE2-ND1 3.28Å; Q1059-H1092 VanDerWaalsContact NE2-ND1 3.15Å; L1062-H1092 HydrophobicContact CD1-CB 3.93Å; S1088-H1092 PolarHBondContact O-CD2 2.7Å; S1088-H1092 VanDerWaalsContact O-CD2 3.28Å; I1089-H1092 PolarHBondContact O-N 3.46Å; I1090-H1092 VanDerWaalsContact C-N 3.28Å; I1090-H1092 PolarHBondContact O-N 2.93Å; H1092-A1096 VanDerWaalsContact O-CB 3.27Å; H1092-A1096 WeakPolarHBondContact O-CB 3.35Å; H1092-A1096 PolarHBondContact O-N 3.47Å |
| 1093 | L | 90.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 176.7 | -76 | 173.3 | 0 | 0 | 0 | 112.7 | F1044 L1062 I1066 W1071 I1074 A1078 I1089 I1090 A1096 R1097 | F1044-L1093 HydrophobicContact CE1-CD1 3.99Å; F1044-L1093 HydrophobicContact CE1-CD2 4Å; F1044-L1093 HydrophobicContact CE1-CG 4.31Å; F1044-L1093 HydrophobicContact CZ-CD1 3.81Å; F1044-L1093 HydrophobicContact CZ-CD2 4.33Å; L1062-L1093 HydrophobicContact CD1-CD2 4.29Å; L1062-L1093 HydrophobicContact CD2-CD2 4.13Å; I1066-L1093 HydrophobicContact CD1-CD2 4.48Å; W1071-L1093 HydrophobicContact CH2-CB 3.89Å; W1071-L1093 HydrophobicContact CZ3-CB 3.89Å; W1071-L1093 WeakPolarHBondContact CZ3-O 3.49Å; I1074-L1093 HydrophobicContact CG2-CD1 4.48Å; I1074-L1093 HydrophobicContact CG2-CD2 3.55Å; A1078-L1093 HydrophobicContact CB-CD1 3.59Å; I1089-L1093 HydrophobicContact CG2-CD1 3.83Å; I1089-L1093 HydrophobicContact CG2-CG 4.13Å; I1089-L1093 PolarHBondContact O-N 3.35Å; I1090-L1093 WeakPolarHBondContact O-CB 3.42Å; I1090-L1093 PolarHBondContact O-N 2.83Å; L1093-A1096 PolarHBondContact O-N 2.82Å; L1093-R1097 WeakPolarHBondContact O-CB 3.21Å; L1093-R1097 PolarHBondContact O-N 3.38Å |
| 1094 | E | 91.4 | Very high | 85.3 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 177.9 | -68.8 | -179.3 | 146.4 | 0 | 0 | 111.1 | W1071 I1090 A1096 R1097 E1098 | W1071-E1094 HydrophobicContact CH2-CG 4.3Å; I1090-E1094 HydrophobicContact CG2-CG 4.19Å; I1090-E1094 PolarHBondContact O-N 3.17Å; E1094-A1096 VanDerWaalsContact C-N 3.29Å; E1094-A1096 PolarHBondContact O-N 2.93Å; E1094-R1097 WeakPolarHBondContact O-CB 3.23Å; E1094-R1097 PolarHBondContact O-N 3.01Å; E1094-R1097 VanDerWaalsContact O-N 3.09Å; E1094-E1098 WeakPolarHBondContact O-CG 3.3Å; E1094-E1098 PolarHBondContact O-N 3.24Å |
| 1095 | K | 90.8 | Very high | 83.1 | Confident | 123 Ų | 123 | 69.4 Ų | 69.4 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 173.2 | -170.8 | 166.3 | -173.9 | 165.4 | 0 | 112.7 | P1091 S1099 | P1091-K1095 WeakPolarHBondContact O-CB 3.11Å; P1091-K1095 PolarHBondContact O-N 3.26Å; P1091-K1095 VanDerWaalsContact O-N 3.12Å; K1095-S1099 PolarHBondContact O-N 3.25Å |
| 1096 | A | 90.5 | Very high | 80.5 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1062 P1063 I1066 H1092 L1093 E1094 S1099 V1100 | L1062-A1096 HydrophobicContact CB-CB 3.56Å; L1062-A1096 HydrophobicContact CD1-CB 4.4Å; P1063-A1096 HydrophobicContact CG-CB 4.01Å; I1066-A1096 HydrophobicContact CD1-CB 3.69Å; H1092-A1096 VanDerWaalsContact O-CB 3.27Å; H1092-A1096 WeakPolarHBondContact O-CB 3.35Å; H1092-A1096 PolarHBondContact O-N 3.47Å; L1093-A1096 PolarHBondContact O-N 2.82Å; E1094-A1096 VanDerWaalsContact C-N 3.29Å; E1094-A1096 PolarHBondContact O-N 2.93Å; A1096-S1099 PolarHBondContact O-N 3.15Å; A1096-S1099 PolarHBondContact O-OG 3.26Å; A1096-V1100 PolarHBondContact O-N 2.85Å |
| 1097 | R | 90.1 | Very high | 77.9 | Confident | 125 Ų | 125 | 77 Ų | 77 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.8 | -179.3 | -167.8 | 176 | -163.4 | -5.9 | 112.3 | I1066 W1071 L1093 E1094 S1099 V1100 A1101 | I1066-R1097 HydrophobicContact CD1-CB 4.3Å; W1071-R1097 HydrophobicContact CD2-CG 4.15Å; W1071-R1097 HydrophobicContact CE3-CB 3.89Å; W1071-R1097 HydrophobicContact CE3-CG 3.99Å; W1071-R1097 HydrophobicContact CH2-CB 4.35Å; W1071-R1097 HydrophobicContact CZ3-CB 3.8Å; W1071-R1097 HydrophobicContact CZ3-CG 4.31Å; L1093-R1097 WeakPolarHBondContact O-CB 3.21Å; L1093-R1097 PolarHBondContact O-N 3.38Å; E1094-R1097 WeakPolarHBondContact O-CB 3.23Å; E1094-R1097 PolarHBondContact O-N 3.01Å; E1094-R1097 VanDerWaalsContact O-N 3.09Å; R1097-S1099 VanDerWaalsContact C-N 3.33Å; R1097-S1099 PolarHBondContact O-N 3.13Å; R1097-V1100 PolarHBondContact O-N 2.9Å; R1097-A1101 PolarHBondContact O-N 3.42Å |
| 1098 | E | 86.7 | Confident | 74.9 | Confident | 124 Ų | 124 | 80 Ų | 80 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 175.1 | -71.9 | 175 | 165.9 | 0 | 0 | 111.6 | E1094 V1100 A1101 N1102 | E1094-E1098 WeakPolarHBondContact O-CG 3.3Å; E1094-E1098 PolarHBondContact O-N 3.24Å; E1098-V1100 VanDerWaalsContact C-N 3.28Å; E1098-V1100 PolarHBondContact O-N 3.34Å; E1098-A1101 PolarHBondContact O-N 3.38Å; E1098-A1101 VanDerWaalsContact O-N 3.13Å; E1098-N1102 VanDerWaalsContact O-CG 3.32Å; E1098-N1102 PolarHBondContact O-N 2.89Å |
| 1099 | S | 85.7 | Confident | 71.9 | Confident | 55 Ų | 55 | 85.3 Ų | 85.3 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -33.1 | 177.4 | 75.2 | 0 | 0 | 0 | 0 | 113.6 | P1063 K1095 A1096 R1097 | P1063-S1099 WeakPolarHBondContact CB-OG 3.38Å; P1063-S1099 WeakPolarHBondContact CG-OG 3.35Å; K1095-S1099 PolarHBondContact O-N 3.25Å; A1096-S1099 PolarHBondContact O-N 3.15Å; A1096-S1099 PolarHBondContact O-OG 3.26Å; R1097-S1099 VanDerWaalsContact C-N 3.33Å; R1097-S1099 PolarHBondContact O-N 3.13Å |
| 1100 | V | 85.3 | Confident | 68.7 | Low | 15 Ų | 15 | 93.2 Ų | 93.2 | 9% | 0.091 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -78.1 | -29.9 | 174.8 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | L1025 P1063 I1066 Q1067 A1096 R1097 E1098 S1103 | L1025-V1100 HydrophobicContact CD1-CG1 3.93Å; P1063-V1100 HydrophobicContact CB-CG2 3.85Å; P1063-V1100 VanDerWaalsContact O-CG2 3.26Å; P1063-V1100 WeakPolarHBondContact O-CG2 3.42Å; I1066-V1100 HydrophobicContact CB-CG2 4.33Å; I1066-V1100 HydrophobicContact CG2-CB 4.46Å; I1066-V1100 HydrophobicContact CG2-CG2 4.27Å; Q1067-V1100 HydrophobicContact CB-CG1 4.15Å; Q1067-V1100 HydrophobicContact CB-CG2 4.34Å; A1096-V1100 PolarHBondContact O-N 2.85Å; R1097-V1100 PolarHBondContact O-N 2.9Å; E1098-V1100 VanDerWaalsContact C-N 3.28Å; E1098-V1100 PolarHBondContact O-N 3.34Å; V1100-S1103 PolarHBondContact O-OG 3.43Å |
| 1101 | A | 80.9 | Confident | 65.6 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1097 E1098 S1103 H1104 | R1097-A1101 PolarHBondContact O-N 3.42Å; E1098-A1101 PolarHBondContact O-N 3.38Å; E1098-A1101 VanDerWaalsContact O-N 3.13Å; A1101-S1103 PolarHBondContact O-N 2.89Å; A1101-H1104 PolarHBondContact O-N 3.5Å |
| 1102 | N | 75.6 | Confident | 62.3 | Low | 137 Ų | 137 | 103.3 Ų | 103.3 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.2 | -19.3 | -177.8 | -70 | -14 | 0 | 0 | 0 | 113.8 | E1098 | E1098-N1102 VanDerWaalsContact O-CG 3.32Å; E1098-N1102 PolarHBondContact O-N 2.89Å |
| 1103 | S | 67.7 | Low | 59.3 | Low | 63 Ų | 63 | 106.8 Ų | 106.8 | 44% | 0.441 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -11.7 | 178.2 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | V1100 A1101 | V1100-S1103 PolarHBondContact O-OG 3.43Å; A1101-S1103 PolarHBondContact O-N 2.89Å |
| 1104 | H | 53.4 | Low | 56.5 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 48% | 0.477 | 61% | 0.612 | S | S | . | * | trans | -136.2 | 70.7 | -173.2 | -70.3 | -58 | 0 | 0 | 0 | 114 | A1101 | A1101-H1104 PolarHBondContact O-N 3.5Š| ||
| 1105 | P | 38.2 | Very low | 53.9 | Low | 119 Ų | 119 | 113 Ų | 113 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | trans | -68.3 | 130.2 | 170.4 | 29.2 | -34.1 | 0 | 0 | 0 | 111.4 | ||||
| 1106 | S | 34.7 | Very low | 52 | Low | 127 Ų | 127 | 112.8 Ų | 112.8 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | trans | -86.1 | 142.3 | -175.3 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1107 | S | 33.7 | Very low | 49.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -110.7 | 125.8 | -175.8 | 59.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1108 | M | 25.1 | Very low | 46 | Very low | 176 Ų | 176 | 121.2 Ų | 121.2 | 87% | 0.867 | 69% | 0.694 | S | S | * | * | trans | -164.2 | 114.6 | 158.4 | -114.4 | 175.4 | 67.6 | 0 | 0 | 111.1 | ||||
| 1109 | E | 23.7 | Very low | 43.2 | Very low | 157 Ų | 157 | 122 Ų | 122 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | -179.4 | 129.8 | 123.3 | -89.8 | -136.4 | 122.3 | 0 | 0 | 114.2 | |||||
| 1110 | K | 25.4 | Very low | 40.2 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | trans | -11.8 | 139.3 | 160.7 | -55.3 | 148.5 | -172.4 | 154.4 | 0 | 119.1 | ||||
| 1111 | K | 25.3 | Very low | 37.2 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | -172.9 | 119.7 | 114.4 | -104 | 159.2 | -174.1 | 167.5 | 0 | 117.4 | |||||
| 1112 | T | 23.6 | Very low | 34.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 37.6 | 127.8 | 135.6 | 55 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1113 | V | 26.2 | Very low | 32.1 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -65.4 | 150.9 | 168.1 | 172.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1114 | S | 31.6 | Very low | 30 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -149.3 | 156.7 | 146.7 | 57 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1115 | P | 38.7 | Very low | 28.6 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | trans | -124.1 | -160.8 | -151.7 | 49.4 | -34.8 | 0 | 0 | 0 | 112.9 | ||||
| 1116 | P | 50.6 | Low | 28.1 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | -126.8 | 170.8 | -116.2 | 26.1 | -1 | 0 | 0 | 0 | 116.1 | |||||
| 1117 | K | 29 | Very low | 28.5 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -136.7 | 150.8 | 159.5 | -74.4 | -172.2 | 176.4 | 176.2 | 0 | 110.4 | ||||
| 1118 | A | 25.3 | Very low | 28.1 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -115.6 | 163.6 | -164 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1119 | V | 26.8 | Very low | 29 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | 162.4 | 105.5 | 131.3 | 161 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1120 | R | 22.5 | Very low | 29 | Very low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | 37.9 | 104.3 | 134.7 | -161.3 | -179.8 | -168.4 | 166.4 | 3.4 | 121.9 | ||||
| 1121 | G | 23.4 | Very low | 29 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | 107.5 | 144.4 | 120.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1122 | G | 23.8 | Very low | 28.8 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 139.9 | 108.5 | 161 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1123 | N | 24.7 | Very low | 28.9 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -29.4 | 142.5 | 177.7 | -64.3 | -3.7 | 0 | 0 | 0 | 118.8 | ||||
| 1124 | G | 23.8 | Very low | 29.9 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -98.2 | -166.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1125 | T | 25.7 | Very low | 29.4 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -158 | 160.2 | 154.2 | -68.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1126 | R | 25.9 | Very low | 28.8 | Very low | 234 Ų | 234 | 137.6 Ų | 137.6 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 148.8 | -162.9 | -170.6 | 177.7 | -179.4 | 173.3 | 0.6 | 114.6 | ||||
| 1127 | P | 43.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -99.6 | 168.8 | -177.2 | 39.2 | -37 | 0 | 0 | 0 | 115.4 | ||||
| 1128 | Q | 26.3 | Very low | 27.4 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -143.1 | 161.7 | 162.3 | -95.2 | -80.6 | -65.6 | 0 | 0 | 108.3 | ||||
| 1129 | P | 43.6 | Very low | 27.5 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -119 | 168.6 | -131.1 | 42.3 | -36.6 | 0 | 0 | 0 | 116.6 | ||||
| 1130 | S | 22.8 | Very low | 27.5 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -147.3 | 91.4 | 163.9 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | N1132 | S1130-N1132 PolarHBondContact O-N 3.16Š| ||
| 1131 | S | 25.9 | Very low | 27.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -80.9 | 108.6 | 169.8 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1132 | N | 21.8 | Very low | 27.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -93.5 | 171.2 | 171.3 | -86.8 | -22.2 | 0 | 0 | 0 | 111.4 | S1130 | S1130-N1132 PolarHBondContact O-N 3.16Š| ||
| 1133 | A | 24.6 | Very low | 27.5 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 87.9 | 151.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1134 | P | 48 | Very low | 27.4 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -128.9 | -133.7 | -156.4 | 38.9 | -15.9 | 0 | 0 | 0 | 111.6 | ||||
| 1135 | E | 21.7 | Very low | 27.3 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 76 | 142.9 | 174.8 | -65.4 | 164.9 | -143.1 | 0 | 0 | 114.4 | ||||
| 1136 | N | 25 | Very low | 27.1 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | cis | -139.1 | 175.9 | 5.7 | -108.5 | -32.1 | 0 | 0 | 0 | 113.6 | ||||
| 1137 | S | 27.6 | Very low | 27 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | -106.5 | -157.7 | -173.2 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1138 | E | 23.1 | Very low | 25.9 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 87.4 | 115 | 172.3 | -59 | 162.5 | -150.3 | 0 | 0 | 114.7 | ||||
| 1139 | E | 28 | Very low | 25.8 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | cis | 73.8 | 124.8 | 39.1 | -59.2 | -159.6 | 144.6 | 0 | 0 | 116 | ||||
| 1140 | S | 25.3 | Very low | 24.9 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 160 | 125.8 | 133 | -77.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1141 | E | 24.5 | Very low | 24.9 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -163.5 | 118.2 | 146.2 | -130.9 | 176 | -115 | 0 | 0 | 111.3 | ||||
| 1142 | N | 22.7 | Very low | 24.9 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 51.6 | 131.2 | 157 | -62.4 | -32.6 | 0 | 0 | 0 | 120.6 | ||||
| 1143 | A | 24 | Very low | 26.3 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -161.7 | 145.7 | 14.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1144 | T | 21.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | 56.2 | 123.6 | 148.8 | 41.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1145 | Q | 21.9 | Very low | 25.1 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 72.9 | 139.2 | 144.4 | -63.3 | 171.7 | 17.2 | 0 | 0 | 118.6 | ||||
| 1146 | S | 21.3 | Very low | 25.1 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -167.3 | 155.9 | -11.3 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1147 | S | 22.8 | Very low | 25 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 61.2 | 146.7 | 158.5 | 59.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1148 | D | 21.1 | Very low | 24.7 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -161.7 | 165.7 | -18.6 | -121.2 | -31.8 | 0 | 0 | 0 | 112 | ||||
| 1149 | I | 24.5 | Very low | 24.7 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 33 | 118.4 | 150.2 | -51 | 153.4 | 0 | 0 | 0 | 119.2 | ||||
| 1150 | T | 24.8 | Very low | 24.3 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | 177.2 | 140.1 | 106.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1151 | S | 23 | Very low | 24.4 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -105.2 | 153.9 | 173.8 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1152 | K | 26.4 | Very low | 24.3 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | 173.5 | 165.6 | 126.1 | -95.6 | 171.7 | -179.9 | 180 | 0 | 115.2 | |||||
| 1153 | P | 49.8 | Very low | 24.5 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -120.6 | -179.7 | -166.4 | 44.8 | -34.6 | 0 | 0 | 0 | 115.4 | ||||
| 1154 | V | 26.9 | Very low | 24.4 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 178.6 | 133.1 | 145.6 | 143.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1155 | S | 20.8 | Very low | 24.6 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | cis | 101.8 | 144.8 | 27.5 | -164.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1156 | E | 22.7 | Very low | 24.5 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 74.9 | 153.1 | 169.1 | -49.8 | -155.2 | 167.5 | 0 | 0 | 120.6 | ||||
| 1157 | T | 22.7 | Very low | 24.7 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | cis | -155.1 | 151.3 | -38.2 | 37.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1158 | K | 21.8 | Very low | 24.7 | Very low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 14.8 | 125.7 | 146.5 | -59.3 | 167.2 | 179.1 | 167.8 | 0 | 121.7 | ||||
| 1159 | K | 21.9 | Very low | 24.8 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | 172.8 | 135.5 | 117.6 | -90.2 | 155 | -174.9 | 174.4 | 0 | 108.8 | |||||
| 1160 | K | 20.7 | Very low | 24.7 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | cis | 87.1 | 104.9 | 38.8 | -164.3 | -163.1 | -171.5 | -168.8 | 0 | 114.3 | ||||
| 1161 | T | 25.7 | Very low | 24.6 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -166.1 | 148 | 148.1 | 22.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1162 | D | 22.4 | Very low | 24.6 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -108.5 | 148.8 | -176.1 | -54.7 | -103.1 | 0 | 0 | 0 | 113.5 | ||||
| 1163 | T | 27.9 | Very low | 24.4 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 173.1 | 130.9 | 139 | 23.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1164 | K | 21.3 | Very low | 23.3 | Very low | 198 Ų | 198 | 147 Ų | 147 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | cis | 92.1 | 80.1 | 22.1 | -159.8 | 179.6 | -174.8 | 177.1 | 0 | 115.1 | ||||
| 1165 | K | 26.6 | Very low | 23.9 | Very low | 214 Ų | 214 | 147 Ų | 147 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -156 | -177.3 | 153.8 | -107.3 | 157.1 | -171.9 | 176.4 | 0 | 110.6 | ||||
| 1166 | S | 20.6 | Very low | 24 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | -170.6 | -167.2 | -127.2 | -166.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1167 | I | 24.8 | Very low | 24.2 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 72% | 0.723 | 80% | 0.802 | S | S | * | * | trans | 83.7 | 89.1 | 163.7 | -53.2 | -174.9 | 0 | 0 | 0 | 118.1 | ||||
| 1168 | N | 21.6 | Very low | 24.4 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | 70 | 144.9 | 117.3 | -68.6 | -2 | 0 | 0 | 0 | 126.9 | |||||
| 1169 | T | 24.2 | Very low | 24.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | 79.6 | 87.6 | 136.9 | 44.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 1170 | S | 22.3 | Very low | 25.4 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | 63.4 | 144.3 | 105.7 | 76.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1171 | K | 22.8 | Very low | 26.7 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | 96.7 | 99.1 | 152.7 | -68.1 | -179.8 | 178.6 | 172.5 | 0 | 120.5 | ||||
| 1172 | K | 23 | Very low | 28.5 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 88.7 | 138.4 | 112.9 | -156.5 | -171 | -178.6 | -170 | 0 | 120.1 | |||||
| 1173 | S | 22.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 70.6 | 131.6 | 156.1 | 37 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1174 | G | 25.4 | Very low | 34.2 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | 116 | 109.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1175 | P | 40 | Very low | 37.3 | Very low | 135 Ų | 135 | 119 Ų | 119 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | trans | -95.1 | 96.3 | 167 | 34.1 | -26.5 | 0 | 0 | 0 | 110.3 | ||||
| 1176 | E | 23.7 | Very low | 40.2 | Very low | 184 Ų | 184 | 111.1 Ų | 111.1 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | trans | -101.5 | 165.8 | 167.1 | -73.8 | -168.9 | 126.4 | 0 | 0 | 111.7 | ||||
| 1177 | L | 26.1 | Very low | 43.4 | Very low | 162 Ų | 162 | 108.1 Ų | 108.1 | 85% | 0.848 | 63% | 0.631 | S | S | * | * | trans | -63.4 | 146.1 | -152.7 | -72.7 | 71.2 | 0 | 0 | 0 | 114.2 | T1179 | L1177-T1179 PolarHBondContact O-N 3.28Š| ||
| 1178 | A | 26.3 | Very low | 46.4 | Very low | 100 Ų | 100 | 107 Ų | 107 | 83% | 0.826 | 62% | 0.621 | S | S | * | * | trans | -65.2 | 114.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1180 | A1178-T1180 PolarHBondContact O-N 3.34Š| ||
| 1179 | T | 29.3 | Very low | 49.5 | Very low | 133 Ų | 133 | 104.7 Ų | 104.7 | 82% | 0.816 | 62% | 0.616 | S | S | * | * | trans | -64.2 | 124.7 | 163.3 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | L1177 S1181 | L1177-T1179 PolarHBondContact O-N 3.28Å; T1179-S1181 PolarHBondContact O-N 3.09Å | ||
| 1180 | T | 35.2 | Very low | 52.6 | Low | 135 Ų | 135 | 99.7 Ų | 99.7 | 83% | 0.828 | 59% | 0.586 | S | S | * | * | trans | -58.5 | 101.7 | -172.7 | -41.1 | 0 | 0 | 0 | 0 | 112.9 | A1178 I1182 | A1178-T1180 PolarHBondContact O-N 3.34Å; T1180-I1182 PolarHBondContact O-N 3.29Å | ||
| 1181 | S | 48.5 | Very low | 56 | Low | 101 Ų | 101 | 97 Ų | 97 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -74.2 | 103.8 | 172.9 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | T1179 I1183 | T1179-S1181 PolarHBondContact O-N 3.09Å; S1181-I1183 PolarHBondContact O-N 3Å | ||
| 1182 | I | 63.2 | Low | 59.1 | Low | 73 Ų | 73 | 91.1 Ų | 91.1 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | trans | -57 | 122.1 | -178.3 | -59.2 | 175.7 | 0 | 0 | 0 | 110.4 | T1180 L1184 | T1180-I1182 PolarHBondContact O-N 3.29Å; I1182-L1184 VanDerWaalsContact C-N 3.33Å; I1182-L1184 WeakPolarHBondContact CG2-O 3.48Å; I1182-L1184 PolarHBondContact O-N 3.42Å | ||
| 1183 | I | 84.1 | Confident | 62.3 | Low | 58 Ų | 58 | 84.9 Ų | 84.9 | 30% | 0.297 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -64.5 | -33.7 | -170.4 | -73.9 | 174 | 0 | 0 | 0 | 113.2 | S1181 A1229 F1232 | S1181-I1183 PolarHBondContact O-N 3Å; I1183-A1229 WeakPolarHBondContact O-CB 3.42Å; I1183-A1229 PolarHBondContact O-N 3.02Å; I1183-F1232 HydrophobicContact CG2-CB 3.47Å; I1183-F1232 VanDerWaalsContact CG2-CB 3.47Å; I1183-F1232 HydrophobicContact CG2-CD1 3.22Å; I1183-F1232 HydrophobicContact CG2-CD2 4.02Å; I1183-F1232 HydrophobicContact CG2-CE1 3.92Å; I1183-F1232 HydrophobicContact CG2-CG 3.29Å |
| 1184 | L | 87.5 | Confident | 65.7 | Low | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -143.4 | 112.7 | 173.8 | 176.9 | 65.2 | 0 | 0 | 0 | 108 | I1182 A1226 T1228 F1232 L1254 A1263 N1267 I1271 | I1182-L1184 VanDerWaalsContact C-N 3.33Å; I1182-L1184 WeakPolarHBondContact CG2-O 3.48Å; I1182-L1184 PolarHBondContact O-N 3.42Å; L1184-A1226 HydrophobicContact CD1-CB 4.39Å; L1184-T1228 HydrophobicContact CD1-CG2 4.34Å; L1184-T1228 VanDerWaalsContact CD1-OG1 3.31Å; L1184-T1228 WeakPolarHBondContact CD1-OG1 3.25Å; L1184-F1232 HydrophobicContact CB-CE1 4.42Å; L1184-L1254 HydrophobicContact CB-CD2 4.12Å; L1184-L1254 HydrophobicContact CD2-CD2 4.45Å; L1184-A1263 VanDerWaalsContact O-CB 3.22Å; L1184-A1263 WeakPolarHBondContact O-CB 3.27Å; L1184-N1267 HydrophobicContact CD1-CB 4.49Å; L1184-N1267 HydrophobicContact CD2-CB 3.96Å; L1184-N1267 HydrophobicContact CG-CB 4.41Å; L1184-I1271 HydrophobicContact CD2-CD1 3.93Å; L1184-I1271 HydrophobicContact CD2-CG1 4.4Å |
| 1185 | P | 86.5 | Confident | 68.7 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 22% | 0.221 | 47% | 0.466 | C | S | . | . | trans | -86 | 156.9 | -170.7 | 31.7 | -35.6 | 0 | 0 | 0 | 114 | N1187 G1227 N1267 | P1185-N1187 PolarHBondContact O-N 2.88Å; P1185-G1227 WeakPolarHBondContact CD-O 3.29Å; P1185-G1227 WeakPolarHBondContact CG-O 3.3Å; P1185-N1267 PolarHBondContact O-ND2 3.36Å | ||
| 1186 | P | 86.3 | Confident | 71.1 | Confident | 50 Ų | 50 | 76 Ų | 76 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | trans | -74.3 | 58.1 | 179.5 | 31.1 | -35.8 | 0 | 0 | 0 | 113.5 | K1188 A1263 I1266 | P1186-K1188 PolarHBondContact O-N 2.93Å; P1186-A1263 HydrophobicContact CB-CB 4.03Å; P1186-I1266 HydrophobicContact CB-CD1 3.45Å; P1186-I1266 VanDerWaalsContact CB-CD1 3.45Å | ||
| 1187 | N | 87.6 | Confident | 74.3 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | trans | -80.8 | 82.3 | -170.3 | -167 | -16.5 | 0 | 0 | 0 | 113.6 | P1185 S1189 A1190 K1191 A1226 | P1185-N1187 PolarHBondContact O-N 2.88Å; N1187-S1189 VanDerWaalsContact C-N 3.31Å; N1187-S1189 PolarHBondContact O-N 2.73Å; N1187-S1189 PolarHBondContact OD1-OG 3.43Å; N1187-A1190 HydrophobicContact CB-CB 3.97Å; N1187-A1190 WeakPolarHBondContact ND2-CB 3.42Å; N1187-A1190 PolarHBondContact O-N 2.8Å; N1187-A1190 WeakPolarHBondContact OD1-CB 3.45Å; N1187-A1190 PolarHBondContact OD1-N 2.85Å; N1187-K1191 PolarHBondContact O-N 2.96Å; N1187-K1191 VanDerWaalsContact O-N 3.11Å; N1187-A1226 VanDerWaalsContact CB-O 3.29Å; N1187-A1226 WeakPolarHBondContact CB-O 3.43Å; N1187-A1226 PolarHBondContact ND2-O 3.12Å; N1187-A1226 VanDerWaalsContact ND2-O 3.08Å | ||
| 1188 | K | 88.3 | Confident | 77.1 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.7 | -31.2 | -179.4 | -63.8 | 175.4 | -175.7 | 169.4 | 0 | 113.7 | P1186 S1192 E1262 I1266 | P1186-K1188 PolarHBondContact O-N 2.93Å; K1188-S1192 WeakPolarHBondContact O-CB 3.32Å; K1188-S1192 PolarHBondContact O-N 3.43Å; K1188-S1192 VanDerWaalsContact O-N 3.11Å; K1188-S1192 PolarHBondContact O-OG 2.89Å; K1188-E1262 WeakPolarHBondContact CE-OE1 3.5Å; K1188-E1262 IonicContact NZ-OE1 2.62Å; K1188-E1262 PolarHBondContact NZ-OE1 2.94Å; K1188-I1266 HydrophobicContact CD-CD1 4.25Å; K1188-I1266 VanDerWaalsContact CE-CD1 3.4Å; K1188-I1266 HydrophobicContact CG-CD1 3.72Å; K1188-I1266 HydrophobicContact CG-CG1 4.15Å; K1188-I1266 HydrophobicContact CG-CG2 4.34Å |
| 1189 | S | 87 | Confident | 79.9 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 63% | 0.629 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -74.2 | -37.9 | 176.3 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | N1187 S1192 S1193 | N1187-S1189 VanDerWaalsContact C-N 3.31Å; N1187-S1189 PolarHBondContact O-N 2.73Å; N1187-S1189 PolarHBondContact OD1-OG 3.43Å; S1189-S1192 WeakPolarHBondContact O-CB 3.14Å; S1189-S1192 PolarHBondContact O-N 3.25Å; S1189-S1193 PolarHBondContact O-N 3.29Å |
| 1190 | A | 89.9 | Confident | 82.8 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1187 S1192 S1193 R1194 | N1187-A1190 HydrophobicContact CB-CB 3.97Å; N1187-A1190 WeakPolarHBondContact ND2-CB 3.42Å; N1187-A1190 PolarHBondContact O-N 2.8Å; N1187-A1190 WeakPolarHBondContact OD1-CB 3.45Å; N1187-A1190 PolarHBondContact OD1-N 2.85Å; A1190-S1192 PolarHBondContact O-N 3.4Å; A1190-S1193 PolarHBondContact O-N 2.85Å; A1190-R1194 WeakPolarHBondContact O-CG 3.42Å; A1190-R1194 PolarHBondContact O-N 3.08Å |
| 1191 | K | 93 | Very high | 85 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 18% | 0.183 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.4 | -42.8 | 174.9 | -160.7 | -171.7 | -154.9 | 171 | 0 | 111.5 | N1187 S1193 R1194 L1195 V1265 I1266 E1312 | N1187-K1191 PolarHBondContact O-N 2.96Å; N1187-K1191 VanDerWaalsContact O-N 3.11Å; K1191-S1193 PolarHBondContact O-N 3.4Å; K1191-R1194 PolarHBondContact O-N 2.93Å; K1191-L1195 HydrophobicContact CG-CD1 3.97Å; K1191-L1195 VanDerWaalsContact O-CD1 3.31Å; K1191-L1195 WeakPolarHBondContact O-CD1 3.35Å; K1191-L1195 PolarHBondContact O-N 2.79Å; K1191-L1195 VanDerWaalsContact O-N 3.1Å; K1191-V1265 PolarHBondContact NZ-O 3.04Å; K1191-I1266 HydrophobicContact CB-CG2 4.31Å; K1191-I1266 WeakPolarHBondContact CD-O 3.29Å; K1191-I1266 WeakPolarHBondContact CE-O 3.25Å; K1191-I1266 WeakPolarHBondContact CG-O 3.42Å; K1191-I1266 PolarHBondContact NZ-O 3.25Å; K1191-E1312 WeakPolarHBondContact CE-OE1 3.45Å; K1191-E1312 IonicContact NZ-OE1 2.74Å; K1191-E1312 PolarHBondContact NZ-OE1 3.18Å |
| 1192 | S | 88.6 | Confident | 86.9 | Confident | 68 Ų | 68 | 71.1 Ų | 71.1 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -35.8 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | K1188 S1189 A1190 N1196 | K1188-S1192 WeakPolarHBondContact O-CB 3.32Å; K1188-S1192 PolarHBondContact O-N 3.43Å; K1188-S1192 VanDerWaalsContact O-N 3.11Å; K1188-S1192 PolarHBondContact O-OG 2.89Å; S1189-S1192 WeakPolarHBondContact O-CB 3.14Å; S1189-S1192 PolarHBondContact O-N 3.25Å; A1190-S1192 PolarHBondContact O-N 3.4Å; S1192-N1196 WeakPolarHBondContact O-CB 3.25Å; S1192-N1196 VanDerWaalsContact O-CG 3.28Å; S1192-N1196 PolarHBondContact O-N 3.01Å; S1192-N1196 PolarHBondContact O-ND2 3.13Å |
| 1193 | S | 90.3 | Very high | 88.1 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -49 | 171.5 | -153.7 | 0 | 0 | 0 | 0 | 110.8 | S1189 A1190 K1191 L1195 N1196 D1197 | S1189-S1193 PolarHBondContact O-N 3.29Å; A1190-S1193 PolarHBondContact O-N 2.85Å; K1191-S1193 PolarHBondContact O-N 3.4Å; S1193-L1195 PolarHBondContact O-N 3.43Å; S1193-N1196 CarbonylContact O-C 3.56Å; S1193-N1196 WeakPolarHBondContact O-CA 3.08Å; S1193-N1196 PolarHBondContact O-N 3Å; S1193-D1197 WeakPolarHBondContact O-CB 3.17Å; S1193-D1197 PolarHBondContact O-N 3.46Å; S1193-D1197 PolarHBondContact OG-OD2 3.18Å |
| 1194 | R | 93.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.3 | -50.7 | -179.2 | -64.6 | -165.6 | -63.6 | -101 | 6.8 | 111.9 | A1190 K1191 N1196 D1197 E1198 L1222 N1267 D1269 | A1190-R1194 WeakPolarHBondContact O-CG 3.42Å; A1190-R1194 PolarHBondContact O-N 3.08Å; K1191-R1194 PolarHBondContact O-N 2.93Å; R1194-N1196 PolarHBondContact O-N 3.01Å; R1194-D1197 PolarHBondContact O-N 2.86Å; R1194-E1198 VanDerWaalsContact O-CB 3.29Å; R1194-E1198 WeakPolarHBondContact O-CB 3.44Å; R1194-E1198 PolarHBondContact O-N 3.26Å; R1194-L1222 HydrophobicContact CG-CD2 4.01Å; R1194-N1267 PolarHBondContact NH1-OD1 2.95Å; R1194-N1267 PolarHBondContact NH2-OD1 3.14Å; R1194-D1269 IonicContact CZ-OD1 3.74Å; R1194-D1269 IonicContact CZ-OD2 3.81Å; R1194-D1269 IonicContact NE-OD1 3.17Å; R1194-D1269 PolarHBondContact NE-OD1 3.49Å; R1194-D1269 IonicContact NE-OD2 3.29Å; R1194-D1269 PolarHBondContact NE-OD2 2.8Å; R1194-D1269 IonicContact NH2-OD1 2.83Å; R1194-D1269 PolarHBondContact NH2-OD1 3.48Å; R1194-D1269 IonicContact NH2-OD2 2.72Å |
| 1195 | L | 88.8 | Confident | 88.2 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 176.4 | -87.8 | 83.2 | 0 | 0 | 0 | 113.3 | K1191 S1193 K1199 | K1191-L1195 HydrophobicContact CG-CD1 3.97Å; K1191-L1195 VanDerWaalsContact O-CD1 3.31Å; K1191-L1195 WeakPolarHBondContact O-CD1 3.35Å; K1191-L1195 PolarHBondContact O-N 2.79Å; K1191-L1195 VanDerWaalsContact O-N 3.1Å; S1193-L1195 PolarHBondContact O-N 3.43Å; L1195-K1199 VanDerWaalsContact O-CB 3.31Å; L1195-K1199 WeakPolarHBondContact O-CB 3.26Å; L1195-K1199 WeakPolarHBondContact O-CD 3.3Å; L1195-K1199 WeakPolarHBondContact O-CG 3.36Å; L1195-K1199 PolarHBondContact O-N 3.35Å |
| 1196 | N | 89.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73 | -37.6 | 178.8 | -81.3 | -36.1 | 0 | 0 | 0 | 112.5 | S1192 S1193 R1194 K1200 | S1192-N1196 WeakPolarHBondContact O-CB 3.25Å; S1192-N1196 VanDerWaalsContact O-CG 3.28Å; S1192-N1196 PolarHBondContact O-N 3.01Å; S1192-N1196 PolarHBondContact O-ND2 3.13Å; S1193-N1196 CarbonylContact O-C 3.56Å; S1193-N1196 WeakPolarHBondContact O-CA 3.08Å; S1193-N1196 PolarHBondContact O-N 3Å; R1194-N1196 PolarHBondContact O-N 3.01Å; N1196-K1200 VanDerWaalsContact O-CB 3.31Å; N1196-K1200 WeakPolarHBondContact O-CB 3.18Å; N1196-K1200 WeakPolarHBondContact O-CG 3.15Å; N1196-K1200 PolarHBondContact O-N 2.97Å |
| 1197 | D | 90.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.7 | -34.1 | 178.8 | -65 | -50 | 0 | 0 | 0 | 111.1 | S1193 R1194 K1200 R1201 K1202 L1203 | S1193-D1197 WeakPolarHBondContact O-CB 3.17Å; S1193-D1197 PolarHBondContact O-N 3.46Å; S1193-D1197 PolarHBondContact OG-OD2 3.18Å; R1194-D1197 PolarHBondContact O-N 2.86Å; D1197-K1200 CarbonylContact O-C 3.17Å; D1197-K1200 PolarHBondContact O-N 2.97Å; D1197-R1201 PolarHBondContact O-N 3.33Å; D1197-R1201 VanDerWaalsContact O-N 3.16Å; D1197-K1202 HydrophobicContact CB-CB 4.16Å; D1197-K1202 HydrophobicContact CB-CD 3.93Å; D1197-K1202 WeakPolarHBondContact O-CB 3.41Å; D1197-K1202 PolarHBondContact O-N 3.49Å; D1197-K1202 WeakPolarHBondContact OD1-CD 3.48Å; D1197-K1202 WeakPolarHBondContact OD1-CE 3.46Å; D1197-K1202 IonicContact OD1-NZ 3.65Å; D1197-K1202 PolarHBondContact OD1-NZ 3.04Å; D1197-L1203 HydrophobicContact CB-CD1 4.47Å; D1197-L1203 HydrophobicContact CB-CG 4.23Å |
| 1198 | E | 86.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 78 Ų | 78 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 168.3 | -171.8 | 164.2 | -152.6 | 0 | 0 | 112 | R1194 K1200 R1201 L1203 R1273 | R1194-E1198 VanDerWaalsContact O-CB 3.29Å; R1194-E1198 WeakPolarHBondContact O-CB 3.44Å; R1194-E1198 PolarHBondContact O-N 3.26Å; E1198-K1200 PolarHBondContact O-N 3.49Å; E1198-R1201 PolarHBondContact O-N 2.99Å; E1198-L1203 HydrophobicContact CB-CD1 4.23Å; E1198-R1273 IonicContact OE1-CZ 2.86Å; E1198-R1273 IonicContact OE1-NH2 2.7Å; E1198-R1273 PolarHBondContact OE1-NH2 3.4Å; E1198-R1273 IonicContact OE2-CZ 2.69Å; E1198-R1273 IonicContact OE2-NH2 3.35Å; E1198-R1273 PolarHBondContact OE2-NH2 2.99Å |
| 1199 | K | 84.9 | Confident | 87.8 | Confident | 129 Ų | 129 | 79.2 Ų | 79.2 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.6 | -31.7 | 174.4 | -76 | 170.8 | -176.3 | 178.3 | 0 | 113 | L1195 R1201 H1311 | L1195-K1199 VanDerWaalsContact O-CB 3.31Å; L1195-K1199 WeakPolarHBondContact O-CB 3.26Å; L1195-K1199 WeakPolarHBondContact O-CD 3.3Å; L1195-K1199 WeakPolarHBondContact O-CG 3.36Å; L1195-K1199 PolarHBondContact O-N 3.35Å; K1199-R1201 VanDerWaalsContact C-N 3.29Å; K1199-H1311 WeakPolarHBondContact CE-NE2 3.48Å |
| 1200 | K | 89 | Confident | 87.6 | Confident | 141 Ų | 141 | 79.4 Ų | 79.4 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 4 | 174.5 | -71.7 | 172.6 | -178 | 179.8 | 0 | 113.7 | N1196 D1197 E1198 K1202 | N1196-K1200 VanDerWaalsContact O-CB 3.31Å; N1196-K1200 WeakPolarHBondContact O-CB 3.18Å; N1196-K1200 WeakPolarHBondContact O-CG 3.15Å; N1196-K1200 PolarHBondContact O-N 2.97Å; D1197-K1200 CarbonylContact O-C 3.17Å; D1197-K1200 PolarHBondContact O-N 2.97Å; E1198-K1200 PolarHBondContact O-N 3.49Å; K1200-K1202 HydrophobicContact CB-CD 4.28Å; K1200-K1202 HydrophobicContact CB-CG 4.23Å; K1200-K1202 PolarHBondContact O-N 2.95Å |
| 1201 | R | 82.6 | Confident | 87.5 | Confident | 231 Ų | 231 | 80 Ų | 80 | 87% | 0.872 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 29 | -177 | -56 | -176.8 | 179.8 | -178.2 | 0.3 | 114.3 | D1197 E1198 K1199 L1203 | D1197-R1201 PolarHBondContact O-N 3.33Å; D1197-R1201 VanDerWaalsContact O-N 3.16Å; E1198-R1201 PolarHBondContact O-N 2.99Å; K1199-R1201 VanDerWaalsContact C-N 3.29Å; R1201-L1203 VanDerWaalsContact C-N 3.35Å |
| 1202 | K | 87.1 | Confident | 87.3 | Confident | 142 Ų | 142 | 80.7 Ų | 80.7 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | trans | -80.1 | -19.5 | 172.4 | -71.1 | 167.9 | 156.3 | -163.6 | 0 | 113 | D1197 K1200 | D1197-K1202 HydrophobicContact CB-CB 4.16Å; D1197-K1202 HydrophobicContact CB-CD 3.93Å; D1197-K1202 WeakPolarHBondContact O-CB 3.41Å; D1197-K1202 PolarHBondContact O-N 3.49Å; D1197-K1202 WeakPolarHBondContact OD1-CD 3.48Å; D1197-K1202 WeakPolarHBondContact OD1-CE 3.46Å; D1197-K1202 IonicContact OD1-NZ 3.65Å; D1197-K1202 PolarHBondContact OD1-NZ 3.04Å; K1200-K1202 HydrophobicContact CB-CD 4.28Å; K1200-K1202 HydrophobicContact CB-CG 4.23Å; K1200-K1202 PolarHBondContact O-N 2.95Å | ||
| 1203 | L | 88.8 | Confident | 87.2 | Confident | 37 Ų | 37 | 86 Ų | 86 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -97.9 | 143.5 | 173.4 | -59.7 | -178.9 | 0 | 0 | 0 | 109.1 | D1197 E1198 R1201 K1205 Q1218 L1222 | D1197-L1203 HydrophobicContact CB-CD1 4.47Å; D1197-L1203 HydrophobicContact CB-CG 4.23Å; E1198-L1203 HydrophobicContact CB-CD1 4.23Å; R1201-L1203 VanDerWaalsContact C-N 3.35Å; L1203-K1205 PolarHBondContact O-N 3.17Å; L1203-Q1218 VanDerWaalsContact CA-OE1 3.3Å; L1203-Q1218 HydrophobicContact CD2-CG 4.42Å; L1203-L1222 HydrophobicContact CD1-CD1 4.28Å; L1203-L1222 HydrophobicContact CD1-CD2 4.13Å; L1203-L1222 HydrophobicContact CD2-CD2 4.15Å |
| 1204 | L | 87.7 | Confident | 87.1 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 40% | 0.398 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 128.8 | 167.9 | -69.6 | 160.2 | 0 | 0 | 0 | 109.2 | W1206 D1214 Q1218 | L1204-W1206 PolarHBondContact O-N 2.72Å; L1204-D1214 HydrophobicContact CD1-CB 3.62Å; L1204-Q1218 HydrophobicContact CD1-CB 4.32Å; L1204-Q1218 PolarHBondContact O-NE2 3.47Å |
| 1205 | K | 86.4 | Confident | 87.1 | Confident | 148 Ų | 148 | 88.1 Ų | 88.1 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 121.1 | 179.7 | -173.5 | -163.8 | -178.8 | -161.1 | 0 | 109.2 | L1203 D1207 H1215 | L1203-K1205 PolarHBondContact O-N 3.17Å; K1205-D1207 HydrophobicContact CD-CB 3.87Å; K1205-D1207 VanDerWaalsContact CE-OD2 3.29Å; K1205-D1207 WeakPolarHBondContact CE-OD2 3.48Å; K1205-D1207 HydrophobicContact CG-CB 4Å; K1205-D1207 IonicContact NZ-OD2 2.9Å; K1205-D1207 PolarHBondContact NZ-OD2 2.91Å; K1205-D1207 PolarHBondContact O-N 3.5Å; K1205-H1215 PolarHBondContact O-NE2 3.07Å |
| 1206 | W | 90.4 | Very high | 87.3 | Confident | 18 Ų | 18 | 89.3 Ų | 89.3 | 7% | 0.068 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -78.2 | 69.5 | 179.9 | -162.2 | -86.8 | 0 | 0 | 0 | 111.5 | L1204 F1208 H1215 L1219 R1273 V1276 L1277 S1315 Y1319 | L1204-W1206 PolarHBondContact O-N 2.72Å; W1206-F1208 AromaticContact CD2-CE1 3.73Å; W1206-F1208 HydrophobicContact CD2-CE1 3.73Å; W1206-F1208 HydrophobicContact CD2-CZ 4.24Å; W1206-F1208 AromaticContact CE2-CE1 3.66Å; W1206-F1208 AromaticContact CE2-CZ 3.67Å; W1206-F1208 HydrophobicContact CE3-CE1 4.08Å; W1206-F1208 HydrophobicContact CG-CE1 4.13Å; W1206-F1208 HydrophobicContact CH2-CE1 4.29Å; W1206-F1208 HydrophobicContact CH2-CZ 4.2Å; W1206-F1208 AromaticContact CZ2-CE1 3.97Å; W1206-F1208 HydrophobicContact CZ2-CE1 3.97Å; W1206-F1208 AromaticContact CZ2-CZ 3.66Å; W1206-F1208 HydrophobicContact CZ2-CZ 3.66Å; W1206-F1208 HydrophobicContact CZ3-CE1 4.34Å; W1206-F1208 AromaticContact NE1-CZ 3.94Å; W1206-H1215 HydrophobicContact CZ3-CB 4.28Å; W1206-L1219 HydrophobicContact CH2-CB 4.35Å; W1206-L1219 HydrophobicContact CH2-CD2 4.01Å; W1206-L1219 HydrophobicContact CZ3-CB 4.25Å; W1206-R1273 HydrophobicContact CD2-CB 4.41Å; W1206-R1273 HydrophobicContact CD2-CG 3.88Å; W1206-R1273 HydrophobicContact CE3-CG 4.41Å; W1206-R1273 HydrophobicContact CG-CG 4.28Å; W1206-R1273 HydrophobicContact CH2-CB 3.94Å; W1206-R1273 HydrophobicContact CH2-CG 4.45Å; W1206-R1273 HydrophobicContact CZ2-CB 3.58Å; W1206-R1273 HydrophobicContact CZ2-CG 3.93Å; W1206-R1273 WeakPolarHBondContact CZ2-O 3.45Å; W1206-R1273 HydrophobicContact CZ3-CB 4.49Å; W1206-V1276 HydrophobicContact CZ2-CB 4.46Å; W1206-V1276 HydrophobicContact CZ2-CG1 4.31Å; W1206-L1277 HydrophobicContact CH2-CD2 3.99Å; W1206-L1277 HydrophobicContact CH2-CG 4.3Å; W1206-L1277 HydrophobicContact CZ2-CD2 4.3Å; W1206-S1315 PolarHBondContact NE1-O 3.3Å; W1206-Y1319 AromaticContact CD1-CE2 3.83Å; W1206-Y1319 AromaticContact NE1-CE2 3.82Å |
| 1207 | D | 84.1 | Confident | 87.4 | Confident | 104 Ų | 104 | 91.9 Ų | 91.9 | 56% | 0.556 | 44% | 0.436 | S | S | * | . | trans | -152.2 | 104.6 | -176.8 | -179.6 | 23.1 | 0 | 0 | 0 | 108.8 | K1205 | K1205-D1207 HydrophobicContact CD-CB 3.87Å; K1205-D1207 VanDerWaalsContact CE-OD2 3.29Å; K1205-D1207 WeakPolarHBondContact CE-OD2 3.48Å; K1205-D1207 HydrophobicContact CG-CB 4Å; K1205-D1207 IonicContact NZ-OD2 2.9Å; K1205-D1207 PolarHBondContact NZ-OD2 2.91Å; K1205-D1207 PolarHBondContact O-N 3.5Å | ||
| 1208 | F | 87.5 | Confident | 87.6 | Confident | 23 Ų | 23 | 91.9 Ų | 91.9 | 10% | 0.101 | 44% | 0.435 | C | S | . | . | trans | -158 | 144.6 | -171.2 | 50 | -103.1 | 0 | 0 | 0 | 112.5 | W1206 T1210 P1211 H1215 V1276 F1280 Y1319 | W1206-F1208 AromaticContact CD2-CE1 3.73Å; W1206-F1208 HydrophobicContact CD2-CE1 3.73Å; W1206-F1208 HydrophobicContact CD2-CZ 4.24Å; W1206-F1208 AromaticContact CE2-CE1 3.66Å; W1206-F1208 AromaticContact CE2-CZ 3.67Å; W1206-F1208 HydrophobicContact CE3-CE1 4.08Å; W1206-F1208 HydrophobicContact CG-CE1 4.13Å; W1206-F1208 HydrophobicContact CH2-CE1 4.29Å; W1206-F1208 HydrophobicContact CH2-CZ 4.2Å; W1206-F1208 AromaticContact CZ2-CE1 3.97Å; W1206-F1208 HydrophobicContact CZ2-CE1 3.97Å; W1206-F1208 AromaticContact CZ2-CZ 3.66Å; W1206-F1208 HydrophobicContact CZ2-CZ 3.66Å; W1206-F1208 HydrophobicContact CZ3-CE1 4.34Å; W1206-F1208 AromaticContact NE1-CZ 3.94Å; F1208-T1210 VanDerWaalsContact C-N 3.31Å; F1208-T1210 VanDerWaalsContact CD2-C 3.47Å; F1208-P1211 HydrophobicContact CD2-CB 4.13Å; F1208-P1211 HydrophobicContact CE2-CB 3.66Å; F1208-P1211 HydrophobicContact CE2-CG 4.14Å; F1208-P1211 HydrophobicContact CZ-CB 3.93Å; F1208-H1215 AromaticContact CD1-CD2 3.46Å; F1208-H1215 VanDerWaalsContact CD1-CD2 3.46Å; F1208-H1215 WeakPolarHBondContact CD1-CD2 3.36Å; F1208-H1215 AromaticContact CD1-NE2 3.59Å; F1208-H1215 HydrophobicContact CE1-CB 4.42Å; F1208-H1215 AromaticContact CE1-CD2 3.58Å; F1208-V1276 HydrophobicContact CE2-CG1 4.37Å; F1208-V1276 HydrophobicContact CZ-CG1 4.24Å; F1208-F1280 HydrophobicContact CD2-CE2 4.48Å; F1208-F1280 HydrophobicContact CD2-CZ 4.43Å; F1208-F1280 AromaticContact CE2-CE2 3.85Å; F1208-F1280 HydrophobicContact CE2-CE2 3.85Å; F1208-F1280 HydrophobicContact CE2-CZ 4.23Å; F1208-Y1319 WeakPolarHBondContact CD1-OH 3.49Å; F1208-Y1319 AromaticContact CD2-CE1 3.76Å; F1208-Y1319 HydrophobicContact CD2-CE1 3.76Å; F1208-Y1319 WeakPolarHBondContact CE1-OH 3.44Å; F1208-Y1319 HydrophobicContact CE2-CD1 4.49Å; F1208-Y1319 AromaticContact CE2-CE1 3.52Å; F1208-Y1319 HydrophobicContact CE2-CE1 3.52Å; F1208-Y1319 AromaticContact CE2-CZ 3.81Å; F1208-Y1319 HydrophobicContact CG-CE1 4.48Å; F1208-Y1319 WeakPolarHBondContact CG-OH 3.49Å; F1208-Y1319 HydrophobicContact CZ-CE1 4.09Å; F1208-Y1319 AromaticContact CZ-CZ 3.93Å; F1208-Y1319 WeakPolarHBondContact CZ-OH 3.44Å; F1208-Y1319 PolarHBondContact N-OH 2.99Å; F1208-Y1319 VanDerWaalsContact N-OH 3.13Å; F1208-Y1319 WeakPolarHBondContact O-CE1 3.28Å | ||
| 1209 | D | 78.7 | Confident | 88.1 | Confident | 143 Ų | 143 | 90 Ų | 90 | 77% | 0.765 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -71 | -24.8 | 170.3 | -88.2 | -40.7 | 0 | 0 | 0 | 112.9 | F1280 | D1209-F1280 VanDerWaalsContact O-CE1 3.23Å; D1209-F1280 WeakPolarHBondContact O-CE1 3.34Å |
| 1210 | T | 82.5 | Confident | 88.6 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -159.5 | 135.9 | 176.6 | -66.7 | 0 | 0 | 0 | 0 | 108.6 | F1208 T1212 | F1208-T1210 VanDerWaalsContact C-N 3.31Å; F1208-T1210 VanDerWaalsContact CD2-C 3.47Å; T1210-T1212 PolarHBondContact O-N 3.38Å |
| 1211 | P | 88.1 | Confident | 88.9 | Confident | 24 Ų | 24 | 82 Ų | 82 | 16% | 0.156 | 40% | 0.401 | C | S | . | . | trans | -69.2 | 130.8 | -173.6 | 25.3 | -33.3 | 0 | 0 | 0 | 112.6 | F1208 L1277 F1280 | F1208-P1211 HydrophobicContact CD2-CB 4.13Å; F1208-P1211 HydrophobicContact CE2-CB 3.66Å; F1208-P1211 HydrophobicContact CE2-CG 4.14Å; F1208-P1211 HydrophobicContact CZ-CB 3.93Å; P1211-L1277 HydrophobicContact CB-CD2 3.53Å; P1211-L1277 HydrophobicContact CG-CD2 3.8Å; P1211-F1280 HydrophobicContact CG-CB 4.46Å; P1211-F1280 HydrophobicContact CG-CD2 3.91Å; P1211-F1280 HydrophobicContact CG-CE2 4.45Å; P1211-F1280 HydrophobicContact CG-CG 4.17Å | ||
| 1212 | T | 88.5 | Confident | 89.5 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 36% | 0.356 | 36% | 0.364 | S | S | . | . | trans | -79.5 | 166.8 | 172.1 | 77.8 | 0 | 0 | 0 | 0 | 111.6 | T1210 D1214 H1215 I1216 | T1210-T1212 PolarHBondContact O-N 3.38Å; T1212-D1214 VanDerWaalsContact CB-OD2 3.31Å; T1212-D1214 WeakPolarHBondContact CB-OD2 3.36Å; T1212-D1214 PolarHBondContact O-N 3.38Å; T1212-D1214 PolarHBondContact OG1-N 2.86Å; T1212-D1214 PolarHBondContact OG1-OD2 3.02Å; T1212-H1215 PolarHBondContact O-N 3.28Å; T1212-H1215 PolarHBondContact OG1-N 3.28Å; T1212-H1215 PolarHBondContact OG1-ND1 3.25Å; T1212-I1216 WeakPolarHBondContact O-CG1 3.49Å; T1212-I1216 PolarHBondContact O-N 3.48Å | ||
| 1213 | K | 86 | Confident | 89.9 | Confident | 179 Ų | 179 | 65.1 Ų | 65.1 | 78% | 0.778 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.9 | -37.5 | 173.6 | -70.3 | -176 | 177 | -179.7 | 0 | 111.9 | I1216 Q1217 | K1213-I1216 PolarHBondContact O-N 2.91Å; K1213-Q1217 WeakPolarHBondContact O-CB 3.21Å; K1213-Q1217 PolarHBondContact O-N 2.94Å |
| 1214 | D | 88.8 | Confident | 90.1 | Very high | 92 Ų | 92 | 68.2 Ų | 68.2 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | -178.6 | -29.5 | -80.9 | 0 | 0 | 0 | 111.7 | L1204 T1212 Q1217 Q1218 | L1204-D1214 HydrophobicContact CD1-CB 3.62Å; T1212-D1214 VanDerWaalsContact CB-OD2 3.31Å; T1212-D1214 WeakPolarHBondContact CB-OD2 3.36Å; T1212-D1214 PolarHBondContact O-N 3.38Å; T1212-D1214 PolarHBondContact OG1-N 2.86Å; T1212-D1214 PolarHBondContact OG1-OD2 3.02Å; D1214-Q1217 PolarHBondContact O-N 3.16Å; D1214-Q1218 WeakPolarHBondContact O-CB 3.2Å; D1214-Q1218 PolarHBondContact O-N 2.82Å |
| 1215 | H | 92.6 | Very high | 90.3 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 9% | 0.088 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 172.9 | -69.2 | 85.4 | 0 | 0 | 0 | 111.7 | K1205 W1206 F1208 T1212 L1219 | K1205-H1215 PolarHBondContact O-NE2 3.07Å; W1206-H1215 HydrophobicContact CZ3-CB 4.28Å; F1208-H1215 AromaticContact CD1-CD2 3.46Å; F1208-H1215 VanDerWaalsContact CD1-CD2 3.46Å; F1208-H1215 WeakPolarHBondContact CD1-CD2 3.36Å; F1208-H1215 AromaticContact CD1-NE2 3.59Å; F1208-H1215 HydrophobicContact CE1-CB 4.42Å; F1208-H1215 AromaticContact CE1-CD2 3.58Å; T1212-H1215 PolarHBondContact O-N 3.28Å; T1212-H1215 PolarHBondContact OG1-N 3.28Å; T1212-H1215 PolarHBondContact OG1-ND1 3.25Å; H1215-L1219 WeakPolarHBondContact O-CB 3.3Å; H1215-L1219 PolarHBondContact O-N 3.38Å |
| 1216 | I | 92.4 | Very high | 90.5 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 32% | 0.323 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 177.4 | -59.5 | 168.7 | 0 | 0 | 0 | 110.3 | T1212 K1213 L1219 S1220 F1237 L1277 | T1212-I1216 WeakPolarHBondContact O-CG1 3.49Å; T1212-I1216 PolarHBondContact O-N 3.48Å; K1213-I1216 PolarHBondContact O-N 2.91Å; I1216-L1219 PolarHBondContact O-N 3.02Å; I1216-S1220 WeakPolarHBondContact O-CB 3.4Å; I1216-S1220 PolarHBondContact O-N 3.47Å; I1216-F1237 HydrophobicContact CG2-CD1 4.25Å; I1216-F1237 HydrophobicContact CG2-CE1 4.46Å; I1216-L1277 HydrophobicContact CG1-CD1 4.1Å; I1216-L1277 HydrophobicContact CG1-CD2 4.05Å; I1216-L1277 HydrophobicContact CG2-CD1 4.42Å |
| 1217 | Q | 92.6 | Very high | 90.4 | Very high | 136 Ų | 136 | 61.7 Ų | 61.7 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.7 | -38.4 | 179.8 | -172.6 | 166.6 | -7.3 | 0 | 0 | 112.2 | K1213 D1214 S1220 T1221 | K1213-Q1217 WeakPolarHBondContact O-CB 3.21Å; K1213-Q1217 PolarHBondContact O-N 2.94Å; D1214-Q1217 PolarHBondContact O-N 3.16Å; Q1217-S1220 PolarHBondContact O-N 3.29Å; Q1217-T1221 WeakPolarHBondContact O-CB 3.15Å; Q1217-T1221 PolarHBondContact O-N 2.78Å; Q1217-T1221 PolarHBondContact O-OG1 3.04Å |
| 1218 | Q | 94.9 | Very high | 90.8 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -52.3 | 168.9 | 176.3 | 173.9 | -88.2 | 0 | 0 | 110.4 | L1203 L1204 D1214 S1220 T1221 L1222 | L1203-Q1218 VanDerWaalsContact CA-OE1 3.3Å; L1203-Q1218 HydrophobicContact CD2-CG 4.42Å; L1204-Q1218 HydrophobicContact CD1-CB 4.32Å; L1204-Q1218 PolarHBondContact O-NE2 3.47Å; D1214-Q1218 WeakPolarHBondContact O-CB 3.2Å; D1214-Q1218 PolarHBondContact O-N 2.82Å; Q1218-S1220 VanDerWaalsContact C-N 3.31Å; Q1218-S1220 PolarHBondContact O-N 3.33Å; Q1218-T1221 WeakPolarHBondContact O-CB 3.39Å; Q1218-T1221 PolarHBondContact O-N 2.91Å; Q1218-T1221 VanDerWaalsContact O-N 3.1Å; Q1218-L1222 HydrophobicContact CG-CD1 3.98Å; Q1218-L1222 HydrophobicContact CG-CG 4.29Å; Q1218-L1222 WeakPolarHBondContact O-CG 3.31Å; Q1218-L1222 PolarHBondContact O-N 2.76Å |
| 1219 | L | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | -178.9 | -171.2 | 67.6 | 0 | 0 | 0 | 111.6 | W1206 H1215 I1216 T1221 L1222 F1223 F1237 I1270 R1273 W1274 L1277 | W1206-L1219 HydrophobicContact CH2-CB 4.35Å; W1206-L1219 HydrophobicContact CH2-CD2 4.01Å; W1206-L1219 HydrophobicContact CZ3-CB 4.25Å; H1215-L1219 WeakPolarHBondContact O-CB 3.3Å; H1215-L1219 PolarHBondContact O-N 3.38Å; I1216-L1219 PolarHBondContact O-N 3.02Å; L1219-T1221 VanDerWaalsContact C-N 3.31Å; L1219-T1221 PolarHBondContact O-N 3.2Å; L1219-L1222 WeakPolarHBondContact O-CB 3.36Å; L1219-L1222 PolarHBondContact O-N 3.06Å; L1219-L1222 VanDerWaalsContact O-N 3.09Å; L1219-F1223 HydrophobicContact CD1-CD2 4.32Å; L1219-F1223 HydrophobicContact CD1-CE2 4.09Å; L1219-F1223 HydrophobicContact CD2-CE2 4.23Å; L1219-F1223 HydrophobicContact CG-CD2 4.05Å; L1219-F1223 HydrophobicContact CG-CE2 3.94Å; L1219-F1223 WeakPolarHBondContact O-CD2 3.26Å; L1219-F1223 PolarHBondContact O-N 3.35Å; L1219-F1237 HydrophobicContact CB-CE1 4.49Å; L1219-F1237 HydrophobicContact CB-CZ 4.46Å; L1219-F1237 HydrophobicContact CD2-CE1 4.46Å; L1219-F1237 HydrophobicContact CD2-CZ 4.3Å; L1219-F1237 HydrophobicContact CG-CZ 4.13Å; L1219-I1270 HydrophobicContact CD1-CB 4.12Å; L1219-I1270 HydrophobicContact CD1-CG2 4.13Å; L1219-R1273 HydrophobicContact CD1-CB 3.69Å; L1219-R1273 HydrophobicContact CD2-CB 4.07Å; L1219-W1274 HydrophobicContact CD2-CB 3.98Å; L1219-L1277 HydrophobicContact CD2-CD1 3.69Å; L1219-L1277 HydrophobicContact CD2-CG 4.26Å |
| 1220 | S | 95.5 | Very high | 91.4 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | I1216 Q1217 Q1218 L1222 F1223 I1224 H1233 | I1216-S1220 WeakPolarHBondContact O-CB 3.4Å; I1216-S1220 PolarHBondContact O-N 3.47Å; Q1217-S1220 PolarHBondContact O-N 3.29Å; Q1218-S1220 VanDerWaalsContact C-N 3.31Å; Q1218-S1220 PolarHBondContact O-N 3.33Å; S1220-L1222 PolarHBondContact O-N 3.44Å; S1220-F1223 PolarHBondContact O-N 3.24Å; S1220-I1224 WeakPolarHBondContact O-CG1 3.38Å; S1220-I1224 PolarHBondContact O-N 3.35Å; S1220-I1224 VanDerWaalsContact O-N 3.11Å; S1220-H1233 PolarHBondContact O-NE2 2.51Å; S1220-H1233 PolarHBondContact OG-CE1 2.97Å; S1220-H1233 VanDerWaalsContact OG-CE1 3.23Å; S1220-H1233 PolarHBondContact OG-NE2 2.69Å |
| 1221 | T | 94.8 | Very high | 91.7 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | Q1217 Q1218 L1219 I1224 A1225 | Q1217-T1221 WeakPolarHBondContact O-CB 3.15Å; Q1217-T1221 PolarHBondContact O-N 2.78Å; Q1217-T1221 PolarHBondContact O-OG1 3.04Å; Q1218-T1221 WeakPolarHBondContact O-CB 3.39Å; Q1218-T1221 PolarHBondContact O-N 2.91Å; Q1218-T1221 VanDerWaalsContact O-N 3.1Å; L1219-T1221 VanDerWaalsContact C-N 3.31Å; L1219-T1221 PolarHBondContact O-N 3.2Å; T1221-I1224 PolarHBondContact O-N 3.01Å; T1221-A1225 WeakPolarHBondContact O-CB 3.21Å; T1221-A1225 PolarHBondContact O-N 3.25Å |
| 1222 | L | 95.2 | Very high | 91.9 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 177.3 | -66.3 | 173.1 | 0 | 0 | 0 | 113 | R1194 L1203 Q1218 L1219 S1220 A1226 I1270 | R1194-L1222 HydrophobicContact CG-CD2 4.01Å; L1203-L1222 HydrophobicContact CD1-CD1 4.28Å; L1203-L1222 HydrophobicContact CD1-CD2 4.13Å; L1203-L1222 HydrophobicContact CD2-CD2 4.15Å; Q1218-L1222 HydrophobicContact CG-CD1 3.98Å; Q1218-L1222 HydrophobicContact CG-CG 4.29Å; Q1218-L1222 WeakPolarHBondContact O-CG 3.31Å; Q1218-L1222 PolarHBondContact O-N 2.76Å; L1219-L1222 WeakPolarHBondContact O-CB 3.36Å; L1219-L1222 PolarHBondContact O-N 3.06Å; L1219-L1222 VanDerWaalsContact O-N 3.09Å; S1220-L1222 PolarHBondContact O-N 3.44Å; L1222-A1226 PolarHBondContact O-N 2.85Å; L1222-I1270 HydrophobicContact CB-CG2 4.02Å |
| 1223 | F | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -44.7 | 169.7 | -88.3 | -90.3 | 0 | 0 | 0 | 111.5 | L1219 S1220 A1225 A1226 G1227 T1228 L1236 F1237 I1270 I1271 W1274 | L1219-F1223 HydrophobicContact CD1-CD2 4.32Å; L1219-F1223 HydrophobicContact CD1-CE2 4.09Å; L1219-F1223 HydrophobicContact CD2-CE2 4.23Å; L1219-F1223 HydrophobicContact CG-CD2 4.05Å; L1219-F1223 HydrophobicContact CG-CE2 3.94Å; L1219-F1223 WeakPolarHBondContact O-CD2 3.26Å; L1219-F1223 PolarHBondContact O-N 3.35Å; S1220-F1223 PolarHBondContact O-N 3.24Å; F1223-A1225 VanDerWaalsContact C-N 3.32Å; F1223-A1225 PolarHBondContact O-N 2.79Å; F1223-A1226 WeakPolarHBondContact O-CB 3.39Å; F1223-A1226 PolarHBondContact O-N 3.41Å; F1223-A1226 VanDerWaalsContact O-N 3.12Å; F1223-G1227 PolarHBondContact O-N 2.83Å; F1223-T1228 VanDerWaalsContact C-OG1 3.29Å; F1223-T1228 HydrophobicContact CD1-CG2 4.26Å; F1223-T1228 WeakPolarHBondContact CD1-OG1 3.28Å; F1223-T1228 VanDerWaalsContact O-CB 3.29Å; F1223-T1228 WeakPolarHBondContact O-CB 3.45Å; F1223-T1228 PolarHBondContact O-N 2.97Å; F1223-T1228 PolarHBondContact O-OG1 3.36Å; F1223-L1236 HydrophobicContact CD1-CD1 3.71Å; F1223-L1236 HydrophobicContact CE1-CD1 3.64Å; F1223-L1236 HydrophobicContact CG-CD1 4.39Å; F1223-L1236 HydrophobicContact CZ-CD1 4.26Å; F1223-F1237 HydrophobicContact CB-CE2 4.18Å; F1223-F1237 AromaticContact CD2-CE2 3.77Å; F1223-F1237 HydrophobicContact CD2-CE2 3.77Å; F1223-F1237 AromaticContact CD2-CZ 3.72Å; F1223-F1237 HydrophobicContact CD2-CZ 3.72Å; F1223-F1237 HydrophobicContact CE2-CE2 4.38Å; F1223-F1237 HydrophobicContact CE2-CZ 4.14Å; F1223-F1237 HydrophobicContact CG-CE2 4.05Å; F1223-F1237 HydrophobicContact CG-CZ 4.44Å; F1223-I1270 HydrophobicContact CD1-CD1 3.78Å; F1223-I1270 HydrophobicContact CD1-CG1 4.44Å; F1223-I1270 HydrophobicContact CD2-CB 4.14Å; F1223-I1270 HydrophobicContact CD2-CD1 4.16Å; F1223-I1270 HydrophobicContact CD2-CG1 4.49Å; F1223-I1270 HydrophobicContact CE1-CD1 3.93Å; F1223-I1270 HydrophobicContact CE1-CG1 4.11Å; F1223-I1270 HydrophobicContact CE2-CB 3.74Å; F1223-I1270 HydrophobicContact CE2-CD1 4.3Å; F1223-I1270 HydrophobicContact CE2-CG1 4.16Å; F1223-I1270 WeakPolarHBondContact CE2-O 3.45Å; F1223-I1270 HydrophobicContact CG-CD1 3.91Å; F1223-I1270 HydrophobicContact CZ-CB 3.99Å; F1223-I1270 HydrophobicContact CZ-CD1 4.2Å; F1223-I1270 HydrophobicContact CZ-CG1 3.97Å; F1223-I1270 WeakPolarHBondContact CZ-O 3.16Å; F1223-I1271 HydrophobicContact CE1-CG1 4.47Å; F1223-I1271 HydrophobicContact CZ-CG1 4.41Å; F1223-W1274 HydrophobicContact CE2-CB 4.01Å; F1223-W1274 HydrophobicContact CZ-CB 4.05Å |
| 1224 | I | 93.2 | Very high | 92.6 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 52% | 0.518 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.3 | -64.7 | 165.5 | 0 | 0 | 0 | 110 | S1220 T1221 A1226 G1227 | S1220-I1224 WeakPolarHBondContact O-CG1 3.38Å; S1220-I1224 PolarHBondContact O-N 3.35Å; S1220-I1224 VanDerWaalsContact O-N 3.11Å; T1221-I1224 PolarHBondContact O-N 3.01Å; I1224-A1226 PolarHBondContact O-N 2.89Å; I1224-G1227 PolarHBondContact O-N 3.26Å |
| 1225 | A | 91 | Very high | 92.8 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.1 | -19.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1221 F1223 G1227 | T1221-A1225 WeakPolarHBondContact O-CB 3.21Å; T1221-A1225 PolarHBondContact O-N 3.25Å; F1223-A1225 VanDerWaalsContact C-N 3.32Å; F1223-A1225 PolarHBondContact O-N 2.79Å; A1225-G1227 VanDerWaalsContact C-N 3.27Å |
| 1226 | A | 92.2 | Very high | 93 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.5 | -20.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1184 N1187 L1222 F1223 I1224 I1270 | L1184-A1226 HydrophobicContact CD1-CB 4.39Å; N1187-A1226 VanDerWaalsContact CB-O 3.29Å; N1187-A1226 WeakPolarHBondContact CB-O 3.43Å; N1187-A1226 PolarHBondContact ND2-O 3.12Å; N1187-A1226 VanDerWaalsContact ND2-O 3.08Å; L1222-A1226 PolarHBondContact O-N 2.85Å; F1223-A1226 WeakPolarHBondContact O-CB 3.39Å; F1223-A1226 PolarHBondContact O-N 3.41Å; F1223-A1226 VanDerWaalsContact O-N 3.12Å; I1224-A1226 PolarHBondContact O-N 2.89Å; A1226-I1270 HydrophobicContact CB-CD1 3.77Å |
| 1227 | G | 88.3 | Confident | 93.1 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 23.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1185 F1223 I1224 A1225 | P1185-G1227 WeakPolarHBondContact CD-O 3.29Å; P1185-G1227 WeakPolarHBondContact CG-O 3.3Å; F1223-G1227 PolarHBondContact O-N 2.83Å; I1224-G1227 PolarHBondContact O-N 3.26Å; A1225-G1227 VanDerWaalsContact C-N 3.27Å |
| 1228 | T | 92.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | trans | -59.9 | 134.1 | 178.6 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | L1184 F1223 F1232 H1233 L1236 | L1184-T1228 HydrophobicContact CD1-CG2 4.34Å; L1184-T1228 VanDerWaalsContact CD1-OG1 3.31Å; L1184-T1228 WeakPolarHBondContact CD1-OG1 3.25Å; F1223-T1228 VanDerWaalsContact C-OG1 3.29Å; F1223-T1228 HydrophobicContact CD1-CG2 4.26Å; F1223-T1228 WeakPolarHBondContact CD1-OG1 3.28Å; F1223-T1228 VanDerWaalsContact O-CB 3.29Å; F1223-T1228 WeakPolarHBondContact O-CB 3.45Å; F1223-T1228 PolarHBondContact O-N 2.97Å; F1223-T1228 PolarHBondContact O-OG1 3.36Å; T1228-F1232 HydrophobicContact CG2-CD1 3.52Å; T1228-F1232 HydrophobicContact CG2-CE1 4.05Å; T1228-F1232 HydrophobicContact CG2-CG 4.5Å; T1228-H1233 HydrophobicContact CG2-CB 4.14Å; T1228-L1236 HydrophobicContact CG2-CD1 4.44Å | ||
| 1229 | A | 89.5 | Confident | 92.7 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | trans | -60.5 | 136 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1183 E1231 F1232 H1233 | I1183-A1229 WeakPolarHBondContact O-CB 3.42Å; I1183-A1229 PolarHBondContact O-N 3.02Å; A1229-E1231 VanDerWaalsContact C-N 3.3Å; A1229-E1231 PolarHBondContact O-N 2.84Å; A1229-F1232 PolarHBondContact O-N 3.22Å; A1229-F1232 VanDerWaalsContact O-N 3.13Å; A1229-H1233 PolarHBondContact O-N 3.45Å | ||
| 1230 | P | 88.2 | Confident | 92.2 | Very high | 109 Ų | 109 | 51.1 Ų | 51.1 | 71% | 0.708 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.9 | -37.2 | -173.1 | -28.7 | 35.7 | 0 | 0 | 0 | 114.8 | A1234 | P1230-A1234 WeakPolarHBondContact O-CB 3.37Å; P1230-A1234 PolarHBondContact O-N 3.33Å |
| 1231 | E | 88.5 | Confident | 91.9 | Very high | 167 Ų | 167 | 54.1 Ų | 54.1 | 78% | 0.78 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 179 | -60.6 | -176.9 | 178.2 | 0 | 0 | 111.9 | A1229 A1234 L1235 | A1229-E1231 VanDerWaalsContact C-N 3.3Å; A1229-E1231 PolarHBondContact O-N 2.84Å; E1231-A1234 PolarHBondContact O-N 2.91Å; E1231-L1235 WeakPolarHBondContact O-CG 3.4Å; E1231-L1235 PolarHBondContact O-N 2.88Å |
| 1232 | F | 94 | Very high | 91.7 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.4 | -34 | 178.8 | 172.8 | -120.3 | 0 | 0 | 0 | 112.3 | I1183 L1184 T1228 A1229 A1234 L1235 L1236 A1247 Q1250 L1251 | I1183-F1232 HydrophobicContact CG2-CB 3.47Å; I1183-F1232 VanDerWaalsContact CG2-CB 3.47Å; I1183-F1232 HydrophobicContact CG2-CD1 3.22Å; I1183-F1232 HydrophobicContact CG2-CD2 4.02Å; I1183-F1232 HydrophobicContact CG2-CE1 3.92Å; I1183-F1232 HydrophobicContact CG2-CG 3.29Å; L1184-F1232 HydrophobicContact CB-CE1 4.42Å; T1228-F1232 HydrophobicContact CG2-CD1 3.52Å; T1228-F1232 HydrophobicContact CG2-CE1 4.05Å; T1228-F1232 HydrophobicContact CG2-CG 4.5Å; A1229-F1232 PolarHBondContact O-N 3.22Å; A1229-F1232 VanDerWaalsContact O-N 3.13Å; F1232-A1234 VanDerWaalsContact C-N 3.3Å; F1232-A1234 PolarHBondContact O-N 3.48Å; F1232-L1235 PolarHBondContact O-N 3.23Å; F1232-L1235 VanDerWaalsContact O-N 3.16Å; F1232-L1236 HydrophobicContact CD1-CD1 4.05Å; F1232-L1236 HydrophobicContact CD2-CG 4.35Å; F1232-L1236 HydrophobicContact CE1-CD1 3.59Å; F1232-L1236 HydrophobicContact CE1-CG 4.23Å; F1232-L1236 HydrophobicContact CE2-CD1 4.21Å; F1232-L1236 HydrophobicContact CE2-CD2 4.12Å; F1232-L1236 HydrophobicContact CE2-CG 3.92Å; F1232-L1236 HydrophobicContact CZ-CD1 3.67Å; F1232-L1236 HydrophobicContact CZ-CD2 3.93Å; F1232-L1236 HydrophobicContact CZ-CG 3.83Å; F1232-L1236 WeakPolarHBondContact O-CG 3.39Å; F1232-L1236 PolarHBondContact O-N 2.78Å; F1232-A1247 HydrophobicContact CD2-CB 4.46Å; F1232-A1247 HydrophobicContact CE2-CB 3.95Å; F1232-Q1250 HydrophobicContact CD2-CB 4.32Å; F1232-Q1250 VanDerWaalsContact CD2-OE1 3.25Å; F1232-Q1250 HydrophobicContact CE2-CB 4.22Å; F1232-L1251 HydrophobicContact CE1-CD2 4.37Å; F1232-L1251 HydrophobicContact CE2-CG 4.25Å; F1232-L1251 HydrophobicContact CZ-CD1 4.41Å; F1232-L1251 HydrophobicContact CZ-CD2 3.69Å; F1232-L1251 HydrophobicContact CZ-CG 3.73Å |
| 1233 | H | 95.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 168.1 | 178.2 | -92.4 | 0 | 0 | 0 | 111.5 | S1220 T1228 A1229 L1235 L1236 F1237 | S1220-H1233 PolarHBondContact O-NE2 2.51Å; S1220-H1233 PolarHBondContact OG-CE1 2.97Å; S1220-H1233 VanDerWaalsContact OG-CE1 3.23Å; S1220-H1233 PolarHBondContact OG-NE2 2.69Å; T1228-H1233 HydrophobicContact CG2-CB 4.14Å; A1229-H1233 PolarHBondContact O-N 3.45Å; H1233-L1235 VanDerWaalsContact C-N 3.33Å; H1233-L1235 PolarHBondContact O-N 2.95Å; H1233-L1236 PolarHBondContact O-N 3.17Å; H1233-F1237 AromaticContact CD2-CD2 3.7Å; H1233-F1237 AromaticContact CD2-CE2 3.92Å; H1233-F1237 AromaticContact NE2-CD2 3.56Å; H1233-F1237 AromaticContact NE2-CE2 3.92Å; H1233-F1237 PolarHBondContact O-N 3.37Å |
| 1234 | A | 92.6 | Very high | 91.5 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -30.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1230 E1231 F1232 H1238 | P1230-A1234 WeakPolarHBondContact O-CB 3.37Å; P1230-A1234 PolarHBondContact O-N 3.33Å; E1231-A1234 PolarHBondContact O-N 2.91Å; F1232-A1234 VanDerWaalsContact C-N 3.3Å; F1232-A1234 PolarHBondContact O-N 3.48Å; A1234-H1238 WeakPolarHBondContact O-CB 3.37Å; A1234-H1238 PolarHBondContact O-N 2.76Å |
| 1235 | L | 94.1 | Very high | 91.6 | Very high | 29 Ų | 29 | 54 Ų | 54 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.8 | -37.7 | 171 | -68.5 | 176.1 | 0 | 0 | 0 | 112.6 | E1231 F1232 H1233 Q1243 H1244 K1246 A1247 | E1231-L1235 WeakPolarHBondContact O-CG 3.4Å; E1231-L1235 PolarHBondContact O-N 2.88Å; F1232-L1235 PolarHBondContact O-N 3.23Å; F1232-L1235 VanDerWaalsContact O-N 3.16Å; H1233-L1235 VanDerWaalsContact C-N 3.33Å; H1233-L1235 PolarHBondContact O-N 2.95Å; L1235-Q1243 HydrophobicContact CD2-CB 3.88Å; L1235-Q1243 HydrophobicContact CD2-CG 4.44Å; L1235-H1244 PolarHBondContact O-CD2 3.43Å; L1235-K1246 HydrophobicContact CD1-CB 4.42Å; L1235-K1246 HydrophobicContact CD2-CD 4.42Å; L1235-A1247 HydrophobicContact CB-CB 4.05Å |
| 1236 | L | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -41 | 178.8 | -75.9 | 169 | 0 | 0 | 0 | 112.7 | F1223 T1228 F1232 H1233 A1247 W1274 | F1223-L1236 HydrophobicContact CD1-CD1 3.71Å; F1223-L1236 HydrophobicContact CE1-CD1 3.64Å; F1223-L1236 HydrophobicContact CG-CD1 4.39Å; F1223-L1236 HydrophobicContact CZ-CD1 4.26Å; T1228-L1236 HydrophobicContact CG2-CD1 4.44Å; F1232-L1236 HydrophobicContact CD1-CD1 4.05Å; F1232-L1236 HydrophobicContact CD2-CG 4.35Å; F1232-L1236 HydrophobicContact CE1-CD1 3.59Å; F1232-L1236 HydrophobicContact CE1-CG 4.23Å; F1232-L1236 HydrophobicContact CE2-CD1 4.21Å; F1232-L1236 HydrophobicContact CE2-CD2 4.12Å; F1232-L1236 HydrophobicContact CE2-CG 3.92Å; F1232-L1236 HydrophobicContact CZ-CD1 3.67Å; F1232-L1236 HydrophobicContact CZ-CD2 3.93Å; F1232-L1236 HydrophobicContact CZ-CG 3.83Å; F1232-L1236 WeakPolarHBondContact O-CG 3.39Å; F1232-L1236 PolarHBondContact O-N 2.78Å; H1233-L1236 PolarHBondContact O-N 3.17Å; L1236-A1247 HydrophobicContact CD2-CB 3.88Å; L1236-A1247 HydrophobicContact CG-CB 4.23Å; L1236-W1274 HydrophobicContact CD2-CD2 3.75Å; L1236-W1274 VanDerWaalsContact CD2-CE2 3.5Å; L1236-W1274 HydrophobicContact CD2-CE3 4.18Å; L1236-W1274 HydrophobicContact CD2-CG 4.21Å; L1236-W1274 HydrophobicContact CD2-CH2 4.15Å; L1236-W1274 HydrophobicContact CD2-CZ2 3.72Å; L1236-W1274 HydrophobicContact CD2-CZ3 4.37Å; L1236-W1274 WeakPolarHBondContact O-CZ2 3.49Å; L1236-W1274 PolarHBondContact O-NE1 2.86Å |
| 1237 | F | 94.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 28 | -173.2 | -65.9 | -84 | 0 | 0 | 0 | 113.4 | I1216 L1219 F1223 H1233 W1274 L1277 | I1216-F1237 HydrophobicContact CG2-CD1 4.25Å; I1216-F1237 HydrophobicContact CG2-CE1 4.46Å; L1219-F1237 HydrophobicContact CB-CE1 4.49Å; L1219-F1237 HydrophobicContact CB-CZ 4.46Å; L1219-F1237 HydrophobicContact CD2-CE1 4.46Å; L1219-F1237 HydrophobicContact CD2-CZ 4.3Å; L1219-F1237 HydrophobicContact CG-CZ 4.13Å; F1223-F1237 HydrophobicContact CB-CE2 4.18Å; F1223-F1237 AromaticContact CD2-CE2 3.77Å; F1223-F1237 HydrophobicContact CD2-CE2 3.77Å; F1223-F1237 AromaticContact CD2-CZ 3.72Å; F1223-F1237 HydrophobicContact CD2-CZ 3.72Å; F1223-F1237 HydrophobicContact CE2-CE2 4.38Å; F1223-F1237 HydrophobicContact CE2-CZ 4.14Å; F1223-F1237 HydrophobicContact CG-CE2 4.05Å; F1223-F1237 HydrophobicContact CG-CZ 4.44Å; H1233-F1237 AromaticContact CD2-CD2 3.7Å; H1233-F1237 AromaticContact CD2-CE2 3.92Å; H1233-F1237 AromaticContact NE2-CD2 3.56Å; H1233-F1237 AromaticContact NE2-CE2 3.92Å; H1233-F1237 PolarHBondContact O-N 3.37Å; F1237-W1274 AromaticContact CZ-CD1 3.88Å; F1237-L1277 HydrophobicContact CE1-CD1 4.49Å |
| 1238 | H | 93.7 | Very high | 92.1 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | trans | -71.1 | 173.1 | 174.9 | -149.7 | -88.8 | 0 | 0 | 0 | 112.3 | A1234 D1240 Q1243 H1244 | A1234-H1238 WeakPolarHBondContact O-CB 3.37Å; A1234-H1238 PolarHBondContact O-N 2.76Å; H1238-D1240 WeakPolarHBondContact ND1-CB 3.2Å; H1238-D1240 PolarHBondContact ND1-N 3.37Å; H1238-Q1243 HydrophobicContact CB-CB 3.84Å; H1238-Q1243 HydrophobicContact CB-CG 4.19Å; H1238-H1244 PolarHBondContact O-CE1 3.03Å; H1238-H1244 PolarHBondContact O-NE2 2.99Å | ||
| 1239 | T | 86.3 | Confident | 92.2 | Very high | 141 Ų | 141 | 56.6 Ų | 56.6 | 87% | 0.865 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -95.8 | 1.7 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1240 | D | 85.7 | Confident | 92.4 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -120.3 | 121.5 | -175.1 | 178.3 | 7.3 | 0 | 0 | 0 | 110.5 | H1238 K1242 Q1243 H1244 | H1238-D1240 WeakPolarHBondContact ND1-CB 3.2Å; H1238-D1240 PolarHBondContact ND1-N 3.37Å; D1240-K1242 PolarHBondContact O-N 3.19Å; D1240-K1242 VanDerWaalsContact O-N 3.13Å; D1240-K1242 WeakPolarHBondContact OD1-CB 3.43Å; D1240-K1242 WeakPolarHBondContact OD1-CG 3.42Å; D1240-K1242 PolarHBondContact OD1-N 2.84Å; D1240-Q1243 HydrophobicContact CB-CG 4.13Å; D1240-Q1243 WeakPolarHBondContact O-CB 3.48Å; D1240-Q1243 PolarHBondContact O-N 3.46Å; D1240-H1244 PolarHBondContact O-N 2.88Å | ||
| 1241 | F | 89.7 | Confident | 92.6 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.3 | -25.8 | 177.8 | 76.2 | -91.4 | 0 | 0 | 0 | 113.6 | Q1243 H1244 I1245 N1283 V1286 | F1241-Q1243 VanDerWaalsContact C-N 3.29Å; F1241-Q1243 PolarHBondContact O-N 3.14Å; F1241-H1244 PolarHBondContact O-N 2.75Å; F1241-I1245 HydrophobicContact CD2-CD1 3.91Å; F1241-I1245 HydrophobicContact CE2-CD1 4.3Å; F1241-I1245 WeakPolarHBondContact O-CG1 3.34Å; F1241-I1245 PolarHBondContact O-N 3.33Å; F1241-N1283 WeakPolarHBondContact CD2-ND2 3.32Å; F1241-N1283 WeakPolarHBondContact CG-ND2 3.36Å; F1241-V1286 HydrophobicContact CB-CG2 3.83Å; F1241-V1286 HydrophobicContact CD2-CG2 4.36Å |
| 1242 | K | 90.6 | Very high | 92.8 | Very high | 127 Ų | 127 | 46.7 Ų | 46.7 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.8 | -33.5 | 175 | -62.8 | 173.9 | -178.1 | 172.4 | 0 | 112 | D1240 K1246 | D1240-K1242 PolarHBondContact O-N 3.19Å; D1240-K1242 VanDerWaalsContact O-N 3.13Å; D1240-K1242 WeakPolarHBondContact OD1-CB 3.43Å; D1240-K1242 WeakPolarHBondContact OD1-CG 3.42Å; D1240-K1242 PolarHBondContact OD1-N 2.84Å; K1242-K1246 PolarHBondContact O-N 2.94Å |
| 1243 | Q | 93.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 20% | 0.201 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.8 | -35.8 | 175.3 | -49.4 | -68.1 | 31.9 | 0 | 0 | 110.4 | L1235 H1238 D1240 F1241 I1245 K1246 A1247 | L1235-Q1243 HydrophobicContact CD2-CB 3.88Å; L1235-Q1243 HydrophobicContact CD2-CG 4.44Å; H1238-Q1243 HydrophobicContact CB-CB 3.84Å; H1238-Q1243 HydrophobicContact CB-CG 4.19Å; D1240-Q1243 HydrophobicContact CB-CG 4.13Å; D1240-Q1243 WeakPolarHBondContact O-CB 3.48Å; D1240-Q1243 PolarHBondContact O-N 3.46Å; F1241-Q1243 VanDerWaalsContact C-N 3.29Å; F1241-Q1243 PolarHBondContact O-N 3.14Å; Q1243-I1245 VanDerWaalsContact C-N 3.31Å; Q1243-I1245 PolarHBondContact O-N 3.42Å; Q1243-K1246 PolarHBondContact O-N 2.98Å; Q1243-A1247 PolarHBondContact O-N 3.12Å |
| 1244 | H | 93.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 170.8 | -54.3 | 152.4 | 0 | 0 | 0 | 112.3 | L1235 H1238 D1240 F1241 A1247 I1248 W1274 R1278 E1281 | L1235-H1244 PolarHBondContact O-CD2 3.43Å; H1238-H1244 PolarHBondContact O-CE1 3.03Å; H1238-H1244 PolarHBondContact O-NE2 2.99Å; D1240-H1244 PolarHBondContact O-N 2.88Å; F1241-H1244 PolarHBondContact O-N 2.75Å; H1244-A1247 WeakPolarHBondContact O-CB 3.33Å; H1244-A1247 PolarHBondContact O-N 2.98Å; H1244-I1248 WeakPolarHBondContact O-CD1 3.32Å; H1244-I1248 VanDerWaalsContact O-CG1 3.29Å; H1244-I1248 WeakPolarHBondContact O-CG1 3.43Å; H1244-I1248 PolarHBondContact O-N 3.09Å; H1244-W1274 HydrophobicContact CB-CH2 4.15Å; H1244-W1274 HydrophobicContact CB-CZ2 4.2Å; H1244-R1278 PolarHBondContact CD2-NH1 3.38Å; H1244-R1278 PolarHBondContact CE1-NH1 3.46Å; H1244-R1278 PolarHBondContact ND1-NH1 3.32Å; H1244-R1278 PolarHBondContact NE2-NH1 3.08Å; H1244-E1281 IonicContact CE1-OE2 2.77Å; H1244-E1281 IonicContact ND1-OE2 3.23Å |
| 1245 | I | 94 | Very high | 92.1 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 173.8 | -69.8 | 165.5 | 0 | 0 | 0 | 110.8 | F1241 Q1243 A1247 I1248 E1249 V1285 V1286 | F1241-I1245 HydrophobicContact CD2-CD1 3.91Å; F1241-I1245 HydrophobicContact CE2-CD1 4.3Å; F1241-I1245 WeakPolarHBondContact O-CG1 3.34Å; F1241-I1245 PolarHBondContact O-N 3.33Å; Q1243-I1245 VanDerWaalsContact C-N 3.31Å; Q1243-I1245 PolarHBondContact O-N 3.42Å; I1245-A1247 VanDerWaalsContact C-N 3.31Å; I1245-A1247 PolarHBondContact O-N 3.15Å; I1245-I1248 PolarHBondContact O-N 3.07Å; I1245-E1249 WeakPolarHBondContact O-CG 3.47Å; I1245-E1249 PolarHBondContact O-N 3.23Å; I1245-V1285 HydrophobicContact CD1-CB 4.49Å; I1245-V1285 HydrophobicContact CD1-CG1 3.84Å; I1245-V1286 HydrophobicContact CD1-CG2 4.44Å; I1245-V1286 HydrophobicContact CG1-CG2 4.15Å |
| 1246 | K | 94.1 | Very high | 91.7 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 173.9 | -66.2 | 177.3 | -168.9 | 164.1 | 0 | 112.7 | L1235 K1242 Q1243 I1248 E1249 Q1250 | L1235-K1246 HydrophobicContact CD1-CB 4.42Å; L1235-K1246 HydrophobicContact CD2-CD 4.42Å; K1242-K1246 PolarHBondContact O-N 2.94Å; Q1243-K1246 PolarHBondContact O-N 2.98Å; K1246-I1248 VanDerWaalsContact C-N 3.34Å; K1246-E1249 PolarHBondContact O-N 2.88Å; K1246-Q1250 PolarHBondContact O-N 3.37Å |
| 1247 | A | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1232 L1235 L1236 Q1243 H1244 I1245 E1249 Q1250 L1251 W1274 | F1232-A1247 HydrophobicContact CD2-CB 4.46Å; F1232-A1247 HydrophobicContact CE2-CB 3.95Å; L1235-A1247 HydrophobicContact CB-CB 4.05Å; L1236-A1247 HydrophobicContact CD2-CB 3.88Å; L1236-A1247 HydrophobicContact CG-CB 4.23Å; Q1243-A1247 PolarHBondContact O-N 3.12Å; H1244-A1247 WeakPolarHBondContact O-CB 3.33Å; H1244-A1247 PolarHBondContact O-N 2.98Å; I1245-A1247 VanDerWaalsContact C-N 3.31Å; I1245-A1247 PolarHBondContact O-N 3.15Å; A1247-E1249 VanDerWaalsContact C-N 3.35Å; A1247-Q1250 PolarHBondContact O-N 3.15Å; A1247-L1251 WeakPolarHBondContact O-CG 3.21Å; A1247-L1251 PolarHBondContact O-N 3.1Å; A1247-W1274 HydrophobicContact CB-CH2 4.42Å |
| 1248 | I | 95.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -36 | 174.4 | -62.6 | 157.8 | 0 | 0 | 0 | 111.2 | H1244 I1245 K1246 L1251 S1252 W1274 V1286 R1289 C1290 | H1244-I1248 WeakPolarHBondContact O-CD1 3.32Å; H1244-I1248 VanDerWaalsContact O-CG1 3.29Å; H1244-I1248 WeakPolarHBondContact O-CG1 3.43Å; H1244-I1248 PolarHBondContact O-N 3.09Å; I1245-I1248 PolarHBondContact O-N 3.07Å; K1246-I1248 VanDerWaalsContact C-N 3.34Å; I1248-L1251 PolarHBondContact O-N 3.23Å; I1248-S1252 WeakPolarHBondContact O-CB 3.35Å; I1248-S1252 PolarHBondContact O-N 3.27Å; I1248-S1252 PolarHBondContact O-OG 3.05Å; I1248-W1274 HydrophobicContact CD1-CH2 4.21Å; I1248-W1274 HydrophobicContact CD1-CZ3 4.23Å; I1248-W1274 HydrophobicContact CG1-CH2 3.89Å; I1248-W1274 HydrophobicContact CG1-CZ3 3.75Å; I1248-V1286 HydrophobicContact CD1-CG1 4.07Å; I1248-R1289 HydrophobicContact CD1-CB 4.25Å; I1248-R1289 HydrophobicContact CG2-CB 3.96Å; I1248-R1289 WeakPolarHBondContact CG2-O 3.27Å; I1248-C1290 VanDerWaalsContact CD1-SG 3.53Å |
| 1249 | E | 94.4 | Very high | 90 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 174.1 | -72.5 | 172.6 | 164.8 | 0 | 0 | 111.9 | I1245 K1246 A1247 S1252 Q1253 R1289 | I1245-E1249 WeakPolarHBondContact O-CG 3.47Å; I1245-E1249 PolarHBondContact O-N 3.23Å; K1246-E1249 PolarHBondContact O-N 2.88Å; A1247-E1249 VanDerWaalsContact C-N 3.35Å; E1249-S1252 WeakPolarHBondContact O-CB 3.5Å; E1249-S1252 PolarHBondContact O-N 3.42Å; E1249-Q1253 VanDerWaalsContact O-CG 3.31Å; E1249-Q1253 WeakPolarHBondContact O-CG 3.34Å; E1249-Q1253 PolarHBondContact O-N 3.03Å; E1249-R1289 IonicContact OE1-CZ 3.39Å; E1249-R1289 VanDerWaalsContact OE1-CZ 3.24Å; E1249-R1289 IonicContact OE1-NH1 2.75Å; E1249-R1289 PolarHBondContact OE1-NH1 3.38Å; E1249-R1289 IonicContact OE1-NH2 2.68Å; E1249-R1289 PolarHBondContact OE1-NH2 2.92Å |
| 1250 | Q | 92.8 | Very high | 90 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 174.1 | -73.3 | -176.5 | -9.1 | 0 | 0 | 112.6 | F1232 K1246 A1247 S1252 Q1253 L1254 | F1232-Q1250 HydrophobicContact CD2-CB 4.32Å; F1232-Q1250 VanDerWaalsContact CD2-OE1 3.25Å; F1232-Q1250 HydrophobicContact CE2-CB 4.22Å; K1246-Q1250 PolarHBondContact O-N 3.37Å; A1247-Q1250 PolarHBondContact O-N 3.15Å; Q1250-S1252 VanDerWaalsContact C-N 3.32Å; Q1250-S1252 PolarHBondContact O-N 3.3Å; Q1250-Q1253 PolarHBondContact O-N 3.46Å; Q1250-L1254 PolarHBondContact O-N 3.3Å |
| 1251 | L | 92.8 | Very high | 90 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 170.4 | -76.1 | 173.3 | 0 | 0 | 0 | 111.9 | F1232 A1247 I1248 Q1253 L1254 L1255 I1271 Y1293 | F1232-L1251 HydrophobicContact CE1-CD2 4.37Å; F1232-L1251 HydrophobicContact CE2-CG 4.25Å; F1232-L1251 HydrophobicContact CZ-CD1 4.41Å; F1232-L1251 HydrophobicContact CZ-CD2 3.69Å; F1232-L1251 HydrophobicContact CZ-CG 3.73Å; A1247-L1251 WeakPolarHBondContact O-CG 3.21Å; A1247-L1251 PolarHBondContact O-N 3.1Å; I1248-L1251 PolarHBondContact O-N 3.23Å; L1251-Q1253 VanDerWaalsContact C-N 3.34Å; L1251-Q1253 PolarHBondContact O-N 3.19Å; L1251-L1254 VanDerWaalsContact O-CB 3.31Å; L1251-L1254 WeakPolarHBondContact O-CB 3.31Å; L1251-L1254 PolarHBondContact O-N 2.66Å; L1251-L1255 PolarHBondContact O-N 3.48Å; L1251-I1271 HydrophobicContact CD1-CG2 4.43Å; L1251-I1271 HydrophobicContact CD2-CD1 4.23Å; L1251-Y1293 HydrophobicContact CB-CD2 4.08Å; L1251-Y1293 HydrophobicContact CB-CE2 3.58Å; L1251-Y1293 HydrophobicContact CD1-CE1 4.39Å; L1251-Y1293 WeakPolarHBondContact O-CE2 3.43Å |
| 1252 | S | 93.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 112 | I1248 E1249 Q1250 L1255 D1256 K1296 | I1248-S1252 WeakPolarHBondContact O-CB 3.35Å; I1248-S1252 PolarHBondContact O-N 3.27Å; I1248-S1252 PolarHBondContact O-OG 3.05Å; E1249-S1252 WeakPolarHBondContact O-CB 3.5Å; E1249-S1252 PolarHBondContact O-N 3.42Å; Q1250-S1252 VanDerWaalsContact C-N 3.32Å; Q1250-S1252 PolarHBondContact O-N 3.3Å; S1252-L1255 PolarHBondContact O-N 3.04Å; S1252-D1256 VanDerWaalsContact O-OD2 3.12Å; S1252-K1296 PolarHBondContact O-NZ 3.25Å |
| 1253 | Q | 89.8 | Confident | 89.8 | Confident | 123 Ų | 123 | 49.1 Ų | 49.1 | 58% | 0.575 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -70 | -31.9 | 172.8 | -71.5 | 167.1 | -0.6 | 0 | 0 | 112.6 | E1249 Q1250 L1251 L1255 D1256 | E1249-Q1253 VanDerWaalsContact O-CG 3.31Å; E1249-Q1253 WeakPolarHBondContact O-CG 3.34Å; E1249-Q1253 PolarHBondContact O-N 3.03Å; Q1250-Q1253 PolarHBondContact O-N 3.46Å; L1251-Q1253 VanDerWaalsContact C-N 3.34Å; L1251-Q1253 PolarHBondContact O-N 3.19Å; Q1253-L1255 PolarHBondContact O-N 2.94Å; Q1253-D1256 WeakPolarHBondContact CA-OD2 3.33Å; Q1253-D1256 WeakPolarHBondContact O-CB 3.33Å; Q1253-D1256 PolarHBondContact O-N 2.97Å |
| 1254 | L | 87 | Confident | 89.7 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -37.6 | 175 | -153.6 | 67.5 | 0 | 0 | 0 | 110.8 | L1184 Q1250 L1251 D1256 T1257 G1260 C1261 | L1184-L1254 HydrophobicContact CB-CD2 4.12Å; L1184-L1254 HydrophobicContact CD2-CD2 4.45Å; Q1250-L1254 PolarHBondContact O-N 3.3Å; L1251-L1254 VanDerWaalsContact O-CB 3.31Å; L1251-L1254 WeakPolarHBondContact O-CB 3.31Å; L1251-L1254 PolarHBondContact O-N 2.66Å; L1254-D1256 PolarHBondContact O-N 3.48Å; L1254-T1257 PolarHBondContact O-N 3.27Å; L1254-T1257 PolarHBondContact O-OG1 3.38Å; L1254-G1260 CarbonylContact O-C 3.56Å; L1254-G1260 VanDerWaalsContact O-C 3.27Å; L1254-G1260 VanDerWaalsContact O-CA 3.27Å; L1254-G1260 WeakPolarHBondContact O-CA 3.47Å; L1254-C1261 PolarHBondContact O-N 2.79Å |
| 1255 | L | 88.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -0.3 | 173.2 | -71.3 | 176.9 | 0 | 0 | 0 | 115.4 | L1251 S1252 Q1253 C1261 T1264 Y1293 K1296 L1297 | L1251-L1255 PolarHBondContact O-N 3.48Å; S1252-L1255 PolarHBondContact O-N 3.04Å; Q1253-L1255 PolarHBondContact O-N 2.94Å; L1255-C1261 PolarHBondContact O-SG 3.05Å; L1255-T1264 HydrophobicContact CD2-CG2 3.88Å; L1255-T1264 HydrophobicContact CG-CG2 4.39Å; L1255-Y1293 HydrophobicContact CD1-CD2 4.03Å; L1255-Y1293 HydrophobicContact CD1-CE2 3.44Å; L1255-Y1293 VanDerWaalsContact CD1-CE2 3.44Å; L1255-Y1293 HydrophobicContact CG-CE2 4.13Å; L1255-K1296 HydrophobicContact CB-CD 4.05Å; L1255-K1296 HydrophobicContact CD1-CB 4.32Å; L1255-K1296 HydrophobicContact CD1-CD 4.13Å; L1255-K1296 HydrophobicContact CD1-CG 4.04Å; L1255-L1297 HydrophobicContact CD1-CB 3.99Å; L1255-L1297 HydrophobicContact CD1-CD1 4.38Å; L1255-L1297 HydrophobicContact CD2-CD1 4.17Å |
| 1256 | D | 87.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 48 Ų | 48 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 3.4 | 171.2 | -65.2 | -56.9 | 0 | 0 | 0 | 112.6 | S1252 Q1253 L1254 K1296 | S1252-D1256 VanDerWaalsContact O-OD2 3.12Å; Q1253-D1256 WeakPolarHBondContact CA-OD2 3.33Å; Q1253-D1256 WeakPolarHBondContact O-CB 3.33Å; Q1253-D1256 PolarHBondContact O-N 2.97Å; L1254-D1256 PolarHBondContact O-N 3.48Å; D1256-K1296 IonicContact OD1-NZ 2.77Å; D1256-K1296 PolarHBondContact OD1-NZ 3.46Å; D1256-K1296 IonicContact OD2-NZ 3.38Å; D1256-K1296 PolarHBondContact OD2-NZ 3.37Å |
| 1257 | T | 85.5 | Confident | 89.5 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -130.4 | 140.4 | -177.1 | 66.9 | 0 | 0 | 0 | 0 | 111.3 | L1254 E1259 G1260 C1261 | L1254-T1257 PolarHBondContact O-N 3.27Å; L1254-T1257 PolarHBondContact O-OG1 3.38Å; T1257-E1259 PolarHBondContact O-N 3.25Å; T1257-G1260 PolarHBondContact O-N 3.46Å; T1257-G1260 WeakPolarHBondContact OG1-CA 3.42Å; T1257-G1260 PolarHBondContact OG1-N 3.01Å; T1257-C1261 WeakPolarHBondContact O-CB 3.4Å; T1257-C1261 PolarHBondContact O-N 2.96Å; T1257-C1261 PolarHBondContact O-SG 3.24Å; T1257-C1261 VanDerWaalsContact O-SG 3.38Å |
| 1258 | T | 80.5 | Confident | 89.5 | Confident | 124 Ų | 124 | 43.4 Ų | 43.4 | 76% | 0.761 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.5 | -42.2 | -176.1 | -45.5 | 0 | 0 | 0 | 0 | 112.8 | C1261 E1262 | T1258-C1261 PolarHBondContact O-N 3Å; T1258-E1262 PolarHBondContact O-N 2.88Å; T1258-E1262 VanDerWaalsContact O-N 3.17Å |
| 1259 | E | 80.5 | Confident | 89.4 | Confident | 133 Ų | 133 | 43.4 Ų | 43.4 | 62% | 0.621 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.9 | -41.5 | 175.7 | -61.6 | -176.3 | 175.5 | 0 | 0 | 111.9 | T1257 E1262 A1263 | T1257-E1259 PolarHBondContact O-N 3.25Å; E1259-E1262 PolarHBondContact O-N 3.24Å; E1259-A1263 WeakPolarHBondContact O-CB 3.44Å; E1259-A1263 PolarHBondContact O-N 3.12Å |
| 1260 | G | 86.3 | Confident | 89.5 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1254 T1257 A1263 T1264 | L1254-G1260 CarbonylContact O-C 3.56Å; L1254-G1260 VanDerWaalsContact O-C 3.27Å; L1254-G1260 VanDerWaalsContact O-CA 3.27Å; L1254-G1260 WeakPolarHBondContact O-CA 3.47Å; T1257-G1260 PolarHBondContact O-N 3.46Å; T1257-G1260 WeakPolarHBondContact OG1-CA 3.42Å; T1257-G1260 PolarHBondContact OG1-N 3.01Å; G1260-A1263 PolarHBondContact O-N 3.37Å; G1260-T1264 VanDerWaalsContact O-CB 3.3Å; G1260-T1264 WeakPolarHBondContact O-CB 3.38Å; G1260-T1264 PolarHBondContact O-N 2.99Å; G1260-T1264 PolarHBondContact O-OG1 2.84Å |
| 1261 | C | 86.3 | Confident | 89.6 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 169.1 | -76.7 | 0 | 0 | 0 | 0 | 112 | L1254 L1255 T1257 T1258 A1263 T1264 V1265 Y1300 | L1254-C1261 PolarHBondContact O-N 2.79Å; L1255-C1261 PolarHBondContact O-SG 3.05Å; T1257-C1261 WeakPolarHBondContact O-CB 3.4Å; T1257-C1261 PolarHBondContact O-N 2.96Å; T1257-C1261 PolarHBondContact O-SG 3.24Å; T1257-C1261 VanDerWaalsContact O-SG 3.38Å; T1258-C1261 PolarHBondContact O-N 3Å; C1261-A1263 VanDerWaalsContact C-N 3.34Å; C1261-A1263 PolarHBondContact O-N 2.86Å; C1261-T1264 PolarHBondContact O-N 3.44Å; C1261-V1265 WeakPolarHBondContact O-CG2 3.42Å; C1261-V1265 PolarHBondContact O-N 3.15Å; C1261-Y1300 HydrophobicContact CB-CD1 4.41Å; C1261-Y1300 HydrophobicContact CB-CE1 3.67Å; C1261-Y1300 HydrophobicContact CB-CE2 4.2Å |
| 1262 | E | 86.1 | Confident | 89.8 | Confident | 87 Ų | 87 | 37.2 Ų | 37.2 | 41% | 0.407 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | 176.8 | -157.9 | -163.5 | 169.9 | 0 | 0 | 110.9 | K1188 T1258 E1259 T1264 V1265 I1266 | K1188-E1262 WeakPolarHBondContact CE-OE1 3.5Å; K1188-E1262 IonicContact NZ-OE1 2.62Å; K1188-E1262 PolarHBondContact NZ-OE1 2.94Å; T1258-E1262 PolarHBondContact O-N 2.88Å; T1258-E1262 VanDerWaalsContact O-N 3.17Å; E1259-E1262 PolarHBondContact O-N 3.24Å; E1262-T1264 VanDerWaalsContact C-N 3.28Å; E1262-T1264 PolarHBondContact O-N 2.89Å; E1262-V1265 PolarHBondContact O-N 2.95Å; E1262-I1266 HydrophobicContact CG-CD1 3.8Å; E1262-I1266 WeakPolarHBondContact O-CB 3.48Å; E1262-I1266 WeakPolarHBondContact O-CD1 3.26Å; E1262-I1266 VanDerWaalsContact O-CG1 3.26Å; E1262-I1266 WeakPolarHBondContact O-CG1 3.47Å; E1262-I1266 PolarHBondContact O-N 3.33Å |
| 1263 | A | 89.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1184 P1186 E1259 G1260 C1261 N1267 | L1184-A1263 VanDerWaalsContact O-CB 3.22Å; L1184-A1263 WeakPolarHBondContact O-CB 3.27Å; P1186-A1263 HydrophobicContact CB-CB 4.03Å; E1259-A1263 WeakPolarHBondContact O-CB 3.44Å; E1259-A1263 PolarHBondContact O-N 3.12Å; G1260-A1263 PolarHBondContact O-N 3.37Å; C1261-A1263 VanDerWaalsContact C-N 3.34Å; C1261-A1263 PolarHBondContact O-N 2.86Å; A1263-N1267 WeakPolarHBondContact O-CB 3.4Å; A1263-N1267 PolarHBondContact O-N 3.2Å; A1263-N1267 VanDerWaalsContact O-N 3.12Å; A1263-N1267 PolarHBondContact O-ND2 2.91Å |
| 1264 | T | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -48.1 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | L1255 G1260 C1261 E1262 I1266 N1267 V1268 I1271 Y1293 L1297 | L1255-T1264 HydrophobicContact CD2-CG2 3.88Å; L1255-T1264 HydrophobicContact CG-CG2 4.39Å; G1260-T1264 VanDerWaalsContact O-CB 3.3Å; G1260-T1264 WeakPolarHBondContact O-CB 3.38Å; G1260-T1264 PolarHBondContact O-N 2.99Å; G1260-T1264 PolarHBondContact O-OG1 2.84Å; C1261-T1264 PolarHBondContact O-N 3.44Å; E1262-T1264 VanDerWaalsContact C-N 3.28Å; E1262-T1264 PolarHBondContact O-N 2.89Å; T1264-I1266 VanDerWaalsContact C-N 3.3Å; T1264-I1266 PolarHBondContact O-N 3.39Å; T1264-N1267 CarbonylContact O-C 3.56Å; T1264-N1267 PolarHBondContact O-N 3.08Å; T1264-N1267 VanDerWaalsContact O-N 3.12Å; T1264-V1268 PolarHBondContact O-N 2.95Å; T1264-I1271 HydrophobicContact CG2-CD1 3.9Å; T1264-Y1293 VanDerWaalsContact CG2-OH 3.24Å; T1264-Y1293 WeakPolarHBondContact CG2-OH 3.33Å; T1264-L1297 HydrophobicContact CG2-CD1 3.62Å |
| 1265 | V | 90.9 | Very high | 90.6 | Very high | 34 Ų | 34 | 29.3 Ų | 29.3 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -32.6 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | K1191 C1261 E1262 V1268 Y1300 M1301 A1306 | K1191-V1265 PolarHBondContact NZ-O 3.04Å; C1261-V1265 WeakPolarHBondContact O-CG2 3.42Å; C1261-V1265 PolarHBondContact O-N 3.15Å; E1262-V1265 PolarHBondContact O-N 2.95Å; V1265-V1268 WeakPolarHBondContact O-CG1 3.4Å; V1265-Y1300 HydrophobicContact CG2-CD1 4.25Å; V1265-Y1300 HydrophobicContact CG2-CE1 3.93Å; V1265-M1301 HydrophobicContact CG2-CG 4.12Å; V1265-A1306 HydrophobicContact CG1-CB 4.17Å |
| 1266 | I | 91.9 | Very high | 90.8 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.077 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.1 | -32.4 | 173.3 | -69.6 | 160.5 | 0 | 0 | 0 | 111.8 | P1186 K1188 K1191 E1262 T1264 | P1186-I1266 HydrophobicContact CB-CD1 3.45Å; P1186-I1266 VanDerWaalsContact CB-CD1 3.45Å; K1188-I1266 HydrophobicContact CD-CD1 4.25Å; K1188-I1266 VanDerWaalsContact CE-CD1 3.4Å; K1188-I1266 HydrophobicContact CG-CD1 3.72Å; K1188-I1266 HydrophobicContact CG-CG1 4.15Å; K1188-I1266 HydrophobicContact CG-CG2 4.34Å; K1191-I1266 HydrophobicContact CB-CG2 4.31Å; K1191-I1266 WeakPolarHBondContact CD-O 3.29Å; K1191-I1266 WeakPolarHBondContact CE-O 3.25Å; K1191-I1266 WeakPolarHBondContact CG-O 3.42Å; K1191-I1266 PolarHBondContact NZ-O 3.25Å; E1262-I1266 HydrophobicContact CG-CD1 3.8Å; E1262-I1266 WeakPolarHBondContact O-CB 3.48Å; E1262-I1266 WeakPolarHBondContact O-CD1 3.26Å; E1262-I1266 VanDerWaalsContact O-CG1 3.26Å; E1262-I1266 WeakPolarHBondContact O-CG1 3.47Å; E1262-I1266 PolarHBondContact O-N 3.33Å; T1264-I1266 VanDerWaalsContact C-N 3.3Å; T1264-I1266 PolarHBondContact O-N 3.39Å |
| 1267 | N | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -106.6 | 13.3 | -178.5 | -65.1 | -67.2 | 0 | 0 | 0 | 114.4 | L1184 P1185 R1194 A1263 T1264 D1269 I1270 I1271 | L1184-N1267 HydrophobicContact CD1-CB 4.49Å; L1184-N1267 HydrophobicContact CD2-CB 3.96Å; L1184-N1267 HydrophobicContact CG-CB 4.41Å; P1185-N1267 PolarHBondContact O-ND2 3.36Å; R1194-N1267 PolarHBondContact NH1-OD1 2.95Å; R1194-N1267 PolarHBondContact NH2-OD1 3.14Å; A1263-N1267 WeakPolarHBondContact O-CB 3.4Å; A1263-N1267 PolarHBondContact O-N 3.2Å; A1263-N1267 VanDerWaalsContact O-N 3.12Å; A1263-N1267 PolarHBondContact O-ND2 2.91Å; T1264-N1267 CarbonylContact O-C 3.56Å; T1264-N1267 PolarHBondContact O-N 3.08Å; T1264-N1267 VanDerWaalsContact O-N 3.12Å; N1267-D1269 PolarHBondContact O-N 3.03Å; N1267-D1269 VanDerWaalsContact O-N 3.09Å; N1267-I1270 HydrophobicContact CB-CD1 4.14Å; N1267-I1270 HydrophobicContact CB-CG1 3.96Å; N1267-I1270 WeakPolarHBondContact O-CG1 3.2Å; N1267-I1270 PolarHBondContact O-N 3.44Å; N1267-I1271 HydrophobicContact CB-CD1 4.27Å; N1267-I1271 WeakPolarHBondContact O-CG1 3.45Å; N1267-I1271 PolarHBondContact O-N 3.44Å |
| 1268 | V | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.2 | -30.1 | -179.2 | 71 | 0 | 0 | 0 | 0 | 112.8 | T1264 V1265 I1270 I1271 L1272 L1297 M1301 E1312 | T1264-V1268 PolarHBondContact O-N 2.95Å; V1265-V1268 WeakPolarHBondContact O-CG1 3.4Å; V1268-I1270 VanDerWaalsContact C-N 3.32Å; V1268-I1270 PolarHBondContact O-N 3.03Å; V1268-I1271 PolarHBondContact O-N 3.42Å; V1268-L1272 HydrophobicContact CG2-CD1 3.78Å; V1268-L1272 HydrophobicContact CG2-CG 3.8Å; V1268-L1272 WeakPolarHBondContact O-CB 3.47Å; V1268-L1272 WeakPolarHBondContact O-CG 3.22Å; V1268-L1272 PolarHBondContact O-N 2.64Å; V1268-L1297 HydrophobicContact CG2-CD2 4.21Å; V1268-M1301 HydrophobicContact CG2-SD 4.12Å; V1268-E1312 HydrophobicContact CG1-CG 4.28Å; V1268-E1312 WeakPolarHBondContact CG1-OE1 3.38Å |
| 1269 | D | 93.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.9 | -26.4 | 177.1 | 72.3 | -65 | 0 | 0 | 0 | 114.3 | R1194 N1267 R1273 E1312 | R1194-D1269 IonicContact CZ-OD1 3.74Å; R1194-D1269 IonicContact CZ-OD2 3.81Å; R1194-D1269 IonicContact NE-OD1 3.17Å; R1194-D1269 PolarHBondContact NE-OD1 3.49Å; R1194-D1269 IonicContact NE-OD2 3.29Å; R1194-D1269 PolarHBondContact NE-OD2 2.8Å; R1194-D1269 IonicContact NH2-OD1 2.83Å; R1194-D1269 PolarHBondContact NH2-OD1 3.48Å; R1194-D1269 IonicContact NH2-OD2 2.72Å; N1267-D1269 PolarHBondContact O-N 3.03Å; N1267-D1269 VanDerWaalsContact O-N 3.09Å; D1269-R1273 VanDerWaalsContact O-CD 3.27Å; D1269-R1273 WeakPolarHBondContact O-CD 3.34Å; D1269-R1273 VanDerWaalsContact O-CG 3.23Å; D1269-R1273 WeakPolarHBondContact O-CG 3.27Å; D1269-R1273 PolarHBondContact O-NH1 3.03Å; D1269-R1273 IonicContact OD2-NH1 4Å; D1269-R1273 PolarHBondContact OD2-NH1 2.99Å; D1269-E1312 HydrophobicContact CB-CG 3.75Å |
| 1270 | I | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -98.3 | -30.1 | 173.7 | 55.3 | 173.6 | 0 | 0 | 0 | 112 | L1219 L1222 F1223 A1226 N1267 V1268 R1273 W1274 | L1219-I1270 HydrophobicContact CD1-CB 4.12Å; L1219-I1270 HydrophobicContact CD1-CG2 4.13Å; L1222-I1270 HydrophobicContact CB-CG2 4.02Å; F1223-I1270 HydrophobicContact CD1-CD1 3.78Å; F1223-I1270 HydrophobicContact CD1-CG1 4.44Å; F1223-I1270 HydrophobicContact CD2-CB 4.14Å; F1223-I1270 HydrophobicContact CD2-CD1 4.16Å; F1223-I1270 HydrophobicContact CD2-CG1 4.49Å; F1223-I1270 HydrophobicContact CE1-CD1 3.93Å; F1223-I1270 HydrophobicContact CE1-CG1 4.11Å; F1223-I1270 HydrophobicContact CE2-CB 3.74Å; F1223-I1270 HydrophobicContact CE2-CD1 4.3Å; F1223-I1270 HydrophobicContact CE2-CG1 4.16Å; F1223-I1270 WeakPolarHBondContact CE2-O 3.45Å; F1223-I1270 HydrophobicContact CG-CD1 3.91Å; F1223-I1270 HydrophobicContact CZ-CB 3.99Å; F1223-I1270 HydrophobicContact CZ-CD1 4.2Å; F1223-I1270 HydrophobicContact CZ-CG1 3.97Å; F1223-I1270 WeakPolarHBondContact CZ-O 3.16Å; A1226-I1270 HydrophobicContact CB-CD1 3.77Å; N1267-I1270 HydrophobicContact CB-CD1 4.14Å; N1267-I1270 HydrophobicContact CB-CG1 3.96Å; N1267-I1270 WeakPolarHBondContact O-CG1 3.2Å; N1267-I1270 PolarHBondContact O-N 3.44Å; V1268-I1270 VanDerWaalsContact C-N 3.32Å; V1268-I1270 PolarHBondContact O-N 3.03Å; I1270-R1273 PolarHBondContact O-N 2.98Å; I1270-W1274 PolarHBondContact O-N 3.16Å |
| 1271 | I | 95.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.9 | -48.1 | 176 | -64.9 | 169 | 0 | 0 | 0 | 111.1 | L1184 F1223 L1251 T1264 N1267 V1268 R1273 W1274 I1275 Y1293 | L1184-I1271 HydrophobicContact CD2-CD1 3.93Å; L1184-I1271 HydrophobicContact CD2-CG1 4.4Å; F1223-I1271 HydrophobicContact CE1-CG1 4.47Å; F1223-I1271 HydrophobicContact CZ-CG1 4.41Å; L1251-I1271 HydrophobicContact CD1-CG2 4.43Å; L1251-I1271 HydrophobicContact CD2-CD1 4.23Å; T1264-I1271 HydrophobicContact CG2-CD1 3.9Å; N1267-I1271 HydrophobicContact CB-CD1 4.27Å; N1267-I1271 WeakPolarHBondContact O-CG1 3.45Å; N1267-I1271 PolarHBondContact O-N 3.44Å; V1268-I1271 PolarHBondContact O-N 3.42Å; I1271-R1273 VanDerWaalsContact C-N 3.33Å; I1271-R1273 PolarHBondContact O-N 3.45Å; I1271-W1274 PolarHBondContact O-N 2.7Å; I1271-W1274 VanDerWaalsContact O-N 3.15Å; I1271-I1275 HydrophobicContact CG2-CD1 4.11Å; I1271-I1275 WeakPolarHBondContact O-CG1 3.45Å; I1271-I1275 PolarHBondContact O-N 3.1Å; I1271-Y1293 HydrophobicContact CG2-CE1 3.78Å |
| 1272 | L | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.5 | -68.4 | 178.8 | 0 | 0 | 0 | 111.6 | V1268 W1274 I1275 V1276 L1294 F1298 L1308 F1316 | V1268-L1272 HydrophobicContact CG2-CD1 3.78Å; V1268-L1272 HydrophobicContact CG2-CG 3.8Å; V1268-L1272 WeakPolarHBondContact O-CB 3.47Å; V1268-L1272 WeakPolarHBondContact O-CG 3.22Å; V1268-L1272 PolarHBondContact O-N 2.64Å; L1272-W1274 VanDerWaalsContact C-N 3.33Å; L1272-W1274 PolarHBondContact O-N 2.82Å; L1272-I1275 PolarHBondContact O-N 3.34Å; L1272-V1276 WeakPolarHBondContact O-CG2 3.35Å; L1272-V1276 PolarHBondContact O-N 3.46Å; L1272-L1294 HydrophobicContact CD2-CD2 3.51Å; L1272-F1298 HydrophobicContact CD2-CE1 4.09Å; L1272-F1298 HydrophobicContact CD2-CZ 4Å; L1272-L1308 HydrophobicContact CD1-CD2 3.88Å; L1272-F1316 HydrophobicContact CB-CB 4.09Å; L1272-F1316 HydrophobicContact CB-CD2 3.94Å; L1272-F1316 HydrophobicContact CB-CG 4.12Å; L1272-F1316 HydrophobicContact CD1-CB 4.15Å; L1272-F1316 HydrophobicContact CD1-CD1 4.38Å; L1272-F1316 HydrophobicContact CD1-CG 4.14Å; L1272-F1316 HydrophobicContact CD2-CD1 4.36Å; L1272-F1316 HydrophobicContact CD2-CD2 3.91Å; L1272-F1316 HydrophobicContact CD2-CE1 4.42Å; L1272-F1316 HydrophobicContact CD2-CE2 3.97Å; L1272-F1316 HydrophobicContact CD2-CG 4.12Å; L1272-F1316 HydrophobicContact CD2-CZ 4.24Å; L1272-F1316 HydrophobicContact CG-CD2 4.37Å; L1272-F1316 HydrophobicContact CG-CG 4.36Å |
| 1273 | R | 95.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.7 | -37 | 173.7 | -72.7 | -177.6 | -179.1 | 115.7 | -11.5 | 112.5 | E1198 W1206 L1219 D1269 I1270 I1271 V1276 L1277 | E1198-R1273 IonicContact OE1-CZ 2.86Å; E1198-R1273 IonicContact OE1-NH2 2.7Å; E1198-R1273 PolarHBondContact OE1-NH2 3.4Å; E1198-R1273 IonicContact OE2-CZ 2.69Å; E1198-R1273 IonicContact OE2-NH2 3.35Å; E1198-R1273 PolarHBondContact OE2-NH2 2.99Å; W1206-R1273 HydrophobicContact CD2-CB 4.41Å; W1206-R1273 HydrophobicContact CD2-CG 3.88Å; W1206-R1273 HydrophobicContact CE3-CG 4.41Å; W1206-R1273 HydrophobicContact CG-CG 4.28Å; W1206-R1273 HydrophobicContact CH2-CB 3.94Å; W1206-R1273 HydrophobicContact CH2-CG 4.45Å; W1206-R1273 HydrophobicContact CZ2-CB 3.58Å; W1206-R1273 HydrophobicContact CZ2-CG 3.93Å; W1206-R1273 WeakPolarHBondContact CZ2-O 3.45Å; W1206-R1273 HydrophobicContact CZ3-CB 4.49Å; L1219-R1273 HydrophobicContact CD1-CB 3.69Å; L1219-R1273 HydrophobicContact CD2-CB 4.07Å; D1269-R1273 VanDerWaalsContact O-CD 3.27Å; D1269-R1273 WeakPolarHBondContact O-CD 3.34Å; D1269-R1273 VanDerWaalsContact O-CG 3.23Å; D1269-R1273 WeakPolarHBondContact O-CG 3.27Å; D1269-R1273 PolarHBondContact O-NH1 3.03Å; D1269-R1273 IonicContact OD2-NH1 4Å; D1269-R1273 PolarHBondContact OD2-NH1 2.99Å; I1270-R1273 PolarHBondContact O-N 2.98Å; I1271-R1273 VanDerWaalsContact C-N 3.33Å; I1271-R1273 PolarHBondContact O-N 3.45Å; R1273-V1276 WeakPolarHBondContact O-CB 3.49Å; R1273-V1276 PolarHBondContact O-N 3.47Å; R1273-L1277 PolarHBondContact O-N 3.38Å |
| 1274 | W | 95.7 | Very high | 90 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 174.4 | -175.9 | 86.4 | 0 | 0 | 0 | 111.9 | L1219 F1223 L1236 F1237 H1244 A1247 I1248 I1270 I1271 L1272 V1276 L1277 R1278 | L1219-W1274 HydrophobicContact CD2-CB 3.98Å; F1223-W1274 HydrophobicContact CE2-CB 4.01Å; F1223-W1274 HydrophobicContact CZ-CB 4.05Å; L1236-W1274 HydrophobicContact CD2-CD2 3.75Å; L1236-W1274 VanDerWaalsContact CD2-CE2 3.5Å; L1236-W1274 HydrophobicContact CD2-CE3 4.18Å; L1236-W1274 HydrophobicContact CD2-CG 4.21Å; L1236-W1274 HydrophobicContact CD2-CH2 4.15Å; L1236-W1274 HydrophobicContact CD2-CZ2 3.72Å; L1236-W1274 HydrophobicContact CD2-CZ3 4.37Å; L1236-W1274 WeakPolarHBondContact O-CZ2 3.49Å; L1236-W1274 PolarHBondContact O-NE1 2.86Å; F1237-W1274 AromaticContact CZ-CD1 3.88Å; H1244-W1274 HydrophobicContact CB-CH2 4.15Å; H1244-W1274 HydrophobicContact CB-CZ2 4.2Å; A1247-W1274 HydrophobicContact CB-CH2 4.42Å; I1248-W1274 HydrophobicContact CD1-CH2 4.21Å; I1248-W1274 HydrophobicContact CD1-CZ3 4.23Å; I1248-W1274 HydrophobicContact CG1-CH2 3.89Å; I1248-W1274 HydrophobicContact CG1-CZ3 3.75Å; I1270-W1274 PolarHBondContact O-N 3.16Å; I1271-W1274 PolarHBondContact O-N 2.7Å; I1271-W1274 VanDerWaalsContact O-N 3.15Å; L1272-W1274 VanDerWaalsContact C-N 3.33Å; L1272-W1274 PolarHBondContact O-N 2.82Å; W1274-V1276 VanDerWaalsContact C-N 3.29Å; W1274-V1276 PolarHBondContact O-N 2.92Å; W1274-L1277 WeakPolarHBondContact O-CB 3.49Å; W1274-L1277 PolarHBondContact O-N 3.28Å; W1274-R1278 HydrophobicContact CD2-CG 4.26Å; W1274-R1278 HydrophobicContact CE3-CG 3.95Å; W1274-R1278 HydrophobicContact CH2-CG 3.84Å; W1274-R1278 HydrophobicContact CZ2-CG 4.13Å; W1274-R1278 HydrophobicContact CZ3-CG 3.73Å; W1274-R1278 PolarHBondContact O-N 3.13Å; W1274-R1278 VanDerWaalsContact O-N 3.17Å |
| 1275 | I | 95.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -36.9 | 174.6 | -64.4 | 167.3 | 0 | 0 | 0 | 110.9 | I1271 L1272 L1277 R1278 F1279 C1290 Y1293 L1294 F1316 | I1271-I1275 HydrophobicContact CG2-CD1 4.11Å; I1271-I1275 WeakPolarHBondContact O-CG1 3.45Å; I1271-I1275 PolarHBondContact O-N 3.1Å; L1272-I1275 PolarHBondContact O-N 3.34Å; I1275-L1277 VanDerWaalsContact C-N 3.31Å; I1275-L1277 PolarHBondContact O-N 3.38Å; I1275-R1278 WeakPolarHBondContact O-CA 3.31Å; I1275-R1278 WeakPolarHBondContact O-CB 3.41Å; I1275-R1278 PolarHBondContact O-N 3.38Å; I1275-F1279 HydrophobicContact CG2-CD1 4.17Å; I1275-F1279 HydrophobicContact CG2-CE1 3.51Å; I1275-F1279 HydrophobicContact CG2-CZ 3.82Å; I1275-F1279 WeakPolarHBondContact O-CD1 3.23Å; I1275-F1279 PolarHBondContact O-N 3.41Å; I1275-C1290 HydrophobicContact CG2-CB 4.06Å; I1275-Y1293 HydrophobicContact CD1-CD1 3.84Å; I1275-Y1293 HydrophobicContact CD1-CE1 3.95Å; I1275-L1294 HydrophobicContact CD1-CD2 3.89Å; I1275-L1294 HydrophobicContact CD1-CG 4.09Å; I1275-L1294 HydrophobicContact CG2-CD1 4.02Å; I1275-L1294 HydrophobicContact CG2-CG 4.49Å; I1275-F1316 HydrophobicContact CG2-CE2 4.45Å |
| 1276 | V | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.8 | -38.8 | 170.5 | 168.2 | 0 | 0 | 0 | 0 | 112 | W1206 F1208 L1272 R1273 W1274 R1278 F1279 F1280 F1316 Y1319 | W1206-V1276 HydrophobicContact CZ2-CB 4.46Å; W1206-V1276 HydrophobicContact CZ2-CG1 4.31Å; F1208-V1276 HydrophobicContact CE2-CG1 4.37Å; F1208-V1276 HydrophobicContact CZ-CG1 4.24Å; L1272-V1276 WeakPolarHBondContact O-CG2 3.35Å; L1272-V1276 PolarHBondContact O-N 3.46Å; R1273-V1276 WeakPolarHBondContact O-CB 3.49Å; R1273-V1276 PolarHBondContact O-N 3.47Å; W1274-V1276 VanDerWaalsContact C-N 3.29Å; W1274-V1276 PolarHBondContact O-N 2.92Å; V1276-R1278 VanDerWaalsContact C-N 3.33Å; V1276-R1278 PolarHBondContact O-N 2.92Å; V1276-F1279 WeakPolarHBondContact O-CB 3.41Å; V1276-F1279 PolarHBondContact O-N 3.29Å; V1276-F1280 HydrophobicContact CG1-CE2 4.11Å; V1276-F1280 WeakPolarHBondContact O-CD2 3.27Å; V1276-F1316 HydrophobicContact CG2-CD2 3.94Å; V1276-Y1319 HydrophobicContact CB-CD2 4.49Å; V1276-Y1319 HydrophobicContact CB-CG 4.37Å; V1276-Y1319 HydrophobicContact CG1-CD1 3.58Å; V1276-Y1319 HydrophobicContact CG1-CD2 3.71Å; V1276-Y1319 HydrophobicContact CG1-CE1 3.92Å; V1276-Y1319 HydrophobicContact CG1-CE2 4.07Å; V1276-Y1319 HydrophobicContact CG1-CG 3.44Å; V1276-Y1319 VanDerWaalsContact CG1-CG 3.44Å; V1276-Y1319 HydrophobicContact CG2-CD2 3.9Å; V1276-Y1319 HydrophobicContact CG2-CG 3.96Å |
| 1277 | L | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 172.6 | -60.4 | -179 | 0 | 0 | 0 | 111.5 | W1206 P1211 I1216 L1219 F1237 R1273 W1274 I1275 F1279 F1280 | W1206-L1277 HydrophobicContact CH2-CD2 3.99Å; W1206-L1277 HydrophobicContact CH2-CG 4.3Å; W1206-L1277 HydrophobicContact CZ2-CD2 4.3Å; P1211-L1277 HydrophobicContact CB-CD2 3.53Å; P1211-L1277 HydrophobicContact CG-CD2 3.8Å; I1216-L1277 HydrophobicContact CG1-CD1 4.1Å; I1216-L1277 HydrophobicContact CG1-CD2 4.05Å; I1216-L1277 HydrophobicContact CG2-CD1 4.42Å; L1219-L1277 HydrophobicContact CD2-CD1 3.69Å; L1219-L1277 HydrophobicContact CD2-CG 4.26Å; F1237-L1277 HydrophobicContact CE1-CD1 4.49Å; R1273-L1277 PolarHBondContact O-N 3.38Å; W1274-L1277 WeakPolarHBondContact O-CB 3.49Å; W1274-L1277 PolarHBondContact O-N 3.28Å; I1275-L1277 VanDerWaalsContact C-N 3.31Å; I1275-L1277 PolarHBondContact O-N 3.38Å; L1277-F1279 PolarHBondContact O-N 2.93Å; L1277-F1280 PolarHBondContact O-N 3.35Å; L1277-F1280 VanDerWaalsContact O-N 3.14Å |
| 1278 | R | 91.5 | Very high | 89.2 | Confident | 15 Ų | 15 | 22.4 Ų | 22.4 | 6% | 0.057 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.4 | -27.6 | 177.4 | -54.6 | -53.9 | 77.2 | 159.2 | -12.4 | 112.5 | H1244 W1274 I1275 V1276 F1280 E1281 V1286 | H1244-R1278 PolarHBondContact CD2-NH1 3.38Å; H1244-R1278 PolarHBondContact CE1-NH1 3.46Å; H1244-R1278 PolarHBondContact ND1-NH1 3.32Å; H1244-R1278 PolarHBondContact NE2-NH1 3.08Å; W1274-R1278 HydrophobicContact CD2-CG 4.26Å; W1274-R1278 HydrophobicContact CE3-CG 3.95Å; W1274-R1278 HydrophobicContact CH2-CG 3.84Å; W1274-R1278 HydrophobicContact CZ2-CG 4.13Å; W1274-R1278 HydrophobicContact CZ3-CG 3.73Å; W1274-R1278 PolarHBondContact O-N 3.13Å; W1274-R1278 VanDerWaalsContact O-N 3.17Å; I1275-R1278 WeakPolarHBondContact O-CA 3.31Å; I1275-R1278 WeakPolarHBondContact O-CB 3.41Å; I1275-R1278 PolarHBondContact O-N 3.38Å; V1276-R1278 VanDerWaalsContact C-N 3.33Å; V1276-R1278 PolarHBondContact O-N 2.92Å; R1278-F1280 PolarHBondContact O-N 3.07Å; R1278-E1281 VanDerWaalsContact CZ-CD 3.4Å; R1278-E1281 IonicContact CZ-OE1 2.68Å; R1278-E1281 IonicContact CZ-OE2 2.63Å; R1278-E1281 IonicContact NE-OE1 3.03Å; R1278-E1281 IonicContact NE-OE2 2.65Å; R1278-E1281 PolarHBondContact NE-OE2 2.77Å; R1278-E1281 IonicContact NH1-OE1 2.68Å; R1278-E1281 IonicContact NH1-OE2 2.68Å; R1278-E1281 VanDerWaalsContact NH2-CD 3.3Å; R1278-E1281 IonicContact NH2-OE1 2.87Å; R1278-E1281 PolarHBondContact NH2-OE1 3.15Å; R1278-E1281 IonicContact NH2-OE2 3.19Å; R1278-E1281 PolarHBondContact O-N 3Å; R1278-V1286 HydrophobicContact CB-CG1 4.1Å; R1278-V1286 HydrophobicContact CG-CG1 4.18Å |
| 1279 | F | 89.2 | Confident | 89.1 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -27.9 | 173.3 | -68.9 | -5.5 | 0 | 0 | 0 | 112.8 | I1275 V1276 L1277 L1287 M1291 L1294 F1316 L1320 K1323 | I1275-F1279 HydrophobicContact CG2-CD1 4.17Å; I1275-F1279 HydrophobicContact CG2-CE1 3.51Å; I1275-F1279 HydrophobicContact CG2-CZ 3.82Å; I1275-F1279 WeakPolarHBondContact O-CD1 3.23Å; I1275-F1279 PolarHBondContact O-N 3.41Å; V1276-F1279 WeakPolarHBondContact O-CB 3.41Å; V1276-F1279 PolarHBondContact O-N 3.29Å; L1277-F1279 PolarHBondContact O-N 2.93Å; F1279-L1287 HydrophobicContact CD1-CD2 3.88Å; F1279-M1291 HydrophobicContact CD1-CE 4.38Å; F1279-M1291 HydrophobicContact CE1-CE 3.56Å; F1279-M1291 HydrophobicContact CE1-SD 4.46Å; F1279-M1291 HydrophobicContact CZ-CE 3.88Å; F1279-L1294 HydrophobicContact CZ-CD1 4.26Å; F1279-F1316 HydrophobicContact CE2-CE2 4.01Å; F1279-F1316 AromaticContact CZ-CE2 3.92Å; F1279-F1316 HydrophobicContact CZ-CE2 3.92Å; F1279-F1316 HydrophobicContact CZ-CZ 4.39Å; F1279-L1320 HydrophobicContact CE2-CB 4.35Å; F1279-L1320 HydrophobicContact CE2-CD1 4.25Å; F1279-L1320 HydrophobicContact CZ-CD1 4.08Å; F1279-K1323 HydrophobicContact CB-CG 4.29Å; F1279-K1323 HydrophobicContact CD2-CG 4.14Å; F1279-K1323 HydrophobicContact CG-CG 4.19Å; F1279-K1323 WeakPolarHBondContact O-CE 3.36Å; F1279-K1323 PolarHBondContact O-NZ 2.97Å |
| 1280 | F | 86.4 | Confident | 89.1 | Confident | 53 Ų | 53 | 26.5 Ų | 26.5 | 23% | 0.232 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -83.4 | -17.9 | 178.7 | -67.9 | -84.5 | 0 | 0 | 0 | 114.3 | F1208 D1209 P1211 V1276 L1277 R1278 T1282 Y1319 | F1208-F1280 HydrophobicContact CD2-CE2 4.48Å; F1208-F1280 HydrophobicContact CD2-CZ 4.43Å; F1208-F1280 AromaticContact CE2-CE2 3.85Å; F1208-F1280 HydrophobicContact CE2-CE2 3.85Å; F1208-F1280 HydrophobicContact CE2-CZ 4.23Å; D1209-F1280 VanDerWaalsContact O-CE1 3.23Å; D1209-F1280 WeakPolarHBondContact O-CE1 3.34Å; P1211-F1280 HydrophobicContact CG-CB 4.46Å; P1211-F1280 HydrophobicContact CG-CD2 3.91Å; P1211-F1280 HydrophobicContact CG-CE2 4.45Å; P1211-F1280 HydrophobicContact CG-CG 4.17Å; V1276-F1280 HydrophobicContact CG1-CE2 4.11Å; V1276-F1280 WeakPolarHBondContact O-CD2 3.27Å; L1277-F1280 PolarHBondContact O-N 3.35Å; L1277-F1280 VanDerWaalsContact O-N 3.14Å; R1278-F1280 PolarHBondContact O-N 3.07Å; F1280-T1282 VanDerWaalsContact C-N 3.31Å; F1280-T1282 PolarHBondContact O-N 3.2Å; F1280-Y1319 AromaticContact CE2-CD1 3.9Å; F1280-Y1319 HydrophobicContact CE2-CD1 3.9Å; F1280-Y1319 HydrophobicContact CE2-CE1 4.14Å; F1280-Y1319 AromaticContact CZ-CD1 3.87Å; F1280-Y1319 HydrophobicContact CZ-CD1 3.87Å; F1280-Y1319 HydrophobicContact CZ-CE1 4.03Å |
| 1281 | E | 75.3 | Confident | 88.9 | Confident | 77 Ų | 77 | 26.6 Ų | 26.6 | 36% | 0.36 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -80.8 | -2.6 | -171.6 | -62.2 | -172.3 | 154.6 | 0 | 0 | 115 | H1244 R1278 N1283 | H1244-E1281 IonicContact CE1-OE2 2.77Å; H1244-E1281 IonicContact ND1-OE2 3.23Å; R1278-E1281 VanDerWaalsContact CZ-CD 3.4Å; R1278-E1281 IonicContact CZ-OE1 2.68Å; R1278-E1281 IonicContact CZ-OE2 2.63Å; R1278-E1281 IonicContact NE-OE1 3.03Å; R1278-E1281 IonicContact NE-OE2 2.65Å; R1278-E1281 PolarHBondContact NE-OE2 2.77Å; R1278-E1281 IonicContact NH1-OE1 2.68Å; R1278-E1281 IonicContact NH1-OE2 2.68Å; R1278-E1281 VanDerWaalsContact NH2-CD 3.3Å; R1278-E1281 IonicContact NH2-OE1 2.87Å; R1278-E1281 PolarHBondContact NH2-OE1 3.15Å; R1278-E1281 IonicContact NH2-OE2 3.19Å; R1278-E1281 PolarHBondContact O-N 3Å; E1281-N1283 PolarHBondContact O-N 3.16Å |
| 1282 | T | 66.8 | Low | 88.8 | Confident | 110 Ų | 110 | 30.4 Ų | 30.4 | 68% | 0.675 | 16% | 0.164 | S | C | * | . | trans | 59.6 | -9.4 | 176.8 | 70.4 | 0 | 0 | 0 | 0 | 117.9 | F1280 P1284 | F1280-T1282 VanDerWaalsContact C-N 3.31Å; F1280-T1282 PolarHBondContact O-N 3.2Å; T1282-P1284 WeakPolarHBondContact O-CD 3.23Å | ||
| 1283 | N | 82.3 | Confident | 88.8 | Confident | 34 Ų | 34 | 30.5 Ų | 30.5 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | trans | -67.2 | 114.4 | -178.2 | -174.9 | -39.2 | 0 | 0 | 0 | 111.5 | F1241 E1281 V1285 V1286 L1287 | F1241-N1283 WeakPolarHBondContact CD2-ND2 3.32Å; F1241-N1283 WeakPolarHBondContact CG-ND2 3.36Å; E1281-N1283 PolarHBondContact O-N 3.16Å; N1283-V1285 VanDerWaalsContact C-N 3.29Å; N1283-V1285 PolarHBondContact O-N 3.23Å; N1283-V1285 PolarHBondContact OD1-N 3.41Å; N1283-V1286 HydrophobicContact CB-CB 4.22Å; N1283-V1286 HydrophobicContact CB-CG2 3.97Å; N1283-V1286 PolarHBondContact O-N 2.95Å; N1283-V1286 PolarHBondContact OD1-N 3.5Å; N1283-L1287 VanDerWaalsContact O-CG 3.3Å; N1283-L1287 WeakPolarHBondContact O-CG 3.25Å; N1283-L1287 PolarHBondContact O-N 3.14Å | ||
| 1284 | P | 81.4 | Confident | 88.8 | Confident | 53 Ų | 53 | 30.2 Ų | 30.2 | 34% | 0.344 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.5 | -21.8 | -172.4 | 30.3 | -37.1 | 0 | 0 | 0 | 113.8 | T1282 G1288 K1328 | T1282-P1284 WeakPolarHBondContact O-CD 3.23Å; P1284-G1288 PolarHBondContact O-N 2.74Å; P1284-K1328 VanDerWaalsContact CB-NZ 3.33Å |
| 1285 | V | 85.6 | Confident | 88.8 | Confident | 83 Ų | 83 | 32.6 Ų | 32.6 | 50% | 0.503 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -77 | -43.2 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | I1245 N1283 G1288 R1289 | I1245-V1285 HydrophobicContact CD1-CB 4.49Å; I1245-V1285 HydrophobicContact CD1-CG1 3.84Å; N1283-V1285 VanDerWaalsContact C-N 3.29Å; N1283-V1285 PolarHBondContact O-N 3.23Å; N1283-V1285 PolarHBondContact OD1-N 3.41Å; V1285-G1288 PolarHBondContact O-N 3.37Å; V1285-R1289 PolarHBondContact O-N 3.3Å; V1285-R1289 VanDerWaalsContact O-N 3.08Å |
| 1286 | V | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 173 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | F1241 I1245 I1248 R1278 N1283 G1288 R1289 C1290 | F1241-V1286 HydrophobicContact CB-CG2 3.83Å; F1241-V1286 HydrophobicContact CD2-CG2 4.36Å; I1245-V1286 HydrophobicContact CD1-CG2 4.44Å; I1245-V1286 HydrophobicContact CG1-CG2 4.15Å; I1248-V1286 HydrophobicContact CD1-CG1 4.07Å; R1278-V1286 HydrophobicContact CB-CG1 4.1Å; R1278-V1286 HydrophobicContact CG-CG1 4.18Å; N1283-V1286 HydrophobicContact CB-CB 4.22Å; N1283-V1286 HydrophobicContact CB-CG2 3.97Å; N1283-V1286 PolarHBondContact O-N 2.95Å; N1283-V1286 PolarHBondContact OD1-N 3.5Å; V1286-G1288 PolarHBondContact O-N 3.04Å; V1286-R1289 PolarHBondContact O-N 2.98Å; V1286-C1290 WeakPolarHBondContact O-CB 3.45Å; V1286-C1290 PolarHBondContact O-N 2.81Å; V1286-C1290 PolarHBondContact O-SG 2.99Å |
| 1287 | L | 88.2 | Confident | 88.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.5 | -69.5 | 172.6 | 0 | 0 | 0 | 111.8 | F1279 N1283 C1290 M1291 | F1279-L1287 HydrophobicContact CD1-CD2 3.88Å; N1283-L1287 VanDerWaalsContact O-CG 3.3Å; N1283-L1287 WeakPolarHBondContact O-CG 3.25Å; N1283-L1287 PolarHBondContact O-N 3.14Å; L1287-C1290 WeakPolarHBondContact O-CB 3.39Å; L1287-C1290 PolarHBondContact O-N 3.44Å; L1287-M1291 WeakPolarHBondContact O-CG 3.43Å; L1287-M1291 PolarHBondContact O-N 2.86Å |
| 1288 | G | 87.5 | Confident | 89 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.6 | -58.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1284 V1285 V1286 C1290 M1291 D1292 | P1284-G1288 PolarHBondContact O-N 2.74Å; V1285-G1288 PolarHBondContact O-N 3.37Å; V1286-G1288 PolarHBondContact O-N 3.04Å; G1288-C1290 VanDerWaalsContact C-N 3.26Å; G1288-C1290 PolarHBondContact O-N 3.28Å; G1288-M1291 WeakPolarHBondContact O-CA 3.48Å; G1288-M1291 PolarHBondContact O-N 2.9Å; G1288-D1292 PolarHBondContact O-N 2.96Å |
| 1289 | R | 92.1 | Very high | 89.1 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -32.6 | 179.3 | -64.3 | -58.6 | -154.4 | 76.3 | 5.1 | 113.4 | I1248 E1249 V1285 V1286 D1292 Y1293 | I1248-R1289 HydrophobicContact CD1-CB 4.25Å; I1248-R1289 HydrophobicContact CG2-CB 3.96Å; I1248-R1289 WeakPolarHBondContact CG2-O 3.27Å; E1249-R1289 IonicContact OE1-CZ 3.39Å; E1249-R1289 VanDerWaalsContact OE1-CZ 3.24Å; E1249-R1289 IonicContact OE1-NH1 2.75Å; E1249-R1289 PolarHBondContact OE1-NH1 3.38Å; E1249-R1289 IonicContact OE1-NH2 2.68Å; E1249-R1289 PolarHBondContact OE1-NH2 2.92Å; V1285-R1289 PolarHBondContact O-N 3.3Å; V1285-R1289 VanDerWaalsContact O-N 3.08Å; V1286-R1289 PolarHBondContact O-N 2.98Å; R1289-D1292 WeakPolarHBondContact CA-OD2 2.97Å; R1289-Y1293 WeakPolarHBondContact O-CB 3.32Å; R1289-Y1293 PolarHBondContact O-N 2.93Å |
| 1290 | C | 93.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 171.7 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | I1248 I1275 V1286 L1287 G1288 L1294 | I1248-C1290 VanDerWaalsContact CD1-SG 3.53Å; I1275-C1290 HydrophobicContact CG2-CB 4.06Å; V1286-C1290 WeakPolarHBondContact O-CB 3.45Å; V1286-C1290 PolarHBondContact O-N 2.81Å; V1286-C1290 PolarHBondContact O-SG 2.99Å; L1287-C1290 WeakPolarHBondContact O-CB 3.39Å; L1287-C1290 PolarHBondContact O-N 3.44Å; G1288-C1290 VanDerWaalsContact C-N 3.26Å; G1288-C1290 PolarHBondContact O-N 3.28Å; C1290-L1294 WeakPolarHBondContact O-CB 3.32Å; C1290-L1294 VanDerWaalsContact O-CG 3.23Å; C1290-L1294 WeakPolarHBondContact O-CG 3.28Å; C1290-L1294 PolarHBondContact O-N 3.21Å |
| 1291 | M | 91.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.1 | -37.2 | 177.4 | -60.2 | -56 | 171.2 | 0 | 0 | 111.9 | F1279 L1287 G1288 L1294 T1295 L1320 N1334 I1335 I1338 | F1279-M1291 HydrophobicContact CD1-CE 4.38Å; F1279-M1291 HydrophobicContact CE1-CE 3.56Å; F1279-M1291 HydrophobicContact CE1-SD 4.46Å; F1279-M1291 HydrophobicContact CZ-CE 3.88Å; L1287-M1291 WeakPolarHBondContact O-CG 3.43Å; L1287-M1291 PolarHBondContact O-N 2.86Å; G1288-M1291 WeakPolarHBondContact O-CA 3.48Å; G1288-M1291 PolarHBondContact O-N 2.9Å; M1291-L1294 PolarHBondContact O-N 2.86Å; M1291-L1294 HydrophobicContact SD-CD1 3.95Å; M1291-T1295 WeakPolarHBondContact O-CB 3.33Å; M1291-T1295 PolarHBondContact O-N 3.03Å; M1291-T1295 PolarHBondContact O-OG1 3.27Å; M1291-L1320 HydrophobicContact CE-CD1 4.43Å; M1291-N1334 HydrophobicContact CB-CB 3.99Å; M1291-N1334 HydrophobicContact CG-CB 4.36Å; M1291-I1335 HydrophobicContact CE-CD1 3.85Å; M1291-I1335 HydrophobicContact CE-CG1 3.67Å; M1291-I1335 HydrophobicContact SD-CG1 3.93Å; M1291-I1338 HydrophobicContact CB-CD1 3.86Å; M1291-I1338 HydrophobicContact CG-CD1 4.16Å; M1291-I1338 HydrophobicContact SD-CD1 3.42Å; M1291-I1338 WeakPolarHBondContact SD-CD1 3.35Å |
| 1292 | D | 93.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 37 Ų | 37 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.1 | -53 | -29.5 | 0 | 0 | 0 | 110.3 | G1288 R1289 T1295 K1296 | G1288-D1292 PolarHBondContact O-N 2.96Å; R1289-D1292 WeakPolarHBondContact CA-OD2 2.97Å; D1292-T1295 WeakPolarHBondContact O-CB 3.23Å; D1292-T1295 PolarHBondContact O-N 2.73Å; D1292-K1296 PolarHBondContact O-N 2.74Å; D1292-K1296 VanDerWaalsContact O-N 3.09Å |
| 1293 | Y | 96 | Very high | 91.3 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.5 | 173.4 | -101.5 | 0 | 0 | 0 | 113 | L1251 L1255 T1264 I1271 I1275 R1289 T1295 K1296 L1297 | L1251-Y1293 HydrophobicContact CB-CD2 4.08Å; L1251-Y1293 HydrophobicContact CB-CE2 3.58Å; L1251-Y1293 HydrophobicContact CD1-CE1 4.39Å; L1251-Y1293 WeakPolarHBondContact O-CE2 3.43Å; L1255-Y1293 HydrophobicContact CD1-CD2 4.03Å; L1255-Y1293 HydrophobicContact CD1-CE2 3.44Å; L1255-Y1293 VanDerWaalsContact CD1-CE2 3.44Å; L1255-Y1293 HydrophobicContact CG-CE2 4.13Å; T1264-Y1293 VanDerWaalsContact CG2-OH 3.24Å; T1264-Y1293 WeakPolarHBondContact CG2-OH 3.33Å; I1271-Y1293 HydrophobicContact CG2-CE1 3.78Å; I1275-Y1293 HydrophobicContact CD1-CD1 3.84Å; I1275-Y1293 HydrophobicContact CD1-CE1 3.95Å; R1289-Y1293 WeakPolarHBondContact O-CB 3.32Å; R1289-Y1293 PolarHBondContact O-N 2.93Å; Y1293-T1295 PolarHBondContact O-N 3.03Å; Y1293-K1296 PolarHBondContact O-N 3.04Å; Y1293-L1297 HydrophobicContact CE1-CD2 4.02Å; Y1293-L1297 WeakPolarHBondContact O-CB 3.44Å; Y1293-L1297 PolarHBondContact O-N 2.91Å |
| 1294 | L | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.2 | -38.1 | 174.6 | -79.8 | 168.9 | 0 | 0 | 0 | 111.9 | L1272 I1275 F1279 C1290 M1291 L1297 F1298 F1316 I1338 | L1272-L1294 HydrophobicContact CD2-CD2 3.51Å; I1275-L1294 HydrophobicContact CD1-CD2 3.89Å; I1275-L1294 HydrophobicContact CD1-CG 4.09Å; I1275-L1294 HydrophobicContact CG2-CD1 4.02Å; I1275-L1294 HydrophobicContact CG2-CG 4.49Å; F1279-L1294 HydrophobicContact CZ-CD1 4.26Å; C1290-L1294 WeakPolarHBondContact O-CB 3.32Å; C1290-L1294 VanDerWaalsContact O-CG 3.23Å; C1290-L1294 WeakPolarHBondContact O-CG 3.28Å; C1290-L1294 PolarHBondContact O-N 3.21Å; M1291-L1294 PolarHBondContact O-N 2.86Å; M1291-L1294 HydrophobicContact SD-CD1 3.95Å; L1294-L1297 PolarHBondContact O-N 2.87Å; L1294-F1298 HydrophobicContact CD2-CE1 4.37Å; L1294-F1298 HydrophobicContact CD2-CE2 4.38Å; L1294-F1298 HydrophobicContact CD2-CZ 4.02Å; L1294-F1298 VanDerWaalsContact O-CB 3.3Å; L1294-F1298 WeakPolarHBondContact O-CB 3.48Å; L1294-F1298 WeakPolarHBondContact O-CG 3.27Å; L1294-F1298 PolarHBondContact O-N 2.81Å; L1294-F1316 HydrophobicContact CD1-CE2 4.09Å; L1294-F1316 HydrophobicContact CD1-CZ 3.76Å; L1294-F1316 HydrophobicContact CD2-CE2 4.03Å; L1294-F1316 HydrophobicContact CD2-CZ 3.72Å; L1294-F1316 HydrophobicContact CG-CZ 4.41Å; L1294-I1338 HydrophobicContact CB-CD1 3.87Å; L1294-I1338 HydrophobicContact CB-CG1 4.39Å; L1294-I1338 HydrophobicContact CD1-CD1 4.12Å |
| 1295 | T | 95.7 | Very high | 91.6 | Very high | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | M1291 D1292 Y1293 L1297 F1298 V1299 L1341 | M1291-T1295 WeakPolarHBondContact O-CB 3.33Å; M1291-T1295 PolarHBondContact O-N 3.03Å; M1291-T1295 PolarHBondContact O-OG1 3.27Å; D1292-T1295 WeakPolarHBondContact O-CB 3.23Å; D1292-T1295 PolarHBondContact O-N 2.73Å; Y1293-T1295 PolarHBondContact O-N 3.03Å; T1295-L1297 VanDerWaalsContact C-N 3.35Å; T1295-L1297 PolarHBondContact O-N 2.84Å; T1295-F1298 PolarHBondContact O-N 2.77Å; T1295-V1299 WeakPolarHBondContact O-CG2 3.41Å; T1295-V1299 PolarHBondContact O-N 3.39Å; T1295-L1341 HydrophobicContact CG2-CD1 4.07Å |
| 1296 | K | 94.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 175.1 | -170.7 | -179.3 | -177.1 | 179.4 | 0 | 111.9 | S1252 L1255 D1256 D1292 Y1293 Y1300 | S1252-K1296 PolarHBondContact O-NZ 3.25Å; L1255-K1296 HydrophobicContact CB-CD 4.05Å; L1255-K1296 HydrophobicContact CD1-CB 4.32Å; L1255-K1296 HydrophobicContact CD1-CD 4.13Å; L1255-K1296 HydrophobicContact CD1-CG 4.04Å; D1256-K1296 IonicContact OD1-NZ 2.77Å; D1256-K1296 PolarHBondContact OD1-NZ 3.46Å; D1256-K1296 IonicContact OD2-NZ 3.38Å; D1256-K1296 PolarHBondContact OD2-NZ 3.37Å; D1292-K1296 PolarHBondContact O-N 2.74Å; D1292-K1296 VanDerWaalsContact O-N 3.09Å; Y1293-K1296 PolarHBondContact O-N 3.04Å; K1296-Y1300 PolarHBondContact O-N 3.22Å; K1296-Y1300 VanDerWaalsContact O-N 3.16Å |
| 1297 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 179 | 177.3 | 58 | 0 | 0 | 0 | 112.5 | L1255 T1264 V1268 Y1293 L1294 T1295 Y1300 M1301 | L1255-L1297 HydrophobicContact CD1-CB 3.99Å; L1255-L1297 HydrophobicContact CD1-CD1 4.38Å; L1255-L1297 HydrophobicContact CD2-CD1 4.17Å; T1264-L1297 HydrophobicContact CG2-CD1 3.62Å; V1268-L1297 HydrophobicContact CG2-CD2 4.21Å; Y1293-L1297 HydrophobicContact CE1-CD2 4.02Å; Y1293-L1297 WeakPolarHBondContact O-CB 3.44Å; Y1293-L1297 PolarHBondContact O-N 2.91Å; L1294-L1297 PolarHBondContact O-N 2.87Å; T1295-L1297 VanDerWaalsContact C-N 3.35Å; T1295-L1297 PolarHBondContact O-N 2.84Å; L1297-Y1300 PolarHBondContact O-N 3.42Å; L1297-M1301 HydrophobicContact CD1-CG 4.17Å; L1297-M1301 HydrophobicContact CD1-SD 3.99Å; L1297-M1301 HydrophobicContact CG-SD 4.11Å; L1297-M1301 WeakPolarHBondContact O-CB 3.26Å; L1297-M1301 WeakPolarHBondContact O-CG 3.47Å; L1297-M1301 PolarHBondContact O-N 2.97Å |
| 1298 | F | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77 | -27.3 | -175.7 | -73 | -3.7 | 0 | 0 | 0 | 113.5 | L1272 L1294 T1295 M1301 S1302 L1308 F1316 I1338 L1341 V1342 L1345 | L1272-F1298 HydrophobicContact CD2-CE1 4.09Å; L1272-F1298 HydrophobicContact CD2-CZ 4Å; L1294-F1298 HydrophobicContact CD2-CE1 4.37Å; L1294-F1298 HydrophobicContact CD2-CE2 4.38Å; L1294-F1298 HydrophobicContact CD2-CZ 4.02Å; L1294-F1298 VanDerWaalsContact O-CB 3.3Å; L1294-F1298 WeakPolarHBondContact O-CB 3.48Å; L1294-F1298 WeakPolarHBondContact O-CG 3.27Å; L1294-F1298 PolarHBondContact O-N 2.81Å; T1295-F1298 PolarHBondContact O-N 2.77Å; F1298-M1301 HydrophobicContact CD1-SD 4.26Å; F1298-S1302 VanDerWaalsContact O-CB 3.31Å; F1298-S1302 WeakPolarHBondContact O-CB 3.2Å; F1298-S1302 PolarHBondContact O-N 3.33Å; F1298-L1308 HydrophobicContact CE1-CD1 4.43Å; F1298-L1308 HydrophobicContact CZ-CD1 4.26Å; F1298-F1316 AromaticContact CE2-CE1 3.88Å; F1298-F1316 HydrophobicContact CE2-CE1 3.88Å; F1298-F1316 HydrophobicContact CE2-CZ 4.45Å; F1298-F1316 HydrophobicContact CZ-CD1 4.29Å; F1298-F1316 AromaticContact CZ-CE1 3.74Å; F1298-F1316 HydrophobicContact CZ-CE1 3.74Å; F1298-F1316 HydrophobicContact CZ-CZ 4.31Å; F1298-I1338 HydrophobicContact CD2-CG2 3.89Å; F1298-I1338 HydrophobicContact CE2-CG2 3.79Å; F1298-L1341 HydrophobicContact CB-CB 4.07Å; F1298-L1341 HydrophobicContact CB-CD1 4.13Å; F1298-V1342 HydrophobicContact CD2-CG2 3.87Å; F1298-V1342 HydrophobicContact CE2-CG2 3.53Å; F1298-V1342 HydrophobicContact CZ-CG2 4.47Å; F1298-L1345 HydrophobicContact CB-CD1 3.65Å; F1298-L1345 HydrophobicContact CD1-CD1 3.61Å; F1298-L1345 HydrophobicContact CD2-CD1 4.12Å; F1298-L1345 HydrophobicContact CE1-CD1 4.27Å; F1298-L1345 HydrophobicContact CG-CD1 3.53Å |
| 1299 | V | 94.6 | Very high | 92 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -54.7 | 165.8 | 169.7 | 0 | 0 | 0 | 0 | 109.8 | T1295 M1301 S1302 E1303 L1341 | T1295-V1299 WeakPolarHBondContact O-CG2 3.41Å; T1295-V1299 PolarHBondContact O-N 3.39Å; V1299-M1301 VanDerWaalsContact C-N 3.33Å; V1299-M1301 PolarHBondContact O-N 3.39Å; V1299-S1302 WeakPolarHBondContact O-CA 3.32Å; V1299-S1302 WeakPolarHBondContact O-CB 3.41Å; V1299-S1302 PolarHBondContact O-N 3.01Å; V1299-E1303 HydrophobicContact CG1-CG 4.43Å; V1299-E1303 VanDerWaalsContact CG1-OE1 3.32Å; V1299-E1303 WeakPolarHBondContact CG1-OE1 3.44Å; V1299-E1303 WeakPolarHBondContact O-CG 3.3Å; V1299-E1303 PolarHBondContact O-N 2.97Å; V1299-L1341 HydrophobicContact CG2-CD1 3.96Å; V1299-L1341 HydrophobicContact CG2-CD2 4.01Å |
| 1300 | Y | 90.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.5 | -41 | 178.8 | 176.8 | -100.4 | 0 | 0 | 0 | 113.2 | C1261 V1265 K1296 L1297 S1302 E1303 S1304 | C1261-Y1300 HydrophobicContact CB-CD1 4.41Å; C1261-Y1300 HydrophobicContact CB-CE1 3.67Å; C1261-Y1300 HydrophobicContact CB-CE2 4.2Å; V1265-Y1300 HydrophobicContact CG2-CD1 4.25Å; V1265-Y1300 HydrophobicContact CG2-CE1 3.93Å; K1296-Y1300 PolarHBondContact O-N 3.22Å; K1296-Y1300 VanDerWaalsContact O-N 3.16Å; L1297-Y1300 PolarHBondContact O-N 3.42Å; Y1300-S1302 VanDerWaalsContact C-N 3.31Å; Y1300-S1302 PolarHBondContact O-N 2.83Å; Y1300-E1303 PolarHBondContact O-N 3.04Å; Y1300-S1304 WeakPolarHBondContact O-CB 3.4Å; Y1300-S1304 PolarHBondContact O-N 3.34Å; Y1300-S1304 PolarHBondContact O-OG 3.06Å |
| 1301 | M | 93.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 174.7 | -74.8 | -176.9 | 65.5 | 0 | 0 | 112.4 | V1265 V1268 L1297 F1298 V1299 S1304 G1305 A1306 L1308 L1345 | V1265-M1301 HydrophobicContact CG2-CG 4.12Å; V1268-M1301 HydrophobicContact CG2-SD 4.12Å; L1297-M1301 HydrophobicContact CD1-CG 4.17Å; L1297-M1301 HydrophobicContact CD1-SD 3.99Å; L1297-M1301 HydrophobicContact CG-SD 4.11Å; L1297-M1301 WeakPolarHBondContact O-CB 3.26Å; L1297-M1301 WeakPolarHBondContact O-CG 3.47Å; L1297-M1301 PolarHBondContact O-N 2.97Å; F1298-M1301 HydrophobicContact CD1-SD 4.26Å; V1299-M1301 VanDerWaalsContact C-N 3.33Å; V1299-M1301 PolarHBondContact O-N 3.39Å; M1301-S1304 WeakPolarHBondContact CA-OG 3.48Å; M1301-S1304 PolarHBondContact O-OG 3.42Å; M1301-G1305 PolarHBondContact O-N 3.45Å; M1301-A1306 HydrophobicContact CB-CB 4.28Å; M1301-A1306 HydrophobicContact CE-CB 4.32Å; M1301-A1306 WeakPolarHBondContact CE-O 3.35Å; M1301-A1306 HydrophobicContact CG-CB 4.31Å; M1301-A1306 PolarHBondContact O-N 3.5Å; M1301-L1308 HydrophobicContact CE-CD2 3.81Å; M1301-L1308 HydrophobicContact CE-CG 4.2Å; M1301-L1345 HydrophobicContact CB-CD1 4.13Å; M1301-L1345 HydrophobicContact CB-CD2 3.81Å |
| 1302 | S | 90.3 | Very high | 91.4 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.1 | -37.2 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | F1298 V1299 Y1300 N1344 | F1298-S1302 VanDerWaalsContact O-CB 3.31Å; F1298-S1302 WeakPolarHBondContact O-CB 3.2Å; F1298-S1302 PolarHBondContact O-N 3.33Å; V1299-S1302 WeakPolarHBondContact O-CA 3.32Å; V1299-S1302 WeakPolarHBondContact O-CB 3.41Å; V1299-S1302 PolarHBondContact O-N 3.01Å; Y1300-S1302 VanDerWaalsContact C-N 3.31Å; Y1300-S1302 PolarHBondContact O-N 2.83Å; S1302-N1344 WeakPolarHBondContact OG-CB 3.38Å; S1302-N1344 PolarHBondContact OG-ND2 3.34Å; S1302-N1344 VanDerWaalsContact OG-ND2 3.16Å |
| 1303 | E | 89.9 | Confident | 91.3 | Very high | 148 Ų | 148 | 43 Ų | 43 | 69% | 0.692 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72.9 | -37.2 | 177.7 | -69.2 | 169 | 169.6 | 0 | 0 | 112.2 | V1299 Y1300 G1305 | V1299-E1303 HydrophobicContact CG1-CG 4.43Å; V1299-E1303 VanDerWaalsContact CG1-OE1 3.32Å; V1299-E1303 WeakPolarHBondContact CG1-OE1 3.44Å; V1299-E1303 WeakPolarHBondContact O-CG 3.3Å; V1299-E1303 PolarHBondContact O-N 2.97Å; Y1300-E1303 PolarHBondContact O-N 3.04Å; E1303-G1305 VanDerWaalsContact C-N 3.29Å; E1303-G1305 PolarHBondContact O-N 3.47Å |
| 1304 | S | 85.4 | Confident | 91 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.2 | 175.5 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | Y1300 M1301 A1306 | Y1300-S1304 WeakPolarHBondContact O-CB 3.4Å; Y1300-S1304 PolarHBondContact O-N 3.34Å; Y1300-S1304 PolarHBondContact O-OG 3.06Å; M1301-S1304 WeakPolarHBondContact CA-OG 3.48Å; M1301-S1304 PolarHBondContact O-OG 3.42Å; S1304-A1306 PolarHBondContact O-N 3.44Å |
| 1305 | G | 83.9 | Confident | 90.8 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 54% | 0.536 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 18.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1301 E1303 N1307 | M1301-G1305 PolarHBondContact O-N 3.45Å; E1303-G1305 VanDerWaalsContact C-N 3.29Å; E1303-G1305 PolarHBondContact O-N 3.47Å; G1305-N1307 PolarHBondContact O-N 3.18Å; G1305-N1307 PolarHBondContact O-ND2 2.81Å |
| 1306 | A | 86.6 | Confident | 90.8 | Very high | 23 Ų | 23 | 42 Ų | 42 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | trans | -83.4 | 95.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1265 M1301 S1304 | V1265-A1306 HydrophobicContact CG1-CB 4.17Å; M1301-A1306 HydrophobicContact CB-CB 4.28Å; M1301-A1306 HydrophobicContact CE-CB 4.32Å; M1301-A1306 WeakPolarHBondContact CE-O 3.35Å; M1301-A1306 HydrophobicContact CG-CB 4.31Å; M1301-A1306 PolarHBondContact O-N 3.5Å; S1304-A1306 PolarHBondContact O-N 3.44Å | ||
| 1307 | N | 90.8 | Very high | 90.8 | Very high | 111 Ų | 111 | 38.5 Ų | 38.5 | 59% | 0.594 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -72.5 | 147.9 | 177.5 | -67.1 | -77.1 | 0 | 0 | 0 | 112.8 | G1305 L1345 | G1305-N1307 PolarHBondContact O-N 3.18Å; G1305-N1307 PolarHBondContact O-ND2 2.81Å; N1307-L1345 WeakPolarHBondContact CA-O 3.49Å |
| 1308 | L | 93.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 130.8 | 169 | -69.1 | 168.2 | 0 | 0 | 0 | 109.9 | L1272 F1298 M1301 E1312 L1345 Y1346 | L1272-L1308 HydrophobicContact CD1-CD2 3.88Å; F1298-L1308 HydrophobicContact CE1-CD1 4.43Å; F1298-L1308 HydrophobicContact CZ-CD1 4.26Å; M1301-L1308 HydrophobicContact CE-CD2 3.81Å; M1301-L1308 HydrophobicContact CE-CG 4.2Å; L1308-E1312 HydrophobicContact CD2-CB 4.1Å; L1308-L1345 HydrophobicContact CD1-CB 4.12Å; L1308-L1345 HydrophobicContact CD1-CD1 4.42Å; L1308-L1345 HydrophobicContact CG-CB 4.19Å; L1308-L1345 PolarHBondContact N-O 3.5Å; L1308-Y1346 HydrophobicContact CB-CD2 4Å |
| 1309 | S | 89.8 | Confident | 90.5 | Very high | 39 Ų | 39 | 41 Ų | 41 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 164.3 | 171.6 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | H1311 E1312 G1313 | S1309-H1311 PolarHBondContact O-N 2.99Å; S1309-E1312 WeakPolarHBondContact CB-OE2 3.47Å; S1309-E1312 PolarHBondContact N-OE2 3.16Å; S1309-E1312 PolarHBondContact O-N 3.47Å; S1309-E1312 VanDerWaalsContact O-N 3.13Å; S1309-E1312 VanDerWaalsContact OG-CD 3.25Å; S1309-E1312 PolarHBondContact OG-N 2.91Å; S1309-E1312 PolarHBondContact OG-OE2 2.9Å; S1309-G1313 PolarHBondContact O-N 2.98Å |
| 1310 | E | 85.9 | Confident | 90.4 | Very high | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.4 | -34.5 | 176.8 | -161.4 | 71.3 | 177.3 | 0 | 0 | 112.7 | G1314 Y1346 R1350 | E1310-G1314 PolarHBondContact O-N 3.1Å; E1310-Y1346 PolarHBondContact OE2-OH 3.22Å; E1310-Y1346 VanDerWaalsContact OE2-OH 3.1Å; E1310-R1350 WeakPolarHBondContact OE1-CD 3.36Å; E1310-R1350 IonicContact OE1-CZ 3.23Å; E1310-R1350 IonicContact OE1-NE 2.7Å; E1310-R1350 IonicContact OE1-NH1 2.86Å; E1310-R1350 WeakPolarHBondContact OE2-CD 3.47Å; E1310-R1350 IonicContact OE2-CZ 3.97Å; E1310-R1350 IonicContact OE2-NE 2.87Å; E1310-R1350 IonicContact OE2-NH1 3.32Å; E1310-R1350 PolarHBondContact OE2-NH1 2.95Å |
| 1311 | H | 86.1 | Confident | 90.4 | Very high | 60 Ų | 60 | 35.2 Ų | 35.2 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.6 | -45.1 | 177.5 | -63.5 | -76.2 | 0 | 0 | 0 | 111.6 | K1199 S1309 S1315 | K1199-H1311 WeakPolarHBondContact CE-NE2 3.48Å; S1309-H1311 PolarHBondContact O-N 2.99Å; H1311-S1315 VanDerWaalsContact O-CB 3.26Å; H1311-S1315 WeakPolarHBondContact O-CB 3.5Å; H1311-S1315 PolarHBondContact O-N 3.46Å; H1311-S1315 PolarHBondContact O-OG 3.5Å |
| 1312 | E | 92 | Very high | 90.1 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -49.1 | 178.3 | -72 | 150 | 154.1 | 0 | 0 | 110.7 | K1191 V1268 D1269 L1308 S1309 S1315 F1316 | K1191-E1312 WeakPolarHBondContact CE-OE1 3.45Å; K1191-E1312 IonicContact NZ-OE1 2.74Å; K1191-E1312 PolarHBondContact NZ-OE1 3.18Å; V1268-E1312 HydrophobicContact CG1-CG 4.28Å; V1268-E1312 WeakPolarHBondContact CG1-OE1 3.38Å; D1269-E1312 HydrophobicContact CB-CG 3.75Å; L1308-E1312 HydrophobicContact CD2-CB 4.1Å; S1309-E1312 WeakPolarHBondContact CB-OE2 3.47Å; S1309-E1312 PolarHBondContact N-OE2 3.16Å; S1309-E1312 PolarHBondContact O-N 3.47Å; S1309-E1312 VanDerWaalsContact O-N 3.13Å; S1309-E1312 VanDerWaalsContact OG-CD 3.25Å; S1309-E1312 PolarHBondContact OG-N 2.91Å; S1309-E1312 PolarHBondContact OG-OE2 2.9Å; E1312-S1315 PolarHBondContact O-N 2.91Å; E1312-S1315 PolarHBondContact O-OG 2.89Å; E1312-F1316 WeakPolarHBondContact O-CB 3.29Å; E1312-F1316 PolarHBondContact O-N 3.14Å |
| 1313 | G | 91 | Very high | 90 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1309 S1315 F1316 L1317 | S1309-G1313 PolarHBondContact O-N 2.98Å; G1313-S1315 VanDerWaalsContact C-N 3.31Å; G1313-S1315 PolarHBondContact O-N 2.87Å; G1313-F1316 PolarHBondContact O-N 3.04Å; G1313-L1317 VanDerWaalsContact O-CB 3.3Å; G1313-L1317 WeakPolarHBondContact O-CB 3.11Å; G1313-L1317 WeakPolarHBondContact O-CG 3.32Å; G1313-L1317 PolarHBondContact O-N 3.45Å |
| 1314 | G | 90.1 | Very high | 90 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.4 | -34.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1310 F1316 P1318 | E1310-G1314 PolarHBondContact O-N 3.1Å; G1314-F1316 VanDerWaalsContact C-N 3.28Å; G1314-F1316 PolarHBondContact O-N 3.35Å; G1314-P1318 VanDerWaalsContact O-CD 3.26Å; G1314-P1318 WeakPolarHBondContact O-CD 3.38Å; G1314-P1318 WeakPolarHBondContact O-CG 3.19Å |
| 1315 | S | 90.7 | Very high | 90 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.2 | -13.6 | 179.2 | 74.6 | 0 | 0 | 0 | 0 | 114.9 | W1206 H1311 E1312 G1313 Y1319 | W1206-S1315 PolarHBondContact NE1-O 3.3Å; H1311-S1315 VanDerWaalsContact O-CB 3.26Å; H1311-S1315 WeakPolarHBondContact O-CB 3.5Å; H1311-S1315 PolarHBondContact O-N 3.46Å; H1311-S1315 PolarHBondContact O-OG 3.5Å; E1312-S1315 PolarHBondContact O-N 2.91Å; E1312-S1315 PolarHBondContact O-OG 2.89Å; G1313-S1315 VanDerWaalsContact C-N 3.31Å; G1313-S1315 PolarHBondContact O-N 2.87Å; S1315-Y1319 WeakPolarHBondContact O-CD2 3.45Å; S1315-Y1319 WeakPolarHBondContact O-CE2 3.39Å |
| 1316 | F | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -126.3 | -48.1 | -168.4 | 174.9 | -107.3 | 0 | 0 | 0 | 113.8 | L1272 I1275 V1276 F1279 L1294 F1298 E1312 G1313 G1314 Y1319 L1320 | L1272-F1316 HydrophobicContact CB-CB 4.09Å; L1272-F1316 HydrophobicContact CB-CD2 3.94Å; L1272-F1316 HydrophobicContact CB-CG 4.12Å; L1272-F1316 HydrophobicContact CD1-CB 4.15Å; L1272-F1316 HydrophobicContact CD1-CD1 4.38Å; L1272-F1316 HydrophobicContact CD1-CG 4.14Å; L1272-F1316 HydrophobicContact CD2-CD1 4.36Å; L1272-F1316 HydrophobicContact CD2-CD2 3.91Å; L1272-F1316 HydrophobicContact CD2-CE1 4.42Å; L1272-F1316 HydrophobicContact CD2-CE2 3.97Å; L1272-F1316 HydrophobicContact CD2-CG 4.12Å; L1272-F1316 HydrophobicContact CD2-CZ 4.24Å; L1272-F1316 HydrophobicContact CG-CD2 4.37Å; L1272-F1316 HydrophobicContact CG-CG 4.36Å; I1275-F1316 HydrophobicContact CG2-CE2 4.45Å; V1276-F1316 HydrophobicContact CG2-CD2 3.94Å; F1279-F1316 HydrophobicContact CE2-CE2 4.01Å; F1279-F1316 AromaticContact CZ-CE2 3.92Å; F1279-F1316 HydrophobicContact CZ-CE2 3.92Å; F1279-F1316 HydrophobicContact CZ-CZ 4.39Å; L1294-F1316 HydrophobicContact CD1-CE2 4.09Å; L1294-F1316 HydrophobicContact CD1-CZ 3.76Å; L1294-F1316 HydrophobicContact CD2-CE2 4.03Å; L1294-F1316 HydrophobicContact CD2-CZ 3.72Å; L1294-F1316 HydrophobicContact CG-CZ 4.41Å; F1298-F1316 AromaticContact CE2-CE1 3.88Å; F1298-F1316 HydrophobicContact CE2-CE1 3.88Å; F1298-F1316 HydrophobicContact CE2-CZ 4.45Å; F1298-F1316 HydrophobicContact CZ-CD1 4.29Å; F1298-F1316 AromaticContact CZ-CE1 3.74Å; F1298-F1316 HydrophobicContact CZ-CE1 3.74Å; F1298-F1316 HydrophobicContact CZ-CZ 4.31Å; E1312-F1316 WeakPolarHBondContact O-CB 3.29Å; E1312-F1316 PolarHBondContact O-N 3.14Å; G1313-F1316 PolarHBondContact O-N 3.04Å; G1314-F1316 VanDerWaalsContact C-N 3.28Å; G1314-F1316 PolarHBondContact O-N 3.35Å; F1316-Y1319 PolarHBondContact O-N 3.12Å; F1316-Y1319 VanDerWaalsContact O-N 3.16Å; F1316-L1320 HydrophobicContact CE1-CB 4.32Å; F1316-L1320 HydrophobicContact CE1-CD2 3.91Å; F1316-L1320 HydrophobicContact CZ-CB 4.33Å; F1316-L1320 HydrophobicContact CZ-CD1 4.35Å; F1316-L1320 HydrophobicContact CZ-CD2 4.2Å; F1316-L1320 PolarHBondContact O-N 3.19Å |
| 1317 | L | 94.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -38.1 | -170.4 | -63.4 | 174.9 | 0 | 0 | 0 | 114.6 | G1313 Y1319 L1320 V1321 V1342 Y1346 L1351 F1354 | G1313-L1317 VanDerWaalsContact O-CB 3.3Å; G1313-L1317 WeakPolarHBondContact O-CB 3.11Å; G1313-L1317 WeakPolarHBondContact O-CG 3.32Å; G1313-L1317 PolarHBondContact O-N 3.45Å; L1317-Y1319 VanDerWaalsContact C-N 3.27Å; L1317-Y1319 PolarHBondContact O-N 2.66Å; L1317-L1320 HydrophobicContact CD2-CD2 4.36Å; L1317-L1320 PolarHBondContact O-N 3.19Å; L1317-V1321 WeakPolarHBondContact O-CG2 3.44Å; L1317-V1321 PolarHBondContact O-N 3.21Å; L1317-V1342 HydrophobicContact CD1-CG1 4.08Å; L1317-V1342 HydrophobicContact CD2-CB 4.48Å; L1317-V1342 HydrophobicContact CD2-CG1 3.69Å; L1317-V1342 HydrophobicContact CD2-CG2 3.98Å; L1317-Y1346 HydrophobicContact CD1-CD1 3.6Å; L1317-Y1346 HydrophobicContact CD1-CE1 3.77Å; L1317-Y1346 HydrophobicContact CD1-CG 4.01Å; L1317-L1351 HydrophobicContact CD1-CD1 4.3Å; L1317-L1351 HydrophobicContact CD2-CD1 4.48Å; L1317-F1354 HydrophobicContact CB-CD2 3.66Å; L1317-F1354 HydrophobicContact CB-CE2 3.9Å; L1317-F1354 HydrophobicContact CB-CG 4.26Å; L1317-F1354 HydrophobicContact CD1-CD2 3.95Å; L1317-F1354 HydrophobicContact CD1-CE2 3.86Å; L1317-F1354 HydrophobicContact CG-CD2 4.47Å; L1317-F1354 HydrophobicContact CG-CE2 4.5Å |
| 1318 | P | 92 | Very high | 89.3 | Confident | 45 Ų | 45 | 33 Ų | 33 | 29% | 0.292 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.2 | -42.5 | 172.6 | -25.4 | 34.7 | 0 | 0 | 0 | 112.5 | G1314 V1321 M1322 F1354 | G1314-P1318 VanDerWaalsContact O-CD 3.26Å; G1314-P1318 WeakPolarHBondContact O-CD 3.38Å; G1314-P1318 WeakPolarHBondContact O-CG 3.19Å; P1318-V1321 WeakPolarHBondContact O-CB 3.49Å; P1318-V1321 PolarHBondContact O-N 3.18Å; P1318-M1322 WeakPolarHBondContact O-CG 3.44Å; P1318-M1322 PolarHBondContact O-N 3.32Å; P1318-F1354 HydrophobicContact CG-CD1 3.83Å; P1318-F1354 HydrophobicContact CG-CE1 3.76Å; P1318-F1354 HydrophobicContact CG-CZ 4.48Å |
| 1319 | Y | 93.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.3 | -33 | -179 | -58.6 | -82.7 | 0 | 0 | 0 | 112.7 | W1206 F1208 V1276 F1280 S1315 F1316 L1317 M1322 | W1206-Y1319 AromaticContact CD1-CE2 3.83Å; W1206-Y1319 AromaticContact NE1-CE2 3.82Å; F1208-Y1319 WeakPolarHBondContact CD1-OH 3.49Å; F1208-Y1319 AromaticContact CD2-CE1 3.76Å; F1208-Y1319 HydrophobicContact CD2-CE1 3.76Å; F1208-Y1319 WeakPolarHBondContact CE1-OH 3.44Å; F1208-Y1319 HydrophobicContact CE2-CD1 4.49Å; F1208-Y1319 AromaticContact CE2-CE1 3.52Å; F1208-Y1319 HydrophobicContact CE2-CE1 3.52Å; F1208-Y1319 AromaticContact CE2-CZ 3.81Å; F1208-Y1319 HydrophobicContact CG-CE1 4.48Å; F1208-Y1319 WeakPolarHBondContact CG-OH 3.49Å; F1208-Y1319 HydrophobicContact CZ-CE1 4.09Å; F1208-Y1319 AromaticContact CZ-CZ 3.93Å; F1208-Y1319 WeakPolarHBondContact CZ-OH 3.44Å; F1208-Y1319 PolarHBondContact N-OH 2.99Å; F1208-Y1319 VanDerWaalsContact N-OH 3.13Å; F1208-Y1319 WeakPolarHBondContact O-CE1 3.28Å; V1276-Y1319 HydrophobicContact CB-CD2 4.49Å; V1276-Y1319 HydrophobicContact CB-CG 4.37Å; V1276-Y1319 HydrophobicContact CG1-CD1 3.58Å; V1276-Y1319 HydrophobicContact CG1-CD2 3.71Å; V1276-Y1319 HydrophobicContact CG1-CE1 3.92Å; V1276-Y1319 HydrophobicContact CG1-CE2 4.07Å; V1276-Y1319 HydrophobicContact CG1-CG 3.44Å; V1276-Y1319 VanDerWaalsContact CG1-CG 3.44Å; V1276-Y1319 HydrophobicContact CG2-CD2 3.9Å; V1276-Y1319 HydrophobicContact CG2-CG 3.96Å; F1280-Y1319 AromaticContact CE2-CD1 3.9Å; F1280-Y1319 HydrophobicContact CE2-CD1 3.9Å; F1280-Y1319 HydrophobicContact CE2-CE1 4.14Å; F1280-Y1319 AromaticContact CZ-CD1 3.87Å; F1280-Y1319 HydrophobicContact CZ-CD1 3.87Å; F1280-Y1319 HydrophobicContact CZ-CE1 4.03Å; S1315-Y1319 WeakPolarHBondContact O-CD2 3.45Å; S1315-Y1319 WeakPolarHBondContact O-CE2 3.39Å; F1316-Y1319 PolarHBondContact O-N 3.12Å; F1316-Y1319 VanDerWaalsContact O-N 3.16Å; L1317-Y1319 VanDerWaalsContact C-N 3.27Å; L1317-Y1319 PolarHBondContact O-N 2.66Å; Y1319-M1322 HydrophobicContact CD1-SD 4.11Å; Y1319-M1322 PolarHBondContact O-N 3.43Å |
| 1320 | L | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 169.2 | -174.8 | 67.3 | 0 | 0 | 0 | 110.9 | F1279 M1291 F1316 L1317 M1322 K1323 V1324 I1335 I1338 L1339 | F1279-L1320 HydrophobicContact CE2-CB 4.35Å; F1279-L1320 HydrophobicContact CE2-CD1 4.25Å; F1279-L1320 HydrophobicContact CZ-CD1 4.08Å; M1291-L1320 HydrophobicContact CE-CD1 4.43Å; F1316-L1320 HydrophobicContact CE1-CB 4.32Å; F1316-L1320 HydrophobicContact CE1-CD2 3.91Å; F1316-L1320 HydrophobicContact CZ-CB 4.33Å; F1316-L1320 HydrophobicContact CZ-CD1 4.35Å; F1316-L1320 HydrophobicContact CZ-CD2 4.2Å; F1316-L1320 PolarHBondContact O-N 3.19Å; L1317-L1320 HydrophobicContact CD2-CD2 4.36Å; L1317-L1320 PolarHBondContact O-N 3.19Å; L1320-M1322 VanDerWaalsContact C-N 3.3Å; L1320-M1322 PolarHBondContact O-N 3.18Å; L1320-K1323 WeakPolarHBondContact O-CA 3.41Å; L1320-K1323 PolarHBondContact O-N 3.19Å; L1320-V1324 PolarHBondContact O-N 2.91Å; L1320-I1335 HydrophobicContact CD1-CG1 4.17Å; L1320-I1335 HydrophobicContact CD1-CG2 4.02Å; L1320-I1335 HydrophobicContact CG-CG2 4.26Å; L1320-I1338 HydrophobicContact CD2-CG2 3.75Å; L1320-L1339 HydrophobicContact CD2-CD2 4.02Å; L1320-L1339 HydrophobicContact CD2-CG 4.46Å |
| 1321 | V | 91.7 | Very high | 88.1 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -38.6 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | L1317 P1318 K1323 V1324 F1354 L1355 | L1317-V1321 WeakPolarHBondContact O-CG2 3.44Å; L1317-V1321 PolarHBondContact O-N 3.21Å; P1318-V1321 WeakPolarHBondContact O-CB 3.49Å; P1318-V1321 PolarHBondContact O-N 3.18Å; V1321-K1323 PolarHBondContact O-N 3.24Å; V1321-K1323 VanDerWaalsContact O-N 3.14Å; V1321-V1324 WeakPolarHBondContact O-CG2 3.48Å; V1321-V1324 PolarHBondContact O-N 3.24Å; V1321-F1354 HydrophobicContact CG2-CB 4.12Å; V1321-L1355 HydrophobicContact CG2-CD2 4.12Å |
| 1322 | M | 86.1 | Confident | 88.2 | Confident | 90 Ų | 90 | 34.7 Ų | 34.7 | 44% | 0.443 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.2 | -23.4 | 172.6 | -67 | 170.4 | 80.5 | 0 | 0 | 113.5 | P1318 Y1319 L1320 | P1318-M1322 WeakPolarHBondContact O-CG 3.44Å; P1318-M1322 PolarHBondContact O-N 3.32Å; Y1319-M1322 HydrophobicContact CD1-SD 4.11Å; Y1319-M1322 PolarHBondContact O-N 3.43Å; L1320-M1322 VanDerWaalsContact C-N 3.3Å; L1320-M1322 PolarHBondContact O-N 3.18Å |
| 1323 | K | 88.2 | Confident | 88 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -98.3 | -10.1 | -176.8 | -64.8 | -53.9 | -171.3 | 179.5 | 0 | 115.7 | F1279 L1320 V1321 G1325 E1326 I1335 | F1279-K1323 HydrophobicContact CB-CG 4.29Å; F1279-K1323 HydrophobicContact CD2-CG 4.14Å; F1279-K1323 HydrophobicContact CG-CG 4.19Å; F1279-K1323 WeakPolarHBondContact O-CE 3.36Å; F1279-K1323 PolarHBondContact O-NZ 2.97Å; L1320-K1323 WeakPolarHBondContact O-CA 3.41Å; L1320-K1323 PolarHBondContact O-N 3.19Å; V1321-K1323 PolarHBondContact O-N 3.24Å; V1321-K1323 VanDerWaalsContact O-N 3.14Å; K1323-G1325 PolarHBondContact O-N 3.14Å; K1323-G1325 VanDerWaalsContact O-N 3.07Å; K1323-E1326 WeakPolarHBondContact O-CB 3.44Å; K1323-E1326 PolarHBondContact O-N 3.47Å; K1323-I1335 HydrophobicContact CB-CD1 3.68Å; K1323-I1335 VanDerWaalsContact O-CD1 3.23Å; K1323-I1335 WeakPolarHBondContact O-CD1 3.4Å |
| 1324 | V | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.1 | 179.5 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | L1320 V1321 E1326 R1332 I1335 L1339 E1369 | L1320-V1324 PolarHBondContact O-N 2.91Å; V1321-V1324 WeakPolarHBondContact O-CG2 3.48Å; V1321-V1324 PolarHBondContact O-N 3.24Å; V1324-E1326 PolarHBondContact O-N 2.94Å; V1324-R1332 WeakPolarHBondContact O-CG 3.4Å; V1324-I1335 HydrophobicContact CB-CG2 4.26Å; V1324-I1335 HydrophobicContact CG1-CG2 4.29Å; V1324-I1335 HydrophobicContact CG2-CG2 3.8Å; V1324-L1339 HydrophobicContact CG1-CD1 4.48Å; V1324-L1339 HydrophobicContact CG2-CD1 4.1Å; V1324-E1369 HydrophobicContact CB-CB 4.36Å; V1324-E1369 HydrophobicContact CG1-CB 3.46Å; V1324-E1369 VanDerWaalsContact CG1-CB 3.46Å; V1324-E1369 HydrophobicContact CG1-CG 4.34Å |
| 1325 | G | 86.7 | Confident | 87.8 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 17.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K1323 T1366 | K1323-G1325 PolarHBondContact O-N 3.14Å; K1323-G1325 VanDerWaalsContact O-N 3.07Å; G1325-T1366 WeakPolarHBondContact CA-OG1 3.41Å |
| 1326 | E | 87 | Confident | 87.8 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | trans | -55.3 | 138.2 | 178 | -147.2 | -76.5 | 155.2 | 0 | 0 | 110.9 | K1323 V1324 K1328 V1331 R1332 | K1323-E1326 WeakPolarHBondContact O-CB 3.44Å; K1323-E1326 PolarHBondContact O-N 3.47Å; V1324-E1326 PolarHBondContact O-N 2.94Å; E1326-K1328 VanDerWaalsContact C-N 3.26Å; E1326-K1328 PolarHBondContact O-N 2.97Å; E1326-K1328 VanDerWaalsContact O-N 3.15Å; E1326-K1328 VanDerWaalsContact OE2-CB 3.27Å; E1326-K1328 WeakPolarHBondContact OE2-CB 3.25Å; E1326-K1328 WeakPolarHBondContact OE2-CG 3.36Å; E1326-K1328 PolarHBondContact OE2-N 3.24Å; E1326-V1331 HydrophobicContact CB-CB 4.21Å; E1326-V1331 HydrophobicContact CB-CG1 3.91Å; E1326-V1331 HydrophobicContact CG-CB 4.34Å; E1326-V1331 HydrophobicContact CG-CG1 3.97Å; E1326-R1332 VanDerWaalsContact O-CD 3.31Å; E1326-R1332 WeakPolarHBondContact O-CD 3.49Å; E1326-R1332 WeakPolarHBondContact O-CG 3.47Å; E1326-R1332 PolarHBondContact O-NH1 3.45Å | ||
| 1327 | P | 79.3 | Confident | 87.6 | Confident | 101 Ų | 101 | 46.8 Ų | 46.8 | 66% | 0.656 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -56.8 | -26.3 | -174.7 | 17.1 | -33.1 | 0 | 0 | 0 | 116.3 | R1332 | P1327-R1332 PolarHBondContact O-NH1 2.89Š|
| 1328 | K | 79.8 | Confident | 87.6 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -92.6 | 123.8 | -176 | -55.8 | -178.5 | -176.5 | -170.7 | 0 | 112 | P1284 E1326 V1330 V1331 R1332 | P1284-K1328 VanDerWaalsContact CB-NZ 3.33Å; E1326-K1328 VanDerWaalsContact C-N 3.26Å; E1326-K1328 PolarHBondContact O-N 2.97Å; E1326-K1328 VanDerWaalsContact O-N 3.15Å; E1326-K1328 VanDerWaalsContact OE2-CB 3.27Å; E1326-K1328 WeakPolarHBondContact OE2-CB 3.25Å; E1326-K1328 WeakPolarHBondContact OE2-CG 3.36Å; E1326-K1328 PolarHBondContact OE2-N 3.24Å; K1328-V1330 VanDerWaalsContact C-N 3.29Å; K1328-V1330 PolarHBondContact O-N 3.32Å; K1328-V1331 HydrophobicContact CB-CG2 4.2Å; K1328-V1331 PolarHBondContact O-N 3.36Å; K1328-R1332 PolarHBondContact O-N 3.21Å |
| 1329 | D | 80.6 | Confident | 87.6 | Confident | 102 Ų | 102 | 44.7 Ų | 44.7 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.6 | -36.7 | -178.7 | -73.9 | -75.2 | 0 | 0 | 0 | 114.7 | V1331 R1332 Q1333 | D1329-V1331 VanDerWaalsContact C-N 3.31Å; D1329-V1331 PolarHBondContact O-N 3.49Å; D1329-R1332 PolarHBondContact O-N 3.43Å; D1329-R1332 IonicContact OD1-CZ 3.63Å; D1329-R1332 IonicContact OD1-NE 3.16Å; D1329-R1332 PolarHBondContact OD1-NE 2.86Å; D1329-R1332 IonicContact OD1-NH2 2.73Å; D1329-R1332 PolarHBondContact OD1-NH2 3.49Å; D1329-R1332 IonicContact OD2-CZ 3.43Å; D1329-R1332 IonicContact OD2-NH2 2.74Å; D1329-R1332 PolarHBondContact OD2-NH2 3.25Å; D1329-Q1333 WeakPolarHBondContact O-CB 3.49Å; D1329-Q1333 PolarHBondContact O-N 3.29Å |
| 1330 | V | 79.4 | Confident | 87.5 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | K1328 Q1333 N1334 | K1328-V1330 VanDerWaalsContact C-N 3.29Å; K1328-V1330 PolarHBondContact O-N 3.32Å; V1330-Q1333 PolarHBondContact O-N 2.69Å; V1330-N1334 PolarHBondContact O-N 3.49Å; V1330-N1334 PolarHBondContact O-OD1 3.27Å |
| 1331 | V | 83.7 | Confident | 87.5 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.9 | -40.7 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | E1326 K1328 D1329 Q1333 N1334 I1335 | E1326-V1331 HydrophobicContact CB-CB 4.21Å; E1326-V1331 HydrophobicContact CB-CG1 3.91Å; E1326-V1331 HydrophobicContact CG-CB 4.34Å; E1326-V1331 HydrophobicContact CG-CG1 3.97Å; K1328-V1331 HydrophobicContact CB-CG2 4.2Å; K1328-V1331 PolarHBondContact O-N 3.36Å; D1329-V1331 VanDerWaalsContact C-N 3.31Å; D1329-V1331 PolarHBondContact O-N 3.49Å; V1331-Q1333 VanDerWaalsContact C-N 3.34Å; V1331-Q1333 PolarHBondContact O-N 2.72Å; V1331-N1334 PolarHBondContact O-N 3.18Å; V1331-I1335 HydrophobicContact CG1-CD1 3.86Å; V1331-I1335 HydrophobicContact CG1-CG1 4.48Å; V1331-I1335 WeakPolarHBondContact O-CB 3.47Å; V1331-I1335 VanDerWaalsContact O-CG1 3.26Å; V1331-I1335 WeakPolarHBondContact O-CG1 3.41Å; V1331-I1335 PolarHBondContact O-N 3.29Å |
| 1332 | R | 87.9 | Confident | 87.5 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 173.6 | -59.8 | -163.4 | -78.9 | -101.2 | 5 | 112.3 | V1324 E1326 P1327 K1328 D1329 I1335 R1336 | V1324-R1332 WeakPolarHBondContact O-CG 3.4Å; E1326-R1332 VanDerWaalsContact O-CD 3.31Å; E1326-R1332 WeakPolarHBondContact O-CD 3.49Å; E1326-R1332 WeakPolarHBondContact O-CG 3.47Å; E1326-R1332 PolarHBondContact O-NH1 3.45Å; P1327-R1332 PolarHBondContact O-NH1 2.89Å; K1328-R1332 PolarHBondContact O-N 3.21Å; D1329-R1332 PolarHBondContact O-N 3.43Å; D1329-R1332 IonicContact OD1-CZ 3.63Å; D1329-R1332 IonicContact OD1-NE 3.16Å; D1329-R1332 PolarHBondContact OD1-NE 2.86Å; D1329-R1332 IonicContact OD1-NH2 2.73Å; D1329-R1332 PolarHBondContact OD1-NH2 3.49Å; D1329-R1332 IonicContact OD2-CZ 3.43Å; D1329-R1332 IonicContact OD2-NH2 2.74Å; D1329-R1332 PolarHBondContact OD2-NH2 3.25Å; R1332-I1335 PolarHBondContact O-N 3.13Å; R1332-R1336 PolarHBondContact O-N 2.88Å |
| 1333 | Q | 87.4 | Confident | 87.8 | Confident | 140 Ų | 140 | 47.7 Ų | 47.7 | 65% | 0.654 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.4 | -45.6 | 179 | -175.8 | 171.6 | -8.9 | 0 | 0 | 111.5 | D1329 V1330 V1331 I1335 R1336 G1337 | D1329-Q1333 WeakPolarHBondContact O-CB 3.49Å; D1329-Q1333 PolarHBondContact O-N 3.29Å; V1330-Q1333 PolarHBondContact O-N 2.69Å; V1331-Q1333 VanDerWaalsContact C-N 3.34Å; V1331-Q1333 PolarHBondContact O-N 2.72Å; Q1333-I1335 PolarHBondContact O-N 3.01Å; Q1333-R1336 PolarHBondContact O-N 3.19Å; Q1333-G1337 PolarHBondContact O-N 2.85Å |
| 1334 | N | 87.6 | Confident | 87.9 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.2 | -70.7 | 19.9 | 0 | 0 | 0 | 111.4 | M1291 V1330 V1331 R1336 G1337 I1338 | M1291-N1334 HydrophobicContact CB-CB 3.99Å; M1291-N1334 HydrophobicContact CG-CB 4.36Å; V1330-N1334 PolarHBondContact O-N 3.49Å; V1330-N1334 PolarHBondContact O-OD1 3.27Å; V1331-N1334 PolarHBondContact O-N 3.18Å; N1334-R1336 PolarHBondContact O-N 3.23Å; N1334-G1337 WeakPolarHBondContact O-CA 3.39Å; N1334-G1337 PolarHBondContact O-N 3.37Å; N1334-G1337 VanDerWaalsContact O-N 3.16Å; N1334-I1338 WeakPolarHBondContact O-CG1 3.19Å; N1334-I1338 PolarHBondContact O-N 3.28Å |
| 1335 | I | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176 | -68.6 | 169.1 | 0 | 0 | 0 | 111.6 | M1291 L1320 K1323 V1324 V1331 R1332 Q1333 G1337 I1338 L1339 | M1291-I1335 HydrophobicContact CE-CD1 3.85Å; M1291-I1335 HydrophobicContact CE-CG1 3.67Å; M1291-I1335 HydrophobicContact SD-CG1 3.93Å; L1320-I1335 HydrophobicContact CD1-CG1 4.17Å; L1320-I1335 HydrophobicContact CD1-CG2 4.02Å; L1320-I1335 HydrophobicContact CG-CG2 4.26Å; K1323-I1335 HydrophobicContact CB-CD1 3.68Å; K1323-I1335 VanDerWaalsContact O-CD1 3.23Å; K1323-I1335 WeakPolarHBondContact O-CD1 3.4Å; V1324-I1335 HydrophobicContact CB-CG2 4.26Å; V1324-I1335 HydrophobicContact CG1-CG2 4.29Å; V1324-I1335 HydrophobicContact CG2-CG2 3.8Å; V1331-I1335 HydrophobicContact CG1-CD1 3.86Å; V1331-I1335 HydrophobicContact CG1-CG1 4.48Å; V1331-I1335 WeakPolarHBondContact O-CB 3.47Å; V1331-I1335 VanDerWaalsContact O-CG1 3.26Å; V1331-I1335 WeakPolarHBondContact O-CG1 3.41Å; V1331-I1335 PolarHBondContact O-N 3.29Å; R1332-I1335 PolarHBondContact O-N 3.13Å; Q1333-I1335 PolarHBondContact O-N 3.01Å; I1335-G1337 VanDerWaalsContact C-N 3.34Å; I1335-I1338 PolarHBondContact O-N 2.98Å; I1335-L1339 HydrophobicContact CG2-CD1 4.24Å; I1335-L1339 HydrophobicContact CG2-CG 4.42Å; I1335-L1339 WeakPolarHBondContact O-CG 3.28Å; I1335-L1339 PolarHBondContact O-N 3.01Å |
| 1336 | R | 89.9 | Confident | 88.4 | Confident | 76 Ų | 76 | 49 Ų | 49 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 172.7 | -76.2 | -165.3 | -96.5 | -164.9 | -14.1 | 113.1 | R1332 Q1333 N1334 K1340 E1369 E1373 | R1332-R1336 PolarHBondContact O-N 2.88Å; Q1333-R1336 PolarHBondContact O-N 3.19Å; N1334-R1336 PolarHBondContact O-N 3.23Å; R1336-K1340 WeakPolarHBondContact O-CG 3.42Å; R1336-K1340 PolarHBondContact O-N 3.07Å; R1336-E1369 IonicContact CZ-OE1 3.51Å; R1336-E1369 IonicContact CZ-OE2 2.66Å; R1336-E1369 IonicContact NE-OE2 3.43Å; R1336-E1369 PolarHBondContact NE-OE2 3.41Å; R1336-E1369 VanDerWaalsContact NE-OE2 3.12Å; R1336-E1369 IonicContact NH1-OE2 3.59Å; R1336-E1369 IonicContact NH2-OE1 3Å; R1336-E1369 PolarHBondContact NH2-OE1 2.71Å; R1336-E1369 IonicContact NH2-OE2 2.75Å; R1336-E1369 PolarHBondContact NH2-OE2 2.72Å; R1336-E1373 WeakPolarHBondContact CD-OE1 3.39Å; R1336-E1373 HydrophobicContact CG-CG 4.39Å; R1336-E1373 VanDerWaalsContact CG-OE1 3.25Å; R1336-E1373 WeakPolarHBondContact CG-OE1 3.46Å |
| 1337 | G | 90.8 | Very high | 88.7 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1333 N1334 I1335 K1340 L1341 | Q1333-G1337 PolarHBondContact O-N 2.85Å; N1334-G1337 WeakPolarHBondContact O-CA 3.39Å; N1334-G1337 PolarHBondContact O-N 3.37Å; N1334-G1337 VanDerWaalsContact O-N 3.16Å; I1335-G1337 VanDerWaalsContact C-N 3.34Å; G1337-K1340 PolarHBondContact O-N 2.97Å; G1337-L1341 PolarHBondContact O-N 3.39Å; G1337-L1341 VanDerWaalsContact O-N 3.14Å |
| 1338 | I | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 179 | -68.3 | 163.3 | 0 | 0 | 0 | 111.7 | M1291 L1294 F1298 L1320 N1334 I1335 K1340 L1341 V1342 | M1291-I1338 HydrophobicContact CB-CD1 3.86Å; M1291-I1338 HydrophobicContact CG-CD1 4.16Å; M1291-I1338 HydrophobicContact SD-CD1 3.42Å; M1291-I1338 WeakPolarHBondContact SD-CD1 3.35Å; L1294-I1338 HydrophobicContact CB-CD1 3.87Å; L1294-I1338 HydrophobicContact CB-CG1 4.39Å; L1294-I1338 HydrophobicContact CD1-CD1 4.12Å; F1298-I1338 HydrophobicContact CD2-CG2 3.89Å; F1298-I1338 HydrophobicContact CE2-CG2 3.79Å; L1320-I1338 HydrophobicContact CD2-CG2 3.75Å; N1334-I1338 WeakPolarHBondContact O-CG1 3.19Å; N1334-I1338 PolarHBondContact O-N 3.28Å; I1335-I1338 PolarHBondContact O-N 2.98Å; I1338-K1340 VanDerWaalsContact C-N 3.29Å; I1338-K1340 PolarHBondContact O-N 2.81Å; I1338-L1341 PolarHBondContact O-N 3.21Å; I1338-L1341 VanDerWaalsContact O-N 3.12Å; I1338-V1342 HydrophobicContact CG2-CG2 4.3Å; I1338-V1342 WeakPolarHBondContact O-CG2 3.31Å; I1338-V1342 PolarHBondContact O-N 3.19Å |
| 1339 | L | 92.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 175.9 | -73.8 | 172.3 | 0 | 0 | 0 | 112.1 | L1320 V1324 I1335 L1341 V1342 V1343 L1351 L1355 E1373 | L1320-L1339 HydrophobicContact CD2-CD2 4.02Å; L1320-L1339 HydrophobicContact CD2-CG 4.46Å; V1324-L1339 HydrophobicContact CG1-CD1 4.48Å; V1324-L1339 HydrophobicContact CG2-CD1 4.1Å; I1335-L1339 HydrophobicContact CG2-CD1 4.24Å; I1335-L1339 HydrophobicContact CG2-CG 4.42Å; I1335-L1339 WeakPolarHBondContact O-CG 3.28Å; I1335-L1339 PolarHBondContact O-N 3.01Å; L1339-L1341 VanDerWaalsContact C-N 3.32Å; L1339-L1341 PolarHBondContact O-N 3.1Å; L1339-V1342 PolarHBondContact O-N 2.85Å; L1339-V1343 PolarHBondContact O-N 3.3Å; L1339-L1351 HydrophobicContact CD2-CD1 4.17Å; L1339-L1355 HydrophobicContact CD1-CD2 4.44Å; L1339-E1373 HydrophobicContact CD1-CG 4.12Å |
| 1340 | K | 91.5 | Very high | 90.3 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 50% | 0.504 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68 | -28.5 | 175.5 | -71.9 | 173.8 | -178.6 | -174.2 | 0 | 113.6 | R1336 G1337 I1338 | R1336-K1340 WeakPolarHBondContact O-CG 3.42Å; R1336-K1340 PolarHBondContact O-N 3.07Å; G1337-K1340 PolarHBondContact O-N 2.97Å; I1338-K1340 VanDerWaalsContact C-N 3.29Å; I1338-K1340 PolarHBondContact O-N 2.81Å |
| 1341 | L | 91.8 | Very high | 90.9 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -76.3 | -41.2 | 170.4 | -67 | 171.4 | 0 | 0 | 0 | 111.8 | T1295 F1298 V1299 G1337 I1338 L1339 V1343 N1344 | T1295-L1341 HydrophobicContact CG2-CD1 4.07Å; F1298-L1341 HydrophobicContact CB-CB 4.07Å; F1298-L1341 HydrophobicContact CB-CD1 4.13Å; V1299-L1341 HydrophobicContact CG2-CD1 3.96Å; V1299-L1341 HydrophobicContact CG2-CD2 4.01Å; G1337-L1341 PolarHBondContact O-N 3.39Å; G1337-L1341 VanDerWaalsContact O-N 3.14Å; I1338-L1341 PolarHBondContact O-N 3.21Å; I1338-L1341 VanDerWaalsContact O-N 3.12Å; L1339-L1341 VanDerWaalsContact C-N 3.32Å; L1339-L1341 PolarHBondContact O-N 3.1Å; L1341-V1343 PolarHBondContact O-N 2.9Å; L1341-N1344 WeakPolarHBondContact O-CB 3.49Å; L1341-N1344 PolarHBondContact O-N 3.18Å |
| 1342 | V | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -32.3 | 178 | 167.6 | 0 | 0 | 0 | 0 | 112.2 | F1298 L1317 I1338 L1339 N1344 L1345 Y1346 L1351 | F1298-V1342 HydrophobicContact CD2-CG2 3.87Å; F1298-V1342 HydrophobicContact CE2-CG2 3.53Å; F1298-V1342 HydrophobicContact CZ-CG2 4.47Å; L1317-V1342 HydrophobicContact CD1-CG1 4.08Å; L1317-V1342 HydrophobicContact CD2-CB 4.48Å; L1317-V1342 HydrophobicContact CD2-CG1 3.69Å; L1317-V1342 HydrophobicContact CD2-CG2 3.98Å; I1338-V1342 HydrophobicContact CG2-CG2 4.3Å; I1338-V1342 WeakPolarHBondContact O-CG2 3.31Å; I1338-V1342 PolarHBondContact O-N 3.19Å; L1339-V1342 PolarHBondContact O-N 2.85Å; V1342-N1344 PolarHBondContact O-N 3.42Å; V1342-L1345 PolarHBondContact O-N 3.07Å; V1342-Y1346 PolarHBondContact O-N 3.31Å; V1342-L1351 HydrophobicContact CG1-CD1 3.97Å; V1342-L1351 HydrophobicContact CG1-CD2 4.13Å |
| 1343 | V | 91.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -27.8 | 172.7 | 163 | 0 | 0 | 0 | 0 | 113.5 | L1339 L1341 P1348 L1351 L1377 F1381 | L1339-V1343 PolarHBondContact O-N 3.3Å; L1341-V1343 PolarHBondContact O-N 2.9Å; V1343-P1348 HydrophobicContact CG1-CG 4.22Å; V1343-L1351 HydrophobicContact CG2-CD2 3.68Å; V1343-L1377 HydrophobicContact CG2-CD2 3.79Å; V1343-F1381 HydrophobicContact CG1-CE2 3.66Å; V1343-F1381 HydrophobicContact CG1-CZ 3.47Å; V1343-F1381 VanDerWaalsContact CG1-CZ 3.47Å |
| 1344 | N | 90.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 35.2 Ų | 35.2 | 42% | 0.422 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -86.6 | -20.5 | 175.3 | -60.6 | -4.2 | 0 | 0 | 0 | 113 | S1302 L1341 V1342 | S1302-N1344 WeakPolarHBondContact OG-CB 3.38Å; S1302-N1344 PolarHBondContact OG-ND2 3.34Å; S1302-N1344 VanDerWaalsContact OG-ND2 3.16Å; L1341-N1344 WeakPolarHBondContact O-CB 3.49Å; L1341-N1344 PolarHBondContact O-N 3.18Å; V1342-N1344 PolarHBondContact O-N 3.42Å |
| 1345 | L | 92.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -103.5 | -16.4 | -172.8 | -56.4 | -177.2 | 0 | 0 | 0 | 113.9 | F1298 M1301 N1307 L1308 V1342 | F1298-L1345 HydrophobicContact CB-CD1 3.65Å; F1298-L1345 HydrophobicContact CD1-CD1 3.61Å; F1298-L1345 HydrophobicContact CD2-CD1 4.12Å; F1298-L1345 HydrophobicContact CE1-CD1 4.27Å; F1298-L1345 HydrophobicContact CG-CD1 3.53Å; M1301-L1345 HydrophobicContact CB-CD1 4.13Å; M1301-L1345 HydrophobicContact CB-CD2 3.81Å; N1307-L1345 WeakPolarHBondContact CA-O 3.49Å; L1308-L1345 HydrophobicContact CD1-CB 4.12Å; L1308-L1345 HydrophobicContact CD1-CD1 4.42Å; L1308-L1345 HydrophobicContact CG-CB 4.19Å; L1308-L1345 PolarHBondContact N-O 3.5Å; V1342-L1345 PolarHBondContact O-N 3.07Å |
| 1346 | Y | 95 | Very high | 92.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -148 | 141 | -170.4 | -163.7 | -106 | 0 | 0 | 0 | 110.7 | L1308 E1310 L1317 V1342 P1348 R1350 F1354 | L1308-Y1346 HydrophobicContact CB-CD2 4Å; E1310-Y1346 PolarHBondContact OE2-OH 3.22Å; E1310-Y1346 VanDerWaalsContact OE2-OH 3.1Å; L1317-Y1346 HydrophobicContact CD1-CD1 3.6Å; L1317-Y1346 HydrophobicContact CD1-CE1 3.77Å; L1317-Y1346 HydrophobicContact CD1-CG 4.01Å; V1342-Y1346 PolarHBondContact O-N 3.31Å; Y1346-P1348 WeakPolarHBondContact O-CD 3.13Å; Y1346-R1350 HydrophobicContact CD1-CB 4.17Å; Y1346-R1350 HydrophobicContact CE1-CB 3.47Å; Y1346-R1350 VanDerWaalsContact CE1-CB 3.47Å; Y1346-F1354 HydrophobicContact CE1-CD2 4.46Å; Y1346-F1354 AromaticContact CE1-CE2 3.78Å; Y1346-F1354 HydrophobicContact CE1-CE2 3.78Å |
| 1347 | P | 92 | Very high | 92.2 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 34% | 0.338 | 18% | 0.184 | S | C | . | . | trans | -54.7 | 121.9 | -174.9 | -28.2 | 35.8 | 0 | 0 | 0 | 112.9 | S1349 R1350 L1351 | P1347-S1349 PolarHBondContact O-N 3.48Å; P1347-S1349 VanDerWaalsContact O-N 3.13Å; P1347-R1350 HydrophobicContact CB-CB 4.35Å; P1347-R1350 HydrophobicContact CB-CG 4.22Å; P1347-R1350 WeakPolarHBondContact O-CA 3.31Å; P1347-R1350 PolarHBondContact O-N 2.89Å; P1347-L1351 PolarHBondContact O-N 3.11Å | ||
| 1348 | P | 91.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 20% | 0.195 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -33.9 | -176.4 | -30.2 | 37 | 0 | 0 | 0 | 113.8 | V1343 Y1346 R1350 L1351 F1352 L1377 F1381 V1385 | V1343-P1348 HydrophobicContact CG1-CG 4.22Å; Y1346-P1348 WeakPolarHBondContact O-CD 3.13Å; P1348-R1350 VanDerWaalsContact C-N 3.3Å; P1348-R1350 PolarHBondContact O-N 3.37Å; P1348-L1351 PolarHBondContact O-N 3.15Å; P1348-F1352 WeakPolarHBondContact O-CB 3.29Å; P1348-F1352 PolarHBondContact O-N 3.11Å; P1348-L1377 HydrophobicContact CB-CD2 4.46Å; P1348-F1381 HydrophobicContact CB-CD2 4.03Å; P1348-F1381 HydrophobicContact CB-CE2 4.01Å; P1348-F1381 HydrophobicContact CB-CG 4.48Å; P1348-F1381 HydrophobicContact CB-CZ 4.44Å; P1348-F1381 HydrophobicContact CG-CD2 4.39Å; P1348-F1381 HydrophobicContact CG-CE1 4.27Å; P1348-F1381 HydrophobicContact CG-CE2 3.98Å; P1348-F1381 HydrophobicContact CG-CZ 3.92Å; P1348-V1385 HydrophobicContact CB-CG2 3.93Å; P1348-V1385 WeakPolarHBondContact O-CG2 3.42Å |
| 1349 | S | 90.2 | Very high | 91.9 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.6 | -25.3 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | P1347 Q1387 | P1347-S1349 PolarHBondContact O-N 3.48Å; P1347-S1349 VanDerWaalsContact O-N 3.13Å; S1349-Q1387 WeakPolarHBondContact O-CG 3.48Å |
| 1350 | R | 90.9 | Very high | 91.7 | Very high | 118 Ų | 118 | 39.4 Ų | 39.4 | 45% | 0.445 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -83.9 | -39.1 | 170.3 | -66.1 | -172.6 | -179.3 | 152.4 | 5.5 | 111.4 | E1310 Y1346 P1347 P1348 F1352 T1353 | E1310-R1350 WeakPolarHBondContact OE1-CD 3.36Å; E1310-R1350 IonicContact OE1-CZ 3.23Å; E1310-R1350 IonicContact OE1-NE 2.7Å; E1310-R1350 IonicContact OE1-NH1 2.86Å; E1310-R1350 WeakPolarHBondContact OE2-CD 3.47Å; E1310-R1350 IonicContact OE2-CZ 3.97Å; E1310-R1350 IonicContact OE2-NE 2.87Å; E1310-R1350 IonicContact OE2-NH1 3.32Å; E1310-R1350 PolarHBondContact OE2-NH1 2.95Å; Y1346-R1350 HydrophobicContact CD1-CB 4.17Å; Y1346-R1350 HydrophobicContact CE1-CB 3.47Å; Y1346-R1350 VanDerWaalsContact CE1-CB 3.47Å; P1347-R1350 HydrophobicContact CB-CB 4.35Å; P1347-R1350 HydrophobicContact CB-CG 4.22Å; P1347-R1350 WeakPolarHBondContact O-CA 3.31Å; P1347-R1350 PolarHBondContact O-N 2.89Å; P1348-R1350 VanDerWaalsContact C-N 3.3Å; P1348-R1350 PolarHBondContact O-N 3.37Å; R1350-F1352 PolarHBondContact O-N 3.06Å; R1350-T1353 PolarHBondContact O-N 3.2Å; R1350-T1353 VanDerWaalsContact O-N 3.11Å; R1350-T1353 PolarHBondContact O-OG1 2.92Å |
| 1351 | L | 93.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.9 | -39.9 | 171.7 | -179.6 | 61.9 | 0 | 0 | 0 | 111.6 | L1317 L1339 V1342 V1343 P1347 P1348 T1353 F1354 L1355 L1377 | L1317-L1351 HydrophobicContact CD1-CD1 4.3Å; L1317-L1351 HydrophobicContact CD2-CD1 4.48Å; L1339-L1351 HydrophobicContact CD2-CD1 4.17Å; V1342-L1351 HydrophobicContact CG1-CD1 3.97Å; V1342-L1351 HydrophobicContact CG1-CD2 4.13Å; V1343-L1351 HydrophobicContact CG2-CD2 3.68Å; P1347-L1351 PolarHBondContact O-N 3.11Å; P1348-L1351 PolarHBondContact O-N 3.15Å; L1351-T1353 VanDerWaalsContact C-N 3.3Å; L1351-T1353 PolarHBondContact O-N 2.8Å; L1351-F1354 PolarHBondContact O-N 2.94Å; L1351-L1355 HydrophobicContact CG-CD1 4.19Å; L1351-L1355 PolarHBondContact O-N 3.12Å; L1351-L1355 VanDerWaalsContact O-N 3.07Å; L1351-L1377 HydrophobicContact CD2-CD1 4.42Å |
| 1352 | F | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -32.4 | 177.4 | -166.6 | -83.3 | 0 | 0 | 0 | 113.5 | P1348 R1350 L1355 T1356 M1374 L1377 I1378 V1385 C1386 A1393 I1397 | P1348-F1352 WeakPolarHBondContact O-CB 3.29Å; P1348-F1352 PolarHBondContact O-N 3.11Å; R1350-F1352 PolarHBondContact O-N 3.06Å; F1352-L1355 PolarHBondContact O-N 3.4Å; F1352-T1356 WeakPolarHBondContact CD1-OG1 3.02Å; F1352-T1356 WeakPolarHBondContact CE1-OG1 3.49Å; F1352-T1356 VanDerWaalsContact O-CB 3.31Å; F1352-T1356 WeakPolarHBondContact O-CB 3.36Å; F1352-T1356 PolarHBondContact O-N 3.12Å; F1352-T1356 PolarHBondContact O-OG1 3.47Å; F1352-M1374 HydrophobicContact CD2-CB 4.49Å; F1352-M1374 HydrophobicContact CD2-CG 4.25Å; F1352-M1374 HydrophobicContact CE1-CE 3.76Å; F1352-M1374 HydrophobicContact CE2-CB 3.82Å; F1352-M1374 HydrophobicContact CE2-CE 4.19Å; F1352-M1374 HydrophobicContact CE2-CG 3.91Å; F1352-M1374 HydrophobicContact CZ-CB 4.27Å; F1352-M1374 HydrophobicContact CZ-CE 3.53Å; F1352-M1374 HydrophobicContact CZ-CG 4.22Å; F1352-L1377 HydrophobicContact CB-CD1 4.3Å; F1352-L1377 HydrophobicContact CD2-CB 4.15Å; F1352-L1377 HydrophobicContact CD2-CD1 4.01Å; F1352-I1378 HydrophobicContact CE2-CD1 4.1Å; F1352-I1378 HydrophobicContact CE2-CG1 3.97Å; F1352-I1378 HydrophobicContact CZ-CD1 4.2Å; F1352-I1378 HydrophobicContact CZ-CG1 4.44Å; F1352-V1385 HydrophobicContact CB-CG2 4.11Å; F1352-V1385 WeakPolarHBondContact CB-O 3.22Å; F1352-V1385 HydrophobicContact CD2-CG1 3.74Å; F1352-V1385 HydrophobicContact CD2-CG2 4.23Å; F1352-V1385 HydrophobicContact CE2-CG1 3.96Å; F1352-V1385 HydrophobicContact CG-CG1 4.39Å; F1352-V1385 HydrophobicContact CG-CG2 4.43Å; F1352-V1385 WeakPolarHBondContact CG-O 3.48Å; F1352-C1386 HydrophobicContact CE1-CB 4.36Å; F1352-A1393 HydrophobicContact CE1-CB 3.85Å; F1352-A1393 HydrophobicContact CZ-CB 4.39Å; F1352-I1397 HydrophobicContact CZ-CD1 4.44Å |
| 1353 | T | 92.4 | Very high | 91 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.7 | -34.8 | 176.4 | 70 | 0 | 0 | 0 | 0 | 111.9 | R1350 L1351 T1356 N1357 Q1387 | R1350-T1353 PolarHBondContact O-N 3.2Å; R1350-T1353 VanDerWaalsContact O-N 3.11Å; R1350-T1353 PolarHBondContact O-OG1 2.92Å; L1351-T1353 VanDerWaalsContact C-N 3.3Å; L1351-T1353 PolarHBondContact O-N 2.8Å; T1353-T1356 PolarHBondContact O-N 2.69Å; T1353-N1357 PolarHBondContact O-N 2.85Å; T1353-N1357 VanDerWaalsContact O-N 3.12Å; T1353-N1357 PolarHBondContact O-ND2 3.48Å; T1353-Q1387 HydrophobicContact CG2-CB 3.6Å |
| 1354 | F | 92.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 172.8 | -60.9 | -51.8 | 0 | 0 | 0 | 111.4 | L1317 P1318 V1321 Y1346 L1351 T1356 N1357 G1358 | L1317-F1354 HydrophobicContact CB-CD2 3.66Å; L1317-F1354 HydrophobicContact CB-CE2 3.9Å; L1317-F1354 HydrophobicContact CB-CG 4.26Å; L1317-F1354 HydrophobicContact CD1-CD2 3.95Å; L1317-F1354 HydrophobicContact CD1-CE2 3.86Å; L1317-F1354 HydrophobicContact CG-CD2 4.47Å; L1317-F1354 HydrophobicContact CG-CE2 4.5Å; P1318-F1354 HydrophobicContact CG-CD1 3.83Å; P1318-F1354 HydrophobicContact CG-CE1 3.76Å; P1318-F1354 HydrophobicContact CG-CZ 4.48Å; V1321-F1354 HydrophobicContact CG2-CB 4.12Å; Y1346-F1354 HydrophobicContact CE1-CD2 4.46Å; Y1346-F1354 AromaticContact CE1-CE2 3.78Å; Y1346-F1354 HydrophobicContact CE1-CE2 3.78Å; L1351-F1354 PolarHBondContact O-N 2.94Å; F1354-T1356 VanDerWaalsContact C-N 3.31Å; F1354-T1356 PolarHBondContact O-N 3.13Å; F1354-N1357 PolarHBondContact O-N 3.42Å; F1354-N1357 VanDerWaalsContact O-N 3.13Å; F1354-G1358 PolarHBondContact O-N 3.33Å; F1354-G1358 VanDerWaalsContact O-N 3.08Å |
| 1355 | L | 93.9 | Very high | 91 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 174.8 | -68.2 | 167.3 | 0 | 0 | 0 | 112.2 | V1321 L1339 L1351 F1352 N1357 G1358 T1359 C1370 E1373 M1374 L1377 | V1321-L1355 HydrophobicContact CG2-CD2 4.12Å; L1339-L1355 HydrophobicContact CD1-CD2 4.44Å; L1351-L1355 HydrophobicContact CG-CD1 4.19Å; L1351-L1355 PolarHBondContact O-N 3.12Å; L1351-L1355 VanDerWaalsContact O-N 3.07Å; F1352-L1355 PolarHBondContact O-N 3.4Å; L1355-N1357 VanDerWaalsContact C-N 3.29Å; L1355-N1357 PolarHBondContact O-N 2.92Å; L1355-G1358 VanDerWaalsContact O-CA 3.29Å; L1355-G1358 WeakPolarHBondContact O-CA 3.41Å; L1355-G1358 PolarHBondContact O-N 3.37Å; L1355-T1359 PolarHBondContact O-N 3.08Å; L1355-C1370 HydrophobicContact CD2-CB 4.48Å; L1355-E1373 HydrophobicContact CD1-CB 4.27Å; L1355-E1373 HydrophobicContact CD2-CB 4.35Å; L1355-M1374 HydrophobicContact CB-CG 3.68Å; L1355-M1374 HydrophobicContact CB-SD 4.13Å; L1355-M1374 HydrophobicContact CD1-CG 4.42Å; L1355-L1377 HydrophobicContact CD1-CD1 3.56Å |
| 1356 | T | 91.6 | Very high | 91 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -38.7 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | F1352 T1353 F1354 G1358 T1359 M1374 L1396 | F1352-T1356 WeakPolarHBondContact CD1-OG1 3.02Å; F1352-T1356 WeakPolarHBondContact CE1-OG1 3.49Å; F1352-T1356 VanDerWaalsContact O-CB 3.31Å; F1352-T1356 WeakPolarHBondContact O-CB 3.36Å; F1352-T1356 PolarHBondContact O-N 3.12Å; F1352-T1356 PolarHBondContact O-OG1 3.47Å; T1353-T1356 PolarHBondContact O-N 2.69Å; F1354-T1356 VanDerWaalsContact C-N 3.31Å; F1354-T1356 PolarHBondContact O-N 3.13Å; T1356-G1358 VanDerWaalsContact C-N 3.32Å; T1356-T1359 WeakPolarHBondContact O-CB 3.18Å; T1356-T1359 PolarHBondContact O-N 3.47Å; T1356-T1359 PolarHBondContact O-OG1 3.1Å; T1356-M1374 HydrophobicContact CG2-CE 4.48Å; T1356-M1374 WeakPolarHBondContact OG1-CE 3.49Å; T1356-L1396 HydrophobicContact CG2-CD1 3.75Å |
| 1357 | N | 88.6 | Confident | 91 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.3 | -28.9 | 172.1 | -75.6 | -40.4 | 0 | 0 | 0 | 112.6 | T1353 F1354 L1355 T1359 K1360 | T1353-N1357 PolarHBondContact O-N 2.85Å; T1353-N1357 VanDerWaalsContact O-N 3.12Å; T1353-N1357 PolarHBondContact O-ND2 3.48Å; F1354-N1357 PolarHBondContact O-N 3.42Å; F1354-N1357 VanDerWaalsContact O-N 3.13Å; L1355-N1357 VanDerWaalsContact C-N 3.29Å; L1355-N1357 PolarHBondContact O-N 2.92Å; N1357-T1359 PolarHBondContact O-N 3.12Å; N1357-K1360 WeakPolarHBondContact O-CB 3.48Å; N1357-K1360 PolarHBondContact O-N 2.84Å; N1357-K1360 PolarHBondContact OD1-NZ 3.04Å |
| 1358 | G | 89.9 | Confident | 91.1 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.8 | -28.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1354 L1355 T1356 K1360 A1361 | F1354-G1358 PolarHBondContact O-N 3.33Å; F1354-G1358 VanDerWaalsContact O-N 3.08Å; L1355-G1358 VanDerWaalsContact O-CA 3.29Å; L1355-G1358 WeakPolarHBondContact O-CA 3.41Å; L1355-G1358 PolarHBondContact O-N 3.37Å; T1356-G1358 VanDerWaalsContact C-N 3.32Å; G1358-K1360 PolarHBondContact O-N 2.8Å; G1358-K1360 VanDerWaalsContact O-N 3.14Å; G1358-A1361 WeakPolarHBondContact O-CB 3.39Å; G1358-A1361 PolarHBondContact O-N 3Å |
| 1359 | T | 90.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.7 | 172.7 | 73.4 | 0 | 0 | 0 | 0 | 113.9 | L1355 T1356 N1357 R1367 L1371 M1374 Q1400 | L1355-T1359 PolarHBondContact O-N 3.08Å; T1356-T1359 WeakPolarHBondContact O-CB 3.18Å; T1356-T1359 PolarHBondContact O-N 3.47Å; T1356-T1359 PolarHBondContact O-OG1 3.1Å; N1357-T1359 PolarHBondContact O-N 3.12Å; T1359-R1367 WeakPolarHBondContact O-CD 3.46Å; T1359-R1367 WeakPolarHBondContact O-CG 3.41Å; T1359-L1371 HydrophobicContact CG2-CD2 3.91Å; T1359-L1371 HydrophobicContact CG2-CG 4.22Å; T1359-M1374 HydrophobicContact CG2-CE 4.33Å; T1359-M1374 HydrophobicContact CG2-SD 3.72Å; T1359-Q1400 PolarHBondContact O-NE2 2.71Å |
| 1360 | K | 88.8 | Confident | 91.4 | Very high | 139 Ų | 139 | 44.6 Ų | 44.6 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.6 | 175.8 | -55.2 | 167.9 | -173.9 | 164.3 | 0 | 112.8 | N1357 G1358 | N1357-K1360 WeakPolarHBondContact O-CB 3.48Å; N1357-K1360 PolarHBondContact O-N 2.84Å; N1357-K1360 PolarHBondContact OD1-NZ 3.04Å; G1358-K1360 PolarHBondContact O-N 2.8Å; G1358-K1360 VanDerWaalsContact O-N 3.14Å |
| 1361 | A | 88.4 | Confident | 91.7 | Very high | 24 Ų | 24 | 39 Ų | 39 | 20% | 0.198 | 20% | 0.196 | C | C | . | . | trans | -63.9 | 142.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1358 T1363 T1366 R1367 | G1358-A1361 WeakPolarHBondContact O-CB 3.39Å; G1358-A1361 PolarHBondContact O-N 3Å; A1361-T1363 PolarHBondContact O-N 3.14Å; A1361-T1366 HydrophobicContact CB-CG2 3.57Å; A1361-R1367 HydrophobicContact CB-CG 4.47Å; A1361-R1367 WeakPolarHBondContact O-CD 3.36Å; A1361-R1367 WeakPolarHBondContact O-CG 3.05Å; A1361-R1367 PolarHBondContact O-NH1 3.27Å | ||
| 1362 | K | 84.7 | Confident | 91.7 | Very high | 212 Ų | 212 | 40.8 Ų | 40.8 | 92% | 0.922 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -61.8 | -41 | -178.6 | -65.7 | 173.4 | -178.5 | 168.6 | 0 | 112.1 | R1367 | K1362-R1367 PolarHBondContact O-NH1 3.42Š|
| 1363 | T | 87.5 | Confident | 91.7 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -71.5 | 121.6 | 175.5 | 22.8 | 0 | 0 | 0 | 0 | 111.9 | A1361 K1365 T1366 R1367 | A1361-T1363 PolarHBondContact O-N 3.14Å; T1363-K1365 PolarHBondContact O-N 2.66Å; T1363-T1366 WeakPolarHBondContact CB-OG1 3.05Å; T1363-T1366 WeakPolarHBondContact O-CB 3.22Å; T1363-T1366 PolarHBondContact O-N 3.35Å; T1363-T1366 VanDerWaalsContact O-N 3.1Å; T1363-T1366 PolarHBondContact OG1-OG1 3.28Å; T1363-R1367 PolarHBondContact O-N 3.35Å |
| 1364 | S | 90.2 | Very high | 91.8 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -36.5 | 175.4 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | T1366 R1367 Q1368 D1405 V1408 | S1364-T1366 VanDerWaalsContact C-N 3.3Å; S1364-T1366 PolarHBondContact O-N 3.23Å; S1364-R1367 WeakPolarHBondContact O-CB 3.21Å; S1364-R1367 PolarHBondContact O-N 3.31Å; S1364-R1367 VanDerWaalsContact O-N 3.11Å; S1364-Q1368 PolarHBondContact O-N 2.94Å; S1364-D1405 WeakPolarHBondContact CB-OD2 3.43Å; S1364-D1405 PolarHBondContact OG-OD2 2.84Å; S1364-V1408 WeakPolarHBondContact O-CG2 3.46Å |
| 1365 | K | 92.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -35.4 | 176 | -166.3 | 49.2 | 166.1 | 164.8 | 0 | 113.2 | T1363 E1369 | T1363-K1365 PolarHBondContact O-N 2.66Å; K1365-E1369 HydrophobicContact CD-CG 4.03Å; K1365-E1369 VanDerWaalsContact CE-OE1 3.22Å; K1365-E1369 WeakPolarHBondContact CE-OE1 3.23Å; K1365-E1369 HydrophobicContact CG-CG 4.41Å; K1365-E1369 IonicContact NZ-OE1 2.99Å; K1365-E1369 PolarHBondContact NZ-OE1 2.81Å; K1365-E1369 WeakPolarHBondContact O-CG 3.47Å; K1365-E1369 PolarHBondContact O-N 3.05Å; K1365-E1369 VanDerWaalsContact O-N 3.12Å |
| 1366 | T | 92 | Very high | 91.8 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 172.4 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | G1325 A1361 T1363 S1364 E1369 C1370 | G1325-T1366 WeakPolarHBondContact CA-OG1 3.41Å; A1361-T1366 HydrophobicContact CB-CG2 3.57Å; T1363-T1366 WeakPolarHBondContact CB-OG1 3.05Å; T1363-T1366 WeakPolarHBondContact O-CB 3.22Å; T1363-T1366 PolarHBondContact O-N 3.35Å; T1363-T1366 VanDerWaalsContact O-N 3.1Å; T1363-T1366 PolarHBondContact OG1-OG1 3.28Å; S1364-T1366 VanDerWaalsContact C-N 3.3Å; S1364-T1366 PolarHBondContact O-N 3.23Å; T1366-E1369 PolarHBondContact O-N 3.11Å; T1366-C1370 WeakPolarHBondContact O-CB 3.32Å; T1366-C1370 PolarHBondContact O-N 3.1Å; T1366-C1370 PolarHBondContact O-SG 3.36Å |
| 1367 | R | 94.8 | Very high | 91.8 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 176.6 | -61.8 | -164.7 | -65.1 | -77.6 | 5.5 | 111.8 | T1359 A1361 K1362 T1363 S1364 C1370 L1371 D1403 V1408 | T1359-R1367 WeakPolarHBondContact O-CD 3.46Å; T1359-R1367 WeakPolarHBondContact O-CG 3.41Å; A1361-R1367 HydrophobicContact CB-CG 4.47Å; A1361-R1367 WeakPolarHBondContact O-CD 3.36Å; A1361-R1367 WeakPolarHBondContact O-CG 3.05Å; A1361-R1367 PolarHBondContact O-NH1 3.27Å; K1362-R1367 PolarHBondContact O-NH1 3.42Å; T1363-R1367 PolarHBondContact O-N 3.35Å; S1364-R1367 WeakPolarHBondContact O-CB 3.21Å; S1364-R1367 PolarHBondContact O-N 3.31Å; S1364-R1367 VanDerWaalsContact O-N 3.11Å; R1367-C1370 PolarHBondContact O-N 3.48Å; R1367-L1371 WeakPolarHBondContact O-CD1 3.41Å; R1367-L1371 VanDerWaalsContact O-CG 3.25Å; R1367-L1371 WeakPolarHBondContact O-CG 3.24Å; R1367-L1371 PolarHBondContact O-N 3.13Å; R1367-D1403 IonicContact CZ-OD2 3.11Å; R1367-D1403 IonicContact NE-OD2 3.07Å; R1367-D1403 PolarHBondContact NE-OD2 2.78Å; R1367-D1403 IonicContact NH2-OD1 2.67Å; R1367-D1403 PolarHBondContact NH2-OD1 2.68Å; R1367-D1403 IonicContact NH2-OD2 2.73Å; R1367-D1403 PolarHBondContact NH2-OD2 2.94Å; R1367-V1408 HydrophobicContact CB-CG1 4.19Å; R1367-V1408 HydrophobicContact CB-CG2 4.01Å |
| 1368 | Q | 94.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.8 | -56.4 | 177.8 | -178.6 | -170.3 | 7.4 | 0 | 0 | 111.1 | S1364 C1370 L1371 D1372 V1408 A1411 | S1364-Q1368 PolarHBondContact O-N 2.94Å; Q1368-C1370 VanDerWaalsContact C-N 3.3Å; Q1368-C1370 PolarHBondContact O-N 3.1Å; Q1368-L1371 WeakPolarHBondContact O-CB 3.33Å; Q1368-L1371 PolarHBondContact O-N 2.89Å; Q1368-L1371 VanDerWaalsContact O-N 3.1Å; Q1368-D1372 PolarHBondContact O-N 2.89Å; Q1368-V1408 HydrophobicContact CB-CG2 4.15Å; Q1368-A1411 HydrophobicContact CG-CB 3.92Å |
| 1369 | E | 94 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.5 | -31.9 | -172.6 | -56.9 | -94.2 | 132.8 | 0 | 0 | 111.5 | V1324 R1336 K1365 T1366 E1373 | V1324-E1369 HydrophobicContact CB-CB 4.36Å; V1324-E1369 HydrophobicContact CG1-CB 3.46Å; V1324-E1369 VanDerWaalsContact CG1-CB 3.46Å; V1324-E1369 HydrophobicContact CG1-CG 4.34Å; R1336-E1369 IonicContact CZ-OE1 3.51Å; R1336-E1369 IonicContact CZ-OE2 2.66Å; R1336-E1369 IonicContact NE-OE2 3.43Å; R1336-E1369 PolarHBondContact NE-OE2 3.41Å; R1336-E1369 VanDerWaalsContact NE-OE2 3.12Å; R1336-E1369 IonicContact NH1-OE2 3.59Å; R1336-E1369 IonicContact NH2-OE1 3Å; R1336-E1369 PolarHBondContact NH2-OE1 2.71Å; R1336-E1369 IonicContact NH2-OE2 2.75Å; R1336-E1369 PolarHBondContact NH2-OE2 2.72Å; K1365-E1369 HydrophobicContact CD-CG 4.03Å; K1365-E1369 VanDerWaalsContact CE-OE1 3.22Å; K1365-E1369 WeakPolarHBondContact CE-OE1 3.23Å; K1365-E1369 HydrophobicContact CG-CG 4.41Å; K1365-E1369 IonicContact NZ-OE1 2.99Å; K1365-E1369 PolarHBondContact NZ-OE1 2.81Å; K1365-E1369 WeakPolarHBondContact O-CG 3.47Å; K1365-E1369 PolarHBondContact O-N 3.05Å; K1365-E1369 VanDerWaalsContact O-N 3.12Å; T1366-E1369 PolarHBondContact O-N 3.11Å; E1369-E1373 WeakPolarHBondContact O-CG 3.34Å; E1369-E1373 PolarHBondContact O-N 3.25Å; E1369-E1373 VanDerWaalsContact O-N 3.09Å |
| 1370 | C | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 171.6 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | L1355 T1366 R1367 Q1368 M1374 | L1355-C1370 HydrophobicContact CD2-CB 4.48Å; T1366-C1370 WeakPolarHBondContact O-CB 3.32Å; T1366-C1370 PolarHBondContact O-N 3.1Å; T1366-C1370 PolarHBondContact O-SG 3.36Å; R1367-C1370 PolarHBondContact O-N 3.48Å; Q1368-C1370 VanDerWaalsContact C-N 3.3Å; Q1368-C1370 PolarHBondContact O-N 3.1Å; C1370-M1374 WeakPolarHBondContact O-CB 3.47Å; C1370-M1374 WeakPolarHBondContact O-CG 3.44Å; C1370-M1374 PolarHBondContact O-N 3.33Å |
| 1371 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 176.4 | -71.5 | 162.4 | 0 | 0 | 0 | 112.3 | T1359 R1367 Q1368 M1374 G1375 I1397 Q1400 V1408 A1411 A1412 | T1359-L1371 HydrophobicContact CG2-CD2 3.91Å; T1359-L1371 HydrophobicContact CG2-CG 4.22Å; R1367-L1371 WeakPolarHBondContact O-CD1 3.41Å; R1367-L1371 VanDerWaalsContact O-CG 3.25Å; R1367-L1371 WeakPolarHBondContact O-CG 3.24Å; R1367-L1371 PolarHBondContact O-N 3.13Å; Q1368-L1371 WeakPolarHBondContact O-CB 3.33Å; Q1368-L1371 PolarHBondContact O-N 2.89Å; Q1368-L1371 VanDerWaalsContact O-N 3.1Å; L1371-M1374 PolarHBondContact O-N 3.12Å; L1371-G1375 PolarHBondContact O-N 3.22Å; L1371-I1397 HydrophobicContact CD2-CB 4.46Å; L1371-I1397 HydrophobicContact CD2-CG1 4.26Å; L1371-I1397 HydrophobicContact CD2-CG2 4.04Å; L1371-Q1400 HydrophobicContact CD1-CB 3.82Å; L1371-Q1400 HydrophobicContact CD1-CG 3.96Å; L1371-Q1400 HydrophobicContact CD2-CB 4.46Å; L1371-Q1400 HydrophobicContact CD2-CG 4.16Å; L1371-V1408 HydrophobicContact CD1-CG1 3.75Å; L1371-A1411 HydrophobicContact CB-CB 3.68Å; L1371-A1411 HydrophobicContact CD1-CB 4.46Å; L1371-A1412 HydrophobicContact CD1-CB 4.24Å |
| 1372 | D | 94.6 | Very high | 92.2 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.214 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.1 | -75 | -39.9 | 0 | 0 | 0 | 111 | Q1368 G1375 S1376 A1411 | Q1368-D1372 PolarHBondContact O-N 2.89Å; D1372-G1375 PolarHBondContact O-N 3.43Å; D1372-S1376 PolarHBondContact O-N 3.33Å; D1372-A1411 VanDerWaalsContact OD1-CB 3.27Å; D1372-A1411 WeakPolarHBondContact OD1-CB 3.43Å |
| 1373 | E | 93.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.7 | -35.5 | 175.5 | -67.5 | -66.2 | 143.6 | 0 | 0 | 112.9 | R1336 L1339 L1355 E1369 G1375 S1376 L1377 | R1336-E1373 WeakPolarHBondContact CD-OE1 3.39Å; R1336-E1373 HydrophobicContact CG-CG 4.39Å; R1336-E1373 VanDerWaalsContact CG-OE1 3.25Å; R1336-E1373 WeakPolarHBondContact CG-OE1 3.46Å; L1339-E1373 HydrophobicContact CD1-CG 4.12Å; L1355-E1373 HydrophobicContact CD1-CB 4.27Å; L1355-E1373 HydrophobicContact CD2-CB 4.35Å; E1369-E1373 WeakPolarHBondContact O-CG 3.34Å; E1369-E1373 PolarHBondContact O-N 3.25Å; E1369-E1373 VanDerWaalsContact O-N 3.09Å; E1373-G1375 VanDerWaalsContact C-N 3.32Å; E1373-G1375 PolarHBondContact O-N 3.21Å; E1373-S1376 PolarHBondContact O-N 3.25Å; E1373-L1377 WeakPolarHBondContact O-CG 3.49Å; E1373-L1377 PolarHBondContact O-N 2.8Å |
| 1374 | M | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 170.7 | -75.5 | 167 | 71.8 | 0 | 0 | 111.6 | F1352 L1355 T1356 T1359 C1370 L1371 L1377 I1378 I1397 | F1352-M1374 HydrophobicContact CD2-CB 4.49Å; F1352-M1374 HydrophobicContact CD2-CG 4.25Å; F1352-M1374 HydrophobicContact CE1-CE 3.76Å; F1352-M1374 HydrophobicContact CE2-CB 3.82Å; F1352-M1374 HydrophobicContact CE2-CE 4.19Å; F1352-M1374 HydrophobicContact CE2-CG 3.91Å; F1352-M1374 HydrophobicContact CZ-CB 4.27Å; F1352-M1374 HydrophobicContact CZ-CE 3.53Å; F1352-M1374 HydrophobicContact CZ-CG 4.22Å; L1355-M1374 HydrophobicContact CB-CG 3.68Å; L1355-M1374 HydrophobicContact CB-SD 4.13Å; L1355-M1374 HydrophobicContact CD1-CG 4.42Å; T1356-M1374 HydrophobicContact CG2-CE 4.48Å; T1356-M1374 WeakPolarHBondContact OG1-CE 3.49Å; T1359-M1374 HydrophobicContact CG2-CE 4.33Å; T1359-M1374 HydrophobicContact CG2-SD 3.72Å; C1370-M1374 WeakPolarHBondContact O-CB 3.47Å; C1370-M1374 WeakPolarHBondContact O-CG 3.44Å; C1370-M1374 PolarHBondContact O-N 3.33Å; L1371-M1374 PolarHBondContact O-N 3.12Å; M1374-L1377 PolarHBondContact O-N 3.06Å; M1374-I1378 WeakPolarHBondContact O-CG1 3.47Å; M1374-I1378 PolarHBondContact O-N 2.82Å; M1374-I1397 HydrophobicContact CE-CD1 3.96Å; M1374-I1397 HydrophobicContact CE-CG1 3.77Å |
| 1375 | G | 94.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1371 D1372 E1373 L1377 I1378 D1379 | L1371-G1375 PolarHBondContact O-N 3.22Å; D1372-G1375 PolarHBondContact O-N 3.43Å; E1373-G1375 VanDerWaalsContact C-N 3.32Å; E1373-G1375 PolarHBondContact O-N 3.21Å; G1375-L1377 VanDerWaalsContact C-N 3.26Å; G1375-L1377 PolarHBondContact O-N 3.31Å; G1375-I1378 PolarHBondContact O-N 2.89Å; G1375-I1378 VanDerWaalsContact O-N 3.16Å; G1375-D1379 WeakPolarHBondContact O-CB 2.97Å; G1375-D1379 PolarHBondContact O-N 2.66Å |
| 1376 | S | 91.9 | Very high | 92 | Very high | 52 Ų | 52 | 32.9 Ų | 32.9 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.1 | -28.5 | 177.3 | -169.8 | 0 | 0 | 0 | 0 | 113.9 | D1372 E1373 R1380 | D1372-S1376 PolarHBondContact O-N 3.33Å; E1373-S1376 PolarHBondContact O-N 3.25Å; S1376-R1380 VanDerWaalsContact O-CB 3.27Å; S1376-R1380 WeakPolarHBondContact O-CB 3.26Å; S1376-R1380 PolarHBondContact O-N 3.41Å; S1376-R1380 VanDerWaalsContact O-N 3.15Å |
| 1377 | L | 92.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.5 | -39.7 | 173.6 | -73.8 | 179.9 | 0 | 0 | 0 | 112.4 | V1343 P1348 L1351 F1352 L1355 E1373 M1374 G1375 D1379 R1380 F1381 V1385 | V1343-L1377 HydrophobicContact CG2-CD2 3.79Å; P1348-L1377 HydrophobicContact CB-CD2 4.46Å; L1351-L1377 HydrophobicContact CD2-CD1 4.42Å; F1352-L1377 HydrophobicContact CB-CD1 4.3Å; F1352-L1377 HydrophobicContact CD2-CB 4.15Å; F1352-L1377 HydrophobicContact CD2-CD1 4.01Å; L1355-L1377 HydrophobicContact CD1-CD1 3.56Å; E1373-L1377 WeakPolarHBondContact O-CG 3.49Å; E1373-L1377 PolarHBondContact O-N 2.8Å; M1374-L1377 PolarHBondContact O-N 3.06Å; G1375-L1377 VanDerWaalsContact C-N 3.26Å; G1375-L1377 PolarHBondContact O-N 3.31Å; L1377-D1379 VanDerWaalsContact C-N 3.34Å; L1377-R1380 PolarHBondContact O-N 3.42Å; L1377-F1381 HydrophobicContact CD2-CD2 3.92Å; L1377-F1381 HydrophobicContact CD2-CE2 3.85Å; L1377-F1381 WeakPolarHBondContact O-CB 3.47Å; L1377-F1381 PolarHBondContact O-N 2.84Å; L1377-V1385 HydrophobicContact CB-CG1 4.27Å; L1377-V1385 HydrophobicContact CB-CG2 4.29Å |
| 1378 | I | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 174.6 | -68.7 | 165.3 | 0 | 0 | 0 | 110.4 | F1352 M1374 G1375 G1382 L1383 V1385 I1394 I1397 A1419 | F1352-I1378 HydrophobicContact CE2-CD1 4.1Å; F1352-I1378 HydrophobicContact CE2-CG1 3.97Å; F1352-I1378 HydrophobicContact CZ-CD1 4.2Å; F1352-I1378 HydrophobicContact CZ-CG1 4.44Å; M1374-I1378 WeakPolarHBondContact O-CG1 3.47Å; M1374-I1378 PolarHBondContact O-N 2.82Å; G1375-I1378 PolarHBondContact O-N 2.89Å; G1375-I1378 VanDerWaalsContact O-N 3.16Å; I1378-G1382 WeakPolarHBondContact O-CA 3.5Å; I1378-G1382 PolarHBondContact O-N 3.41Å; I1378-L1383 HydrophobicContact CG2-CD2 3.83Å; I1378-V1385 HydrophobicContact CG1-CG1 4.01Å; I1378-I1394 HydrophobicContact CD1-CD1 4.4Å; I1378-I1397 HydrophobicContact CD1-CD1 3.96Å; I1378-A1419 HydrophobicContact CG2-CB 4.31Å |
| 1379 | D | 89.8 | Confident | 90.5 | Very high | 115 Ų | 115 | 39.1 Ų | 39.1 | 62% | 0.615 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.8 | -44.2 | 177 | -162.1 | 72.1 | 0 | 0 | 0 | 111.8 | G1375 L1377 | G1375-D1379 WeakPolarHBondContact O-CB 2.97Å; G1375-D1379 PolarHBondContact O-N 2.66Å; L1377-D1379 VanDerWaalsContact C-N 3.34Å |
| 1380 | R | 90.2 | Very high | 90.3 | Very high | 150 Ų | 150 | 41.7 Ų | 41.7 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -83.2 | -28.9 | -176.2 | -170.7 | 173.3 | -177.9 | -163.6 | -2.4 | 115.2 | S1376 L1377 | S1376-R1380 VanDerWaalsContact O-CB 3.27Å; S1376-R1380 WeakPolarHBondContact O-CB 3.26Å; S1376-R1380 PolarHBondContact O-N 3.41Å; S1376-R1380 VanDerWaalsContact O-N 3.15Å; L1377-R1380 PolarHBondContact O-N 3.42Å |
| 1381 | F | 89.9 | Confident | 89.9 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -124.1 | 1.3 | -172.8 | -61.9 | -72.5 | 0 | 0 | 0 | 114.4 | V1343 P1348 L1377 V1385 | V1343-F1381 HydrophobicContact CG1-CE2 3.66Å; V1343-F1381 HydrophobicContact CG1-CZ 3.47Å; V1343-F1381 VanDerWaalsContact CG1-CZ 3.47Å; P1348-F1381 HydrophobicContact CB-CD2 4.03Å; P1348-F1381 HydrophobicContact CB-CE2 4.01Å; P1348-F1381 HydrophobicContact CB-CG 4.48Å; P1348-F1381 HydrophobicContact CB-CZ 4.44Å; P1348-F1381 HydrophobicContact CG-CD2 4.39Å; P1348-F1381 HydrophobicContact CG-CE1 4.27Å; P1348-F1381 HydrophobicContact CG-CE2 3.98Å; P1348-F1381 HydrophobicContact CG-CZ 3.92Å; L1377-F1381 HydrophobicContact CD2-CD2 3.92Å; L1377-F1381 HydrophobicContact CD2-CE2 3.85Å; L1377-F1381 WeakPolarHBondContact O-CB 3.47Å; L1377-F1381 PolarHBondContact O-N 2.84Å; F1381-V1385 HydrophobicContact CB-CB 4.26Å |
| 1382 | G | 89.9 | Confident | 89.5 | Confident | 18 Ų | 18 | 49 Ų | 49 | 19% | 0.186 | 26% | 0.264 | C | S | . | . | trans | 66.6 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1378 N1384 V1385 | I1378-G1382 WeakPolarHBondContact O-CA 3.5Å; I1378-G1382 PolarHBondContact O-N 3.41Å; G1382-N1384 PolarHBondContact O-N 3.07Å; G1382-N1384 VanDerWaalsContact O-N 3.08Å; G1382-V1385 WeakPolarHBondContact O-CG1 3.37Å; G1382-V1385 PolarHBondContact O-N 3.2Å | ||
| 1383 | L | 87.6 | Confident | 89.3 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -66.8 | -10.9 | -177 | -67 | 173.1 | 0 | 0 | 0 | 114.6 | I1378 V1385 C1386 I1390 I1394 A1419 V1422 I1423 | I1378-L1383 HydrophobicContact CG2-CD2 3.83Å; L1383-V1385 PolarHBondContact O-N 3.01Å; L1383-V1385 VanDerWaalsContact O-N 3.1Å; L1383-C1386 WeakPolarHBondContact O-CB 3.48Å; L1383-C1386 PolarHBondContact O-N 3.19Å; L1383-I1390 HydrophobicContact CB-CD1 3.91Å; L1383-I1390 HydrophobicContact CB-CG1 4.22Å; L1383-I1390 HydrophobicContact CB-CG2 4.09Å; L1383-I1390 HydrophobicContact CD1-CG2 4.04Å; L1383-I1390 HydrophobicContact CD2-CG2 4.27Å; L1383-I1390 HydrophobicContact CG-CG2 4.38Å; L1383-I1390 WeakPolarHBondContact O-CG1 3.43Å; L1383-I1394 HydrophobicContact CD2-CD1 3.89Å; L1383-I1394 HydrophobicContact CD2-CG1 4.36Å; L1383-A1419 HydrophobicContact CD2-CB 3.89Å; L1383-V1422 HydrophobicContact CD1-CB 4.43Å; L1383-V1422 HydrophobicContact CD1-CG1 4.27Å; L1383-V1422 HydrophobicContact CG-CB 4.36Å; L1383-V1422 HydrophobicContact CG-CG1 4.16Å; L1383-I1423 HydrophobicContact CD1-CB 4.29Å; L1383-I1423 HydrophobicContact CD1-CD1 3.76Å; L1383-I1423 HydrophobicContact CD1-CG1 3.87Å; L1383-I1423 HydrophobicContact CD1-CG2 3.5Å; L1383-I1423 VanDerWaalsContact CD1-CG2 3.5Å |
| 1384 | N | 85.5 | Confident | 89.3 | Confident | 108 Ų | 108 | 46.2 Ų | 46.2 | 58% | 0.578 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -60.7 | -20 | 175 | -67.9 | -33.6 | 0 | 0 | 0 | 113 | G1382 C1386 | G1382-N1384 PolarHBondContact O-N 3.07Å; G1382-N1384 VanDerWaalsContact O-N 3.08Å; N1384-C1386 VanDerWaalsContact C-N 3.29Å |
| 1385 | V | 90.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.3 | -22 | 174.1 | 83.6 | 0 | 0 | 0 | 0 | 113.1 | P1348 F1352 L1377 I1378 F1381 G1382 L1383 Q1387 | P1348-V1385 HydrophobicContact CB-CG2 3.93Å; P1348-V1385 WeakPolarHBondContact O-CG2 3.42Å; F1352-V1385 HydrophobicContact CB-CG2 4.11Å; F1352-V1385 WeakPolarHBondContact CB-O 3.22Å; F1352-V1385 HydrophobicContact CD2-CG1 3.74Å; F1352-V1385 HydrophobicContact CD2-CG2 4.23Å; F1352-V1385 HydrophobicContact CE2-CG1 3.96Å; F1352-V1385 HydrophobicContact CG-CG1 4.39Å; F1352-V1385 HydrophobicContact CG-CG2 4.43Å; F1352-V1385 WeakPolarHBondContact CG-O 3.48Å; L1377-V1385 HydrophobicContact CB-CG1 4.27Å; L1377-V1385 HydrophobicContact CB-CG2 4.29Å; I1378-V1385 HydrophobicContact CG1-CG1 4.01Å; F1381-V1385 HydrophobicContact CB-CB 4.26Å; G1382-V1385 WeakPolarHBondContact O-CG1 3.37Å; G1382-V1385 PolarHBondContact O-N 3.2Å; L1383-V1385 PolarHBondContact O-N 3.01Å; L1383-V1385 VanDerWaalsContact O-N 3.1Å; V1385-Q1387 PolarHBondContact O-N 2.97Å; V1385-Q1387 VanDerWaalsContact O-N 3.15Å |
| 1386 | C | 87.8 | Confident | 88.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -75.6 | 100.6 | -173.4 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | F1352 L1383 N1384 S1389 I1390 A1393 | F1352-C1386 HydrophobicContact CE1-CB 4.36Å; L1383-C1386 WeakPolarHBondContact O-CB 3.48Å; L1383-C1386 PolarHBondContact O-N 3.19Å; N1384-C1386 VanDerWaalsContact C-N 3.29Å; C1386-S1389 CarbonylContact O-C 3.58Å; C1386-I1390 HydrophobicContact CB-CB 4.46Å; C1386-I1390 HydrophobicContact CB-CG1 4.16Å; C1386-A1393 HydrophobicContact CB-CB 3.65Å | ||
| 1387 | Q | 84.8 | Confident | 89 | Confident | 76 Ų | 76 | 50 Ų | 50 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -112.8 | 149.6 | 179.2 | -67.9 | -62.6 | -45 | 0 | 0 | 111.7 | S1349 T1353 V1385 | S1349-Q1387 WeakPolarHBondContact O-CG 3.48Å; T1353-Q1387 HydrophobicContact CG2-CB 3.6Å; V1385-Q1387 PolarHBondContact O-N 2.97Å; V1385-Q1387 VanDerWaalsContact O-N 3.15Å |
| 1388 | P | 80.5 | Confident | 89 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 61% | 0.61 | 26% | 0.259 | S | S | * | . | S | Bend | cis | -78.8 | -12 | 4.5 | 33 | -37.2 | 0 | 0 | 0 | 114.5 | I1392 | P1388-I1392 HydrophobicContact CG-CD1 4.3Å; P1388-I1392 HydrophobicContact CG-CG2 4.32Å |
| 1389 | S | 85.3 | Confident | 88.9 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | trans | -157.2 | 156.8 | 167.2 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | C1386 I1392 A1393 | C1386-S1389 CarbonylContact O-C 3.58Å; S1389-I1392 PolarHBondContact O-N 3.22Å; S1389-I1392 WeakPolarHBondContact OG-CD1 3.4Å; S1389-I1392 WeakPolarHBondContact OG-CG1 3.4Å; S1389-A1393 WeakPolarHBondContact O-CB 3.47Å; S1389-A1393 PolarHBondContact O-N 3.17Å | ||
| 1390 | I | 88.5 | Confident | 89.1 | Confident | 56 Ų | 56 | 51 Ų | 51 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.7 | -49.8 | -178.7 | -56.4 | 171.3 | 0 | 0 | 0 | 111.7 | L1383 C1386 I1392 A1393 I1394 V1430 | L1383-I1390 HydrophobicContact CB-CD1 3.91Å; L1383-I1390 HydrophobicContact CB-CG1 4.22Å; L1383-I1390 HydrophobicContact CB-CG2 4.09Å; L1383-I1390 HydrophobicContact CD1-CG2 4.04Å; L1383-I1390 HydrophobicContact CD2-CG2 4.27Å; L1383-I1390 HydrophobicContact CG-CG2 4.38Å; L1383-I1390 WeakPolarHBondContact O-CG1 3.43Å; C1386-I1390 HydrophobicContact CB-CB 4.46Å; C1386-I1390 HydrophobicContact CB-CG1 4.16Å; I1390-I1392 PolarHBondContact O-N 2.71Å; I1390-A1393 PolarHBondContact O-N 2.75Å; I1390-I1394 HydrophobicContact CG2-CG1 4.07Å; I1390-I1394 WeakPolarHBondContact O-CB 3.16Å; I1390-I1394 VanDerWaalsContact O-CG1 3.28Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.41Å; I1390-I1394 PolarHBondContact O-N 3.11Å; I1390-V1430 HydrophobicContact CG2-CG1 4.05Å |
| 1391 | P | 87.4 | Confident | 89.2 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -37.1 | -179.7 | -21.7 | 34.9 | 0 | 0 | 0 | 113.5 | K1395 V1430 | P1391-K1395 WeakPolarHBondContact O-CB 3.36Å; P1391-K1395 PolarHBondContact O-N 2.87Å; P1391-V1430 HydrophobicContact CB-CG1 4.32Å; P1391-V1430 HydrophobicContact CG-CG1 4.4Å |
| 1392 | I | 86.8 | Confident | 89.2 | Confident | 88 Ų | 88 | 42.1 Ų | 42.1 | 45% | 0.451 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.7 | -47.1 | 178.9 | -67.3 | 173.7 | 0 | 0 | 0 | 110.2 | P1388 S1389 I1390 L1396 | P1388-I1392 HydrophobicContact CG-CD1 4.3Å; P1388-I1392 HydrophobicContact CG-CG2 4.32Å; S1389-I1392 PolarHBondContact O-N 3.22Å; S1389-I1392 WeakPolarHBondContact OG-CD1 3.4Å; S1389-I1392 WeakPolarHBondContact OG-CG1 3.4Å; I1390-I1392 PolarHBondContact O-N 2.71Å; I1392-L1396 HydrophobicContact CG2-CD1 4.02Å; I1392-L1396 WeakPolarHBondContact O-CB 3.27Å; I1392-L1396 VanDerWaalsContact O-CG 3.27Å; I1392-L1396 WeakPolarHBondContact O-CG 3.5Å; I1392-L1396 PolarHBondContact O-N 3.39Å |
| 1393 | A | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -49.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1352 C1386 S1389 I1390 K1395 L1396 I1397 | F1352-A1393 HydrophobicContact CE1-CB 3.85Å; F1352-A1393 HydrophobicContact CZ-CB 4.39Å; C1386-A1393 HydrophobicContact CB-CB 3.65Å; S1389-A1393 WeakPolarHBondContact O-CB 3.47Å; S1389-A1393 PolarHBondContact O-N 3.17Å; I1390-A1393 PolarHBondContact O-N 2.75Å; A1393-K1395 VanDerWaalsContact C-N 3.34Å; A1393-K1395 PolarHBondContact O-N 2.96Å; A1393-L1396 PolarHBondContact O-N 2.86Å; A1393-I1397 WeakPolarHBondContact O-CG1 3.41Å; A1393-I1397 PolarHBondContact O-N 2.97Å |
| 1394 | I | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | -179.7 | -68.7 | -61.2 | 0 | 0 | 0 | 111.3 | I1378 L1383 I1390 I1397 A1398 L1416 A1419 I1427 V1430 I1431 | I1378-I1394 HydrophobicContact CD1-CD1 4.4Å; L1383-I1394 HydrophobicContact CD2-CD1 3.89Å; L1383-I1394 HydrophobicContact CD2-CG1 4.36Å; I1390-I1394 HydrophobicContact CG2-CG1 4.07Å; I1390-I1394 WeakPolarHBondContact O-CB 3.16Å; I1390-I1394 VanDerWaalsContact O-CG1 3.28Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.41Å; I1390-I1394 PolarHBondContact O-N 3.11Å; I1394-I1397 HydrophobicContact CD1-CD1 4.39Å; I1394-I1397 PolarHBondContact O-N 3.13Å; I1394-A1398 WeakPolarHBondContact O-CB 3.25Å; I1394-A1398 PolarHBondContact O-N 3.12Å; I1394-L1416 HydrophobicContact CD1-CD2 4.41Å; I1394-L1416 HydrophobicContact CG2-CD2 3.88Å; I1394-A1419 HydrophobicContact CD1-CB 3.52Å; I1394-I1427 HydrophobicContact CG2-CD1 3.93Å; I1394-V1430 HydrophobicContact CB-CG1 3.86Å; I1394-V1430 HydrophobicContact CG1-CG1 4.01Å; I1394-V1430 HydrophobicContact CG2-CG1 3.88Å; I1394-I1431 HydrophobicContact CG2-CG1 3.57Å |
| 1395 | K | 90.7 | Very high | 89.8 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 174.9 | -173.2 | 162.9 | -173.8 | 154.8 | 0 | 113 | P1391 A1393 I1397 A1398 Q1399 | P1391-K1395 WeakPolarHBondContact O-CB 3.36Å; P1391-K1395 PolarHBondContact O-N 2.87Å; A1393-K1395 VanDerWaalsContact C-N 3.34Å; A1393-K1395 PolarHBondContact O-N 2.96Å; K1395-I1397 VanDerWaalsContact C-N 3.34Å; K1395-A1398 PolarHBondContact O-N 3.48Å; K1395-Q1399 WeakPolarHBondContact O-CG 3.34Å; K1395-Q1399 PolarHBondContact O-N 3.15Å; K1395-Q1399 VanDerWaalsContact O-N 3.08Å |
| 1396 | L | 90.4 | Very high | 89.9 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 174.1 | -74.1 | 168.1 | 0 | 0 | 0 | 112.5 | T1356 I1392 A1393 | T1356-L1396 HydrophobicContact CG2-CD1 3.75Å; I1392-L1396 HydrophobicContact CG2-CD1 4.02Å; I1392-L1396 WeakPolarHBondContact O-CB 3.27Å; I1392-L1396 VanDerWaalsContact O-CG 3.27Å; I1392-L1396 WeakPolarHBondContact O-CG 3.5Å; I1392-L1396 PolarHBondContact O-N 3.39Å; A1393-L1396 PolarHBondContact O-N 2.86Å |
| 1397 | I | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70 | -44.2 | 172.1 | -61.2 | 167 | 0 | 0 | 0 | 110.2 | F1352 L1371 M1374 I1378 A1393 I1394 K1395 Q1399 Q1400 A1412 A1415 L1416 | F1352-I1397 HydrophobicContact CZ-CD1 4.44Å; L1371-I1397 HydrophobicContact CD2-CB 4.46Å; L1371-I1397 HydrophobicContact CD2-CG1 4.26Å; L1371-I1397 HydrophobicContact CD2-CG2 4.04Å; M1374-I1397 HydrophobicContact CE-CD1 3.96Å; M1374-I1397 HydrophobicContact CE-CG1 3.77Å; I1378-I1397 HydrophobicContact CD1-CD1 3.96Å; A1393-I1397 WeakPolarHBondContact O-CG1 3.41Å; A1393-I1397 PolarHBondContact O-N 2.97Å; I1394-I1397 HydrophobicContact CD1-CD1 4.39Å; I1394-I1397 PolarHBondContact O-N 3.13Å; K1395-I1397 VanDerWaalsContact C-N 3.34Å; I1397-Q1399 VanDerWaalsContact C-N 3.32Å; I1397-Q1399 PolarHBondContact O-N 2.93Å; I1397-Q1400 WeakPolarHBondContact O-CB 3.5Å; I1397-Q1400 PolarHBondContact O-N 3.23Å; I1397-A1412 HydrophobicContact CG2-CB 4.48Å; I1397-A1415 HydrophobicContact CD1-CB 4.43Å; I1397-A1415 HydrophobicContact CG2-CB 3.91Å; I1397-L1416 HydrophobicContact CB-CD2 4.22Å; I1397-L1416 HydrophobicContact CB-CG 4.41Å; I1397-L1416 HydrophobicContact CG2-CD1 4.08Å; I1397-L1416 HydrophobicContact CG2-CD2 3.99Å; I1397-L1416 HydrophobicContact CG2-CG 3.66Å |
| 1398 | A | 92.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1394 K1395 Q1400 I1401 L1416 I1431 I1434 | I1394-A1398 WeakPolarHBondContact O-CB 3.25Å; I1394-A1398 PolarHBondContact O-N 3.12Å; K1395-A1398 PolarHBondContact O-N 3.48Å; A1398-Q1400 PolarHBondContact O-N 2.66Å; A1398-I1401 WeakPolarHBondContact O-CB 3.21Å; A1398-I1401 WeakPolarHBondContact O-CG1 3.48Å; A1398-I1401 PolarHBondContact O-N 3.09Å; A1398-L1416 HydrophobicContact CB-CD1 4.25Å; A1398-I1431 HydrophobicContact CB-CG1 4.35Å; A1398-I1431 HydrophobicContact CB-CG2 3.88Å; A1398-I1434 HydrophobicContact CB-CD1 4.28Å |
| 1399 | Q | 91.5 | Very high | 91.3 | Very high | 115 Ų | 115 | 51.5 Ų | 51.5 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -58.3 | -19.7 | 175.4 | -74.5 | 171.6 | -11.3 | 0 | 0 | 114.2 | K1395 I1397 I1401 | K1395-Q1399 WeakPolarHBondContact O-CG 3.34Å; K1395-Q1399 PolarHBondContact O-N 3.15Å; K1395-Q1399 VanDerWaalsContact O-N 3.08Å; I1397-Q1399 VanDerWaalsContact C-N 3.32Å; I1397-Q1399 PolarHBondContact O-N 2.93Å; Q1399-I1401 VanDerWaalsContact C-N 3.34Å |
| 1400 | Q | 94.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -83.9 | -7.7 | 178.2 | -54.6 | -72.1 | -34.8 | 0 | 0 | 112.8 | T1359 L1371 I1397 A1398 G1402 D1403 V1408 A1412 | T1359-Q1400 PolarHBondContact O-NE2 2.71Å; L1371-Q1400 HydrophobicContact CD1-CB 3.82Å; L1371-Q1400 HydrophobicContact CD1-CG 3.96Å; L1371-Q1400 HydrophobicContact CD2-CB 4.46Å; L1371-Q1400 HydrophobicContact CD2-CG 4.16Å; I1397-Q1400 WeakPolarHBondContact O-CB 3.5Å; I1397-Q1400 PolarHBondContact O-N 3.23Å; A1398-Q1400 PolarHBondContact O-N 2.66Å; Q1400-G1402 PolarHBondContact O-N 3.12Å; Q1400-D1403 PolarHBondContact O-N 2.95Å; Q1400-V1408 HydrophobicContact CB-CG1 4.15Å; Q1400-A1412 HydrophobicContact CB-CB 3.72Å |
| 1401 | I | 93.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -65.7 | -23.9 | 169.4 | -58.9 | 166 | 0 | 0 | 0 | 111 | A1398 Q1399 R1409 A1412 L1413 L1416 I1434 E1438 M1441 L1442 | A1398-I1401 WeakPolarHBondContact O-CB 3.21Å; A1398-I1401 WeakPolarHBondContact O-CG1 3.48Å; A1398-I1401 PolarHBondContact O-N 3.09Å; Q1399-I1401 VanDerWaalsContact C-N 3.34Å; I1401-R1409 WeakPolarHBondContact O-CD 3.09Å; I1401-R1409 WeakPolarHBondContact O-CG 3.22Å; I1401-A1412 HydrophobicContact CG1-CB 4.22Å; I1401-L1413 HydrophobicContact CD1-CD2 3.98Å; I1401-L1413 HydrophobicContact CG1-CD2 3.96Å; I1401-L1413 HydrophobicContact CG1-CG 4.29Å; I1401-L1413 HydrophobicContact CG2-CD2 4.23Å; I1401-L1416 HydrophobicContact CD1-CD1 3.53Å; I1401-L1416 HydrophobicContact CG1-CD1 4.08Å; I1401-I1434 HydrophobicContact CD1-CD1 3.99Å; I1401-E1438 HydrophobicContact CB-CB 4.24Å; I1401-E1438 HydrophobicContact CB-CG 4.44Å; I1401-E1438 HydrophobicContact CG2-CB 3.72Å; I1401-E1438 HydrophobicContact CG2-CG 3.96Å; I1401-M1441 HydrophobicContact CG2-CE 3.68Å; I1401-L1442 HydrophobicContact CD1-CB 4.47Å; I1401-L1442 HydrophobicContact CD1-CD2 4.49Å |
| 1402 | G | 89.6 | Confident | 92.6 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -83.1 | -2.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q1400 E1438 | Q1400-G1402 PolarHBondContact O-N 3.12Å; G1402-E1438 VanDerWaalsContact CA-OE1 3.3Å; G1402-E1438 WeakPolarHBondContact CA-OE1 3.28Å |
| 1403 | D | 93.3 | Very high | 93 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | trans | -62.7 | 147.7 | -175.7 | -160.3 | -50.6 | 0 | 0 | 0 | 111.9 | R1367 Q1400 D1405 V1408 R1409 | R1367-D1403 IonicContact CZ-OD2 3.11Å; R1367-D1403 IonicContact NE-OD2 3.07Å; R1367-D1403 PolarHBondContact NE-OD2 2.78Å; R1367-D1403 IonicContact NH2-OD1 2.67Å; R1367-D1403 PolarHBondContact NH2-OD1 2.68Å; R1367-D1403 IonicContact NH2-OD2 2.73Å; R1367-D1403 PolarHBondContact NH2-OD2 2.94Å; Q1400-D1403 PolarHBondContact O-N 2.95Å; D1403-D1405 VanDerWaalsContact C-N 3.28Å; D1403-D1405 PolarHBondContact O-N 3.1Å; D1403-D1405 PolarHBondContact OD1-N 2.75Å; D1403-V1408 HydrophobicContact CB-CB 3.96Å; D1403-V1408 HydrophobicContact CB-CG1 3.68Å; D1403-V1408 WeakPolarHBondContact OD2-CG1 3.27Å; D1403-R1409 HydrophobicContact CB-CG 4.22Å; D1403-R1409 WeakPolarHBondContact O-CD 3.32Å; D1403-R1409 VanDerWaalsContact O-CG 3.29Å; D1403-R1409 WeakPolarHBondContact O-CG 3.37Å; D1403-R1409 PolarHBondContact O-NE 2.66Å | ||
| 1404 | R | 88.9 | Confident | 93.2 | Very high | 243 Ų | 243 | 45.6 Ų | 45.6 | 92% | 0.917 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -64.8 | -37.8 | 175.4 | -61.4 | -178.6 | -179.5 | -172.9 | -0.7 | 110.8 | R1409 | R1404-R1409 PolarHBondContact O-NH2 3.01Š|
| 1405 | D | 93.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -70.4 | 126.1 | -179.8 | -170.4 | -64.2 | 0 | 0 | 0 | 111.6 | S1364 D1403 G1407 V1408 R1409 | S1364-D1405 WeakPolarHBondContact CB-OD2 3.43Å; S1364-D1405 PolarHBondContact OG-OD2 2.84Å; D1403-D1405 VanDerWaalsContact C-N 3.28Å; D1403-D1405 PolarHBondContact O-N 3.1Å; D1403-D1405 PolarHBondContact OD1-N 2.75Å; D1405-G1407 VanDerWaalsContact OD1-CA 3.28Å; D1405-G1407 WeakPolarHBondContact OD1-CA 3.44Å; D1405-G1407 PolarHBondContact OD1-N 3.43Å; D1405-V1408 HydrophobicContact CB-CB 4.14Å; D1405-V1408 HydrophobicContact CB-CG2 3.8Å; D1405-V1408 PolarHBondContact OD1-N 3.38Å; D1405-V1408 VanDerWaalsContact OD1-N 3.09Å; D1405-R1409 WeakPolarHBondContact O-CG 3.4Å; D1405-R1409 PolarHBondContact O-N 2.83Å |
| 1406 | S | 92.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 62% | 0.615 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -73.9 | -24.3 | -178.6 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | S1410 | S1406-S1410 VanDerWaalsContact O-CB 3.31Å; S1406-S1410 WeakPolarHBondContact O-CB 3.28Å; S1406-S1410 PolarHBondContact O-N 2.63Å |
| 1407 | G | 92.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.4 | -48.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1405 R1409 S1410 A1411 | D1405-G1407 VanDerWaalsContact OD1-CA 3.28Å; D1405-G1407 WeakPolarHBondContact OD1-CA 3.44Å; D1405-G1407 PolarHBondContact OD1-N 3.43Å; G1407-R1409 PolarHBondContact O-N 2.69Å; G1407-S1410 PolarHBondContact O-N 2.78Å; G1407-A1411 PolarHBondContact O-N 2.92Å |
| 1408 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 176 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | S1364 R1367 Q1368 L1371 Q1400 D1403 D1405 S1410 A1411 A1412 | S1364-V1408 WeakPolarHBondContact O-CG2 3.46Å; R1367-V1408 HydrophobicContact CB-CG1 4.19Å; R1367-V1408 HydrophobicContact CB-CG2 4.01Å; Q1368-V1408 HydrophobicContact CB-CG2 4.15Å; L1371-V1408 HydrophobicContact CD1-CG1 3.75Å; Q1400-V1408 HydrophobicContact CB-CG1 4.15Å; D1403-V1408 HydrophobicContact CB-CB 3.96Å; D1403-V1408 HydrophobicContact CB-CG1 3.68Å; D1403-V1408 WeakPolarHBondContact OD2-CG1 3.27Å; D1405-V1408 HydrophobicContact CB-CB 4.14Å; D1405-V1408 HydrophobicContact CB-CG2 3.8Å; D1405-V1408 PolarHBondContact OD1-N 3.38Å; D1405-V1408 VanDerWaalsContact OD1-N 3.09Å; V1408-S1410 VanDerWaalsContact C-N 3.32Å; V1408-S1410 PolarHBondContact O-N 3.09Å; V1408-A1411 PolarHBondContact O-N 2.76Å; V1408-A1412 WeakPolarHBondContact O-CB 3.14Å; V1408-A1412 PolarHBondContact O-N 2.94Å |
| 1409 | R | 94.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 30% | 0.302 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.3 | -72.9 | -171.2 | -83 | 139.9 | -6.4 | 112.9 | I1401 D1403 R1404 D1405 G1407 A1412 L1413 | I1401-R1409 WeakPolarHBondContact O-CD 3.09Å; I1401-R1409 WeakPolarHBondContact O-CG 3.22Å; D1403-R1409 HydrophobicContact CB-CG 4.22Å; D1403-R1409 WeakPolarHBondContact O-CD 3.32Å; D1403-R1409 VanDerWaalsContact O-CG 3.29Å; D1403-R1409 WeakPolarHBondContact O-CG 3.37Å; D1403-R1409 PolarHBondContact O-NE 2.66Å; R1404-R1409 PolarHBondContact O-NH2 3.01Å; D1405-R1409 WeakPolarHBondContact O-CG 3.4Å; D1405-R1409 PolarHBondContact O-N 2.83Å; G1407-R1409 PolarHBondContact O-N 2.69Å; R1409-A1412 PolarHBondContact O-N 3.48Å; R1409-L1413 WeakPolarHBondContact O-CB 3.35Å; R1409-L1413 VanDerWaalsContact O-CG 3.24Å; R1409-L1413 WeakPolarHBondContact O-CG 3.39Å; R1409-L1413 PolarHBondContact O-N 3.15Å |
| 1410 | S | 95.2 | Very high | 93.3 | Very high | 50 Ų | 50 | 36.5 Ų | 36.5 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.1 | -39 | 179.6 | -161.7 | 0 | 0 | 0 | 0 | 112.2 | S1406 G1407 V1408 L1413 N1414 R1445 | S1406-S1410 VanDerWaalsContact O-CB 3.31Å; S1406-S1410 WeakPolarHBondContact O-CB 3.28Å; S1406-S1410 PolarHBondContact O-N 2.63Å; G1407-S1410 PolarHBondContact O-N 2.78Å; V1408-S1410 VanDerWaalsContact C-N 3.32Å; V1408-S1410 PolarHBondContact O-N 3.09Å; S1410-L1413 PolarHBondContact O-N 3.35Å; S1410-N1414 PolarHBondContact O-N 2.89Å; S1410-N1414 PolarHBondContact O-ND2 3.31Å; S1410-N1414 PolarHBondContact O-OD1 3.08Å; S1410-R1445 PolarHBondContact O-NH2 2.9Å; S1410-R1445 PolarHBondContact OG-NH2 3.38Å |
| 1411 | A | 96 | Very high | 93 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1368 L1371 D1372 G1407 V1408 L1413 N1414 A1415 | Q1368-A1411 HydrophobicContact CG-CB 3.92Å; L1371-A1411 HydrophobicContact CB-CB 3.68Å; L1371-A1411 HydrophobicContact CD1-CB 4.46Å; D1372-A1411 VanDerWaalsContact OD1-CB 3.27Å; D1372-A1411 WeakPolarHBondContact OD1-CB 3.43Å; G1407-A1411 PolarHBondContact O-N 2.92Å; V1408-A1411 PolarHBondContact O-N 2.76Å; A1411-L1413 VanDerWaalsContact C-N 3.35Å; A1411-L1413 PolarHBondContact O-N 3.49Å; A1411-N1414 WeakPolarHBondContact O-CB 3.27Å; A1411-N1414 PolarHBondContact O-N 3.17Å; A1411-N1414 VanDerWaalsContact O-N 3.14Å; A1411-A1415 PolarHBondContact O-N 2.88Å |
| 1412 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1371 I1397 Q1400 I1401 V1408 R1409 N1414 A1415 L1416 | L1371-A1412 HydrophobicContact CD1-CB 4.24Å; I1397-A1412 HydrophobicContact CG2-CB 4.48Å; Q1400-A1412 HydrophobicContact CB-CB 3.72Å; I1401-A1412 HydrophobicContact CG1-CB 4.22Å; V1408-A1412 WeakPolarHBondContact O-CB 3.14Å; V1408-A1412 PolarHBondContact O-N 2.94Å; R1409-A1412 PolarHBondContact O-N 3.48Å; A1412-N1414 VanDerWaalsContact C-N 3.33Å; A1412-N1414 PolarHBondContact O-N 3.1Å; A1412-A1415 PolarHBondContact O-N 3.05Å; A1412-L1416 WeakPolarHBondContact O-CD1 3.34Å; A1412-L1416 WeakPolarHBondContact O-CG 3.36Å; A1412-L1416 PolarHBondContact O-N 3.27Å |
| 1413 | L | 95.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -31.8 | 175.8 | -70.7 | 170.9 | 0 | 0 | 0 | 113 | I1401 R1409 S1410 A1411 L1417 L1442 R1445 | I1401-L1413 HydrophobicContact CD1-CD2 3.98Å; I1401-L1413 HydrophobicContact CG1-CD2 3.96Å; I1401-L1413 HydrophobicContact CG1-CG 4.29Å; I1401-L1413 HydrophobicContact CG2-CD2 4.23Å; R1409-L1413 WeakPolarHBondContact O-CB 3.35Å; R1409-L1413 VanDerWaalsContact O-CG 3.24Å; R1409-L1413 WeakPolarHBondContact O-CG 3.39Å; R1409-L1413 PolarHBondContact O-N 3.15Å; S1410-L1413 PolarHBondContact O-N 3.35Å; A1411-L1413 VanDerWaalsContact C-N 3.35Å; A1411-L1413 PolarHBondContact O-N 3.49Å; L1413-L1417 WeakPolarHBondContact O-CB 3.45Å; L1413-L1417 PolarHBondContact O-N 2.88Å; L1413-L1417 VanDerWaalsContact O-N 3.15Å; L1413-L1442 HydrophobicContact CD2-CB 3.95Å; L1413-L1442 HydrophobicContact CD2-CD1 3.92Å; L1413-R1445 HydrophobicContact CB-CG 4.21Å |
| 1414 | N | 94.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.7 | -48.9 | 172.4 | -69.1 | -22.4 | 0 | 0 | 0 | 111.4 | S1410 A1411 A1412 L1416 L1417 S1418 R1445 | S1410-N1414 PolarHBondContact O-N 2.89Å; S1410-N1414 PolarHBondContact O-ND2 3.31Å; S1410-N1414 PolarHBondContact O-OD1 3.08Å; A1411-N1414 WeakPolarHBondContact O-CB 3.27Å; A1411-N1414 PolarHBondContact O-N 3.17Å; A1411-N1414 VanDerWaalsContact O-N 3.14Å; A1412-N1414 VanDerWaalsContact C-N 3.33Å; A1412-N1414 PolarHBondContact O-N 3.1Å; N1414-L1416 VanDerWaalsContact C-N 3.31Å; N1414-L1416 PolarHBondContact O-N 3.32Å; N1414-L1417 WeakPolarHBondContact O-CB 3.36Å; N1414-L1417 PolarHBondContact O-N 3.4Å; N1414-L1417 VanDerWaalsContact O-N 3.09Å; N1414-S1418 PolarHBondContact O-N 3.27Å; N1414-R1445 VanDerWaalsContact OD1-CZ 3.23Å; N1414-R1445 PolarHBondContact OD1-NH1 3.16Å; N1414-R1445 PolarHBondContact OD1-NH2 2.86Å |
| 1415 | A | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -35.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1397 A1411 A1412 S1418 A1419 | I1397-A1415 HydrophobicContact CD1-CB 4.43Å; I1397-A1415 HydrophobicContact CG2-CB 3.91Å; A1411-A1415 PolarHBondContact O-N 2.88Å; A1412-A1415 PolarHBondContact O-N 3.05Å; A1415-S1418 PolarHBondContact O-N 2.92Å; A1415-A1419 PolarHBondContact O-N 3.44Å |
| 1416 | L | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.5 | -28.1 | 173.3 | -67.1 | 163.3 | 0 | 0 | 0 | 112.9 | I1394 I1397 A1398 I1401 A1412 N1414 A1419 Y1420 I1431 L1442 | I1394-L1416 HydrophobicContact CD1-CD2 4.41Å; I1394-L1416 HydrophobicContact CG2-CD2 3.88Å; I1397-L1416 HydrophobicContact CB-CD2 4.22Å; I1397-L1416 HydrophobicContact CB-CG 4.41Å; I1397-L1416 HydrophobicContact CG2-CD1 4.08Å; I1397-L1416 HydrophobicContact CG2-CD2 3.99Å; I1397-L1416 HydrophobicContact CG2-CG 3.66Å; A1398-L1416 HydrophobicContact CB-CD1 4.25Å; I1401-L1416 HydrophobicContact CD1-CD1 3.53Å; I1401-L1416 HydrophobicContact CG1-CD1 4.08Å; A1412-L1416 WeakPolarHBondContact O-CD1 3.34Å; A1412-L1416 WeakPolarHBondContact O-CG 3.36Å; A1412-L1416 PolarHBondContact O-N 3.27Å; N1414-L1416 VanDerWaalsContact C-N 3.31Å; N1414-L1416 PolarHBondContact O-N 3.32Å; L1416-A1419 PolarHBondContact O-N 3.26Å; L1416-Y1420 WeakPolarHBondContact O-CB 3.5Å; L1416-Y1420 PolarHBondContact O-N 3Å; L1416-I1431 HydrophobicContact CD2-CD1 4.37Å; L1416-L1442 HydrophobicContact CB-CD1 3.93Å; L1416-L1442 HydrophobicContact CB-CD2 4.42Å; L1416-L1442 HydrophobicContact CD1-CD2 4.3Å |
| 1417 | L | 91.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 31 Ų | 31 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | 171.1 | -179.6 | 66.8 | 0 | 0 | 0 | 111.2 | L1413 N1414 A1419 Y1420 A1421 I1446 A1449 | L1413-L1417 WeakPolarHBondContact O-CB 3.45Å; L1413-L1417 PolarHBondContact O-N 2.88Å; L1413-L1417 VanDerWaalsContact O-N 3.15Å; N1414-L1417 WeakPolarHBondContact O-CB 3.36Å; N1414-L1417 PolarHBondContact O-N 3.4Å; N1414-L1417 VanDerWaalsContact O-N 3.09Å; L1417-A1419 VanDerWaalsContact C-N 3.3Å; L1417-A1419 PolarHBondContact O-N 2.95Å; L1417-Y1420 PolarHBondContact O-N 3.01Å; L1417-A1421 PolarHBondContact O-N 3.41Å; L1417-I1446 HydrophobicContact CD1-CG1 4.11Å; L1417-A1449 HydrophobicContact CD1-CB 3.54Å; L1417-A1449 HydrophobicContact CD2-CB 3.56Å; L1417-A1449 HydrophobicContact CG-CB 4.16Å |
| 1418 | S | 91.6 | Very high | 91.3 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | 170.4 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | N1414 A1415 A1421 V1422 | N1414-S1418 PolarHBondContact O-N 3.27Å; A1415-S1418 PolarHBondContact O-N 2.92Å; S1418-A1421 PolarHBondContact O-N 3.14Å; S1418-V1422 WeakPolarHBondContact O-CG2 3.29Å |
| 1419 | A | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | I1378 L1383 I1394 A1415 L1416 L1417 A1421 V1422 I1423 I1427 | I1378-A1419 HydrophobicContact CG2-CB 4.31Å; L1383-A1419 HydrophobicContact CD2-CB 3.89Å; I1394-A1419 HydrophobicContact CD1-CB 3.52Å; A1415-A1419 PolarHBondContact O-N 3.44Å; L1416-A1419 PolarHBondContact O-N 3.26Å; L1417-A1419 VanDerWaalsContact C-N 3.3Å; L1417-A1419 PolarHBondContact O-N 2.95Å; A1419-A1421 VanDerWaalsContact C-N 3.33Å; A1419-A1421 PolarHBondContact O-N 2.95Å; A1419-V1422 PolarHBondContact O-N 2.95Å; A1419-V1422 VanDerWaalsContact O-N 3.14Å; A1419-I1423 WeakPolarHBondContact O-CG1 3.35Å; A1419-I1423 PolarHBondContact O-N 3.02Å; A1419-I1427 HydrophobicContact CB-CD1 3.68Å |
| 1420 | Y | 89.9 | Confident | 90.4 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -36.1 | 176.5 | 178.2 | -97.1 | 0 | 0 | 0 | 112.3 | L1416 L1417 V1422 I1423 G1424 E1425 I1427 I1446 P1453 | L1416-Y1420 WeakPolarHBondContact O-CB 3.5Å; L1416-Y1420 PolarHBondContact O-N 3Å; L1417-Y1420 PolarHBondContact O-N 3.01Å; Y1420-V1422 PolarHBondContact O-N 3.21Å; Y1420-I1423 PolarHBondContact O-N 3.44Å; Y1420-G1424 VanDerWaalsContact CD2-C 3.46Å; Y1420-G1424 VanDerWaalsContact CD2-O 3.24Å; Y1420-G1424 WeakPolarHBondContact CD2-O 3.18Å; Y1420-G1424 VanDerWaalsContact O-CA 3.26Å; Y1420-G1424 WeakPolarHBondContact O-CA 3.5Å; Y1420-G1424 PolarHBondContact O-N 3.4Å; Y1420-E1425 WeakPolarHBondContact CE2-OE1 3.18Å; Y1420-E1425 PolarHBondContact OH-OE1 3.34Å; Y1420-I1427 HydrophobicContact CD2-CB 4.29Å; Y1420-I1427 HydrophobicContact CD2-CG2 3.69Å; Y1420-I1427 HydrophobicContact CE2-CG2 4.42Å; Y1420-I1446 HydrophobicContact CD1-CD1 4.39Å; Y1420-I1446 HydrophobicContact CD1-CG1 4.25Å; Y1420-I1446 HydrophobicContact CD1-CG2 3.87Å; Y1420-I1446 HydrophobicContact CD2-CD1 3.89Å; Y1420-I1446 HydrophobicContact CE1-CG2 3.45Å; Y1420-I1446 VanDerWaalsContact CE1-CG2 3.45Å; Y1420-I1446 HydrophobicContact CE2-CD1 4.22Å; Y1420-I1446 HydrophobicContact CE2-CG2 4.33Å; Y1420-I1446 HydrophobicContact CG-CD1 3.96Å; Y1420-I1446 HydrophobicContact CG-CG1 4.23Å; Y1420-I1446 HydrophobicContact CG-CG2 4.47Å; Y1420-P1453 HydrophobicContact CE1-CG 4.29Å |
| 1421 | A | 87.9 | Confident | 90 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 16% | 0.157 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -28.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L1417 S1418 A1419 Q1451 | L1417-A1421 PolarHBondContact O-N 3.41Å; S1418-A1421 PolarHBondContact O-N 3.14Å; A1419-A1421 VanDerWaalsContact C-N 3.33Å; A1419-A1421 PolarHBondContact O-N 2.95Å; A1421-Q1451 HydrophobicContact CB-CG 4.34Å |
| 1422 | V | 86.4 | Confident | 89.5 | Confident | 55 Ų | 55 | 38.9 Ų | 38.9 | 33% | 0.333 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -88.4 | -32.1 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 113.5 | L1383 S1418 A1419 Y1420 | L1383-V1422 HydrophobicContact CD1-CB 4.43Å; L1383-V1422 HydrophobicContact CD1-CG1 4.27Å; L1383-V1422 HydrophobicContact CG-CB 4.36Å; L1383-V1422 HydrophobicContact CG-CG1 4.16Å; S1418-V1422 WeakPolarHBondContact O-CG2 3.29Å; A1419-V1422 PolarHBondContact O-N 2.95Å; A1419-V1422 VanDerWaalsContact O-N 3.14Å; Y1420-V1422 PolarHBondContact O-N 3.21Å |
| 1423 | I | 87.2 | Confident | 88.8 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -130.2 | -1.3 | -175.3 | 60.2 | 167.4 | 0 | 0 | 0 | 116.2 | L1383 A1419 Y1420 Q1426 I1427 V1430 | L1383-I1423 HydrophobicContact CD1-CB 4.29Å; L1383-I1423 HydrophobicContact CD1-CD1 3.76Å; L1383-I1423 HydrophobicContact CD1-CG1 3.87Å; L1383-I1423 HydrophobicContact CD1-CG2 3.5Å; L1383-I1423 VanDerWaalsContact CD1-CG2 3.5Å; A1419-I1423 WeakPolarHBondContact O-CG1 3.35Å; A1419-I1423 PolarHBondContact O-N 3.02Å; Y1420-I1423 PolarHBondContact O-N 3.44Å; I1423-Q1426 HydrophobicContact CB-CB 4.22Å; I1423-Q1426 HydrophobicContact CD1-CB 4.2Å; I1423-Q1426 HydrophobicContact CG1-CB 4.46Å; I1423-Q1426 WeakPolarHBondContact O-CB 3.19Å; I1423-Q1426 PolarHBondContact O-N 2.9Å; I1423-I1427 HydrophobicContact CD1-CB 4.42Å; I1423-I1427 HydrophobicContact CD1-CD1 4Å; I1423-I1427 HydrophobicContact CG1-CD1 4.38Å; I1423-V1430 HydrophobicContact CD1-CB 4.38Å; I1423-V1430 HydrophobicContact CD1-CG2 3.91Å |
| 1424 | G | 87.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -137.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1420 Q1426 I1427 | Y1420-G1424 VanDerWaalsContact CD2-C 3.46Å; Y1420-G1424 VanDerWaalsContact CD2-O 3.24Å; Y1420-G1424 WeakPolarHBondContact CD2-O 3.18Å; Y1420-G1424 VanDerWaalsContact O-CA 3.26Å; Y1420-G1424 WeakPolarHBondContact O-CA 3.5Å; Y1420-G1424 PolarHBondContact O-N 3.4Å; G1424-Q1426 PolarHBondContact O-N 3.28Å; G1424-I1427 WeakPolarHBondContact O-CB 2.99Å; G1424-I1427 WeakPolarHBondContact O-CG2 3.3Å; G1424-I1427 PolarHBondContact O-N 3.05Å |
| 1425 | E | 86.3 | Confident | 88 | Confident | 117 Ų | 117 | 47.3 Ų | 47.3 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -14.5 | -177.4 | -59.5 | -51.9 | 138.5 | 0 | 0 | 114.7 | Y1420 I1427 W1428 | Y1420-E1425 WeakPolarHBondContact CE2-OE1 3.18Å; Y1420-E1425 PolarHBondContact OH-OE1 3.34Å; E1425-I1427 PolarHBondContact O-N 3.34Å; E1425-W1428 VanDerWaalsContact O-CD1 3.28Å; E1425-W1428 PolarHBondContact O-N 3.49Å; E1425-W1428 VanDerWaalsContact OE2-CD1 3.24Å; E1425-W1428 PolarHBondContact OE2-NE1 2.92Å |
| 1426 | Q | 85.6 | Confident | 87.6 | Confident | 131 Ų | 131 | 53.6 Ų | 53.6 | 61% | 0.612 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.5 | -18.9 | 170.6 | -56.4 | -168.4 | 30.2 | 0 | 0 | 112.2 | I1423 G1424 W1428 K1429 V1430 | I1423-Q1426 HydrophobicContact CB-CB 4.22Å; I1423-Q1426 HydrophobicContact CD1-CB 4.2Å; I1423-Q1426 HydrophobicContact CG1-CB 4.46Å; I1423-Q1426 WeakPolarHBondContact O-CB 3.19Å; I1423-Q1426 PolarHBondContact O-N 2.9Å; G1424-Q1426 PolarHBondContact O-N 3.28Å; Q1426-W1428 PolarHBondContact O-N 3.02Å; Q1426-K1429 WeakPolarHBondContact O-CB 3.29Å; Q1426-K1429 PolarHBondContact O-N 3.46Å; Q1426-V1430 WeakPolarHBondContact O-CG2 3.34Å; Q1426-V1430 PolarHBondContact O-N 3.37Å; Q1426-V1430 VanDerWaalsContact O-N 3.08Å |
| 1427 | I | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.6 | -38.1 | 177.7 | -159.4 | 64.8 | 0 | 0 | 0 | 112 | I1394 A1419 Y1420 I1423 G1424 E1425 K1429 V1430 I1431 | I1394-I1427 HydrophobicContact CG2-CD1 3.93Å; A1419-I1427 HydrophobicContact CB-CD1 3.68Å; Y1420-I1427 HydrophobicContact CD2-CB 4.29Å; Y1420-I1427 HydrophobicContact CD2-CG2 3.69Å; Y1420-I1427 HydrophobicContact CE2-CG2 4.42Å; I1423-I1427 HydrophobicContact CD1-CB 4.42Å; I1423-I1427 HydrophobicContact CD1-CD1 4Å; I1423-I1427 HydrophobicContact CG1-CD1 4.38Å; G1424-I1427 WeakPolarHBondContact O-CB 2.99Å; G1424-I1427 WeakPolarHBondContact O-CG2 3.3Å; G1424-I1427 PolarHBondContact O-N 3.05Å; E1425-I1427 PolarHBondContact O-N 3.34Å; I1427-K1429 VanDerWaalsContact C-N 3.34Å; I1427-K1429 PolarHBondContact O-N 3.19Å; I1427-V1430 PolarHBondContact O-N 3.18Å; I1427-V1430 VanDerWaalsContact O-N 3.1Å; I1427-I1431 HydrophobicContact CG1-CD1 3.87Å; I1427-I1431 HydrophobicContact CG1-CG1 4.25Å; I1427-I1431 WeakPolarHBondContact O-CG1 2.94Å; I1427-I1431 PolarHBondContact O-N 3.06Å |
| 1428 | W | 87.8 | Confident | 87.2 | Confident | 53 Ų | 53 | 62 Ų | 62 | 20% | 0.201 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | -179 | -53.7 | 115.6 | 0 | 0 | 0 | 111.8 | E1425 Q1426 V1430 G1432 R1439 L1442 E1443 I1446 | E1425-W1428 VanDerWaalsContact O-CD1 3.28Å; E1425-W1428 PolarHBondContact O-N 3.49Å; E1425-W1428 VanDerWaalsContact OE2-CD1 3.24Å; E1425-W1428 PolarHBondContact OE2-NE1 2.92Å; Q1426-W1428 PolarHBondContact O-N 3.02Å; W1428-V1430 VanDerWaalsContact C-N 3.31Å; W1428-G1432 PolarHBondContact O-N 3.08Å; W1428-R1439 HydrophobicContact CZ3-CG 4.09Å; W1428-L1442 HydrophobicContact CH2-CB 4.22Å; W1428-L1442 HydrophobicContact CH2-CD2 3.9Å; W1428-L1442 HydrophobicContact CH2-CG 3.88Å; W1428-L1442 HydrophobicContact CZ3-CD2 3.79Å; W1428-L1442 HydrophobicContact CZ3-CG 4.25Å; W1428-E1443 HydrophobicContact CH2-CG 3.46Å; W1428-E1443 VanDerWaalsContact CH2-CG 3.46Å; W1428-E1443 HydrophobicContact CZ2-CG 3.69Å; W1428-E1443 HydrophobicContact CZ3-CG 4.38Å; W1428-I1446 HydrophobicContact CH2-CD1 4.19Å; W1428-I1446 HydrophobicContact CZ2-CD1 3.89Å |
| 1429 | K | 85.8 | Confident | 87.1 | Confident | 191 Ų | 191 | 65.7 Ų | 65.7 | 83% | 0.83 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.6 | -27.5 | 174.2 | -170.5 | 178.3 | 178.5 | -177.1 | 0 | 112.4 | Q1426 I1427 | Q1426-K1429 WeakPolarHBondContact O-CB 3.29Å; Q1426-K1429 PolarHBondContact O-N 3.46Å; I1427-K1429 VanDerWaalsContact C-N 3.34Å; I1427-K1429 PolarHBondContact O-N 3.19Å |
| 1430 | V | 85.8 | Confident | 86.9 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85.7 | -36 | -179.3 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | I1390 P1391 I1394 I1423 Q1426 I1427 W1428 | I1390-V1430 HydrophobicContact CG2-CG1 4.05Å; P1391-V1430 HydrophobicContact CB-CG1 4.32Å; P1391-V1430 HydrophobicContact CG-CG1 4.4Å; I1394-V1430 HydrophobicContact CB-CG1 3.86Å; I1394-V1430 HydrophobicContact CG1-CG1 4.01Å; I1394-V1430 HydrophobicContact CG2-CG1 3.88Å; I1423-V1430 HydrophobicContact CD1-CB 4.38Å; I1423-V1430 HydrophobicContact CD1-CG2 3.91Å; Q1426-V1430 WeakPolarHBondContact O-CG2 3.34Å; Q1426-V1430 PolarHBondContact O-N 3.37Å; Q1426-V1430 VanDerWaalsContact O-N 3.08Å; I1427-V1430 PolarHBondContact O-N 3.18Å; I1427-V1430 VanDerWaalsContact O-N 3.1Å; W1428-V1430 VanDerWaalsContact C-N 3.31Å |
| 1431 | I | 87.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 170.2 | -68.1 | 169.3 | 0 | 0 | 0 | 110.1 | I1394 A1398 L1416 I1427 I1434 L1442 | I1394-I1431 HydrophobicContact CG2-CG1 3.57Å; A1398-I1431 HydrophobicContact CB-CG1 4.35Å; A1398-I1431 HydrophobicContact CB-CG2 3.88Å; L1416-I1431 HydrophobicContact CD2-CD1 4.37Å; I1427-I1431 HydrophobicContact CG1-CD1 3.87Å; I1427-I1431 HydrophobicContact CG1-CG1 4.25Å; I1427-I1431 WeakPolarHBondContact O-CG1 2.94Å; I1427-I1431 PolarHBondContact O-N 3.06Å; I1431-I1434 HydrophobicContact CG2-CB 4.02Å; I1431-I1434 HydrophobicContact CG2-CD1 4.19Å; I1431-I1434 HydrophobicContact CG2-CG2 4.13Å; I1431-L1442 HydrophobicContact CD1-CD2 3.7Å |
| 1432 | G | 83.5 | Confident | 87 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | trans | 74.9 | -148.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112 | W1428 I1434 | W1428-G1432 PolarHBondContact O-N 3.08Å; G1432-I1434 PolarHBondContact O-N 3.05Å | ||
| 1433 | D | 81.6 | Confident | 87.2 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 83% | 0.829 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -65.4 | 128.1 | -177.3 | -166.4 | 17.4 | 0 | 0 | 0 | 112.5 | ||
| 1434 | I | 88.1 | Confident | 87.2 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | trans | -148.2 | 138.8 | -173.8 | -175.4 | 175.7 | 0 | 0 | 0 | 109.2 | A1398 I1401 I1431 G1432 E1436 E1438 R1439 | A1398-I1434 HydrophobicContact CB-CD1 4.28Å; I1401-I1434 HydrophobicContact CD1-CD1 3.99Å; I1431-I1434 HydrophobicContact CG2-CB 4.02Å; I1431-I1434 HydrophobicContact CG2-CD1 4.19Å; I1431-I1434 HydrophobicContact CG2-CG2 4.13Å; G1432-I1434 PolarHBondContact O-N 3.05Å; I1434-E1436 PolarHBondContact O-N 3.37Å; I1434-E1438 HydrophobicContact CD1-CB 4.05Å; I1434-E1438 HydrophobicContact CG1-CB 3.99Å; I1434-R1439 HydrophobicContact CG2-CB 4.2Å | ||
| 1435 | P | 86.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 75 Ų | 75 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | trans | -57.6 | 137.5 | -178 | -26 | 35.2 | 0 | 0 | 0 | 113.2 | K1437 E1438 R1439 | P1435-K1437 PolarHBondContact O-N 2.99Å; P1435-E1438 HydrophobicContact CB-CG 4.32Å; P1435-E1438 WeakPolarHBondContact O-CA 3.42Å; P1435-E1438 WeakPolarHBondContact O-CB 3.39Å; P1435-E1438 PolarHBondContact O-N 3.28Å; P1435-R1439 PolarHBondContact O-N 2.77Å | ||
| 1436 | E | 85.6 | Confident | 87.3 | Confident | 132 Ų | 132 | 70.4 Ų | 70.4 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.7 | -35.4 | -174.4 | -172.6 | 60.5 | -164.7 | 0 | 0 | 114 | I1434 E1438 R1439 S1440 | I1434-E1436 PolarHBondContact O-N 3.37Å; E1436-E1438 PolarHBondContact O-N 3.46Å; E1436-R1439 WeakPolarHBondContact O-CB 3.35Å; E1436-S1440 VanDerWaalsContact O-CB 3.31Å; E1436-S1440 WeakPolarHBondContact O-CB 3.24Å; E1436-S1440 PolarHBondContact O-N 3.09Å |
| 1437 | K | 87 | Confident | 87.3 | Confident | 165 Ų | 165 | 73.1 Ų | 73.1 | 72% | 0.717 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | 175 | -175.5 | -177.5 | 178.3 | -176.4 | 0 | 113.1 | P1435 M1441 | P1435-K1437 PolarHBondContact O-N 2.99Å; K1437-M1441 WeakPolarHBondContact O-CG 3.47Å; K1437-M1441 PolarHBondContact O-N 3.3Å |
| 1438 | E | 89.5 | Confident | 86.8 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -79.5 | -39.1 | -179.9 | -63.2 | 178.2 | -166 | 0 | 0 | 110.6 | I1401 G1402 I1434 P1435 E1436 M1441 L1442 | I1401-E1438 HydrophobicContact CB-CB 4.24Å; I1401-E1438 HydrophobicContact CB-CG 4.44Å; I1401-E1438 HydrophobicContact CG2-CB 3.72Å; I1401-E1438 HydrophobicContact CG2-CG 3.96Å; G1402-E1438 VanDerWaalsContact CA-OE1 3.3Å; G1402-E1438 WeakPolarHBondContact CA-OE1 3.28Å; I1434-E1438 HydrophobicContact CD1-CB 4.05Å; I1434-E1438 HydrophobicContact CG1-CB 3.99Å; P1435-E1438 HydrophobicContact CB-CG 4.32Å; P1435-E1438 WeakPolarHBondContact O-CA 3.42Å; P1435-E1438 WeakPolarHBondContact O-CB 3.39Å; P1435-E1438 PolarHBondContact O-N 3.28Å; E1436-E1438 PolarHBondContact O-N 3.46Å; E1438-M1441 HydrophobicContact CB-CE 4.48Å; E1438-M1441 HydrophobicContact CG-CE 4.14Å; E1438-M1441 PolarHBondContact O-N 2.57Å; E1438-L1442 PolarHBondContact O-N 2.83Å; E1438-L1442 VanDerWaalsContact O-N 3.1Å |
| 1439 | R | 89.3 | Confident | 86.4 | Confident | 98 Ų | 98 | 77.4 Ų | 77.4 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.6 | -54.8 | 167.1 | -175 | -173.3 | 173.3 | 144.6 | 8.4 | 111.6 | W1428 I1434 P1435 E1436 M1441 L1442 E1443 | W1428-R1439 HydrophobicContact CZ3-CG 4.09Å; I1434-R1439 HydrophobicContact CG2-CB 4.2Å; P1435-R1439 PolarHBondContact O-N 2.77Å; E1436-R1439 WeakPolarHBondContact O-CB 3.35Å; R1439-M1441 VanDerWaalsContact C-N 3.3Å; R1439-M1441 PolarHBondContact O-N 3.27Å; R1439-L1442 WeakPolarHBondContact O-CA 3.29Å; R1439-L1442 PolarHBondContact O-N 2.87Å; R1439-E1443 HydrophobicContact CG-CG 4.4Å; R1439-E1443 IonicContact CZ-OE1 3.33Å; R1439-E1443 IonicContact NE-OE1 2.8Å; R1439-E1443 PolarHBondContact NE-OE1 3.12Å; R1439-E1443 IonicContact NH2-OE1 2.67Å; R1439-E1443 PolarHBondContact NH2-OE1 3.43Å; R1439-E1443 VanDerWaalsContact NH2-OE1 3.08Å; R1439-E1443 PolarHBondContact O-N 3.15Å |
| 1440 | S | 88.6 | Confident | 85.6 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | E1436 L1442 E1444 | E1436-S1440 VanDerWaalsContact O-CB 3.31Å; E1436-S1440 WeakPolarHBondContact O-CB 3.24Å; E1436-S1440 PolarHBondContact O-N 3.09Å; S1440-L1442 PolarHBondContact O-N 2.97Å; S1440-E1444 WeakPolarHBondContact O-CB 3.5Å; S1440-E1444 PolarHBondContact O-N 3.31Å |
| 1441 | M | 89.1 | Confident | 84.2 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 173.2 | -74.1 | -172.9 | -64.7 | 0 | 0 | 113 | I1401 K1437 E1438 R1439 R1445 | I1401-M1441 HydrophobicContact CG2-CE 3.68Å; K1437-M1441 WeakPolarHBondContact O-CG 3.47Å; K1437-M1441 PolarHBondContact O-N 3.3Å; E1438-M1441 HydrophobicContact CB-CE 4.48Å; E1438-M1441 HydrophobicContact CG-CE 4.14Å; E1438-M1441 PolarHBondContact O-N 2.57Å; R1439-M1441 VanDerWaalsContact C-N 3.3Å; R1439-M1441 PolarHBondContact O-N 3.27Å; M1441-R1445 WeakPolarHBondContact O-CB 3.12Å; M1441-R1445 PolarHBondContact O-N 3.09Å; M1441-R1445 VanDerWaalsContact O-N 3.14Å |
| 1442 | L | 90.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -74.3 | -44.1 | 175.4 | -178 | 57.7 | 0 | 0 | 0 | 112 | I1401 L1413 L1416 W1428 I1431 E1438 R1439 S1440 E1444 R1445 I1446 | I1401-L1442 HydrophobicContact CD1-CB 4.47Å; I1401-L1442 HydrophobicContact CD1-CD2 4.49Å; L1413-L1442 HydrophobicContact CD2-CB 3.95Å; L1413-L1442 HydrophobicContact CD2-CD1 3.92Å; L1416-L1442 HydrophobicContact CB-CD1 3.93Å; L1416-L1442 HydrophobicContact CB-CD2 4.42Å; L1416-L1442 HydrophobicContact CD1-CD2 4.3Å; W1428-L1442 HydrophobicContact CH2-CB 4.22Å; W1428-L1442 HydrophobicContact CH2-CD2 3.9Å; W1428-L1442 HydrophobicContact CH2-CG 3.88Å; W1428-L1442 HydrophobicContact CZ3-CD2 3.79Å; W1428-L1442 HydrophobicContact CZ3-CG 4.25Å; I1431-L1442 HydrophobicContact CD1-CD2 3.7Å; E1438-L1442 PolarHBondContact O-N 2.83Å; E1438-L1442 VanDerWaalsContact O-N 3.1Å; R1439-L1442 WeakPolarHBondContact O-CA 3.29Å; R1439-L1442 PolarHBondContact O-N 2.87Å; S1440-L1442 PolarHBondContact O-N 2.97Å; L1442-E1444 PolarHBondContact O-N 2.9Å; L1442-R1445 WeakPolarHBondContact O-CB 3.34Å; L1442-R1445 PolarHBondContact O-N 3.12Å; L1442-R1445 VanDerWaalsContact O-N 3.1Å; L1442-I1446 HydrophobicContact CD1-CD1 4.11Å; L1442-I1446 HydrophobicContact CD1-CG1 4.27Å; L1442-I1446 HydrophobicContact CG-CD1 3.96Å; L1442-I1446 WeakPolarHBondContact O-CG1 3.44Å; L1442-I1446 PolarHBondContact O-N 2.89Å |
| 1443 | E | 89.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 174.7 | -69.6 | -179.8 | 173.9 | 0 | 0 | 111.6 | W1428 R1439 R1445 I1446 K1447 | W1428-E1443 HydrophobicContact CH2-CG 3.46Å; W1428-E1443 VanDerWaalsContact CH2-CG 3.46Å; W1428-E1443 HydrophobicContact CZ2-CG 3.69Å; W1428-E1443 HydrophobicContact CZ3-CG 4.38Å; R1439-E1443 HydrophobicContact CG-CG 4.4Å; R1439-E1443 IonicContact CZ-OE1 3.33Å; R1439-E1443 IonicContact NE-OE1 2.8Å; R1439-E1443 PolarHBondContact NE-OE1 3.12Å; R1439-E1443 IonicContact NH2-OE1 2.67Å; R1439-E1443 PolarHBondContact NH2-OE1 3.43Å; R1439-E1443 VanDerWaalsContact NH2-OE1 3.08Å; R1439-E1443 PolarHBondContact O-N 3.15Å; E1443-R1445 VanDerWaalsContact C-N 3.29Å; E1443-R1445 PolarHBondContact O-N 2.73Å; E1443-I1446 PolarHBondContact O-N 3.18Å; E1443-K1447 VanDerWaalsContact O-CB 3.27Å; E1443-K1447 WeakPolarHBondContact O-CB 3.28Å; E1443-K1447 PolarHBondContact O-N 3.44Å |
| 1444 | E | 87.7 | Confident | 79.6 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 41% | 0.407 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 174.5 | -163.1 | -160.1 | -152.7 | 0 | 0 | 111.6 | S1440 L1442 R1448 | S1440-E1444 WeakPolarHBondContact O-CB 3.5Å; S1440-E1444 PolarHBondContact O-N 3.31Å; L1442-E1444 PolarHBondContact O-N 2.9Å; E1444-R1448 VanDerWaalsContact O-CB 3.28Å; E1444-R1448 WeakPolarHBondContact O-CB 3.5Å; E1444-R1448 VanDerWaalsContact O-CG 3.24Å; E1444-R1448 WeakPolarHBondContact O-CG 3.43Å; E1444-R1448 PolarHBondContact O-N 3.5Å; E1444-R1448 IonicContact OE1-CZ 3.97Å; E1444-R1448 IonicContact OE1-NE 2.77Å; E1444-R1448 IonicContact OE1-NH1 2.83Å; E1444-R1448 PolarHBondContact OE1-NH1 3Å; E1444-R1448 IonicContact OE1-NH2 3.1Å; E1444-R1448 PolarHBondContact OE1-NH2 3.41Å; E1444-R1448 IonicContact OE2-CZ 2.79Å; E1444-R1448 IonicContact OE2-NH1 2.83Å; E1444-R1448 PolarHBondContact OE2-NH1 3.33Å; E1444-R1448 IonicContact OE2-NH2 3.87Å |
| 1445 | R | 90 | Very high | 77.1 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 21% | 0.211 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.2 | -42.3 | 178.7 | -161.3 | 67.8 | 132.5 | 62.6 | 5.6 | 112.6 | S1410 L1413 N1414 M1441 L1442 E1443 R1448 A1449 | S1410-R1445 PolarHBondContact O-NH2 2.9Å; S1410-R1445 PolarHBondContact OG-NH2 3.38Å; L1413-R1445 HydrophobicContact CB-CG 4.21Å; N1414-R1445 VanDerWaalsContact OD1-CZ 3.23Å; N1414-R1445 PolarHBondContact OD1-NH1 3.16Å; N1414-R1445 PolarHBondContact OD1-NH2 2.86Å; M1441-R1445 WeakPolarHBondContact O-CB 3.12Å; M1441-R1445 PolarHBondContact O-N 3.09Å; M1441-R1445 VanDerWaalsContact O-N 3.14Å; L1442-R1445 WeakPolarHBondContact O-CB 3.34Å; L1442-R1445 PolarHBondContact O-N 3.12Å; L1442-R1445 VanDerWaalsContact O-N 3.1Å; E1443-R1445 VanDerWaalsContact C-N 3.29Å; E1443-R1445 PolarHBondContact O-N 2.73Å; R1445-R1448 PolarHBondContact O-N 2.82Å; R1445-A1449 PolarHBondContact O-N 3.32Å |
| 1446 | I | 86.9 | Confident | 74.6 | Confident | 20 Ų | 20 | 86 Ų | 86 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 173.8 | -69.7 | 165.3 | 0 | 0 | 0 | 109.6 | L1417 Y1420 W1428 L1442 E1443 R1448 A1449 G1450 | L1417-I1446 HydrophobicContact CD1-CG1 4.11Å; Y1420-I1446 HydrophobicContact CD1-CD1 4.39Å; Y1420-I1446 HydrophobicContact CD1-CG1 4.25Å; Y1420-I1446 HydrophobicContact CD1-CG2 3.87Å; Y1420-I1446 HydrophobicContact CD2-CD1 3.89Å; Y1420-I1446 HydrophobicContact CE1-CG2 3.45Å; Y1420-I1446 VanDerWaalsContact CE1-CG2 3.45Å; Y1420-I1446 HydrophobicContact CE2-CD1 4.22Å; Y1420-I1446 HydrophobicContact CE2-CG2 4.33Å; Y1420-I1446 HydrophobicContact CG-CD1 3.96Å; Y1420-I1446 HydrophobicContact CG-CG1 4.23Å; Y1420-I1446 HydrophobicContact CG-CG2 4.47Å; W1428-I1446 HydrophobicContact CH2-CD1 4.19Å; W1428-I1446 HydrophobicContact CZ2-CD1 3.89Å; L1442-I1446 HydrophobicContact CD1-CD1 4.11Å; L1442-I1446 HydrophobicContact CD1-CG1 4.27Å; L1442-I1446 HydrophobicContact CG-CD1 3.96Å; L1442-I1446 WeakPolarHBondContact O-CG1 3.44Å; L1442-I1446 PolarHBondContact O-N 2.89Å; E1443-I1446 PolarHBondContact O-N 3.18Å; I1446-R1448 VanDerWaalsContact C-N 3.27Å; I1446-R1448 PolarHBondContact O-N 3.08Å; I1446-A1449 WeakPolarHBondContact O-CB 3.36Å; I1446-A1449 PolarHBondContact O-N 3.23Å; I1446-G1450 PolarHBondContact O-N 3.07Å; I1446-G1450 VanDerWaalsContact O-N 3.16Å |
| 1447 | K | 84.5 | Confident | 72 | Confident | 187 Ų | 187 | 85.7 Ų | 85.7 | 81% | 0.813 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60 | -34.3 | 176.6 | -171.6 | 173.5 | -176.4 | 174.2 | 0 | 113.1 | E1443 | E1443-K1447 VanDerWaalsContact O-CB 3.27Å; E1443-K1447 WeakPolarHBondContact O-CB 3.28Å; E1443-K1447 PolarHBondContact O-N 3.44Å |
| 1448 | R | 79.1 | Confident | 69.3 | Low | 111 Ų | 111 | 84.2 Ų | 84.2 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75.9 | -22.4 | 173.2 | -79.5 | 174.4 | 171.1 | 158.7 | 1.9 | 113.8 | E1444 R1445 I1446 K1775 | E1444-R1448 VanDerWaalsContact O-CB 3.28Å; E1444-R1448 WeakPolarHBondContact O-CB 3.5Å; E1444-R1448 VanDerWaalsContact O-CG 3.24Å; E1444-R1448 WeakPolarHBondContact O-CG 3.43Å; E1444-R1448 PolarHBondContact O-N 3.5Å; E1444-R1448 IonicContact OE1-CZ 3.97Å; E1444-R1448 IonicContact OE1-NE 2.77Å; E1444-R1448 IonicContact OE1-NH1 2.83Å; E1444-R1448 PolarHBondContact OE1-NH1 3Å; E1444-R1448 IonicContact OE1-NH2 3.1Å; E1444-R1448 PolarHBondContact OE1-NH2 3.41Å; E1444-R1448 IonicContact OE2-CZ 2.79Å; E1444-R1448 IonicContact OE2-NH1 2.83Å; E1444-R1448 PolarHBondContact OE2-NH1 3.33Å; E1444-R1448 IonicContact OE2-NH2 3.87Å; R1445-R1448 PolarHBondContact O-N 2.82Å; I1446-R1448 VanDerWaalsContact C-N 3.27Å; I1446-R1448 PolarHBondContact O-N 3.08Å; R1448-K1775 WeakPolarHBondContact O-CE 3.33Å; R1448-K1775 PolarHBondContact O-NZ 2.91Å |
| 1449 | A | 78.3 | Confident | 66.6 | Low | 33 Ų | 33 | 89.3 Ų | 89.3 | 27% | 0.273 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.5 | -48.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1417 R1445 I1446 Q1451 | L1417-A1449 HydrophobicContact CD1-CB 3.54Å; L1417-A1449 HydrophobicContact CD2-CB 3.56Å; L1417-A1449 HydrophobicContact CG-CB 4.16Å; R1445-A1449 PolarHBondContact O-N 3.32Å; I1446-A1449 WeakPolarHBondContact O-CB 3.36Å; I1446-A1449 PolarHBondContact O-N 3.23Å; A1449-Q1451 VanDerWaalsContact C-N 3.35Å |
| 1450 | G | 68.7 | Low | 63.5 | Low | 66 Ų | 66 | 94 Ų | 94 | 68% | 0.68 | 51% | 0.509 | S | S | * | . | trans | 81.9 | 8.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1446 A1452 | I1446-G1450 PolarHBondContact O-N 3.07Å; I1446-G1450 VanDerWaalsContact O-N 3.16Å; G1450-A1452 PolarHBondContact O-N 2.66Å | ||
| 1451 | Q | 57.6 | Low | 60.6 | Low | 107 Ų | 107 | 99.4 Ų | 99.4 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 122.9 | 169.6 | -111.8 | 80.8 | 13.1 | 0 | 0 | 110.3 | A1421 A1449 | A1421-Q1451 HydrophobicContact CB-CG 4.34Å; A1449-Q1451 VanDerWaalsContact C-N 3.35Å |
| 1452 | A | 53.4 | Low | 58 | Low | 80 Ų | 80 | 102.7 Ų | 102.7 | 66% | 0.661 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 144.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1450 | G1450-A1452 PolarHBondContact O-N 2.66Š|
| 1453 | P | 52.3 | Low | 54.8 | Low | 43 Ų | 43 | 112.3 Ų | 112.3 | 28% | 0.279 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 144 | 175 | -24.7 | 35.5 | 0 | 0 | 0 | 112.9 | Y1420 N1455 | Y1420-P1453 HydrophobicContact CE1-CG 4.29Å; P1453-N1455 PolarHBondContact O-N 3.28Å; P1453-N1455 VanDerWaalsContact O-N 3.12Å |
| 1454 | I | 48.6 | Very low | 51.8 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 62% | 0.621 | 61% | 0.614 | S | S | * | * | trans | -75.3 | 102 | 172.6 | -58.5 | 174.7 | 0 | 0 | 0 | 108.5 | T1456 | I1454-T1456 HydrophobicContact CG2-CG2 4.49Å; I1454-T1456 PolarHBondContact O-N 3.09Å | ||
| 1455 | N | 35.8 | Very low | 49.7 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | trans | -67.1 | 94.7 | 178.8 | -78.7 | -22 | 0 | 0 | 0 | 111.7 | P1453 | P1453-N1455 PolarHBondContact O-N 3.28Å; P1453-N1455 VanDerWaalsContact O-N 3.12Å | ||
| 1456 | T | 35.4 | Very low | 46.5 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | trans | -118.5 | 127.6 | 161.7 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | I1454 | I1454-T1456 HydrophobicContact CG2-CG2 4.49Å; I1454-T1456 PolarHBondContact O-N 3.09Å | ||
| 1457 | V | 30.9 | Very low | 43.9 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -106.8 | 140.8 | -168.3 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1458 | D | 30.4 | Very low | 41 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 71.7 | 121.5 | 165.1 | -70.7 | -8.2 | 0 | 0 | 0 | 122.4 | ||
| 1459 | N | 31.4 | Very low | 39.3 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | 69 | 77.4 | 140.4 | -59.9 | -31.7 | 0 | 0 | 0 | 119.6 | E1461 | N1459-E1461 PolarHBondContact O-N 2.74Š| ||
| 1460 | F | 25.8 | Very low | 36.8 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -69.2 | 115.9 | 149.5 | -85.1 | -108.1 | 0 | 0 | 0 | 111.2 | ||||
| 1461 | E | 26.4 | Very low | 34.7 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -131.3 | 130.2 | 154 | -165.5 | 172.7 | -142.2 | 0 | 0 | 109.2 | N1459 K1463 | N1459-E1461 PolarHBondContact O-N 2.74Å; E1461-K1463 PolarHBondContact O-N 3.25Å; E1461-K1463 VanDerWaalsContact O-N 3.17Å | ||
| 1462 | P | 34.3 | Very low | 33.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -84.8 | 100.9 | -157.3 | 31.6 | -35.8 | 0 | 0 | 0 | 113.5 | T1464 | P1462-T1464 PolarHBondContact O-N 2.94Å; P1462-T1464 VanDerWaalsContact O-N 3.11Å | ||
| 1463 | K | 24 | Very low | 31.8 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -70.2 | 104.3 | 169.2 | -72.6 | -178.7 | 179.6 | 172.6 | 0 | 111.2 | E1461 | E1461-K1463 PolarHBondContact O-N 3.25Å; E1461-K1463 VanDerWaalsContact O-N 3.17Å | ||
| 1464 | T | 26.8 | Very low | 30.4 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -64.8 | 143.9 | 167.2 | 43.7 | 0 | 0 | 0 | 0 | 110.8 | P1462 S1466 | P1462-T1464 PolarHBondContact O-N 2.94Å; P1462-T1464 VanDerWaalsContact O-N 3.11Å; T1464-S1466 PolarHBondContact O-N 3.34Å | ||
| 1465 | P | 42.8 | Very low | 29.5 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -78.6 | 105.7 | -172.1 | 30.1 | -34.2 | 0 | 0 | 0 | 111.4 | ||||
| 1466 | S | 23.1 | Very low | 30.1 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -113.8 | 114.1 | 171.5 | -165 | 0 | 0 | 0 | 0 | 110.7 | T1464 | T1464-S1466 PolarHBondContact O-N 3.34Š| ||
| 1467 | V | 32.4 | Very low | 29.5 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -71.3 | 130.5 | 174.8 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1468 | R | 22.9 | Very low | 29.3 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -130.2 | 144.1 | 156.4 | -98.2 | -170.3 | 168.5 | -174.3 | -3.3 | 111.8 | ||||
| 1469 | P | 44.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -99.6 | 179.1 | -163.9 | 40.4 | -38 | 0 | 0 | 0 | 114 | ||||
| 1470 | S | 24.9 | Very low | 28.7 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -41.8 | 122.1 | 173 | 53.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1471 | T | 25 | Very low | 28.9 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 117.7 | 143.4 | 47.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1472 | A | 25.8 | Very low | 29 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 87.7 | 88.5 | 51.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 1473 | R | 24.7 | Very low | 28.6 | Very low | 243 Ų | 243 | 150.6 Ų | 150.6 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -177 | 131.4 | 161.3 | -101.8 | 159.2 | -164.6 | -155.6 | 2.1 | 105.9 | ||||
| 1474 | R | 21.9 | Very low | 28.9 | Very low | 221 Ų | 221 | 150.3 Ų | 150.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | cis | 57.6 | 123.1 | 46.2 | -74.4 | -163.4 | -173.7 | 177.8 | 1.5 | 111.9 | ||||
| 1475 | D | 30.4 | Very low | 29.1 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | cis | -143.6 | 174.6 | 23.8 | -90 | -45.6 | 0 | 0 | 0 | 113.6 | ||||
| 1476 | P | 48.1 | Very low | 28.4 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -97.4 | 166.3 | -173.6 | 38.2 | -36.1 | 0 | 0 | 0 | 114.5 | ||||
| 1477 | S | 23.7 | Very low | 29.3 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -174 | 144 | 142.2 | -85.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1478 | D | 25.7 | Very low | 28.9 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 74.4 | 159.5 | 147.5 | -127.2 | -26 | 0 | 0 | 0 | 124.2 | ||||
| 1479 | S | 27 | Very low | 29.2 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 63.8 | 102.5 | 175 | -62.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1480 | R | 22.4 | Very low | 28.3 | Very low | 218 Ų | 218 | 151.7 Ų | 151.7 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | 72.4 | 89.6 | 51.1 | -59 | 175.2 | 167.3 | 170 | -2.3 | 116 | |||||
| 1481 | K | 29 | Very low | 28.4 | Very low | 211 Ų | 211 | 156.7 Ų | 156.7 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | -171.8 | 122.8 | 120.6 | -105.9 | 174.8 | -179.3 | -177.7 | 0 | 111.6 | |||||
| 1482 | P | 29.7 | Very low | 28.5 | Very low | 113 Ų | 113 | 161.7 Ų | 161.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -119.7 | -174.9 | -176.9 | 42 | -32.3 | 0 | 0 | 0 | 114.6 | ||||
| 1483 | L | 24.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 166.6 Ų | 166.6 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | 86.7 | 105.7 | 161.7 | -61.4 | 164.1 | 0 | 0 | 0 | 118.9 | ||||
| 1484 | E | 30.6 | Very low | 29 | Very low | 197 Ų | 197 | 164.2 Ų | 164.2 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | -132.9 | 137.1 | 126.4 | -168.4 | 162.6 | -136.1 | 0 | 0 | 107.8 | |||||
| 1485 | P | 30.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 159.8 Ų | 159.8 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | trans | -119 | 145.2 | -159.2 | 39.1 | -27.3 | 0 | 0 | 0 | 116.5 | ||||
| 1486 | V | 29.4 | Very low | 30.3 | Very low | 141 Ų | 141 | 157.4 Ų | 157.4 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -128.8 | 143.1 | 158.2 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1487 | P | 40.7 | Very low | 30.3 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -83.9 | 169.9 | -156.5 | -15.8 | 33.4 | 0 | 0 | 0 | 117.7 | ||||
| 1488 | N | 25.5 | Very low | 31.4 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -37.8 | 140.2 | 174 | -68.1 | -37.5 | 0 | 0 | 0 | 116.7 | ||||
| 1489 | E | 28.2 | Very low | 32.3 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | -148.1 | 175.2 | 124.2 | -127.5 | 174.6 | -148.8 | 0 | 0 | 112 | |||||
| 1490 | F | 26.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 151 Ų | 151 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -118.3 | 144.8 | -145.6 | -103.7 | -99.2 | 0 | 0 | 0 | 117.1 | ||||
| 1491 | R | 26.6 | Very low | 35.2 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | 77.5 | 104 | 136.7 | -161.3 | -178.2 | -146 | 142.6 | 2 | 121.1 | ||||
| 1492 | R | 26.6 | Very low | 36.4 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | 31.5 | 111.9 | 143.6 | -67.9 | -175.3 | 176.9 | -177.5 | -0.8 | 119.4 | ||||
| 1493 | Q | 30.8 | Very low | 37.6 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | -157.5 | 166.7 | 119.4 | -106.9 | 169 | 26.9 | 0 | 0 | 109.9 | P1495 | Q1493-P1495 WeakPolarHBondContact O-CD 3.35Š| |||
| 1494 | Q | 30.7 | Very low | 39.3 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 119.4 | -164.5 | -70.4 | 172.7 | -44.7 | 0 | 0 | 113.3 | ||
| 1495 | P | 37.5 | Very low | 40.6 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 146.4 | 173.8 | 33.8 | -31.7 | 0 | 0 | 0 | 112.2 | Q1493 | Q1493-P1495 WeakPolarHBondContact O-CD 3.35Š|
| 1496 | V | 42.9 | Very low | 41.5 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -98.9 | 148.1 | -179.6 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | H1500 | V1496-H1500 HydrophobicContact CG1-CB 4.06Š|
| 1497 | S | 47.7 | Very low | 42.7 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | trans | -37.2 | 136.4 | -176.2 | 174.9 | 0 | 0 | 0 | 0 | 114.9 | A1499 H1500 A1501 | S1497-A1499 PolarHBondContact O-N 3.11Å; S1497-A1499 VanDerWaalsContact O-N 3.12Å; S1497-H1500 CarbonylContact O-C 3.59Å; S1497-H1500 WeakPolarHBondContact O-CA 3.31Å; S1497-H1500 WeakPolarHBondContact O-CB 3.39Å; S1497-H1500 PolarHBondContact O-N 2.97Å; S1497-A1501 PolarHBondContact O-N 2.98Å | ||
| 1498 | A | 46.3 | Very low | 43.5 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -57.1 | -29.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1501 R1502 | A1498-A1501 PolarHBondContact O-N 3.2Å; A1498-R1502 WeakPolarHBondContact O-CB 3.35Å; A1498-R1502 PolarHBondContact O-N 3.12Å |
| 1499 | A | 45.8 | Very low | 44.7 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66 | -39.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1497 A1503 | S1497-A1499 PolarHBondContact O-N 3.11Å; S1497-A1499 VanDerWaalsContact O-N 3.12Å; A1499-A1503 WeakPolarHBondContact O-CB 3.48Å; A1499-A1503 PolarHBondContact O-N 3.11Å |
| 1500 | H | 57.3 | Low | 45 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 43% | 0.426 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76.4 | -29.4 | 175.6 | -160.7 | 83.9 | 0 | 0 | 0 | 112.1 | V1496 S1497 R1504 | V1496-H1500 HydrophobicContact CG1-CB 4.06Å; S1497-H1500 CarbonylContact O-C 3.59Å; S1497-H1500 WeakPolarHBondContact O-CA 3.31Å; S1497-H1500 WeakPolarHBondContact O-CB 3.39Å; S1497-H1500 PolarHBondContact O-N 2.97Å; H1500-R1504 WeakPolarHBondContact O-CB 3.35Å; H1500-R1504 PolarHBondContact O-N 3.5Å |
| 1501 | A | 52.5 | Low | 45.4 | Very low | 52 Ų | 52 | 121.3 Ų | 121.3 | 43% | 0.43 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.8 | -41.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1497 A1498 R1504 A1505 | S1497-A1501 PolarHBondContact O-N 2.98Å; A1498-A1501 PolarHBondContact O-N 3.2Å; A1501-R1504 CarbonylContact O-C 3.55Å; A1501-R1504 PolarHBondContact O-N 3.46Å; A1501-A1505 WeakPolarHBondContact O-CB 3.24Å; A1501-A1505 PolarHBondContact O-N 3.05Å |
| 1502 | R | 54.8 | Low | 45.8 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67 | -38.4 | 173.9 | -164.1 | 172.9 | -169.5 | 165.2 | 3.3 | 111.8 | A1498 A1505 M1506 | A1498-R1502 WeakPolarHBondContact O-CB 3.35Å; A1498-R1502 PolarHBondContact O-N 3.12Å; R1502-A1505 PolarHBondContact O-N 3.46Å; R1502-M1506 PolarHBondContact O-N 2.91Å |
| 1503 | A | 53.6 | Low | 46.2 | Very low | 43 Ų | 43 | 112.3 Ų | 112.3 | 36% | 0.355 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.4 | -41.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1499 M1506 L1507 | A1499-A1503 WeakPolarHBondContact O-CB 3.48Å; A1499-A1503 PolarHBondContact O-N 3.11Å; A1503-M1506 PolarHBondContact O-N 3.49Å; A1503-L1507 WeakPolarHBondContact O-CB 3.42Å; A1503-L1507 WeakPolarHBondContact O-CG 3.43Å; A1503-L1507 PolarHBondContact O-N 3.48Å |
| 1504 | R | 61.6 | Low | 46.5 | Very low | 140 Ų | 140 | 106.3 Ų | 106.3 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.8 | -32.3 | 173.6 | -87.7 | -168.1 | 176.3 | 142 | 3.9 | 114 | H1500 A1501 L1507 N1508 | H1500-R1504 WeakPolarHBondContact O-CB 3.35Å; H1500-R1504 PolarHBondContact O-N 3.5Å; A1501-R1504 CarbonylContact O-C 3.55Å; A1501-R1504 PolarHBondContact O-N 3.46Å; R1504-L1507 PolarHBondContact O-N 3.36Å; R1504-N1508 VanDerWaalsContact O-CB 3.31Å; R1504-N1508 WeakPolarHBondContact O-CB 2.98Å; R1504-N1508 VanDerWaalsContact O-CG 3.28Å; R1504-N1508 PolarHBondContact O-N 3.09Å; R1504-N1508 PolarHBondContact O-OD1 2.84Å |
| 1505 | A | 57.1 | Low | 47.2 | Very low | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.3 | -51 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1501 R1502 L1507 N1508 E1509 | A1501-A1505 WeakPolarHBondContact O-CB 3.24Å; A1501-A1505 PolarHBondContact O-N 3.05Å; R1502-A1505 PolarHBondContact O-N 3.46Å; A1505-L1507 VanDerWaalsContact C-N 3.33Å; A1505-L1507 PolarHBondContact O-N 3.01Å; A1505-N1508 PolarHBondContact O-N 3.15Å; A1505-N1508 VanDerWaalsContact O-N 3.09Å; A1505-E1509 WeakPolarHBondContact O-CB 3.29Å; A1505-E1509 WeakPolarHBondContact O-CG 3.09Å; A1505-E1509 PolarHBondContact O-N 3.05Å |
| 1506 | M | 50.5 | Low | 47.3 | Very low | 119 Ų | 119 | 105.5 Ų | 105.5 | 59% | 0.586 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.9 | -39 | 174.6 | -72.6 | 175.6 | 142.7 | 0 | 0 | 113.1 | R1502 A1503 N1508 L1510 | R1502-M1506 PolarHBondContact O-N 2.91Å; A1503-M1506 PolarHBondContact O-N 3.49Å; M1506-N1508 VanDerWaalsContact C-N 3.33Å; M1506-L1510 PolarHBondContact O-N 3.38Å; M1506-L1510 VanDerWaalsContact O-N 3.1Å |
| 1507 | L | 53.9 | Low | 46.8 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 59% | 0.592 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.4 | -22.4 | 175.6 | -79.9 | 162.1 | 0 | 0 | 0 | 114.1 | A1503 R1504 A1505 | A1503-L1507 WeakPolarHBondContact O-CB 3.42Å; A1503-L1507 WeakPolarHBondContact O-CG 3.43Å; A1503-L1507 PolarHBondContact O-N 3.48Å; R1504-L1507 PolarHBondContact O-N 3.36Å; A1505-L1507 VanDerWaalsContact C-N 3.33Å; A1505-L1507 PolarHBondContact O-N 3.01Å |
| 1508 | N | 57.1 | Low | 46.1 | Very low | 130 Ų | 130 | 111.4 Ų | 111.4 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -91.7 | -27.9 | 175.1 | -76 | 12.5 | 0 | 0 | 0 | 112.4 | R1504 A1505 M1506 L1510 | R1504-N1508 VanDerWaalsContact O-CB 3.31Å; R1504-N1508 WeakPolarHBondContact O-CB 2.98Å; R1504-N1508 VanDerWaalsContact O-CG 3.28Å; R1504-N1508 PolarHBondContact O-N 3.09Å; R1504-N1508 PolarHBondContact O-OD1 2.84Å; A1505-N1508 PolarHBondContact O-N 3.15Å; A1505-N1508 VanDerWaalsContact O-N 3.09Å; M1506-N1508 VanDerWaalsContact C-N 3.33Å; N1508-L1510 VanDerWaalsContact C-N 3.27Å |
| 1509 | E | 50.9 | Low | 45.5 | Very low | 165 Ų | 165 | 111.9 Ų | 111.9 | 77% | 0.771 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.4 | -19.6 | 170.4 | -71.7 | -179.6 | 151.2 | 0 | 0 | 112 | A1505 G1511 | A1505-E1509 WeakPolarHBondContact O-CB 3.29Å; A1505-E1509 WeakPolarHBondContact O-CG 3.09Å; A1505-E1509 PolarHBondContact O-N 3.05Å; E1509-G1511 PolarHBondContact O-N 3.35Å |
| 1510 | L | 33.8 | Very low | 45 | Very low | 92 Ų | 92 | 114 Ų | 114 | 48% | 0.482 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -70.4 | 64.8 | 156.6 | -81.5 | 159.3 | 0 | 0 | 0 | 110.5 | M1506 N1508 D1512 | M1506-L1510 PolarHBondContact O-N 3.38Å; M1506-L1510 VanDerWaalsContact O-N 3.1Å; N1508-L1510 VanDerWaalsContact C-N 3.27Å; L1510-D1512 PolarHBondContact O-N 3.45Å |
| 1511 | G | 35.1 | Very low | 43.7 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | trans | -61.7 | 130.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | E1509 | E1509-G1511 PolarHBondContact O-N 3.35Š| ||
| 1512 | D | 35.9 | Very low | 43 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | 38.5 | 82.4 | 173.4 | -160 | 5.6 | 0 | 0 | 0 | 116.4 | L1510 S1514 | L1510-D1512 PolarHBondContact O-N 3.45Å; D1512-S1514 PolarHBondContact O-N 2.96Å; D1512-S1514 PolarHBondContact OD1-N 2.79Å | ||
| 1513 | L | 35.2 | Very low | 42.3 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | trans | -72.5 | 48.1 | 171.5 | -69.1 | 168.1 | 0 | 0 | 0 | 112.9 | P1519 | L1513-P1519 HydrophobicContact CD2-CG 4.4Š| ||
| 1514 | S | 36.3 | Very low | 41.4 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | trans | -62.2 | 129.9 | 167 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | D1512 E1516 | D1512-S1514 PolarHBondContact O-N 2.96Å; D1512-S1514 PolarHBondContact OD1-N 2.79Å; S1514-E1516 PolarHBondContact O-N 3Å | ||
| 1515 | P | 45 | Very low | 40.4 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 18.9 | -154.4 | 28.8 | -37 | 0 | 0 | 0 | 117 | ||
| 1516 | E | 40.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 2.6 | -176.5 | -63.5 | -160.4 | 153.4 | 0 | 0 | 115.7 | S1514 | S1514-E1516 PolarHBondContact O-N 3Š|
| 1517 | K | 32.5 | Very low | 39 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | -150.4 | 123.6 | 166.6 | -98.4 | 122.3 | -175 | 174.9 | 0 | 112.7 | ||||
| 1518 | A | 32.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 125.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1519 | P | 34.7 | Very low | 37.8 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 147.9 | 172.6 | -15.4 | 31.2 | 0 | 0 | 0 | 112.9 | L1513 | L1513-P1519 HydrophobicContact CD2-CG 4.4Š|
| 1520 | S | 34.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 135.6 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1521 | M | 31.8 | Very low | 37.9 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 85% | 0.852 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 142.8 | 177.6 | -161.2 | -179.1 | -57.3 | 0 | 0 | 112.1 | ||
| 1522 | P | 36.8 | Very low | 38.6 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 150.3 | 177.4 | -21.1 | 33.7 | 0 | 0 | 0 | 113.6 | ||
| 1523 | P | 40.3 | Very low | 39.1 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 146 | 179.9 | -15.4 | 30.7 | 0 | 0 | 0 | 113.4 | ||
| 1524 | L | 33.6 | Very low | 39.5 | Very low | 158 Ų | 158 | 122 Ų | 122 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 154.7 | 171.8 | -83.7 | 152.9 | 0 | 0 | 0 | 111.1 | ||
| 1525 | I | 41 | Very low | 39.8 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | 73.1 | 116 | 177.4 | -53.8 | 171.9 | 0 | 0 | 0 | 113.8 | L1527 | I1525-L1527 HydrophobicContact CG2-CB 4.08Å; I1525-L1527 HydrophobicContact CG2-CD1 4.4Å | ||
| 1526 | Q | 38.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | trans | -113.4 | 18.4 | -174 | -146.4 | 169 | -2.2 | 0 | 0 | 113.1 | D1528 A1529 | Q1526-D1528 PolarHBondContact O-N 3.24Å; Q1526-D1528 VanDerWaalsContact O-N 3.08Å; Q1526-A1529 WeakPolarHBondContact O-CB 3.5Å; Q1526-A1529 PolarHBondContact O-N 3.38Å | ||
| 1527 | L | 40.9 | Very low | 39.6 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 60% | 0.602 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -23.4 | -174.2 | -121.5 | 78 | 0 | 0 | 0 | 114.8 | I1525 A1529 | I1525-L1527 HydrophobicContact CG2-CB 4.08Å; I1525-L1527 HydrophobicContact CG2-CD1 4.4Å; L1527-A1529 PolarHBondContact O-N 2.78Å |
| 1528 | D | 41.3 | Very low | 40.1 | Very low | 124 Ų | 124 | 115.7 Ų | 115.7 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.3 | -18.2 | 175.7 | -78 | -37 | 0 | 0 | 0 | 112.7 | Q1526 N1532 | Q1526-D1528 PolarHBondContact O-N 3.24Å; Q1526-D1528 VanDerWaalsContact O-N 3.08Å; D1528-N1532 WeakPolarHBondContact O-CB 3.27Å; D1528-N1532 PolarHBondContact O-N 3.33Å; D1528-N1532 PolarHBondContact O-ND2 3.5Å |
| 1529 | A | 43.6 | Very low | 40.4 | Very low | 43 Ų | 43 | 118.8 Ų | 118.8 | 36% | 0.355 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.9 | -60.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1526 L1527 I1531 N1532 D1533 | Q1526-A1529 WeakPolarHBondContact O-CB 3.5Å; Q1526-A1529 PolarHBondContact O-N 3.38Å; L1527-A1529 PolarHBondContact O-N 2.78Å; A1529-I1531 VanDerWaalsContact C-N 3.27Å; A1529-I1531 PolarHBondContact O-N 2.97Å; A1529-N1532 PolarHBondContact O-N 3.39Å; A1529-D1533 PolarHBondContact O-N 2.82Å |
| 1530 | D | 41.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.2 | -38 | -174.5 | -51.4 | -21 | 0 | 0 | 0 | 112.6 | L1534 | D1530-L1534 PolarHBondContact O-N 3.03Å; D1530-L1534 VanDerWaalsContact O-N 3.13Å |
| 1531 | I | 46.1 | Very low | 41 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.5 | -40.9 | 177.9 | -63.5 | 177.1 | 0 | 0 | 0 | 111.1 | A1529 L1534 F1535 | A1529-I1531 VanDerWaalsContact C-N 3.27Å; A1529-I1531 PolarHBondContact O-N 2.97Å; I1531-L1534 PolarHBondContact O-N 2.94Å; I1531-F1535 HydrophobicContact CG2-CD2 4.2Å; I1531-F1535 HydrophobicContact CG2-CE2 4.26Å; I1531-F1535 VanDerWaalsContact O-CD2 3.28Å; I1531-F1535 WeakPolarHBondContact O-CD2 3.36Å; I1531-F1535 PolarHBondContact O-N 3.09Å |
| 1532 | N | 50.5 | Low | 41.6 | Very low | 96 Ų | 96 | 108.6 Ų | 108.6 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.8 | -37.1 | 176.8 | -78.8 | -65 | 0 | 0 | 0 | 111.8 | D1528 A1529 L1534 F1535 Q1536 | D1528-N1532 WeakPolarHBondContact O-CB 3.27Å; D1528-N1532 PolarHBondContact O-N 3.33Å; D1528-N1532 PolarHBondContact O-ND2 3.5Å; A1529-N1532 PolarHBondContact O-N 3.39Å; N1532-L1534 VanDerWaalsContact C-N 3.25Å; N1532-L1534 PolarHBondContact O-N 2.96Å; N1532-F1535 CarbonylContact O-C 3.55Å; N1532-F1535 PolarHBondContact O-N 3.03Å; N1532-F1535 VanDerWaalsContact O-N 3.1Å; N1532-Q1536 WeakPolarHBondContact O-CG 3.29Å; N1532-Q1536 PolarHBondContact O-N 2.78Å |
| 1533 | D | 46.6 | Very low | 42 | Very low | 82 Ų | 82 | 105.2 Ų | 105.2 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -32.8 | 173.3 | -92.1 | 30.6 | 0 | 0 | 0 | 112.2 | A1529 F1535 Q1536 R1689 | A1529-D1533 PolarHBondContact O-N 2.82Å; D1533-F1535 VanDerWaalsContact C-N 3.32Å; D1533-F1535 PolarHBondContact O-N 3.02Å; D1533-Q1536 PolarHBondContact OD1-NE2 3.09Å; D1533-R1689 PolarHBondContact O-NH1 3.45Å; D1533-R1689 PolarHBondContact O-NH2 3.38Å |
| 1534 | L | 43.2 | Very low | 42 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 67% | 0.67 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.3 | -26.8 | 173.9 | -118.4 | 161.8 | 0 | 0 | 0 | 113.7 | D1530 I1531 N1532 | D1530-L1534 PolarHBondContact O-N 3.03Å; D1530-L1534 VanDerWaalsContact O-N 3.13Å; I1531-L1534 PolarHBondContact O-N 2.94Å; N1532-L1534 VanDerWaalsContact C-N 3.25Å; N1532-L1534 PolarHBondContact O-N 2.96Å |
| 1535 | F | 42.7 | Very low | 42.3 | Very low | 170 Ų | 170 | 104.4 Ų | 104.4 | 75% | 0.746 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -109.4 | -3.4 | -179.2 | -70.6 | -64.7 | 0 | 0 | 0 | 114.9 | I1531 N1532 D1533 | I1531-F1535 HydrophobicContact CG2-CD2 4.2Å; I1531-F1535 HydrophobicContact CG2-CE2 4.26Å; I1531-F1535 VanDerWaalsContact O-CD2 3.28Å; I1531-F1535 WeakPolarHBondContact O-CD2 3.36Å; I1531-F1535 PolarHBondContact O-N 3.09Å; N1532-F1535 CarbonylContact O-C 3.55Å; N1532-F1535 PolarHBondContact O-N 3.03Å; N1532-F1535 VanDerWaalsContact O-N 3.1Å; D1533-F1535 VanDerWaalsContact C-N 3.32Å; D1533-F1535 PolarHBondContact O-N 3.02Å |
| 1536 | Q | 38.4 | Very low | 42.2 | Very low | 106 Ų | 106 | 105.7 Ų | 105.7 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -57.5 | 133.9 | 169.6 | -90.4 | 173 | 55.4 | 0 | 0 | 109.9 | N1532 D1533 V1538 | N1532-Q1536 WeakPolarHBondContact O-CG 3.29Å; N1532-Q1536 PolarHBondContact O-N 2.78Å; D1533-Q1536 PolarHBondContact OD1-NE2 3.09Å; Q1536-V1538 PolarHBondContact O-N 3.48Å |
| 1537 | P | 41.1 | Very low | 42.1 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 66% | 0.662 | 56% | 0.56 | S | S | * | * | trans | -53.4 | 141 | 166.2 | -23.4 | 34.2 | 0 | 0 | 0 | 109.8 | E1539 | P1537-E1539 PolarHBondContact O-N 3.23Š| ||
| 1538 | V | 44.4 | Very low | 41.9 | Very low | 56 Ų | 56 | 109.7 Ų | 109.7 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | trans | -76.2 | 79.3 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | Q1536 I1540 R1689 S1690 | Q1536-V1538 PolarHBondContact O-N 3.48Å; V1538-I1540 PolarHBondContact O-N 3.3Å; V1538-I1540 VanDerWaalsContact O-N 3.09Å; V1538-R1689 HydrophobicContact CG1-CB 4.35Å; V1538-R1689 HydrophobicContact CG2-CB 3.96Å; V1538-S1690 VanDerWaalsContact CG1-OG 3.29Å; V1538-S1690 WeakPolarHBondContact CG1-OG 3.41Å | ||
| 1539 | E | 38.3 | Very low | 41.9 | Very low | 168 Ų | 168 | 112.2 Ų | 112.2 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | trans | -70.3 | 102 | 176.8 | -66.9 | -166.3 | 170.7 | 0 | 0 | 109.7 | P1537 P1541 | P1537-E1539 PolarHBondContact O-N 3.23Å; E1539-P1541 WeakPolarHBondContact O-CD 3.48Å | ||
| 1540 | I | 44.7 | Very low | 42.1 | Very low | 30 Ų | 30 | 111.6 Ų | 111.6 | 15% | 0.154 | 57% | 0.571 | C | S | . | * | trans | -73.3 | 111.7 | 164.8 | -57.1 | -171.6 | 0 | 0 | 0 | 106.8 | V1538 A1542 R1638 L1641 A1642 | V1538-I1540 PolarHBondContact O-N 3.3Å; V1538-I1540 VanDerWaalsContact O-N 3.09Å; I1540-A1542 PolarHBondContact O-N 3.31Å; I1540-R1638 HydrophobicContact CG2-CG 4.26Å; I1540-L1641 HydrophobicContact CD1-CB 4.34Å; I1540-A1642 HydrophobicContact CG2-CB 3.91Å | ||
| 1541 | P | 36.5 | Very low | 42.8 | Very low | 72 Ų | 72 | 109.8 Ų | 109.8 | 47% | 0.468 | 56% | 0.563 | S | S | . | * | trans | -64.5 | 133.1 | -171.8 | -23 | 34.6 | 0 | 0 | 0 | 111.7 | E1539 L1543 | E1539-P1541 WeakPolarHBondContact O-CD 3.48Å; P1541-L1543 PolarHBondContact O-N 2.74Å | ||
| 1542 | A | 43.8 | Very low | 43.3 | Very low | 67 Ų | 67 | 105.7 Ų | 105.7 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | trans | -55.9 | 136 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1540 K1544 | I1540-A1542 PolarHBondContact O-N 3.31Å; A1542-K1544 PolarHBondContact O-N 3.48Å | ||
| 1543 | L | 45 | Very low | 43.4 | Very low | 38 Ų | 38 | 103.5 Ų | 103.5 | 20% | 0.199 | 53% | 0.531 | C | S | . | . | trans | -63.6 | 106.5 | -178.3 | -75.3 | 166.2 | 0 | 0 | 0 | 110.5 | P1541 T1545 A1586 D1589 A1642 | P1541-L1543 PolarHBondContact O-N 2.74Å; L1543-T1545 PolarHBondContact O-N 3.31Å; L1543-T1545 VanDerWaalsContact O-N 3.07Å; L1543-A1586 HydrophobicContact CB-CB 4.31Å; L1543-A1586 HydrophobicContact CD1-CB 4.31Å; L1543-D1589 HydrophobicContact CD1-CB 4.07Å; L1543-A1642 HydrophobicContact CD1-CB 4.25Å; L1543-A1642 HydrophobicContact CG-CB 4.48Å | ||
| 1544 | K | 41.7 | Very low | 43.8 | Very low | 200 Ų | 200 | 101.9 Ų | 101.9 | 87% | 0.87 | 53% | 0.529 | S | S | * | . | trans | -72.6 | 98.5 | 176.3 | -69 | -178.1 | -179 | 175.5 | 0 | 109.6 | A1542 H1546 | A1542-K1544 PolarHBondContact O-N 3.48Å; K1544-H1546 PolarHBondContact O-N 3.24Å | ||
| 1545 | T | 39.7 | Very low | 44.3 | Very low | 73 Ų | 73 | 98.2 Ų | 98.2 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | trans | -63.2 | 117 | 169.2 | 42.9 | 0 | 0 | 0 | 0 | 109.8 | L1543 A1586 | L1543-T1545 PolarHBondContact O-N 3.31Å; L1543-T1545 VanDerWaalsContact O-N 3.07Å; T1545-A1586 HydrophobicContact CG2-CB 4.15Å | ||
| 1546 | H | 38.3 | Very low | 44.8 | Very low | 180 Ų | 180 | 90.9 Ų | 90.9 | 83% | 0.833 | 48% | 0.478 | S | S | * | . | trans | -62.4 | 142.8 | 166.8 | -103.4 | -91.7 | 0 | 0 | 0 | 109.3 | K1544 R1548 | K1544-H1546 PolarHBondContact O-N 3.24Å; H1546-R1548 VanDerWaalsContact C-N 3.27Å; H1546-R1548 PolarHBondContact O-N 3.48Å | ||
| 1547 | V | 37.2 | Very low | 45.5 | Very low | 150 Ų | 150 | 95.8 Ų | 95.8 | 91% | 0.909 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -75.1 | 76.9 | -168.1 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1548 | R | 36.3 | Very low | 45.8 | Very low | 217 Ų | 217 | 96.6 Ų | 96.6 | 82% | 0.819 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -117 | 146 | 147.4 | -70.9 | -176.5 | 172.6 | -178.9 | -2.4 | 106.6 | H1546 P1550 | H1546-R1548 VanDerWaalsContact C-N 3.27Å; H1546-R1548 PolarHBondContact O-N 3.48Å; R1548-P1550 WeakPolarHBondContact O-CD 3.43Å |
| 1549 | Q | 40.3 | Very low | 45.6 | Very low | 177 Ų | 177 | 95.8 Ų | 95.8 | 83% | 0.827 | 49% | 0.492 | S | S | * | . | trans | -63.6 | 127.8 | 179.8 | -73.2 | -177.8 | -21.2 | 0 | 0 | 109.4 | V1551 | Q1549-V1551 PolarHBondContact O-N 3.04Š| ||
| 1550 | P | 49 | Very low | 46.4 | Very low | 30 Ų | 30 | 93.8 Ų | 93.8 | 20% | 0.195 | 49% | 0.494 | C | S | . | . | trans | -62.1 | 126.5 | 178.7 | -20.1 | 31.2 | 0 | 0 | 0 | 109.8 | R1548 L1552 N1553 A1554 E1587 | R1548-P1550 WeakPolarHBondContact O-CD 3.43Å; P1550-L1552 PolarHBondContact O-N 3.32Å; P1550-N1553 HydrophobicContact CB-CB 4.17Å; P1550-N1553 PolarHBondContact O-N 3.01Å; P1550-A1554 PolarHBondContact O-N 2.87Å; P1550-E1587 VanDerWaalsContact C-OE1 3.26Å; P1550-E1587 WeakPolarHBondContact CA-OE1 3.41Å; P1550-E1587 HydrophobicContact CB-CG 4.18Å; P1550-E1587 VanDerWaalsContact CB-OE1 3.31Å; P1550-E1587 WeakPolarHBondContact CB-OE1 3.42Å | ||
| 1551 | V | 54.8 | Low | 47.1 | Very low | 76 Ų | 76 | 97.9 Ų | 97.9 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | -175.6 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | Q1549 N1553 A1554 L1555 E1587 | Q1549-V1551 PolarHBondContact O-N 3.04Å; V1551-N1553 VanDerWaalsContact C-N 3.33Å; V1551-N1553 PolarHBondContact O-N 2.83Å; V1551-A1554 PolarHBondContact O-N 3.44Å; V1551-L1555 HydrophobicContact CG1-CD1 3.81Å; V1551-L1555 HydrophobicContact CG1-CG 4.28Å; V1551-L1555 WeakPolarHBondContact O-CG 3.28Å; V1551-L1555 PolarHBondContact O-N 3.49Å; V1551-E1587 PolarHBondContact N-OE1 2.88Å |
| 1552 | L | 55.8 | Low | 48.6 | Very low | 2 Ų | 2 | 96.5 Ų | 96.5 | 1% | 0.01 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 175 | -166.1 | 54.9 | 0 | 0 | 0 | 112.6 | P1550 A1554 L1555 L1556 A1565 I1566 V1569 E1587 V1591 | P1550-L1552 PolarHBondContact O-N 3.32Å; L1552-A1554 VanDerWaalsContact C-N 3.34Å; L1552-A1554 PolarHBondContact O-N 2.91Å; L1552-L1555 PolarHBondContact O-N 2.97Å; L1552-L1556 HydrophobicContact CD1-CD1 4.35Å; L1552-L1556 HydrophobicContact CD1-CG 4.31Å; L1552-L1556 HydrophobicContact CG-CD1 3.97Å; L1552-L1556 HydrophobicContact CG-CG 4.39Å; L1552-L1556 WeakPolarHBondContact O-CB 3.49Å; L1552-L1556 WeakPolarHBondContact O-CG 3.36Å; L1552-L1556 PolarHBondContact O-N 2.86Å; L1552-A1565 HydrophobicContact CD1-CB 4.25Å; L1552-I1566 HydrophobicContact CD1-CG1 4.07Å; L1552-V1569 HydrophobicContact CB-CG2 4.28Å; L1552-V1569 HydrophobicContact CD1-CG2 4.2Å; L1552-V1569 HydrophobicContact CD2-CB 4.41Å; L1552-V1569 HydrophobicContact CD2-CG1 4.33Å; L1552-V1569 HydrophobicContact CD2-CG2 4.24Å; L1552-V1569 HydrophobicContact CG-CG2 4.48Å; L1552-E1587 HydrophobicContact CB-CB 4.41Å; L1552-E1587 WeakPolarHBondContact CB-OE2 3.49Å; L1552-E1587 HydrophobicContact CD2-CB 4.25Å; L1552-V1591 HydrophobicContact CD2-CG2 3.58Å; L1552-V1591 HydrophobicContact CG-CG2 4.08Å |
| 1553 | N | 53.6 | Low | 49.7 | Very low | 50 Ų | 50 | 96.1 Ų | 96.1 | 27% | 0.267 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73 | -23 | 177.7 | -94.7 | -39.6 | 0 | 0 | 0 | 113.9 | P1550 V1551 R1557 | P1550-N1553 HydrophobicContact CB-CB 4.17Å; P1550-N1553 PolarHBondContact O-N 3.01Å; V1551-N1553 VanDerWaalsContact C-N 3.33Å; V1551-N1553 PolarHBondContact O-N 2.83Å; N1553-R1557 WeakPolarHBondContact O-CD 3.2Å; N1553-R1557 WeakPolarHBondContact O-CG 3.28Å |
| 1554 | A | 55.5 | Low | 51 | Low | 47 Ų | 47 | 97.9 Ų | 97.9 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75 | -50.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1550 V1551 L1552 L1556 R1557 T1558 | P1550-A1554 PolarHBondContact O-N 2.87Å; V1551-A1554 PolarHBondContact O-N 3.44Å; L1552-A1554 VanDerWaalsContact C-N 3.34Å; L1552-A1554 PolarHBondContact O-N 2.91Å; A1554-L1556 VanDerWaalsContact C-N 3.34Å; A1554-L1556 PolarHBondContact O-N 3.47Å; A1554-R1557 WeakPolarHBondContact O-CB 3.28Å; A1554-R1557 PolarHBondContact O-N 3.47Å; A1554-T1558 PolarHBondContact O-N 3.27Å; A1554-T1558 PolarHBondContact O-OG1 3.16Å |
| 1555 | L | 53.1 | Low | 52.5 | Low | 51 Ų | 51 | 88.8 Ų | 88.8 | 27% | 0.267 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | -178.5 | -67.4 | 173.2 | 0 | 0 | 0 | 112.8 | V1551 L1552 R1557 T1558 S1559 A1565 M1568 | V1551-L1555 HydrophobicContact CG1-CD1 3.81Å; V1551-L1555 HydrophobicContact CG1-CG 4.28Å; V1551-L1555 WeakPolarHBondContact O-CG 3.28Å; V1551-L1555 PolarHBondContact O-N 3.49Å; L1552-L1555 PolarHBondContact O-N 2.97Å; L1555-R1557 PolarHBondContact O-N 2.68Å; L1555-R1557 VanDerWaalsContact O-N 3.13Å; L1555-T1558 PolarHBondContact O-N 3.46Å; L1555-S1559 PolarHBondContact O-N 3.29Å; L1555-S1559 PolarHBondContact O-OG 3.26Å; L1555-A1565 HydrophobicContact CB-CB 3.92Å; L1555-A1565 HydrophobicContact CD1-CB 3.65Å; L1555-A1565 HydrophobicContact CG-CB 4.39Å; L1555-M1568 HydrophobicContact CD1-CE 4.33Å |
| 1556 | L | 52.9 | Low | 54.4 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 9% | 0.089 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67.1 | -2 | 173.1 | -73.3 | 173 | 0 | 0 | 0 | 114.9 | L1552 A1554 T1562 V1591 K1596 L1599 | L1552-L1556 HydrophobicContact CD1-CD1 4.35Å; L1552-L1556 HydrophobicContact CD1-CG 4.31Å; L1552-L1556 HydrophobicContact CG-CD1 3.97Å; L1552-L1556 HydrophobicContact CG-CG 4.39Å; L1552-L1556 WeakPolarHBondContact O-CB 3.49Å; L1552-L1556 WeakPolarHBondContact O-CG 3.36Å; L1552-L1556 PolarHBondContact O-N 2.86Å; A1554-L1556 VanDerWaalsContact C-N 3.34Å; A1554-L1556 PolarHBondContact O-N 3.47Å; L1556-T1562 HydrophobicContact CD2-CG2 4.03Å; L1556-V1591 HydrophobicContact CD1-CG2 3.86Å; L1556-K1596 PolarHBondContact O-NZ 3.2Å; L1556-L1599 HydrophobicContact CD2-CD1 3.61Å |
| 1557 | R | 54 | Low | 56.4 | Low | 209 Ų | 209 | 79.5 Ų | 79.5 | 79% | 0.789 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -112.8 | -22.6 | 174.8 | -70.6 | 179.4 | 178.2 | -138 | -2.1 | 114 | N1553 A1554 L1555 | N1553-R1557 WeakPolarHBondContact O-CD 3.2Å; N1553-R1557 WeakPolarHBondContact O-CG 3.28Å; A1554-R1557 WeakPolarHBondContact O-CB 3.28Å; A1554-R1557 PolarHBondContact O-N 3.47Å; L1555-R1557 PolarHBondContact O-N 2.68Å; L1555-R1557 VanDerWaalsContact O-N 3.13Å |
| 1558 | T | 46.8 | Very low | 58.5 | Low | 119 Ų | 119 | 77.3 Ų | 77.3 | 73% | 0.73 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -134.9 | 8.6 | -165.2 | 66.8 | 0 | 0 | 0 | 0 | 116.4 | A1554 L1555 | A1554-T1558 PolarHBondContact O-N 3.27Å; A1554-T1558 PolarHBondContact O-OG1 3.16Å; L1555-T1558 PolarHBondContact O-N 3.46Å |
| 1559 | S | 40.7 | Very low | 60.8 | Low | 39 Ų | 39 | 67.3 Ų | 67.3 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | trans | -141 | 146.1 | -177.4 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | L1555 | L1555-S1559 PolarHBondContact O-N 3.29Å; L1555-S1559 PolarHBondContact O-OG 3.26Å | ||
| 1560 | P | 53.9 | Low | 62.9 | Low | 126 Ų | 126 | 59 Ų | 59 | 82% | 0.818 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -67.3 | -32.9 | 173.1 | -22 | 34.6 | 0 | 0 | 0 | 113.8 | T1562 | P1560-T1562 PolarHBondContact O-N 3.37Š|
| 1561 | D | 59.4 | Low | 64.6 | Low | 116 Ų | 116 | 61.3 Ų | 61.3 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | trans | -79.1 | 42.1 | -171.6 | -77.7 | -50.2 | 0 | 0 | 0 | 114.8 | A1563 S1564 A1565 | D1561-A1563 PolarHBondContact O-N 3.3Å; D1561-S1564 WeakPolarHBondContact O-CB 3.19Å; D1561-S1564 PolarHBondContact O-N 3.26Å; D1561-A1565 PolarHBondContact O-N 3.1Å | ||
| 1562 | T | 68.2 | Low | 66.1 | Low | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.6 | -34 | 179.9 | 54 | 0 | 0 | 0 | 0 | 113.5 | L1556 P1560 I1566 | L1556-T1562 HydrophobicContact CD2-CG2 4.03Å; P1560-T1562 PolarHBondContact O-N 3.37Å; T1562-I1566 VanDerWaalsContact O-CG1 3.3Å; T1562-I1566 WeakPolarHBondContact O-CG1 3.46Å; T1562-I1566 PolarHBondContact O-N 3.01Å |
| 1563 | A | 67.9 | Low | 67.7 | Low | 59 Ų | 59 | 59 Ų | 59 | 49% | 0.488 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1561 T1567 | D1561-A1563 PolarHBondContact O-N 3.3Å; A1563-T1567 WeakPolarHBondContact O-CB 3.41Å; A1563-T1567 PolarHBondContact O-N 2.67Å; A1563-T1567 PolarHBondContact O-OG1 3.22Å |
| 1564 | S | 71.1 | Confident | 69.1 | Low | 75 Ų | 75 | 58.6 Ų | 58.6 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 174.9 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | D1561 I1566 T1567 M1568 | D1561-S1564 WeakPolarHBondContact O-CB 3.19Å; D1561-S1564 PolarHBondContact O-N 3.26Å; S1564-I1566 PolarHBondContact O-N 3.2Å; S1564-T1567 PolarHBondContact O-N 2.77Å; S1564-T1567 VanDerWaalsContact O-N 3.17Å; S1564-M1568 PolarHBondContact O-N 2.91Å |
| 1565 | A | 74.3 | Confident | 70.4 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1552 L1555 D1561 M1568 V1569 | L1552-A1565 HydrophobicContact CD1-CB 4.25Å; L1555-A1565 HydrophobicContact CB-CB 3.92Å; L1555-A1565 HydrophobicContact CD1-CB 3.65Å; L1555-A1565 HydrophobicContact CG-CB 4.39Å; D1561-A1565 PolarHBondContact O-N 3.1Å; A1565-M1568 PolarHBondContact O-N 3.12Å; A1565-V1569 WeakPolarHBondContact O-CG2 3.3Å; A1565-V1569 PolarHBondContact O-N 3.47Å |
| 1566 | I | 80.4 | Confident | 71.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 174.5 | -71.4 | 166.6 | 0 | 0 | 0 | 110.5 | L1552 T1562 S1564 M1568 V1569 V1570 L1599 L1600 H1603 | L1552-I1566 HydrophobicContact CD1-CG1 4.07Å; T1562-I1566 VanDerWaalsContact O-CG1 3.3Å; T1562-I1566 WeakPolarHBondContact O-CG1 3.46Å; T1562-I1566 PolarHBondContact O-N 3.01Å; S1564-I1566 PolarHBondContact O-N 3.2Å; I1566-M1568 VanDerWaalsContact C-N 3.29Å; I1566-M1568 PolarHBondContact O-N 3.08Å; I1566-V1569 PolarHBondContact O-N 3.01Å; I1566-V1569 VanDerWaalsContact O-N 3.12Å; I1566-V1570 HydrophobicContact CG2-CG2 4.11Å; I1566-V1570 VanDerWaalsContact O-CG2 3.3Å; I1566-V1570 WeakPolarHBondContact O-CG2 3.38Å; I1566-V1570 PolarHBondContact O-N 3.28Å; I1566-L1599 HydrophobicContact CD1-CB 3.69Å; I1566-L1599 HydrophobicContact CD1-CD1 4.48Å; I1566-L1600 HydrophobicContact CG2-CD2 3.76Å; I1566-H1603 HydrophobicContact CG2-CB 4.46Å |
| 1567 | T | 80.1 | Confident | 72.9 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.9 | -40.9 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 112 | A1563 S1564 V1570 T1571 H1603 | A1563-T1567 WeakPolarHBondContact O-CB 3.41Å; A1563-T1567 PolarHBondContact O-N 2.67Å; A1563-T1567 PolarHBondContact O-OG1 3.22Å; S1564-T1567 PolarHBondContact O-N 2.77Å; S1564-T1567 VanDerWaalsContact O-N 3.17Å; T1567-V1570 PolarHBondContact O-N 3.3Å; T1567-T1571 PolarHBondContact O-N 3.3Å; T1567-T1571 PolarHBondContact O-OG1 2.99Å; T1567-H1603 PolarHBondContact OG1-CE1 2.75Å; T1567-H1603 VanDerWaalsContact OG1-CE1 3.29Å |
| 1568 | M | 80.1 | Confident | 74.2 | Confident | 104 Ų | 104 | 55.2 Ų | 55.2 | 51% | 0.512 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.5 | -175.3 | -175 | 70.9 | 0 | 0 | 113.1 | L1555 S1564 A1565 I1566 T1571 A1572 | L1555-M1568 HydrophobicContact CD1-CE 4.33Å; S1564-M1568 PolarHBondContact O-N 2.91Å; A1565-M1568 PolarHBondContact O-N 3.12Å; I1566-M1568 VanDerWaalsContact C-N 3.29Å; I1566-M1568 PolarHBondContact O-N 3.08Å; M1568-T1571 PolarHBondContact O-OG1 3.27Å; M1568-T1571 VanDerWaalsContact O-OG1 3.12Å; M1568-A1572 PolarHBondContact O-N 3.02Å |
| 1569 | V | 84.2 | Confident | 75.7 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.4 | -35.4 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 111 | L1552 A1565 I1566 A1572 A1584 E1587 I1588 | L1552-V1569 HydrophobicContact CB-CG2 4.28Å; L1552-V1569 HydrophobicContact CD1-CG2 4.2Å; L1552-V1569 HydrophobicContact CD2-CB 4.41Å; L1552-V1569 HydrophobicContact CD2-CG1 4.33Å; L1552-V1569 HydrophobicContact CD2-CG2 4.24Å; L1552-V1569 HydrophobicContact CG-CG2 4.48Å; A1565-V1569 WeakPolarHBondContact O-CG2 3.3Å; A1565-V1569 PolarHBondContact O-N 3.47Å; I1566-V1569 PolarHBondContact O-N 3.01Å; I1566-V1569 VanDerWaalsContact O-N 3.12Å; V1569-A1572 WeakPolarHBondContact O-CB 3.29Å; V1569-A1572 PolarHBondContact O-N 3.02Å; V1569-A1584 HydrophobicContact CG1-CB 4.26Å; V1569-E1587 HydrophobicContact CG1-CB 3.93Å; V1569-E1587 WeakPolarHBondContact CG2-OE2 3.5Å; V1569-I1588 HydrophobicContact CG1-CD1 4.17Å; V1569-I1588 HydrophobicContact CG1-CG1 3.91Å |
| 1570 | V | 85.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | I1566 T1567 A1572 I1573 I1588 H1603 Q1606 V1607 L1610 | I1566-V1570 HydrophobicContact CG2-CG2 4.11Å; I1566-V1570 VanDerWaalsContact O-CG2 3.3Å; I1566-V1570 WeakPolarHBondContact O-CG2 3.38Å; I1566-V1570 PolarHBondContact O-N 3.28Å; T1567-V1570 PolarHBondContact O-N 3.3Å; V1570-A1572 VanDerWaalsContact C-N 3.28Å; V1570-A1572 PolarHBondContact O-N 3.39Å; V1570-I1573 WeakPolarHBondContact O-CB 3.37Å; V1570-I1573 WeakPolarHBondContact O-CD1 3.4Å; V1570-I1573 VanDerWaalsContact O-CG1 3.25Å; V1570-I1573 WeakPolarHBondContact O-CG1 3.21Å; V1570-I1573 PolarHBondContact O-N 3.48Å; V1570-I1588 HydrophobicContact CG2-CD1 4.03Å; V1570-H1603 HydrophobicContact CG2-CB 4.42Å; V1570-Q1606 HydrophobicContact CG1-CB 3.91Å; V1570-V1607 HydrophobicContact CB-CG2 4.45Å; V1570-V1607 HydrophobicContact CG1-CG2 3.95Å; V1570-V1607 HydrophobicContact CG2-CG2 3.67Å; V1570-L1610 HydrophobicContact CG1-CD1 3.84Å; V1570-L1610 WeakPolarHBondContact O-CD1 3.49Å |
| 1571 | T | 85.1 | Confident | 79.1 | Confident | 78 Ų | 78 | 52 Ų | 52 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.3 | -23.4 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | T1567 M1568 I1573 S1574 | T1567-T1571 PolarHBondContact O-N 3.3Å; T1567-T1571 PolarHBondContact O-OG1 2.99Å; M1568-T1571 PolarHBondContact O-OG1 3.27Å; M1568-T1571 VanDerWaalsContact O-OG1 3.12Å; T1571-I1573 PolarHBondContact O-N 3.39Å; T1571-S1574 PolarHBondContact O-N 2.97Å; T1571-S1574 PolarHBondContact O-OG 3Å |
| 1572 | A | 87 | Confident | 80.3 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.4 | -20.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1568 V1569 V1570 S1574 S1575 I1580 A1584 | M1568-A1572 PolarHBondContact O-N 3.02Å; V1569-A1572 WeakPolarHBondContact O-CB 3.29Å; V1569-A1572 PolarHBondContact O-N 3.02Å; V1570-A1572 VanDerWaalsContact C-N 3.28Å; V1570-A1572 PolarHBondContact O-N 3.39Å; A1572-S1574 PolarHBondContact O-N 3.17Å; A1572-S1575 WeakPolarHBondContact O-CB 3.41Å; A1572-S1575 PolarHBondContact O-N 3.08Å; A1572-S1575 VanDerWaalsContact O-N 3.13Å; A1572-I1580 HydrophobicContact CB-CG2 4.38Å; A1572-A1584 HydrophobicContact CB-CB 3.71Å |
| 1573 | I | 88 | Confident | 80.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -38.2 | 171.3 | -56.7 | 169.8 | 0 | 0 | 0 | 110.7 | V1570 T1571 S1575 S1581 A1584 L1585 I1588 V1607 L1610 I1611 Q1614 | V1570-I1573 WeakPolarHBondContact O-CB 3.37Å; V1570-I1573 WeakPolarHBondContact O-CD1 3.4Å; V1570-I1573 VanDerWaalsContact O-CG1 3.25Å; V1570-I1573 WeakPolarHBondContact O-CG1 3.21Å; V1570-I1573 PolarHBondContact O-N 3.48Å; T1571-I1573 PolarHBondContact O-N 3.39Å; I1573-S1575 PolarHBondContact O-N 3.08Å; I1573-S1581 PolarHBondContact O-OG 2.96Å; I1573-A1584 HydrophobicContact CG1-CB 4.28Å; I1573-L1585 HydrophobicContact CD1-CD2 4.23Å; I1573-L1585 HydrophobicContact CG1-CD2 4.12Å; I1573-L1585 HydrophobicContact CG1-CG 4.46Å; I1573-L1585 HydrophobicContact CG2-CD2 4.08Å; I1573-L1585 HydrophobicContact CG2-CG 4.46Å; I1573-I1588 HydrophobicContact CD1-CD1 3.66Å; I1573-I1588 HydrophobicContact CG1-CD1 4.05Å; I1573-V1607 HydrophobicContact CD1-CG1 4.28Å; I1573-L1610 HydrophobicContact CB-CB 4.08Å; I1573-L1610 HydrophobicContact CD1-CB 4.38Å; I1573-L1610 HydrophobicContact CG2-CB 3.94Å; I1573-I1611 HydrophobicContact CG2-CG1 4.18Å; I1573-Q1614 HydrophobicContact CG2-CG 4.39Å; I1573-Q1614 PolarHBondContact O-NE2 3.49Å |
| 1574 | S | 83.9 | Confident | 81.7 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 6 | -179.9 | 15.6 | 0 | 0 | 0 | 0 | 115.2 | T1571 A1572 | T1571-S1574 PolarHBondContact O-N 2.97Å; T1571-S1574 PolarHBondContact O-OG 3Å; A1572-S1574 PolarHBondContact O-N 3.17Å |
| 1575 | S | 82.3 | Confident | 82.5 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | trans | -60 | 141.8 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | A1572 I1573 D1577 Q1614 | A1572-S1575 WeakPolarHBondContact O-CB 3.41Å; A1572-S1575 PolarHBondContact O-N 3.08Å; A1572-S1575 VanDerWaalsContact O-N 3.13Å; I1573-S1575 PolarHBondContact O-N 3.08Å; S1575-D1577 PolarHBondContact OG-N 3.4Å; S1575-D1577 VanDerWaalsContact OG-N 3.11Å; S1575-Q1614 PolarHBondContact O-NE2 3.02Å | ||
| 1576 | N | 78.5 | Confident | 82.9 | Confident | 115 Ų | 115 | 43.7 Ų | 43.7 | 62% | 0.615 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -74.6 | -15.5 | 168.2 | -65.3 | -53.4 | 0 | 0 | 0 | 112.1 | ||
| 1577 | D | 80.5 | Confident | 83.1 | Confident | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -81.7 | 113.3 | 170.3 | -178.6 | -24.5 | 0 | 0 | 0 | 109.1 | S1575 L1579 I1580 S1581 | S1575-D1577 PolarHBondContact OG-N 3.4Å; S1575-D1577 VanDerWaalsContact OG-N 3.11Å; D1577-L1579 PolarHBondContact O-N 3.35Å; D1577-L1579 WeakPolarHBondContact OD1-CA 3.45Å; D1577-L1579 VanDerWaalsContact OD1-CB 3.3Å; D1577-L1579 WeakPolarHBondContact OD1-CB 3.5Å; D1577-L1579 PolarHBondContact OD1-N 2.83Å; D1577-I1580 HydrophobicContact CB-CB 4.11Å; D1577-I1580 HydrophobicContact CB-CD1 3.9Å; D1577-I1580 HydrophobicContact CB-CG1 3.99Å; D1577-I1580 PolarHBondContact O-N 2.84Å; D1577-I1580 PolarHBondContact OD1-N 3.15Å; D1577-S1581 PolarHBondContact O-N 2.95Å |
| 1578 | L | 80.9 | Confident | 83.4 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -35.5 | -179.9 | -70 | 86.2 | 0 | 0 | 0 | 112.2 | S1581 C1582 V1628 L1636 | L1578-S1581 PolarHBondContact O-N 3.36Å; L1578-C1582 WeakPolarHBondContact O-CB 3.41Å; L1578-C1582 PolarHBondContact O-N 3.11Å; L1578-C1582 PolarHBondContact O-SG 2.91Å; L1578-V1628 HydrophobicContact CD1-CG2 4.4Å; L1578-V1628 HydrophobicContact CD2-CG1 3.71Å; L1578-L1636 HydrophobicContact CD2-CB 4.35Å; L1578-L1636 HydrophobicContact CD2-CD2 3.86Å; L1578-L1636 HydrophobicContact CG-CD2 4.19Å |
| 1579 | L | 77.8 | Confident | 83.6 | Confident | 136 Ų | 136 | 36.7 Ų | 36.7 | 71% | 0.712 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -72.5 | -39.2 | -177.7 | -169 | 69.9 | 0 | 0 | 0 | 111.1 | D1577 C1582 H1583 | D1577-L1579 PolarHBondContact O-N 3.35Å; D1577-L1579 WeakPolarHBondContact OD1-CA 3.45Å; D1577-L1579 VanDerWaalsContact OD1-CB 3.3Å; D1577-L1579 WeakPolarHBondContact OD1-CB 3.5Å; D1577-L1579 PolarHBondContact OD1-N 2.83Å; L1579-C1582 PolarHBondContact O-N 2.87Å; L1579-H1583 WeakPolarHBondContact O-CB 3.36Å; L1579-H1583 PolarHBondContact O-N 3.49Å |
| 1580 | I | 81.6 | Confident | 83.5 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 42% | 0.415 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.3 | -64.7 | 178.6 | 0 | 0 | 0 | 110.4 | A1572 D1577 H1583 A1584 | A1572-I1580 HydrophobicContact CB-CG2 4.38Å; D1577-I1580 HydrophobicContact CB-CB 4.11Å; D1577-I1580 HydrophobicContact CB-CD1 3.9Å; D1577-I1580 HydrophobicContact CB-CG1 3.99Å; D1577-I1580 PolarHBondContact O-N 2.84Å; D1577-I1580 PolarHBondContact OD1-N 3.15Å; I1580-H1583 PolarHBondContact O-N 3.21Å; I1580-A1584 PolarHBondContact O-N 3.01Å |
| 1581 | S | 84.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.2 | -167.6 | 0 | 0 | 0 | 0 | 111.5 | I1573 D1577 L1578 H1583 A1584 L1585 | I1573-S1581 PolarHBondContact O-OG 2.96Å; D1577-S1581 PolarHBondContact O-N 2.95Å; L1578-S1581 PolarHBondContact O-N 3.36Å; S1581-H1583 VanDerWaalsContact C-N 3.32Å; S1581-H1583 PolarHBondContact O-N 3.43Å; S1581-A1584 PolarHBondContact O-N 3Å; S1581-L1585 WeakPolarHBondContact O-CD1 3.39Å; S1581-L1585 WeakPolarHBondContact O-CG 3.19Å; S1581-L1585 PolarHBondContact O-N 2.97Å |
| 1582 | C | 83.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 12% | 0.122 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -39.3 | 175.2 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | L1578 L1579 A1586 | L1578-C1582 WeakPolarHBondContact O-CB 3.41Å; L1578-C1582 PolarHBondContact O-N 3.11Å; L1578-C1582 PolarHBondContact O-SG 2.91Å; L1579-C1582 PolarHBondContact O-N 2.87Å; C1582-A1586 WeakPolarHBondContact O-CB 3.48Å; C1582-A1586 PolarHBondContact O-N 2.74Å |
| 1583 | H | 81.1 | Confident | 83.1 | Confident | 94 Ų | 94 | 39.5 Ų | 39.5 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67 | -44.6 | 177.4 | -169.7 | -73.9 | 0 | 0 | 0 | 111.8 | L1579 I1580 S1581 L1585 A1586 E1587 | L1579-H1583 WeakPolarHBondContact O-CB 3.36Å; L1579-H1583 PolarHBondContact O-N 3.49Å; I1580-H1583 PolarHBondContact O-N 3.21Å; S1581-H1583 VanDerWaalsContact C-N 3.32Å; S1581-H1583 PolarHBondContact O-N 3.43Å; H1583-L1585 VanDerWaalsContact C-N 3.32Å; H1583-L1585 PolarHBondContact O-N 3.19Å; H1583-A1586 PolarHBondContact O-N 3.42Å; H1583-E1587 IonicContact CE1-OE1 3.78Å; H1583-E1587 PolarHBondContact CE1-OE1 2.97Å; H1583-E1587 PolarHBondContact O-N 3.18Å |
| 1584 | A | 85.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1569 A1572 I1573 I1580 S1581 E1587 I1588 | V1569-A1584 HydrophobicContact CG1-CB 4.26Å; A1572-A1584 HydrophobicContact CB-CB 3.71Å; I1573-A1584 HydrophobicContact CG1-CB 4.28Å; I1580-A1584 PolarHBondContact O-N 3.01Å; S1581-A1584 PolarHBondContact O-N 3Å; A1584-E1587 PolarHBondContact O-N 3.14Å; A1584-I1588 WeakPolarHBondContact O-CG1 3.41Å; A1584-I1588 PolarHBondContact O-N 2.77Å |
| 1585 | L | 88.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -38.4 | 176 | -68.1 | 162.8 | 0 | 0 | 0 | 112.3 | I1573 S1581 H1583 D1589 I1611 S1639 H1640 T1643 | I1573-L1585 HydrophobicContact CD1-CD2 4.23Å; I1573-L1585 HydrophobicContact CG1-CD2 4.12Å; I1573-L1585 HydrophobicContact CG1-CG 4.46Å; I1573-L1585 HydrophobicContact CG2-CD2 4.08Å; I1573-L1585 HydrophobicContact CG2-CG 4.46Å; S1581-L1585 WeakPolarHBondContact O-CD1 3.39Å; S1581-L1585 WeakPolarHBondContact O-CG 3.19Å; S1581-L1585 PolarHBondContact O-N 2.97Å; H1583-L1585 VanDerWaalsContact C-N 3.32Å; H1583-L1585 PolarHBondContact O-N 3.19Å; L1585-D1589 WeakPolarHBondContact O-CB 3.43Å; L1585-D1589 PolarHBondContact O-N 3.14Å; L1585-I1611 HydrophobicContact CD2-CD1 3.76Å; L1585-I1611 HydrophobicContact CD2-CG1 3.67Å; L1585-S1639 WeakPolarHBondContact CD1-OG 3.38Å; L1585-H1640 VanDerWaalsContact CD1-CE1 3.45Å; L1585-H1640 WeakPolarHBondContact CD1-CE1 3.46Å; L1585-H1640 WeakPolarHBondContact CD1-ND1 3.21Å; L1585-T1643 HydrophobicContact CD2-CG2 4.17Å; L1585-T1643 PolarHBondContact O-OG1 3.4Å |
| 1586 | A | 82.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1543 T1545 C1582 H1583 D1589 T1590 | L1543-A1586 HydrophobicContact CB-CB 4.31Å; L1543-A1586 HydrophobicContact CD1-CB 4.31Å; T1545-A1586 HydrophobicContact CG2-CB 4.15Å; C1582-A1586 WeakPolarHBondContact O-CB 3.48Å; C1582-A1586 PolarHBondContact O-N 2.74Å; H1583-A1586 PolarHBondContact O-N 3.42Å; A1586-D1589 PolarHBondContact O-N 3.29Å; A1586-T1590 WeakPolarHBondContact O-CG2 3.34Å; A1586-T1590 PolarHBondContact O-N 2.92Å |
| 1587 | E | 82.7 | Confident | 82.7 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 174.1 | -68.5 | -156.9 | 149.3 | 0 | 0 | 111.5 | P1550 V1551 L1552 V1569 H1583 A1584 D1589 T1590 V1591 | P1550-E1587 VanDerWaalsContact C-OE1 3.26Å; P1550-E1587 WeakPolarHBondContact CA-OE1 3.41Å; P1550-E1587 HydrophobicContact CB-CG 4.18Å; P1550-E1587 VanDerWaalsContact CB-OE1 3.31Å; P1550-E1587 WeakPolarHBondContact CB-OE1 3.42Å; V1551-E1587 PolarHBondContact N-OE1 2.88Å; L1552-E1587 HydrophobicContact CB-CB 4.41Å; L1552-E1587 WeakPolarHBondContact CB-OE2 3.49Å; L1552-E1587 HydrophobicContact CD2-CB 4.25Å; V1569-E1587 HydrophobicContact CG1-CB 3.93Å; V1569-E1587 WeakPolarHBondContact CG2-OE2 3.5Å; H1583-E1587 IonicContact CE1-OE1 3.78Å; H1583-E1587 PolarHBondContact CE1-OE1 2.97Å; H1583-E1587 PolarHBondContact O-N 3.18Å; A1584-E1587 PolarHBondContact O-N 3.14Å; E1587-D1589 PolarHBondContact O-N 2.87Å; E1587-T1590 PolarHBondContact O-N 2.92Å; E1587-T1590 PolarHBondContact O-OG1 3.42Å; E1587-V1591 PolarHBondContact O-N 3.45Å; E1587-V1591 VanDerWaalsContact O-N 3.11Å |
| 1588 | I | 86.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 176.3 | -68.9 | 166.2 | 0 | 0 | 0 | 111.2 | V1569 V1570 I1573 A1584 T1590 V1591 L1592 L1600 V1607 T1643 | V1569-I1588 HydrophobicContact CG1-CD1 4.17Å; V1569-I1588 HydrophobicContact CG1-CG1 3.91Å; V1570-I1588 HydrophobicContact CG2-CD1 4.03Å; I1573-I1588 HydrophobicContact CD1-CD1 3.66Å; I1573-I1588 HydrophobicContact CG1-CD1 4.05Å; A1584-I1588 WeakPolarHBondContact O-CG1 3.41Å; A1584-I1588 PolarHBondContact O-N 2.77Å; I1588-T1590 VanDerWaalsContact C-N 3.32Å; I1588-T1590 PolarHBondContact O-N 3.27Å; I1588-V1591 PolarHBondContact O-N 3.25Å; I1588-V1591 VanDerWaalsContact O-N 3.17Å; I1588-L1592 HydrophobicContact CG2-CD1 3.94Å; I1588-L1592 HydrophobicContact CG2-CG 4.29Å; I1588-L1592 WeakPolarHBondContact O-CB 3.35Å; I1588-L1592 WeakPolarHBondContact O-CG 3.37Å; I1588-L1592 PolarHBondContact O-N 3.33Å; I1588-L1600 HydrophobicContact CG2-CD1 4.27Å; I1588-V1607 HydrophobicContact CD1-CG2 4.36Å; I1588-V1607 HydrophobicContact CG2-CG1 4.44Å; I1588-T1643 HydrophobicContact CB-CG2 4.44Å; I1588-T1643 HydrophobicContact CG2-CG2 3.85Å |
| 1589 | D | 85.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 175.1 | -174.9 | 70.8 | 0 | 0 | 0 | 111.9 | L1543 L1585 A1586 E1587 L1592 R1593 S1646 | L1543-D1589 HydrophobicContact CD1-CB 4.07Å; L1585-D1589 WeakPolarHBondContact O-CB 3.43Å; L1585-D1589 PolarHBondContact O-N 3.14Å; A1586-D1589 PolarHBondContact O-N 3.29Å; E1587-D1589 PolarHBondContact O-N 2.87Å; D1589-L1592 PolarHBondContact O-N 3.42Å; D1589-R1593 VanDerWaalsContact CG-NH2 3.33Å; D1589-R1593 VanDerWaalsContact O-CG 3.29Å; D1589-R1593 WeakPolarHBondContact O-CG 3.36Å; D1589-R1593 PolarHBondContact O-N 3.04Å; D1589-R1593 IonicContact OD1-CZ 2.71Å; D1589-R1593 IonicContact OD1-NE 2.71Å; D1589-R1593 IonicContact OD1-NH2 2.78Å; D1589-R1593 PolarHBondContact OD1-NH2 3.03Å; D1589-R1593 VanDerWaalsContact OD1-NH2 3.09Å; D1589-R1593 IonicContact OD2-CZ 2.61Å; D1589-R1593 IonicContact OD2-NE 2.72Å; D1589-R1593 PolarHBondContact OD2-NE 3.24Å; D1589-R1593 IonicContact OD2-NH2 3.26Å; D1589-R1593 PolarHBondContact OD2-NH2 3.29Å; D1589-S1646 VanDerWaalsContact OD1-CB 3.27Å; D1589-S1646 WeakPolarHBondContact OD1-CB 3.41Å |
| 1590 | T | 81.3 | Confident | 83.1 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 172 | 60.8 | 0 | 0 | 0 | 0 | 113 | A1586 E1587 I1588 R1593 D1594 | A1586-T1590 WeakPolarHBondContact O-CG2 3.34Å; A1586-T1590 PolarHBondContact O-N 2.92Å; E1587-T1590 PolarHBondContact O-N 2.92Å; E1587-T1590 PolarHBondContact O-OG1 3.42Å; I1588-T1590 VanDerWaalsContact C-N 3.32Å; I1588-T1590 PolarHBondContact O-N 3.27Å; T1590-R1593 PolarHBondContact O-N 3.03Å; T1590-D1594 PolarHBondContact O-N 3.39Å |
| 1591 | V | 82.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.9 | -30.4 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | L1552 L1556 E1587 I1588 R1593 D1594 W1597 L1600 | L1552-V1591 HydrophobicContact CD2-CG2 3.58Å; L1552-V1591 HydrophobicContact CG-CG2 4.08Å; L1556-V1591 HydrophobicContact CD1-CG2 3.86Å; E1587-V1591 PolarHBondContact O-N 3.45Å; E1587-V1591 VanDerWaalsContact O-N 3.11Å; I1588-V1591 PolarHBondContact O-N 3.25Å; I1588-V1591 VanDerWaalsContact O-N 3.17Å; V1591-R1593 VanDerWaalsContact C-N 3.28Å; V1591-R1593 PolarHBondContact O-N 2.81Å; V1591-D1594 PolarHBondContact O-N 3.48Å; V1591-W1597 VanDerWaalsContact O-CA 3.31Å; V1591-W1597 WeakPolarHBondContact O-CA 3.42Å; V1591-W1597 PolarHBondContact O-N 3.14Å; V1591-L1600 HydrophobicContact CB-CD1 4.19Å; V1591-L1600 HydrophobicContact CG1-CD1 3.8Å; V1591-L1600 HydrophobicContact CG1-CG 4Å |
| 1592 | L | 85 | Confident | 83.3 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.7 | -27 | 170.5 | -73.1 | 169.5 | 0 | 0 | 0 | 112.3 | I1588 D1589 L1600 T1643 S1646 L1647 R1650 L1653 | I1588-L1592 HydrophobicContact CG2-CD1 3.94Å; I1588-L1592 HydrophobicContact CG2-CG 4.29Å; I1588-L1592 WeakPolarHBondContact O-CB 3.35Å; I1588-L1592 WeakPolarHBondContact O-CG 3.37Å; I1588-L1592 PolarHBondContact O-N 3.33Å; D1589-L1592 PolarHBondContact O-N 3.42Å; L1592-L1600 HydrophobicContact CD2-CD1 3.57Å; L1592-L1600 HydrophobicContact CG-CD1 3.66Å; L1592-T1643 HydrophobicContact CD1-CG2 4.02Å; L1592-S1646 WeakPolarHBondContact CB-OG 3.45Å; L1592-L1647 HydrophobicContact CD1-CB 4.05Å; L1592-L1647 HydrophobicContact CD2-CB 4.32Å; L1592-L1647 HydrophobicContact CD2-CG 4.46Å; L1592-R1650 PolarHBondContact O-NE 3.41Å; L1592-R1650 PolarHBondContact O-NH2 2.7Å; L1592-L1653 HydrophobicContact CD2-CD1 3.4Å |
| 1593 | R | 81.3 | Confident | 83.5 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -84.9 | -30.4 | 174.4 | -67.5 | 172.9 | -159.7 | -96.3 | -7 | 113.2 | D1589 T1590 V1591 R1650 | D1589-R1593 VanDerWaalsContact CG-NH2 3.33Å; D1589-R1593 VanDerWaalsContact O-CG 3.29Å; D1589-R1593 WeakPolarHBondContact O-CG 3.36Å; D1589-R1593 PolarHBondContact O-N 3.04Å; D1589-R1593 IonicContact OD1-CZ 2.71Å; D1589-R1593 IonicContact OD1-NE 2.71Å; D1589-R1593 IonicContact OD1-NH2 2.78Å; D1589-R1593 PolarHBondContact OD1-NH2 3.03Å; D1589-R1593 VanDerWaalsContact OD1-NH2 3.09Å; D1589-R1593 IonicContact OD2-CZ 2.61Å; D1589-R1593 IonicContact OD2-NE 2.72Å; D1589-R1593 PolarHBondContact OD2-NE 3.24Å; D1589-R1593 IonicContact OD2-NH2 3.26Å; D1589-R1593 PolarHBondContact OD2-NH2 3.29Å; T1590-R1593 PolarHBondContact O-N 3.03Å; V1591-R1593 VanDerWaalsContact C-N 3.28Å; V1591-R1593 PolarHBondContact O-N 2.81Å; R1593-R1650 PolarHBondContact O-NH2 3.44Å |
| 1594 | D | 81 | Confident | 84 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 34% | 0.337 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -60.9 | 163.3 | 174.8 | -161.6 | -73.6 | 0 | 0 | 0 | 112.6 | T1590 V1591 K1596 R1650 | T1590-D1594 PolarHBondContact O-N 3.39Å; V1591-D1594 PolarHBondContact O-N 3.48Å; D1594-K1596 PolarHBondContact O-N 3.28Å; D1594-K1596 WeakPolarHBondContact OD1-CB 3.26Å; D1594-K1596 WeakPolarHBondContact OD1-CG 3.43Å; D1594-K1596 PolarHBondContact OD1-N 2.87Å; D1594-R1650 PolarHBondContact O-NH2 3.44Å |
| 1595 | E | 77.7 | Confident | 84.3 | Confident | 172 Ų | 172 | 49.3 Ų | 49.3 | 80% | 0.804 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -69.5 | -23.3 | 171.1 | -61.6 | -170 | 154.8 | 0 | 0 | 112 | W1597 Y1598 | E1595-W1597 PolarHBondContact O-N 3.4Å; E1595-W1597 PolarHBondContact O-NE1 2.95Å; E1595-Y1598 WeakPolarHBondContact O-CD1 3.5Å |
| 1596 | K | 80.6 | Confident | 84.4 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 34% | 0.335 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -76.8 | 8.1 | 176.9 | -66.3 | 179.3 | 177.4 | -177.8 | 0 | 115.2 | L1556 D1594 Y1598 L1599 | L1556-K1596 PolarHBondContact O-NZ 3.2Å; D1594-K1596 PolarHBondContact O-N 3.28Å; D1594-K1596 WeakPolarHBondContact OD1-CB 3.26Å; D1594-K1596 WeakPolarHBondContact OD1-CG 3.43Å; D1594-K1596 PolarHBondContact OD1-N 2.87Å; K1596-Y1598 PolarHBondContact O-N 3.5Å; K1596-L1599 HydrophobicContact CB-CD1 4.07Å; K1596-L1599 WeakPolarHBondContact O-CB 3.31Å; K1596-L1599 WeakPolarHBondContact O-CG 3.42Å; K1596-L1599 PolarHBondContact O-N 2.87Å |
| 1597 | W | 84.8 | Confident | 84.9 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 22% | 0.216 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -47.1 | -28.3 | 177.1 | 65.2 | -86.8 | 0 | 0 | 0 | 114.6 | V1591 E1595 L1599 L1600 R1650 T1652 L1653 | V1591-W1597 VanDerWaalsContact O-CA 3.31Å; V1591-W1597 WeakPolarHBondContact O-CA 3.42Å; V1591-W1597 PolarHBondContact O-N 3.14Å; E1595-W1597 PolarHBondContact O-N 3.4Å; E1595-W1597 PolarHBondContact O-NE1 2.95Å; W1597-L1599 PolarHBondContact O-N 2.97Å; W1597-L1600 WeakPolarHBondContact O-CB 3.33Å; W1597-L1600 PolarHBondContact O-N 2.94Å; W1597-R1650 VanDerWaalsContact CG-CZ 3.46Å; W1597-T1652 HydrophobicContact CH2-CG2 4.19Å; W1597-T1652 VanDerWaalsContact CH2-OG1 3.32Å; W1597-T1652 WeakPolarHBondContact CH2-OG1 3.11Å; W1597-T1652 WeakPolarHBondContact CZ3-OG1 3.28Å; W1597-L1653 HydrophobicContact CE3-CD1 4.05Å; W1597-L1653 HydrophobicContact CE3-CD2 3.93Å; W1597-L1653 HydrophobicContact CE3-CG 3.88Å; W1597-L1653 HydrophobicContact CZ3-CD2 4.05Å; W1597-L1653 HydrophobicContact CZ3-CG 4.09Å |
| 1598 | Y | 81.7 | Confident | 85.4 | Confident | 132 Ų | 132 | 53 Ų | 53 | 52% | 0.518 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -62.7 | -21.2 | 179.9 | 61.8 | -96.9 | 0 | 0 | 0 | 113.4 | E1595 K1596 L1600 L1601 | E1595-Y1598 WeakPolarHBondContact O-CD1 3.5Å; K1596-Y1598 PolarHBondContact O-N 3.5Å; Y1598-L1600 PolarHBondContact O-N 3.33Å; Y1598-L1601 WeakPolarHBondContact O-CB 3.46Å; Y1598-L1601 PolarHBondContact O-N 2.91Å |
| 1599 | L | 82.4 | Confident | 85.8 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -63.5 | -22.1 | 173.7 | -62 | 175.7 | 0 | 0 | 0 | 112.7 | L1556 I1566 K1596 W1597 | L1556-L1599 HydrophobicContact CD2-CD1 3.61Å; I1566-L1599 HydrophobicContact CD1-CB 3.69Å; I1566-L1599 HydrophobicContact CD1-CD1 4.48Å; K1596-L1599 HydrophobicContact CB-CD1 4.07Å; K1596-L1599 WeakPolarHBondContact O-CB 3.31Å; K1596-L1599 WeakPolarHBondContact O-CG 3.42Å; K1596-L1599 PolarHBondContact O-N 2.87Å; W1597-L1599 PolarHBondContact O-N 2.97Å |
| 1600 | L | 85.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -84.9 | -5.2 | 179 | -63.7 | 172.7 | 0 | 0 | 0 | 113.8 | I1566 I1588 V1591 L1592 W1597 Y1598 N1602 H1603 V1604 | I1566-L1600 HydrophobicContact CG2-CD2 3.76Å; I1588-L1600 HydrophobicContact CG2-CD1 4.27Å; V1591-L1600 HydrophobicContact CB-CD1 4.19Å; V1591-L1600 HydrophobicContact CG1-CD1 3.8Å; V1591-L1600 HydrophobicContact CG1-CG 4Å; L1592-L1600 HydrophobicContact CD2-CD1 3.57Å; L1592-L1600 HydrophobicContact CG-CD1 3.66Å; W1597-L1600 WeakPolarHBondContact O-CB 3.33Å; W1597-L1600 PolarHBondContact O-N 2.94Å; Y1598-L1600 PolarHBondContact O-N 3.33Å; L1600-N1602 VanDerWaalsContact C-N 3.31Å; L1600-N1602 PolarHBondContact O-N 2.96Å; L1600-H1603 CarbonylContact O-C 3.58Å; L1600-H1603 WeakPolarHBondContact O-CA 3.24Å; L1600-H1603 PolarHBondContact O-N 2.73Å; L1600-V1604 PolarHBondContact O-N 3.22Å; L1600-V1604 VanDerWaalsContact O-N 3.12Å |
| 1601 | L | 83.7 | Confident | 86.7 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 36% | 0.356 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -52.1 | -47 | -174.4 | -168.9 | 82.2 | 0 | 0 | 0 | 112.5 | Y1598 H1603 L1653 | Y1598-L1601 WeakPolarHBondContact O-CB 3.46Å; Y1598-L1601 PolarHBondContact O-N 2.91Å; L1601-H1603 PolarHBondContact O-N 2.84Å; L1601-L1653 HydrophobicContact CD1-CD2 4.15Å |
| 1602 | N | 85.5 | Confident | 87.2 | Confident | 142 Ų | 142 | 55.2 Ų | 55.2 | 76% | 0.759 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -73.4 | -14.9 | -179.4 | -64.2 | -15.6 | 0 | 0 | 0 | 113.4 | L1600 | L1600-N1602 VanDerWaalsContact C-N 3.31Å; L1600-N1602 PolarHBondContact O-N 2.96Å |
| 1603 | H | 87.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -105.1 | -7.1 | -175 | -63 | -77.5 | 0 | 0 | 0 | 113.7 | I1566 T1567 V1570 L1600 L1601 N1605 Q1606 V1607 | I1566-H1603 HydrophobicContact CG2-CB 4.46Å; T1567-H1603 PolarHBondContact OG1-CE1 2.75Å; T1567-H1603 VanDerWaalsContact OG1-CE1 3.29Å; V1570-H1603 HydrophobicContact CG2-CB 4.42Å; L1600-H1603 CarbonylContact O-C 3.58Å; L1600-H1603 WeakPolarHBondContact O-CA 3.24Å; L1600-H1603 PolarHBondContact O-N 2.73Å; L1601-H1603 PolarHBondContact O-N 2.84Å; H1603-N1605 VanDerWaalsContact C-N 3.26Å; H1603-N1605 PolarHBondContact O-N 3.1Å; H1603-N1605 VanDerWaalsContact O-N 3.14Å; H1603-Q1606 PolarHBondContact ND1-OE1 2.98Å; H1603-Q1606 WeakPolarHBondContact O-CB 3.48Å; H1603-Q1606 PolarHBondContact O-N 3.37Å; H1603-V1607 PolarHBondContact O-N 3.43Å |
| 1604 | V | 91.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -45.1 | -49.4 | 179.8 | 168.2 | 0 | 0 | 0 | 0 | 112.4 | L1600 Q1606 L1608 L1647 L1653 A1657 | L1600-V1604 PolarHBondContact O-N 3.22Å; L1600-V1604 VanDerWaalsContact O-N 3.12Å; V1604-Q1606 VanDerWaalsContact C-N 3.34Å; V1604-Q1606 PolarHBondContact O-N 3.02Å; V1604-L1608 HydrophobicContact CG1-CD1 3.91Å; V1604-L1608 WeakPolarHBondContact O-CB 3.37Å; V1604-L1608 WeakPolarHBondContact O-CG 3.39Å; V1604-L1608 PolarHBondContact O-N 3.18Å; V1604-L1647 HydrophobicContact CG1-CD1 4.36Å; V1604-L1647 HydrophobicContact CG1-CD2 4.17Å; V1604-L1647 HydrophobicContact CG2-CD1 4.5Å; V1604-L1653 HydrophobicContact CG2-CB 4.04Å; V1604-L1653 HydrophobicContact CG2-CD2 3.76Å; V1604-L1653 HydrophobicContact CG2-CG 4.45Å; V1604-A1657 HydrophobicContact CG1-CB 4.31Å |
| 1605 | N | 92.6 | Very high | 88.2 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -29.3 | -176.3 | -71.7 | -62.4 | 0 | 0 | 0 | 113.3 | H1603 M1609 E1656 A1657 S1658 T1661 | H1603-N1605 VanDerWaalsContact C-N 3.26Å; H1603-N1605 PolarHBondContact O-N 3.1Å; H1603-N1605 VanDerWaalsContact O-N 3.14Å; N1605-M1609 VanDerWaalsContact O-CB 3.3Å; N1605-M1609 WeakPolarHBondContact O-CB 3.34Å; N1605-M1609 PolarHBondContact O-N 3.1Å; N1605-E1656 PolarHBondContact ND2-O 2.88Å; N1605-A1657 WeakPolarHBondContact OD1-CA 3.38Å; N1605-S1658 WeakPolarHBondContact OD1-CB 3.11Å; N1605-S1658 PolarHBondContact OD1-N 3.08Å; N1605-T1661 WeakPolarHBondContact OD1-CB 3.35Å; N1605-T1661 PolarHBondContact OD1-OG1 3.1Å |
| 1606 | Q | 91 | Very high | 88.8 | Confident | 95 Ų | 95 | 45 Ų | 45 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.3 | -51.6 | 174.5 | -64.1 | 172.8 | -20.5 | 0 | 0 | 110.3 | V1570 H1603 V1604 L1608 M1609 L1610 | V1570-Q1606 HydrophobicContact CG1-CB 3.91Å; H1603-Q1606 PolarHBondContact ND1-OE1 2.98Å; H1603-Q1606 WeakPolarHBondContact O-CB 3.48Å; H1603-Q1606 PolarHBondContact O-N 3.37Å; V1604-Q1606 VanDerWaalsContact C-N 3.34Å; V1604-Q1606 PolarHBondContact O-N 3.02Å; Q1606-L1608 PolarHBondContact O-N 3.42Å; Q1606-M1609 PolarHBondContact O-N 3.06Å; Q1606-L1610 WeakPolarHBondContact O-CG 3.23Å; Q1606-L1610 PolarHBondContact O-N 3.47Å |
| 1607 | V | 91.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54 | -52.5 | 178.6 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V1570 I1573 I1588 H1603 M1609 L1610 I1611 L1647 | V1570-V1607 HydrophobicContact CB-CG2 4.45Å; V1570-V1607 HydrophobicContact CG1-CG2 3.95Å; V1570-V1607 HydrophobicContact CG2-CG2 3.67Å; I1573-V1607 HydrophobicContact CD1-CG1 4.28Å; I1588-V1607 HydrophobicContact CD1-CG2 4.36Å; I1588-V1607 HydrophobicContact CG2-CG1 4.44Å; H1603-V1607 PolarHBondContact O-N 3.43Å; V1607-M1609 VanDerWaalsContact C-N 3.33Å; V1607-M1609 PolarHBondContact O-N 3.2Å; V1607-L1610 PolarHBondContact O-N 3.49Å; V1607-I1611 HydrophobicContact CG1-CD1 3.79Å; V1607-I1611 VanDerWaalsContact O-CG1 3.31Å; V1607-I1611 WeakPolarHBondContact O-CG1 3.48Å; V1607-I1611 PolarHBondContact O-N 2.98Å; V1607-L1647 HydrophobicContact CG1-CD1 4.32Å |
| 1608 | L | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -35.7 | -179 | -68.7 | 178.5 | 0 | 0 | 0 | 112.5 | V1604 Q1606 T1612 I1644 L1647 F1648 A1657 T1661 L1665 | V1604-L1608 HydrophobicContact CG1-CD1 3.91Å; V1604-L1608 WeakPolarHBondContact O-CB 3.37Å; V1604-L1608 WeakPolarHBondContact O-CG 3.39Å; V1604-L1608 PolarHBondContact O-N 3.18Å; Q1606-L1608 PolarHBondContact O-N 3.42Å; L1608-T1612 VanDerWaalsContact O-CB 3.26Å; L1608-T1612 WeakPolarHBondContact O-CB 3.47Å; L1608-T1612 PolarHBondContact O-N 3.34Å; L1608-T1612 PolarHBondContact O-OG1 3.36Å; L1608-I1644 HydrophobicContact CD2-CG1 4.35Å; L1608-I1644 HydrophobicContact CD2-CG2 4.32Å; L1608-L1647 HydrophobicContact CD1-CD2 4.19Å; L1608-L1647 HydrophobicContact CD2-CD1 4.01Å; L1608-L1647 HydrophobicContact CD2-CD2 4.41Å; L1608-L1647 HydrophobicContact CG-CD1 4.06Å; L1608-F1648 HydrophobicContact CD1-CE2 3.75Å; L1608-F1648 HydrophobicContact CD1-CZ 3.78Å; L1608-F1648 HydrophobicContact CD2-CE2 3.83Å; L1608-F1648 HydrophobicContact CG-CE2 4.47Å; L1608-A1657 HydrophobicContact CD1-CB 3.97Å; L1608-T1661 HydrophobicContact CB-CG2 3.51Å; L1608-T1661 HydrophobicContact CD1-CG2 4.04Å; L1608-T1661 HydrophobicContact CG-CG2 4.44Å; L1608-L1665 HydrophobicContact CD1-CD2 4.41Å; L1608-L1665 HydrophobicContact CD2-CD2 4.11Å |
| 1609 | M | 94.1 | Very high | 89.3 | Confident | 59 Ų | 59 | 34.4 Ų | 34.4 | 29% | 0.291 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -71.4 | -39.9 | 178.6 | -167.2 | 59.5 | 68.2 | 0 | 0 | 112.3 | N1605 Q1606 V1607 T1612 M1613 E1664 | N1605-M1609 VanDerWaalsContact O-CB 3.3Å; N1605-M1609 WeakPolarHBondContact O-CB 3.34Å; N1605-M1609 PolarHBondContact O-N 3.1Å; Q1606-M1609 PolarHBondContact O-N 3.06Å; V1607-M1609 VanDerWaalsContact C-N 3.33Å; V1607-M1609 PolarHBondContact O-N 3.2Å; M1609-T1612 CarbonylContact O-C 3.52Å; M1609-T1612 WeakPolarHBondContact O-CB 3.5Å; M1609-T1612 PolarHBondContact O-N 3.18Å; M1609-M1613 PolarHBondContact O-N 3.17Å; M1609-E1664 HydrophobicContact CE-CB 4.09Å; M1609-E1664 HydrophobicContact CE-CG 4.02Å; M1609-E1664 HydrophobicContact SD-CB 4.1Å; M1609-E1664 HydrophobicContact SD-CG 4.24Å |
| 1610 | L | 92.8 | Very high | 89.3 | Confident | 36 Ų | 36 | 36.4 Ų | 36.4 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | 177 | -64.8 | 176.2 | 0 | 0 | 0 | 111.8 | V1570 I1573 Q1606 V1607 M1613 Q1614 | V1570-L1610 HydrophobicContact CG1-CD1 3.84Å; V1570-L1610 WeakPolarHBondContact O-CD1 3.49Å; I1573-L1610 HydrophobicContact CB-CB 4.08Å; I1573-L1610 HydrophobicContact CD1-CB 4.38Å; I1573-L1610 HydrophobicContact CG2-CB 3.94Å; Q1606-L1610 WeakPolarHBondContact O-CG 3.23Å; Q1606-L1610 PolarHBondContact O-N 3.47Å; V1607-L1610 PolarHBondContact O-N 3.49Å; L1610-M1613 WeakPolarHBondContact O-CB 3.43Å; L1610-M1613 PolarHBondContact O-N 3.1Å; L1610-Q1614 PolarHBondContact O-N 2.86Å |
| 1611 | I | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 169.7 | -66.6 | 168.1 | 0 | 0 | 0 | 110.7 | I1573 L1585 V1607 M1613 Q1614 L1615 H1640 T1643 I1644 | I1573-I1611 HydrophobicContact CG2-CG1 4.18Å; L1585-I1611 HydrophobicContact CD2-CD1 3.76Å; L1585-I1611 HydrophobicContact CD2-CG1 3.67Å; V1607-I1611 HydrophobicContact CG1-CD1 3.79Å; V1607-I1611 VanDerWaalsContact O-CG1 3.31Å; V1607-I1611 WeakPolarHBondContact O-CG1 3.48Å; V1607-I1611 PolarHBondContact O-N 2.98Å; I1611-M1613 PolarHBondContact O-N 3.14Å; I1611-Q1614 PolarHBondContact O-N 3.07Å; I1611-Q1614 VanDerWaalsContact O-N 3.12Å; I1611-L1615 HydrophobicContact CG2-CD1 3.99Å; I1611-L1615 HydrophobicContact CG2-CG 4.21Å; I1611-L1615 WeakPolarHBondContact O-CG 3.42Å; I1611-L1615 PolarHBondContact O-N 3.31Å; I1611-H1640 HydrophobicContact CG2-CB 3.82Å; I1611-T1643 HydrophobicContact CD1-CG2 4.01Å; I1611-I1644 HydrophobicContact CD1-CG1 4.22Å; I1611-I1644 HydrophobicContact CG2-CD1 3.68Å; I1611-I1644 HydrophobicContact CG2-CG1 3.91Å |
| 1612 | T | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | L1608 M1609 R1616 E1664 L1665 | L1608-T1612 VanDerWaalsContact O-CB 3.26Å; L1608-T1612 WeakPolarHBondContact O-CB 3.47Å; L1608-T1612 PolarHBondContact O-N 3.34Å; L1608-T1612 PolarHBondContact O-OG1 3.36Å; M1609-T1612 CarbonylContact O-C 3.52Å; M1609-T1612 WeakPolarHBondContact O-CB 3.5Å; M1609-T1612 PolarHBondContact O-N 3.18Å; T1612-R1616 WeakPolarHBondContact O-CG 3.35Å; T1612-R1616 PolarHBondContact O-N 3.32Å; T1612-R1616 PolarHBondContact O-NE 3.47Å; T1612-E1664 VanDerWaalsContact CG2-C 3.45Å; T1612-E1664 HydrophobicContact CG2-CB 3.9Å; T1612-E1664 WeakPolarHBondContact CG2-O 3.48Å; T1612-L1665 WeakPolarHBondContact OG1-CD1 3.24Å |
| 1613 | M | 90.7 | Very high | 88.9 | Confident | 68 Ų | 68 | 35.5 Ų | 35.5 | 34% | 0.335 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.5 | -47.1 | 170.6 | -171.9 | -174.6 | 71.3 | 0 | 0 | 110.9 | M1609 L1610 I1611 R1616 Q1617 | M1609-M1613 PolarHBondContact O-N 3.17Å; L1610-M1613 WeakPolarHBondContact O-CB 3.43Å; L1610-M1613 PolarHBondContact O-N 3.1Å; I1611-M1613 PolarHBondContact O-N 3.14Å; M1613-R1616 CarbonylContact O-C 3.54Å; M1613-R1616 WeakPolarHBondContact O-CA 3.43Å; M1613-R1616 WeakPolarHBondContact O-CB 3.34Å; M1613-R1616 PolarHBondContact O-N 3.29Å; M1613-R1616 VanDerWaalsContact O-N 3.12Å; M1613-Q1617 PolarHBondContact O-N 3.46Å |
| 1614 | Q | 88.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 179.7 | -69 | -69.3 | 16.2 | 0 | 0 | 113.1 | I1573 S1575 L1610 I1611 R1616 Q1617 V1618 H1640 | I1573-Q1614 HydrophobicContact CG2-CG 4.39Å; I1573-Q1614 PolarHBondContact O-NE2 3.49Å; S1575-Q1614 PolarHBondContact O-NE2 3.02Å; L1610-Q1614 PolarHBondContact O-N 2.86Å; I1611-Q1614 PolarHBondContact O-N 3.07Å; I1611-Q1614 VanDerWaalsContact O-N 3.12Å; Q1614-R1616 PolarHBondContact O-N 2.96Å; Q1614-Q1617 CarbonylContact O-C 3.51Å; Q1614-Q1617 WeakPolarHBondContact O-CA 3.37Å; Q1614-Q1617 WeakPolarHBondContact O-CB 3.49Å; Q1614-Q1617 PolarHBondContact O-N 3.38Å; Q1614-V1618 PolarHBondContact O-N 3.45Å; Q1614-H1640 WeakPolarHBondContact CB-CE1 3.13Å; Q1614-H1640 VanDerWaalsContact CB-NE2 3.3Å; Q1614-H1640 WeakPolarHBondContact CB-NE2 3.23Å |
| 1615 | L | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -27.2 | 172.1 | -68.6 | 178.3 | 0 | 0 | 0 | 112.9 | I1611 T1619 H1640 I1644 S1668 L1669 M1672 | I1611-L1615 HydrophobicContact CG2-CD1 3.99Å; I1611-L1615 HydrophobicContact CG2-CG 4.21Å; I1611-L1615 WeakPolarHBondContact O-CG 3.42Å; I1611-L1615 PolarHBondContact O-N 3.31Å; L1615-T1619 PolarHBondContact O-N 2.8Å; L1615-T1619 PolarHBondContact O-OG1 2.94Å; L1615-H1640 HydrophobicContact CD2-CB 3.82Å; L1615-H1640 HydrophobicContact CG-CB 4.27Å; L1615-I1644 HydrophobicContact CD1-CD1 4.09Å; L1615-S1668 VanDerWaalsContact CB-OG 3.28Å; L1615-S1668 WeakPolarHBondContact CB-OG 3.42Å; L1615-L1669 HydrophobicContact CD1-CD2 3.87Å; L1615-M1672 HydrophobicContact CD2-CE 3.75Å; L1615-M1672 HydrophobicContact CD2-SD 3.92Å |
| 1616 | R | 90.2 | Very high | 86.4 | Confident | 86 Ų | 86 | 45.2 Ų | 45.2 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.1 | -32 | 167.6 | -76.6 | -176.3 | -77.3 | -162.7 | -7.3 | 113 | T1612 M1613 Q1614 T1619 S1620 E1664 | T1612-R1616 WeakPolarHBondContact O-CG 3.35Å; T1612-R1616 PolarHBondContact O-N 3.32Å; T1612-R1616 PolarHBondContact O-NE 3.47Å; M1613-R1616 CarbonylContact O-C 3.54Å; M1613-R1616 WeakPolarHBondContact O-CA 3.43Å; M1613-R1616 WeakPolarHBondContact O-CB 3.34Å; M1613-R1616 PolarHBondContact O-N 3.29Å; M1613-R1616 VanDerWaalsContact O-N 3.12Å; Q1614-R1616 PolarHBondContact O-N 2.96Å; R1616-T1619 WeakPolarHBondContact CA-OG1 3.28Å; R1616-T1619 PolarHBondContact O-OG1 2.9Å; R1616-S1620 VanDerWaalsContact O-CB 3.29Å; R1616-S1620 WeakPolarHBondContact O-CB 3.29Å; R1616-S1620 PolarHBondContact O-N 3.5Å; R1616-S1620 PolarHBondContact O-OG 3.07Å; R1616-E1664 IonicContact CZ-OE2 2.73Å; R1616-E1664 IonicContact NH1-OE2 3.61Å; R1616-E1664 PolarHBondContact NH1-OE2 3.18Å; R1616-E1664 IonicContact NH2-OE2 3.49Å; R1616-E1664 PolarHBondContact NH2-OE2 3.46Å |
| 1617 | Q | 86.6 | Confident | 85.6 | Confident | 30 Ų | 30 | 45 Ų | 45 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 171.4 | -61.6 | -158.3 | 31.3 | 0 | 0 | 112.2 | M1613 Q1614 T1619 S1620 R1621 Y1622 | M1613-Q1617 PolarHBondContact O-N 3.46Å; Q1614-Q1617 CarbonylContact O-C 3.51Å; Q1614-Q1617 WeakPolarHBondContact O-CA 3.37Å; Q1614-Q1617 WeakPolarHBondContact O-CB 3.49Å; Q1614-Q1617 PolarHBondContact O-N 3.38Å; Q1617-T1619 PolarHBondContact O-N 3.04Å; Q1617-S1620 PolarHBondContact O-N 3.23Å; Q1617-R1621 WeakPolarHBondContact O-CA 3.2Å; Q1617-R1621 WeakPolarHBondContact O-CB 3.34Å; Q1617-R1621 PolarHBondContact O-N 3.15Å; Q1617-Y1622 HydrophobicContact CB-CD2 4.48Å; Q1617-Y1622 HydrophobicContact CB-CE2 3.85Å; Q1617-Y1622 PolarHBondContact O-N 2.75Å; Q1617-Y1622 PolarHBondContact OE1-OH 3.22Å |
| 1618 | V | 85.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -52.7 | -53.3 | 170.3 | 166 | 0 | 0 | 0 | 0 | 111.1 | Q1614 Y1622 F1623 L1633 L1636 I1637 M1672 | Q1614-V1618 PolarHBondContact O-N 3.45Å; V1618-Y1622 HydrophobicContact CB-CD2 4.49Å; V1618-Y1622 HydrophobicContact CG2-CD2 4.01Å; V1618-Y1622 PolarHBondContact O-N 2.74Å; V1618-F1623 HydrophobicContact CG1-CE1 4.41Å; V1618-F1623 HydrophobicContact CG1-CE2 4.31Å; V1618-F1623 HydrophobicContact CG1-CZ 4.2Å; V1618-F1623 PolarHBondContact O-N 2.93Å; V1618-L1633 HydrophobicContact CG1-CD1 4.21Å; V1618-L1633 HydrophobicContact CG2-CD1 4.28Å; V1618-L1636 HydrophobicContact CG2-CD2 3.83Å; V1618-I1637 HydrophobicContact CG1-CD1 3.78Å; V1618-I1637 HydrophobicContact CG1-CG1 3.91Å; V1618-I1637 HydrophobicContact CG2-CG1 4.15Å; V1618-M1672 HydrophobicContact CG1-SD 4.22Å |
| 1619 | T | 83.9 | Confident | 84.1 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -75.1 | -23.9 | -175.9 | 42.9 | 0 | 0 | 0 | 0 | 114.3 | L1615 R1616 Q1617 F1623 M1672 R1677 | L1615-T1619 PolarHBondContact O-N 2.8Å; L1615-T1619 PolarHBondContact O-OG1 2.94Å; R1616-T1619 WeakPolarHBondContact CA-OG1 3.28Å; R1616-T1619 PolarHBondContact O-OG1 2.9Å; Q1617-T1619 PolarHBondContact O-N 3.04Å; T1619-F1623 HydrophobicContact CG2-CD2 4.22Å; T1619-F1623 HydrophobicContact CG2-CE2 3.92Å; T1619-M1672 HydrophobicContact CG2-CB 3.93Å; T1619-M1672 HydrophobicContact CG2-CG 4.09Å; T1619-R1677 PolarHBondContact O-NH2 2.9Å |
| 1620 | S | 83.8 | Confident | 83.3 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | I | π-helix | trans | -106 | -20.9 | -176.9 | 63 | 0 | 0 | 0 | 0 | 116.1 | R1616 Q1617 | R1616-S1620 VanDerWaalsContact O-CB 3.29Å; R1616-S1620 WeakPolarHBondContact O-CB 3.29Å; R1616-S1620 PolarHBondContact O-N 3.5Å; R1616-S1620 PolarHBondContact O-OG 3.07Å; Q1617-S1620 PolarHBondContact O-N 3.23Å |
| 1621 | R | 82.5 | Confident | 82.6 | Confident | 157 Ų | 157 | 55.9 Ų | 55.9 | 59% | 0.592 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -120.4 | -61.9 | 176.7 | -79.8 | -177.8 | 165.5 | 174.4 | -6.3 | 112.4 | Q1617 F1623 | Q1617-R1621 WeakPolarHBondContact O-CA 3.2Å; Q1617-R1621 WeakPolarHBondContact O-CB 3.34Å; Q1617-R1621 PolarHBondContact O-N 3.15Å; R1621-F1623 PolarHBondContact O-N 3.24Å |
| 1622 | Y | 81.9 | Confident | 81.9 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -72.7 | -25.6 | -162.4 | -50.6 | -44.6 | 0 | 0 | 0 | 114.1 | Q1617 V1618 G1624 D1625 V1628 L1636 | Q1617-Y1622 HydrophobicContact CB-CD2 4.48Å; Q1617-Y1622 HydrophobicContact CB-CE2 3.85Å; Q1617-Y1622 PolarHBondContact O-N 2.75Å; Q1617-Y1622 PolarHBondContact OE1-OH 3.22Å; V1618-Y1622 HydrophobicContact CB-CD2 4.49Å; V1618-Y1622 HydrophobicContact CG2-CD2 4.01Å; V1618-Y1622 PolarHBondContact O-N 2.74Å; Y1622-G1624 PolarHBondContact O-N 3.44Å; Y1622-D1625 PolarHBondContact O-N 3.05Å; Y1622-V1628 HydrophobicContact CD1-CG2 3.92Å; Y1622-V1628 HydrophobicContact CG-CG2 4.49Å; Y1622-L1636 HydrophobicContact CD2-CD2 4.04Å; Y1622-L1636 HydrophobicContact CE2-CD2 3.97Å |
| 1623 | F | 80.7 | Confident | 81.4 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 95.4 | 171.8 | -84 | -29.8 | 0 | 0 | 0 | 112.6 | V1618 T1619 R1621 L1633 I1637 D1675 R1677 T1678 M1681 | V1618-F1623 HydrophobicContact CG1-CE1 4.41Å; V1618-F1623 HydrophobicContact CG1-CE2 4.31Å; V1618-F1623 HydrophobicContact CG1-CZ 4.2Å; V1618-F1623 PolarHBondContact O-N 2.93Å; T1619-F1623 HydrophobicContact CG2-CD2 4.22Å; T1619-F1623 HydrophobicContact CG2-CE2 3.92Å; R1621-F1623 PolarHBondContact O-N 3.24Å; F1623-L1633 HydrophobicContact CD1-CD2 3.86Å; F1623-L1633 HydrophobicContact CE1-CD2 4.16Å; F1623-I1637 HydrophobicContact CE1-CD1 4.41Å; F1623-D1675 HydrophobicContact CE2-CB 4.46Å; F1623-R1677 VanDerWaalsContact CB-NH1 3.25Å; F1623-R1677 HydrophobicContact CD1-CB 4.49Å; F1623-R1677 HydrophobicContact CD2-CB 4.17Å; F1623-R1677 HydrophobicContact CE2-CB 4.45Å; F1623-R1677 HydrophobicContact CG-CB 4.22Å; F1623-R1677 PolarHBondContact O-NH1 3.37Å; F1623-R1677 VanDerWaalsContact O-NH1 3.11Å; F1623-T1678 WeakPolarHBondContact CE2-OG1 3.41Å; F1623-T1678 VanDerWaalsContact CZ-OG1 3.29Å; F1623-T1678 WeakPolarHBondContact CZ-OG1 3.3Å; F1623-M1681 HydrophobicContact CE1-CE 3.84Å; F1623-M1681 HydrophobicContact CE1-CG 4.36Å; F1623-M1681 HydrophobicContact CE1-SD 3.67Å; F1623-M1681 HydrophobicContact CZ-SD 4.12Å |
| 1624 | G | 70.8 | Confident | 80.9 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.7 | 2.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1622 P1626 | Y1622-G1624 PolarHBondContact O-N 3.44Å; G1624-P1626 WeakPolarHBondContact O-CD 3.41Å |
| 1625 | D | 76.3 | Confident | 80.6 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | trans | -82.1 | 114.5 | 177.8 | -170.8 | -28.7 | 0 | 0 | 0 | 110.7 | Y1622 S1627 V1628 | Y1622-D1625 PolarHBondContact O-N 3.05Å; D1625-S1627 PolarHBondContact O-N 2.96Å; D1625-S1627 VanDerWaalsContact O-N 3.13Å; D1625-S1627 VanDerWaalsContact OD1-CB 3.29Å; D1625-S1627 WeakPolarHBondContact OD1-CB 3.27Å; D1625-S1627 PolarHBondContact OD1-N 3.48Å; D1625-S1627 PolarHBondContact OD1-OG 3.33Å; D1625-S1627 PolarHBondContact OD2-OG 3.24Å; D1625-V1628 PolarHBondContact O-N 3.48Å | ||
| 1626 | P | 73.1 | Confident | 80.3 | Confident | 134 Ų | 134 | 62 Ų | 62 | 87% | 0.87 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.6 | -178.2 | 31.2 | -36.7 | 0 | 0 | 0 | 114 | G1624 | G1624-P1626 WeakPolarHBondContact O-CD 3.41Š|
| 1627 | S | 74.1 | Confident | 80.1 | Confident | 92 Ų | 92 | 58 Ų | 58 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.9 | 173.7 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | D1625 | D1625-S1627 PolarHBondContact O-N 2.96Å; D1625-S1627 VanDerWaalsContact O-N 3.13Å; D1625-S1627 VanDerWaalsContact OD1-CB 3.29Å; D1625-S1627 WeakPolarHBondContact OD1-CB 3.27Å; D1625-S1627 PolarHBondContact OD1-N 3.48Å; D1625-S1627 PolarHBondContact OD1-OG 3.33Å; D1625-S1627 PolarHBondContact OD2-OG 3.24Å |
| 1628 | V | 76.8 | Confident | 80 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 12% | 0.121 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -107.9 | 120.4 | 178 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | L1578 Y1622 D1625 Q1632 L1633 | L1578-V1628 HydrophobicContact CD1-CG2 4.4Å; L1578-V1628 HydrophobicContact CD2-CG1 3.71Å; Y1622-V1628 HydrophobicContact CD1-CG2 3.92Å; Y1622-V1628 HydrophobicContact CG-CG2 4.49Å; D1625-V1628 PolarHBondContact O-N 3.48Å; V1628-Q1632 HydrophobicContact CG1-CB 4.23Å; V1628-L1633 HydrophobicContact CG1-CB 4.15Å |
| 1629 | S | 78.4 | Confident | 79.9 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | trans | -71.4 | 149.6 | 178 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | E1631 Q1632 L1633 | S1629-E1631 PolarHBondContact O-N 3.33Å; S1629-Q1632 VanDerWaalsContact N-OE1 3.08Å; S1629-Q1632 WeakPolarHBondContact O-CB 3.38Å; S1629-Q1632 PolarHBondContact O-N 3.05Å; S1629-Q1632 VanDerWaalsContact OG-CG 3.28Å; S1629-Q1632 WeakPolarHBondContact OG-CG 3.31Å; S1629-Q1632 PolarHBondContact OG-N 3Å; S1629-Q1632 PolarHBondContact OG-OE1 2.76Å; S1629-L1633 PolarHBondContact O-N 2.97Å | ||
| 1630 | E | 76.6 | Confident | 80.2 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56 | -37.9 | 178 | -172.1 | -179.5 | 174.5 | 0 | 0 | 111.5 | L1633 H1634 S1682 | E1630-L1633 PolarHBondContact O-N 3.22Å; E1630-H1634 VanDerWaalsContact O-CB 3.29Å; E1630-H1634 WeakPolarHBondContact O-CB 3.45Å; E1630-H1634 PolarHBondContact O-CD2 3.47Å; E1630-H1634 PolarHBondContact O-N 3.38Å; E1630-H1634 IonicContact OE1-CE1 3.54Å; E1630-H1634 PolarHBondContact OE1-CE1 3.18Å; E1630-H1634 IonicContact OE1-NE2 3.67Å; E1630-H1634 PolarHBondContact OE1-NE2 2.81Å; E1630-S1682 WeakPolarHBondContact OE1-CB 3.38Å; E1630-S1682 PolarHBondContact OE1-N 2.91Å; E1630-S1682 PolarHBondContact OE1-OG 3.37Å |
| 1631 | E | 77.3 | Confident | 80.6 | Confident | 155 Ų | 155 | 55.6 Ų | 55.6 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 176.3 | -172.7 | 173.3 | -158.2 | 0 | 0 | 113 | S1629 T1635 | S1629-E1631 PolarHBondContact O-N 3.33Å; E1631-T1635 WeakPolarHBondContact O-CB 3.42Å; E1631-T1635 PolarHBondContact O-N 2.93Å; E1631-T1635 PolarHBondContact O-OG1 3.13Å |
| 1632 | Q | 79.1 | Confident | 80.9 | Confident | 102 Ų | 102 | 48.2 Ų | 48.2 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 173 | -74.4 | 168.2 | -38.7 | 0 | 0 | 111.1 | V1628 S1629 T1635 L1636 | V1628-Q1632 HydrophobicContact CG1-CB 4.23Å; S1629-Q1632 VanDerWaalsContact N-OE1 3.08Å; S1629-Q1632 WeakPolarHBondContact O-CB 3.38Å; S1629-Q1632 PolarHBondContact O-N 3.05Å; S1629-Q1632 VanDerWaalsContact OG-CG 3.28Å; S1629-Q1632 WeakPolarHBondContact OG-CG 3.31Å; S1629-Q1632 PolarHBondContact OG-N 3Å; S1629-Q1632 PolarHBondContact OG-OE1 2.76Å; Q1632-T1635 PolarHBondContact O-N 2.99Å; Q1632-L1636 PolarHBondContact O-N 2.9Å |
| 1633 | L | 82.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.3 | -173.6 | 58.4 | 0 | 0 | 0 | 111.7 | V1618 F1623 V1628 S1629 E1630 T1635 L1636 I1637 M1681 | V1618-L1633 HydrophobicContact CG1-CD1 4.21Å; V1618-L1633 HydrophobicContact CG2-CD1 4.28Å; F1623-L1633 HydrophobicContact CD1-CD2 3.86Å; F1623-L1633 HydrophobicContact CE1-CD2 4.16Å; V1628-L1633 HydrophobicContact CG1-CB 4.15Å; S1629-L1633 PolarHBondContact O-N 2.97Å; E1630-L1633 PolarHBondContact O-N 3.22Å; L1633-T1635 VanDerWaalsContact C-N 3.29Å; L1633-T1635 PolarHBondContact O-N 3.04Å; L1633-L1636 PolarHBondContact O-N 3.42Å; L1633-I1637 HydrophobicContact CD1-CD1 4.14Å; L1633-I1637 HydrophobicContact CD1-CG1 4.46Å; L1633-I1637 HydrophobicContact CG-CD1 4.03Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.2Å; L1633-I1637 PolarHBondContact O-N 3.15Å; L1633-M1681 HydrophobicContact CD2-CE 3.94Å; L1633-M1681 HydrophobicContact CG-CE 4.06Å |
| 1634 | H | 81 | Confident | 81.8 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 172.9 | -78.2 | -158 | 0 | 0 | 0 | 111.7 | E1630 R1638 M1681 S1682 S1683 | E1630-H1634 VanDerWaalsContact O-CB 3.29Å; E1630-H1634 WeakPolarHBondContact O-CB 3.45Å; E1630-H1634 PolarHBondContact O-CD2 3.47Å; E1630-H1634 PolarHBondContact O-N 3.38Å; E1630-H1634 IonicContact OE1-CE1 3.54Å; E1630-H1634 PolarHBondContact OE1-CE1 3.18Å; E1630-H1634 IonicContact OE1-NE2 3.67Å; E1630-H1634 PolarHBondContact OE1-NE2 2.81Å; H1634-R1638 WeakPolarHBondContact O-CB 3.45Å; H1634-R1638 PolarHBondContact O-N 2.88Å; H1634-R1638 PolarHBondContact O-NH1 3.01Å; H1634-M1681 WeakPolarHBondContact CD2-CE 3.4Å; H1634-M1681 WeakPolarHBondContact NE2-CE 3.13Å; H1634-S1682 PolarHBondContact CE1-OG 3.08Å; H1634-S1682 VanDerWaalsContact CE1-OG 3.3Å; H1634-S1683 PolarHBondContact CE1-OG 3.04Å; H1634-S1683 VanDerWaalsContact CE1-OG 3.23Å; H1634-S1683 PolarHBondContact ND1-OG 3.43Å |
| 1635 | T | 81.4 | Confident | 82.8 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.3 | -44 | 178.4 | -60 | 0 | 0 | 0 | 0 | 111.5 | E1631 Q1632 L1633 R1638 S1639 | E1631-T1635 WeakPolarHBondContact O-CB 3.42Å; E1631-T1635 PolarHBondContact O-N 2.93Å; E1631-T1635 PolarHBondContact O-OG1 3.13Å; Q1632-T1635 PolarHBondContact O-N 2.99Å; L1633-T1635 VanDerWaalsContact C-N 3.29Å; L1633-T1635 PolarHBondContact O-N 3.04Å; T1635-R1638 PolarHBondContact O-N 3.46Å; T1635-S1639 WeakPolarHBondContact O-CB 3.46Å; T1635-S1639 PolarHBondContact O-N 3.41Å; T1635-S1639 PolarHBondContact O-OG 3.38Å |
| 1636 | L | 83.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -54.3 | 176.2 | -176.1 | 69 | 0 | 0 | 0 | 111.4 | L1578 V1618 Y1622 Q1632 L1633 R1638 S1639 H1640 | L1578-L1636 HydrophobicContact CD2-CB 4.35Å; L1578-L1636 HydrophobicContact CD2-CD2 3.86Å; L1578-L1636 HydrophobicContact CG-CD2 4.19Å; V1618-L1636 HydrophobicContact CG2-CD2 3.83Å; Y1622-L1636 HydrophobicContact CD2-CD2 4.04Å; Y1622-L1636 HydrophobicContact CE2-CD2 3.97Å; Q1632-L1636 PolarHBondContact O-N 2.9Å; L1633-L1636 PolarHBondContact O-N 3.42Å; L1636-R1638 VanDerWaalsContact C-N 3.34Å; L1636-R1638 PolarHBondContact O-N 2.73Å; L1636-S1639 PolarHBondContact O-N 3.08Å; L1636-S1639 VanDerWaalsContact O-N 3.13Å; L1636-S1639 PolarHBondContact O-OG 2.97Å; L1636-H1640 WeakPolarHBondContact CD1-NE2 3.45Å; L1636-H1640 WeakPolarHBondContact CG-NE2 3.29Å; L1636-H1640 PolarHBondContact O-CD2 3.5Å; L1636-H1640 PolarHBondContact O-N 3.48Å |
| 1637 | I | 87.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 179.5 | -66.2 | 167.6 | 0 | 0 | 0 | 110.8 | V1618 F1623 L1633 S1639 H1640 L1641 M1672 M1681 V1687 | V1618-I1637 HydrophobicContact CG1-CD1 3.78Å; V1618-I1637 HydrophobicContact CG1-CG1 3.91Å; V1618-I1637 HydrophobicContact CG2-CG1 4.15Å; F1623-I1637 HydrophobicContact CE1-CD1 4.41Å; L1633-I1637 HydrophobicContact CD1-CD1 4.14Å; L1633-I1637 HydrophobicContact CD1-CG1 4.46Å; L1633-I1637 HydrophobicContact CG-CD1 4.03Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.2Å; L1633-I1637 PolarHBondContact O-N 3.15Å; I1637-S1639 VanDerWaalsContact C-N 3.33Å; I1637-S1639 PolarHBondContact O-N 3.4Å; I1637-H1640 PolarHBondContact O-N 2.81Å; I1637-L1641 HydrophobicContact CG2-CD1 3.84Å; I1637-L1641 HydrophobicContact CG2-CG 4.39Å; I1637-L1641 VanDerWaalsContact O-CG 3.31Å; I1637-L1641 WeakPolarHBondContact O-CG 3.44Å; I1637-L1641 PolarHBondContact O-N 3.38Å; I1637-M1672 HydrophobicContact CG2-CE 4.22Å; I1637-M1672 HydrophobicContact CG2-SD 4.39Å; I1637-M1681 HydrophobicContact CD1-CE 3.83Å; I1637-M1681 HydrophobicContact CD1-SD 4.34Å; I1637-V1687 HydrophobicContact CG2-CG1 3.94Å; I1637-V1687 HydrophobicContact CG2-CG2 4.5Å |
| 1638 | R | 84.5 | Confident | 85.2 | Confident | 81 Ų | 81 | 33.7 Ų | 33.7 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.2 | -177.2 | 179.5 | -70.7 | 108.8 | -0.2 | 112.1 | I1540 H1634 T1635 L1636 L1641 A1642 | I1540-R1638 HydrophobicContact CG2-CG 4.26Å; H1634-R1638 WeakPolarHBondContact O-CB 3.45Å; H1634-R1638 PolarHBondContact O-N 2.88Å; H1634-R1638 PolarHBondContact O-NH1 3.01Å; T1635-R1638 PolarHBondContact O-N 3.46Å; L1636-R1638 VanDerWaalsContact C-N 3.34Å; L1636-R1638 PolarHBondContact O-N 2.73Å; R1638-L1641 PolarHBondContact O-N 3.33Å; R1638-A1642 VanDerWaalsContact O-CB 3.3Å; R1638-A1642 WeakPolarHBondContact O-CB 3.44Å; R1638-A1642 PolarHBondContact O-N 3.48Å |
| 1639 | S | 83.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 177.9 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | L1585 T1635 L1636 I1637 L1641 A1642 T1643 | L1585-S1639 WeakPolarHBondContact CD1-OG 3.38Å; T1635-S1639 WeakPolarHBondContact O-CB 3.46Å; T1635-S1639 PolarHBondContact O-N 3.41Å; T1635-S1639 PolarHBondContact O-OG 3.38Å; L1636-S1639 PolarHBondContact O-N 3.08Å; L1636-S1639 VanDerWaalsContact O-N 3.13Å; L1636-S1639 PolarHBondContact O-OG 2.97Å; I1637-S1639 VanDerWaalsContact C-N 3.33Å; I1637-S1639 PolarHBondContact O-N 3.4Å; S1639-L1641 PolarHBondContact O-N 3.48Å; S1639-A1642 PolarHBondContact O-N 2.86Å; S1639-T1643 PolarHBondContact O-N 3.25Å; S1639-T1643 PolarHBondContact O-OG1 3.21Å; S1639-T1643 VanDerWaalsContact O-OG1 3.08Å |
| 1640 | H | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 174.8 | -67.3 | -42.6 | 0 | 0 | 0 | 112 | L1585 I1611 Q1614 L1615 L1636 I1637 A1642 T1643 I1644 | L1585-H1640 VanDerWaalsContact CD1-CE1 3.45Å; L1585-H1640 WeakPolarHBondContact CD1-CE1 3.46Å; L1585-H1640 WeakPolarHBondContact CD1-ND1 3.21Å; I1611-H1640 HydrophobicContact CG2-CB 3.82Å; Q1614-H1640 WeakPolarHBondContact CB-CE1 3.13Å; Q1614-H1640 VanDerWaalsContact CB-NE2 3.3Å; Q1614-H1640 WeakPolarHBondContact CB-NE2 3.23Å; L1615-H1640 HydrophobicContact CD2-CB 3.82Å; L1615-H1640 HydrophobicContact CG-CB 4.27Å; L1636-H1640 WeakPolarHBondContact CD1-NE2 3.45Å; L1636-H1640 WeakPolarHBondContact CG-NE2 3.29Å; L1636-H1640 PolarHBondContact O-CD2 3.5Å; L1636-H1640 PolarHBondContact O-N 3.48Å; I1637-H1640 PolarHBondContact O-N 2.81Å; H1640-A1642 PolarHBondContact O-N 3.47Å; H1640-T1643 PolarHBondContact O-N 3.24Å; H1640-I1644 WeakPolarHBondContact O-CD1 3.45Å; H1640-I1644 WeakPolarHBondContact O-CG1 3.27Å; H1640-I1644 PolarHBondContact O-N 3.08Å |
| 1641 | L | 91.6 | Very high | 86.6 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | -178.8 | -64.8 | 174.2 | 0 | 0 | 0 | 111.6 | I1540 I1637 R1638 S1639 I1644 E1645 L1669 M1672 V1687 I1691 L1694 | I1540-L1641 HydrophobicContact CD1-CB 4.34Å; I1637-L1641 HydrophobicContact CG2-CD1 3.84Å; I1637-L1641 HydrophobicContact CG2-CG 4.39Å; I1637-L1641 VanDerWaalsContact O-CG 3.31Å; I1637-L1641 WeakPolarHBondContact O-CG 3.44Å; I1637-L1641 PolarHBondContact O-N 3.38Å; R1638-L1641 PolarHBondContact O-N 3.33Å; S1639-L1641 PolarHBondContact O-N 3.48Å; L1641-I1644 PolarHBondContact O-N 2.78Å; L1641-E1645 WeakPolarHBondContact O-CB 3.16Å; L1641-E1645 PolarHBondContact O-N 3.05Å; L1641-L1669 HydrophobicContact CD2-CD2 3.77Å; L1641-M1672 HydrophobicContact CD2-CE 4.19Å; L1641-V1687 HydrophobicContact CD1-CG1 4.39Å; L1641-I1691 HydrophobicContact CD1-CG1 4.14Å; L1641-I1691 HydrophobicContact CD2-CG1 3.96Å; L1641-L1694 HydrophobicContact CB-CD2 4.29Å; L1641-L1694 HydrophobicContact CD2-CD2 3.47Å; L1641-L1694 VanDerWaalsContact CD2-CD2 3.47Å; L1641-L1694 HydrophobicContact CG-CD2 4.48Å |
| 1642 | A | 88.2 | Confident | 87 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1540 L1543 R1638 S1639 H1640 I1644 E1645 S1646 | I1540-A1642 HydrophobicContact CG2-CB 3.91Å; L1543-A1642 HydrophobicContact CD1-CB 4.25Å; L1543-A1642 HydrophobicContact CG-CB 4.48Å; R1638-A1642 VanDerWaalsContact O-CB 3.3Å; R1638-A1642 WeakPolarHBondContact O-CB 3.44Å; R1638-A1642 PolarHBondContact O-N 3.48Å; S1639-A1642 PolarHBondContact O-N 2.86Å; H1640-A1642 PolarHBondContact O-N 3.47Å; A1642-I1644 PolarHBondContact O-N 3.05Å; A1642-E1645 PolarHBondContact O-N 3.48Å; A1642-S1646 PolarHBondContact O-N 2.9Å |
| 1643 | T | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | 179.1 | -52.6 | 0 | 0 | 0 | 0 | 112 | L1585 I1588 L1592 I1611 S1639 H1640 L1647 | L1585-T1643 HydrophobicContact CD2-CG2 4.17Å; L1585-T1643 PolarHBondContact O-OG1 3.4Å; I1588-T1643 HydrophobicContact CB-CG2 4.44Å; I1588-T1643 HydrophobicContact CG2-CG2 3.85Å; L1592-T1643 HydrophobicContact CD1-CG2 4.02Å; I1611-T1643 HydrophobicContact CD1-CG2 4.01Å; S1639-T1643 PolarHBondContact O-N 3.25Å; S1639-T1643 PolarHBondContact O-OG1 3.21Å; S1639-T1643 VanDerWaalsContact O-OG1 3.08Å; H1640-T1643 PolarHBondContact O-N 3.24Å; T1643-L1647 WeakPolarHBondContact O-CB 3.46Å; T1643-L1647 PolarHBondContact O-N 3.27Å; T1643-L1647 VanDerWaalsContact O-N 3.08Å |
| 1644 | I | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 172.4 | -57.6 | 157.4 | 0 | 0 | 0 | 110 | L1608 I1611 L1615 H1640 L1641 A1642 L1647 F1648 L1665 L1669 L1694 I1698 | L1608-I1644 HydrophobicContact CD2-CG1 4.35Å; L1608-I1644 HydrophobicContact CD2-CG2 4.32Å; I1611-I1644 HydrophobicContact CD1-CG1 4.22Å; I1611-I1644 HydrophobicContact CG2-CD1 3.68Å; I1611-I1644 HydrophobicContact CG2-CG1 3.91Å; L1615-I1644 HydrophobicContact CD1-CD1 4.09Å; H1640-I1644 WeakPolarHBondContact O-CD1 3.45Å; H1640-I1644 WeakPolarHBondContact O-CG1 3.27Å; H1640-I1644 PolarHBondContact O-N 3.08Å; L1641-I1644 PolarHBondContact O-N 2.78Å; A1642-I1644 PolarHBondContact O-N 3.05Å; I1644-L1647 PolarHBondContact O-N 3.44Å; I1644-F1648 HydrophobicContact CG2-CD2 3.65Å; I1644-F1648 HydrophobicContact CG2-CE2 3.89Å; I1644-F1648 WeakPolarHBondContact O-CD2 3.29Å; I1644-F1648 PolarHBondContact O-N 3.28Å; I1644-L1665 HydrophobicContact CD1-CD1 4Å; I1644-L1665 HydrophobicContact CG2-CD2 4.37Å; I1644-L1669 HydrophobicContact CD1-CD2 4.32Å; I1644-L1694 HydrophobicContact CB-CD1 4.12Å; I1644-L1694 HydrophobicContact CB-CD2 3.95Å; I1644-L1694 HydrophobicContact CD1-CD2 4.1Å; I1644-L1694 HydrophobicContact CG2-CD1 3.83Å; I1644-L1694 HydrophobicContact CG2-CD2 3.98Å; I1644-L1694 HydrophobicContact CG2-CG 4.15Å; I1644-I1698 HydrophobicContact CG2-CD1 4.06Å |
| 1645 | E | 91.3 | Very high | 88.2 | Confident | 78 Ų | 78 | 30.4 Ų | 30.4 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 177.8 | -170.8 | -177.8 | -159.8 | 0 | 0 | 110.9 | L1641 A1642 L1647 F1648 S1649 L1694 L1697 | L1641-E1645 WeakPolarHBondContact O-CB 3.16Å; L1641-E1645 PolarHBondContact O-N 3.05Å; A1642-E1645 PolarHBondContact O-N 3.48Å; E1645-L1647 PolarHBondContact O-N 2.99Å; E1645-F1648 PolarHBondContact O-N 2.96Å; E1645-S1649 VanDerWaalsContact O-CB 3.28Å; E1645-S1649 WeakPolarHBondContact O-CB 3.29Å; E1645-S1649 PolarHBondContact O-N 3.15Å; E1645-L1694 HydrophobicContact CB-CD1 3.82Å; E1645-L1694 HydrophobicContact CG-CD1 4.43Å; E1645-L1697 HydrophobicContact CG-CD2 3.96Å |
| 1646 | S | 88.7 | Confident | 88.6 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -29.7 | 179.6 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | D1589 L1592 A1642 S1649 | D1589-S1646 VanDerWaalsContact OD1-CB 3.27Å; D1589-S1646 WeakPolarHBondContact OD1-CB 3.41Å; L1592-S1646 WeakPolarHBondContact CB-OG 3.45Å; A1642-S1646 PolarHBondContact O-N 2.9Å; S1646-S1649 PolarHBondContact O-OG 3.17Å |
| 1647 | L | 93.2 | Very high | 89 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71 | -51.7 | 174.4 | -169.3 | 154.9 | 0 | 0 | 0 | 111.6 | L1592 V1604 V1607 L1608 T1643 I1644 E1645 S1649 R1650 L1653 | L1592-L1647 HydrophobicContact CD1-CB 4.05Å; L1592-L1647 HydrophobicContact CD2-CB 4.32Å; L1592-L1647 HydrophobicContact CD2-CG 4.46Å; V1604-L1647 HydrophobicContact CG1-CD1 4.36Å; V1604-L1647 HydrophobicContact CG1-CD2 4.17Å; V1604-L1647 HydrophobicContact CG2-CD1 4.5Å; V1607-L1647 HydrophobicContact CG1-CD1 4.32Å; L1608-L1647 HydrophobicContact CD1-CD2 4.19Å; L1608-L1647 HydrophobicContact CD2-CD1 4.01Å; L1608-L1647 HydrophobicContact CD2-CD2 4.41Å; L1608-L1647 HydrophobicContact CG-CD1 4.06Å; T1643-L1647 WeakPolarHBondContact O-CB 3.46Å; T1643-L1647 PolarHBondContact O-N 3.27Å; T1643-L1647 VanDerWaalsContact O-N 3.08Å; I1644-L1647 PolarHBondContact O-N 3.44Å; E1645-L1647 PolarHBondContact O-N 2.99Å; L1647-S1649 VanDerWaalsContact C-N 3.31Å; L1647-S1649 PolarHBondContact O-N 2.94Å; L1647-R1650 PolarHBondContact O-N 2.69Å; L1647-L1653 HydrophobicContact CD2-CB 3.94Å; L1647-L1653 HydrophobicContact CG-CB 4.12Å; L1647-L1653 HydrophobicContact CG-CD1 4.31Å |
| 1648 | F | 93.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76 | -15.8 | -179.3 | -76.2 | -86 | 0 | 0 | 0 | 113.8 | L1608 I1644 E1645 R1650 A1657 L1662 L1665 L1697 I1698 A1701 S1702 | L1608-F1648 HydrophobicContact CD1-CE2 3.75Å; L1608-F1648 HydrophobicContact CD1-CZ 3.78Å; L1608-F1648 HydrophobicContact CD2-CE2 3.83Å; L1608-F1648 HydrophobicContact CG-CE2 4.47Å; I1644-F1648 HydrophobicContact CG2-CD2 3.65Å; I1644-F1648 HydrophobicContact CG2-CE2 3.89Å; I1644-F1648 WeakPolarHBondContact O-CD2 3.29Å; I1644-F1648 PolarHBondContact O-N 3.28Å; E1645-F1648 PolarHBondContact O-N 2.96Å; F1648-R1650 PolarHBondContact O-N 3.39Å; F1648-R1650 VanDerWaalsContact O-N 3.15Å; F1648-A1657 HydrophobicContact CE1-CB 4.5Å; F1648-A1657 HydrophobicContact CZ-CB 4.23Å; F1648-L1662 HydrophobicContact CE1-CD2 4.08Å; F1648-L1662 HydrophobicContact CZ-CD2 3.81Å; F1648-L1665 HydrophobicContact CE2-CD2 3.87Å; F1648-L1665 HydrophobicContact CZ-CD2 4.19Å; F1648-L1697 HydrophobicContact CB-CD2 4.05Å; F1648-L1697 HydrophobicContact CB-CG 3.94Å; F1648-I1698 HydrophobicContact CD1-CB 4.47Å; F1648-I1698 HydrophobicContact CD1-CG1 4.15Å; F1648-I1698 HydrophobicContact CD2-CD1 4.49Å; F1648-I1698 HydrophobicContact CD2-CG1 3.74Å; F1648-I1698 HydrophobicContact CE1-CB 4.47Å; F1648-I1698 HydrophobicContact CE1-CG1 4.25Å; F1648-I1698 HydrophobicContact CE1-CG2 4.15Å; F1648-I1698 HydrophobicContact CE2-CD1 4.36Å; F1648-I1698 HydrophobicContact CE2-CG1 3.84Å; F1648-I1698 HydrophobicContact CG-CG1 3.9Å; F1648-I1698 HydrophobicContact CZ-CG1 4.1Å; F1648-I1698 HydrophobicContact CZ-CG2 4.22Å; F1648-A1701 HydrophobicContact CB-CB 4.25Å; F1648-A1701 HydrophobicContact CD1-CB 4.15Å; F1648-A1701 WeakPolarHBondContact O-CB 3.49Å; F1648-S1702 WeakPolarHBondContact CE1-OG 3.35Å |
| 1649 | S | 87.7 | Confident | 89.8 | Confident | 66 Ų | 66 | 32.9 Ų | 32.9 | 46% | 0.462 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.1 | 168.6 | 77.7 | 0 | 0 | 0 | 0 | 113 | E1645 S1646 L1647 P1651 | E1645-S1649 VanDerWaalsContact O-CB 3.28Å; E1645-S1649 WeakPolarHBondContact O-CB 3.29Å; E1645-S1649 PolarHBondContact O-N 3.15Å; S1646-S1649 PolarHBondContact O-OG 3.17Å; L1647-S1649 VanDerWaalsContact C-N 3.31Å; L1647-S1649 PolarHBondContact O-N 2.94Å; S1649-P1651 WeakPolarHBondContact O-CD 3.4Å |
| 1650 | R | 86.6 | Confident | 90.3 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -106.4 | 99 | 170.7 | -60 | -173 | -173.9 | -99.2 | 10.5 | 109.3 | L1592 R1593 D1594 W1597 L1647 F1648 T1652 L1653 G1654 | L1592-R1650 PolarHBondContact O-NE 3.41Å; L1592-R1650 PolarHBondContact O-NH2 2.7Å; R1593-R1650 PolarHBondContact O-NH2 3.44Å; D1594-R1650 PolarHBondContact O-NH2 3.44Å; W1597-R1650 VanDerWaalsContact CG-CZ 3.46Å; L1647-R1650 PolarHBondContact O-N 2.69Å; F1648-R1650 PolarHBondContact O-N 3.39Å; F1648-R1650 VanDerWaalsContact O-N 3.15Å; R1650-T1652 PolarHBondContact O-N 3.41Å; R1650-L1653 HydrophobicContact CB-CD1 4.19Å; R1650-L1653 HydrophobicContact CB-CG 4.3Å; R1650-L1653 PolarHBondContact O-N 2.99Å; R1650-G1654 PolarHBondContact O-N 2.9Å; R1650-G1654 VanDerWaalsContact O-N 3.17Å |
| 1651 | P | 85 | Confident | 90.5 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -16.3 | -177.5 | -26.1 | 35.7 | 0 | 0 | 0 | 115 | S1649 R1655 A1701 | S1649-P1651 WeakPolarHBondContact O-CD 3.4Å; P1651-R1655 VanDerWaalsContact O-CB 3.23Å; P1651-R1655 WeakPolarHBondContact O-CB 3.5Å; P1651-R1655 WeakPolarHBondContact O-CD 3.29Å; P1651-R1655 WeakPolarHBondContact O-CG 3.35Å; P1651-R1655 PolarHBondContact O-N 3.04Å; P1651-A1701 HydrophobicContact CB-CB 4.41Å; P1651-A1701 HydrophobicContact CG-CB 4.37Å |
| 1652 | T | 85.6 | Confident | 90.8 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 47% | 0.472 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 169.2 | 41.7 | 0 | 0 | 0 | 0 | 112.2 | W1597 R1650 | W1597-T1652 HydrophobicContact CH2-CG2 4.19Å; W1597-T1652 VanDerWaalsContact CH2-OG1 3.32Å; W1597-T1652 WeakPolarHBondContact CH2-OG1 3.11Å; W1597-T1652 WeakPolarHBondContact CZ3-OG1 3.28Å; R1650-T1652 PolarHBondContact O-N 3.41Å |
| 1653 | L | 89 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.2 | -44.8 | 176 | -61.6 | 176 | 0 | 0 | 0 | 110.7 | L1592 W1597 L1601 V1604 L1647 R1650 R1655 E1656 A1657 | L1592-L1653 HydrophobicContact CD2-CD1 3.4Å; W1597-L1653 HydrophobicContact CE3-CD1 4.05Å; W1597-L1653 HydrophobicContact CE3-CD2 3.93Å; W1597-L1653 HydrophobicContact CE3-CG 3.88Å; W1597-L1653 HydrophobicContact CZ3-CD2 4.05Å; W1597-L1653 HydrophobicContact CZ3-CG 4.09Å; L1601-L1653 HydrophobicContact CD1-CD2 4.15Å; V1604-L1653 HydrophobicContact CG2-CB 4.04Å; V1604-L1653 HydrophobicContact CG2-CD2 3.76Å; V1604-L1653 HydrophobicContact CG2-CG 4.45Å; L1647-L1653 HydrophobicContact CD2-CB 3.94Å; L1647-L1653 HydrophobicContact CG-CB 4.12Å; L1647-L1653 HydrophobicContact CG-CD1 4.31Å; R1650-L1653 HydrophobicContact CB-CD1 4.19Å; R1650-L1653 HydrophobicContact CB-CG 4.3Å; R1650-L1653 PolarHBondContact O-N 2.99Å; L1653-R1655 VanDerWaalsContact C-N 3.25Å; L1653-R1655 PolarHBondContact O-N 2.95Å; L1653-E1656 PolarHBondContact O-N 3.01Å; L1653-A1657 PolarHBondContact O-N 3.37Å |
| 1654 | G | 89.1 | Confident | 91.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.8 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1650 E1656 A1657 A1701 S1702 | R1650-G1654 PolarHBondContact O-N 2.9Å; R1650-G1654 VanDerWaalsContact O-N 3.17Å; G1654-E1656 VanDerWaalsContact C-N 3.32Å; G1654-E1656 PolarHBondContact O-N 3.35Å; G1654-A1657 WeakPolarHBondContact O-CB 3.14Å; G1654-A1657 PolarHBondContact O-N 3.35Å; G1654-A1701 CarbonylContact C-O 3.57Å; G1654-S1702 WeakPolarHBondContact O-CA 3.43Å |
| 1655 | R | 89.7 | Confident | 91.5 | Very high | 120 Ų | 120 | 38.7 Ų | 38.7 | 45% | 0.453 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.2 | -23.2 | 174.9 | -78 | 171 | 175.1 | -131.6 | -8 | 114.3 | P1651 L1653 N1703 R1706 N1749 | P1651-R1655 VanDerWaalsContact O-CB 3.23Å; P1651-R1655 WeakPolarHBondContact O-CB 3.5Å; P1651-R1655 WeakPolarHBondContact O-CD 3.29Å; P1651-R1655 WeakPolarHBondContact O-CG 3.35Å; P1651-R1655 PolarHBondContact O-N 3.04Å; L1653-R1655 VanDerWaalsContact C-N 3.25Å; L1653-R1655 PolarHBondContact O-N 2.95Å; R1655-N1703 HydrophobicContact CG-CB 4.47Å; R1655-R1706 PolarHBondContact O-NH1 3.38Å; R1655-N1749 PolarHBondContact NH2-OD1 3.22Å |
| 1656 | E | 90.6 | Very high | 91.6 | Very high | 77 Ų | 77 | 35 Ų | 35 | 36% | 0.36 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -87.1 | -8.6 | 178.3 | -159 | 49.7 | -96.2 | 0 | 0 | 113.8 | N1605 L1653 G1654 S1658 R1706 | N1605-E1656 PolarHBondContact ND2-O 2.88Å; L1653-E1656 PolarHBondContact O-N 3.01Å; G1654-E1656 VanDerWaalsContact C-N 3.32Å; G1654-E1656 PolarHBondContact O-N 3.35Å; E1656-S1658 PolarHBondContact O-N 3.07Å; E1656-R1706 PolarHBondContact O-NH1 2.98Å; E1656-R1706 IonicContact OE1-CZ 3.75Å; E1656-R1706 IonicContact OE1-NH1 2.88Å; E1656-R1706 PolarHBondContact OE1-NH1 2.62Å; E1656-R1706 IonicContact OE1-NH2 2.87Å; E1656-R1706 PolarHBondContact OE1-NH2 3.13Å |
| 1657 | A | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -58.3 | 130.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1604 N1605 L1608 F1648 L1653 G1654 L1662 R1706 | V1604-A1657 HydrophobicContact CG1-CB 4.31Å; N1605-A1657 WeakPolarHBondContact OD1-CA 3.38Å; L1608-A1657 HydrophobicContact CD1-CB 3.97Å; F1648-A1657 HydrophobicContact CE1-CB 4.5Å; F1648-A1657 HydrophobicContact CZ-CB 4.23Å; L1653-A1657 PolarHBondContact O-N 3.37Å; G1654-A1657 WeakPolarHBondContact O-CB 3.14Å; G1654-A1657 PolarHBondContact O-N 3.35Å; A1657-L1662 HydrophobicContact CB-CD1 4.15Å; A1657-L1662 HydrophobicContact CB-CD2 3.71Å; A1657-L1662 HydrophobicContact CB-CG 3.79Å; A1657-R1706 WeakPolarHBondContact O-CD 3.32Å; A1657-R1706 PolarHBondContact O-NH1 3.32Å |
| 1658 | S | 94 | Very high | 91.8 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | trans | -75.5 | 161 | -178.1 | 84.8 | 0 | 0 | 0 | 0 | 111.4 | N1605 E1656 E1660 T1661 L1662 | N1605-S1658 WeakPolarHBondContact OD1-CB 3.11Å; N1605-S1658 PolarHBondContact OD1-N 3.08Å; E1656-S1658 PolarHBondContact O-N 3.07Å; S1658-E1660 PolarHBondContact O-N 2.99Å; S1658-E1660 PolarHBondContact OG-N 3.33Å; S1658-T1661 PolarHBondContact O-N 2.99Å; S1658-T1661 WeakPolarHBondContact OG-CB 3.37Å; S1658-T1661 PolarHBondContact OG-N 3.01Å; S1658-T1661 PolarHBondContact OG-OG1 3.1Å; S1658-L1662 WeakPolarHBondContact O-CB 3.25Å; S1658-L1662 VanDerWaalsContact O-CG 3.26Å; S1658-L1662 WeakPolarHBondContact O-CG 3.25Å; S1658-L1662 PolarHBondContact O-N 3.08Å | ||
| 1659 | R | 94.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 35.7 Ų | 35.7 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -54 | -42.1 | 174 | 178.4 | 173.9 | 70.7 | 170.7 | 0.1 | 111.8 | R1663 S1709 A1710 D1758 | R1659-R1663 WeakPolarHBondContact O-CB 3.46Å; R1659-R1663 PolarHBondContact O-N 2.97Å; R1659-S1709 VanDerWaalsContact CD-CB 3.42Å; R1659-A1710 HydrophobicContact CG-CB 4.17Å; R1659-A1710 WeakPolarHBondContact O-CB 3.39Å; R1659-D1758 VanDerWaalsContact NH1-CG 3.27Å; R1659-D1758 IonicContact NH1-OD1 3.58Å; R1659-D1758 PolarHBondContact NH1-OD1 3.11Å; R1659-D1758 IonicContact NH1-OD2 3.38Å; R1659-D1758 PolarHBondContact NH1-OD2 2.9Å |
| 1660 | E | 93.2 | Very high | 92 | Very high | 72 Ų | 72 | 32.7 Ų | 32.7 | 34% | 0.336 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -76.4 | -39.2 | -175 | -158.6 | 67.3 | 179.4 | 0 | 0 | 111.9 | S1658 L1662 R1663 E1664 R1713 | S1658-E1660 PolarHBondContact O-N 2.99Å; S1658-E1660 PolarHBondContact OG-N 3.33Å; E1660-L1662 VanDerWaalsContact C-N 3.32Å; E1660-L1662 PolarHBondContact O-N 3.25Å; E1660-R1663 WeakPolarHBondContact O-CB 3.35Å; E1660-R1663 PolarHBondContact O-N 3.12Å; E1660-R1663 VanDerWaalsContact O-N 3.15Å; E1660-R1663 IonicContact OE1-CZ 3.93Å; E1660-R1663 IonicContact OE1-NH1 2.74Å; E1660-R1663 PolarHBondContact OE1-NH1 2.95Å; E1660-R1663 IonicContact OE2-NH1 3.34Å; E1660-E1664 WeakPolarHBondContact O-CG 3.43Å; E1660-E1664 PolarHBondContact O-N 2.68Å; E1660-R1713 IonicContact OE1-NH2 3.99Å; E1660-R1713 IonicContact OE2-NE 2.71Å |
| 1661 | T | 94.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 171.3 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | N1605 L1608 S1658 L1665 | N1605-T1661 WeakPolarHBondContact OD1-CB 3.35Å; N1605-T1661 PolarHBondContact OD1-OG1 3.1Å; L1608-T1661 HydrophobicContact CB-CG2 3.51Å; L1608-T1661 HydrophobicContact CD1-CG2 4.04Å; L1608-T1661 HydrophobicContact CG-CG2 4.44Å; S1658-T1661 PolarHBondContact O-N 2.99Å; S1658-T1661 WeakPolarHBondContact OG-CB 3.37Å; S1658-T1661 PolarHBondContact OG-N 3.01Å; S1658-T1661 PolarHBondContact OG-OG1 3.1Å; T1661-L1665 WeakPolarHBondContact O-CB 3.45Å; T1661-L1665 PolarHBondContact O-N 2.97Å |
| 1662 | L | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -34.5 | 175.4 | -69 | 171.4 | 0 | 0 | 0 | 112.2 | F1648 A1657 S1658 E1660 S1666 I1698 S1702 R1706 I1707 A1710 | F1648-L1662 HydrophobicContact CE1-CD2 4.08Å; F1648-L1662 HydrophobicContact CZ-CD2 3.81Å; A1657-L1662 HydrophobicContact CB-CD1 4.15Å; A1657-L1662 HydrophobicContact CB-CD2 3.71Å; A1657-L1662 HydrophobicContact CB-CG 3.79Å; S1658-L1662 WeakPolarHBondContact O-CB 3.25Å; S1658-L1662 VanDerWaalsContact O-CG 3.26Å; S1658-L1662 WeakPolarHBondContact O-CG 3.25Å; S1658-L1662 PolarHBondContact O-N 3.08Å; E1660-L1662 VanDerWaalsContact C-N 3.32Å; E1660-L1662 PolarHBondContact O-N 3.25Å; L1662-S1666 WeakPolarHBondContact O-CB 3.44Å; L1662-S1666 PolarHBondContact O-N 3.36Å; L1662-S1666 PolarHBondContact O-OG 2.98Å; L1662-I1698 HydrophobicContact CD2-CG2 4.04Å; L1662-S1702 WeakPolarHBondContact CD2-OG 3.3Å; L1662-R1706 HydrophobicContact CD1-CB 3.94Å; L1662-I1707 HydrophobicContact CB-CD1 4.05Å; L1662-I1707 HydrophobicContact CD1-CB 4.19Å; L1662-I1707 HydrophobicContact CD1-CD1 4.43Å; L1662-I1707 HydrophobicContact CD2-CD1 4.35Å; L1662-A1710 HydrophobicContact CB-CB 4.17Å |
| 1663 | R | 95.2 | Very high | 92.6 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -55.9 | 175.3 | -165.3 | -171.1 | 123.2 | -75 | -29.9 | 111.1 | R1659 E1660 S1666 Q1667 A1710 L1714 E1717 | R1659-R1663 WeakPolarHBondContact O-CB 3.46Å; R1659-R1663 PolarHBondContact O-N 2.97Å; E1660-R1663 WeakPolarHBondContact O-CB 3.35Å; E1660-R1663 PolarHBondContact O-N 3.12Å; E1660-R1663 VanDerWaalsContact O-N 3.15Å; E1660-R1663 IonicContact OE1-CZ 3.93Å; E1660-R1663 IonicContact OE1-NH1 2.74Å; E1660-R1663 PolarHBondContact OE1-NH1 2.95Å; E1660-R1663 IonicContact OE2-NH1 3.34Å; R1663-S1666 PolarHBondContact O-N 3.29Å; R1663-Q1667 PolarHBondContact O-N 3.37Å; R1663-A1710 HydrophobicContact CB-CB 4.1Å; R1663-L1714 HydrophobicContact CG-CD1 4.4Å; R1663-L1714 HydrophobicContact CG-CD2 3.86Å; R1663-L1714 HydrophobicContact CG-CG 3.77Å; R1663-E1717 IonicContact CZ-OE1 3.57Å; R1663-E1717 IonicContact CZ-OE2 3.46Å; R1663-E1717 VanDerWaalsContact NE-CD 3.35Å; R1663-E1717 IonicContact NE-OE1 3.71Å; R1663-E1717 PolarHBondContact NE-OE1 3.31Å; R1663-E1717 IonicContact NE-OE2 3.11Å; R1663-E1717 PolarHBondContact NE-OE2 3.41Å; R1663-E1717 VanDerWaalsContact NE-OE2 3.1Å; R1663-E1717 IonicContact NH2-OE1 3.96Å; R1663-E1717 IonicContact NH2-OE2 2.74Å; R1663-E1717 PolarHBondContact NH2-OE2 3.12Å; R1663-E1717 VanDerWaalsContact NH2-OE2 3.13Å |
| 1664 | E | 95.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 30.2 Ų | 30.2 | 15% | 0.15 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | -178.2 | -66.1 | -80.3 | 122.3 | 0 | 0 | 111.5 | M1609 T1612 R1616 E1660 Q1667 S1668 | M1609-E1664 HydrophobicContact CE-CB 4.09Å; M1609-E1664 HydrophobicContact CE-CG 4.02Å; M1609-E1664 HydrophobicContact SD-CB 4.1Å; M1609-E1664 HydrophobicContact SD-CG 4.24Å; T1612-E1664 VanDerWaalsContact CG2-C 3.45Å; T1612-E1664 HydrophobicContact CG2-CB 3.9Å; T1612-E1664 WeakPolarHBondContact CG2-O 3.48Å; R1616-E1664 IonicContact CZ-OE2 2.73Å; R1616-E1664 IonicContact NH1-OE2 3.61Å; R1616-E1664 PolarHBondContact NH1-OE2 3.18Å; R1616-E1664 IonicContact NH2-OE2 3.49Å; R1616-E1664 PolarHBondContact NH2-OE2 3.46Å; E1660-E1664 WeakPolarHBondContact O-CG 3.43Å; E1660-E1664 PolarHBondContact O-N 2.68Å; E1664-Q1667 PolarHBondContact O-N 2.89Å; E1664-S1668 PolarHBondContact O-N 3.16Å |
| 1665 | L | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 177.7 | 179.3 | 65 | 0 | 0 | 0 | 111.9 | L1608 T1612 I1644 F1648 T1661 Q1667 S1668 L1669 I1698 | L1608-L1665 HydrophobicContact CD1-CD2 4.41Å; L1608-L1665 HydrophobicContact CD2-CD2 4.11Å; T1612-L1665 WeakPolarHBondContact OG1-CD1 3.24Å; I1644-L1665 HydrophobicContact CD1-CD1 4Å; I1644-L1665 HydrophobicContact CG2-CD2 4.37Å; F1648-L1665 HydrophobicContact CE2-CD2 3.87Å; F1648-L1665 HydrophobicContact CZ-CD2 4.19Å; T1661-L1665 WeakPolarHBondContact O-CB 3.45Å; T1661-L1665 PolarHBondContact O-N 2.97Å; L1665-Q1667 VanDerWaalsContact C-N 3.31Å; L1665-Q1667 PolarHBondContact O-N 3.47Å; L1665-S1668 PolarHBondContact O-N 2.71Å; L1665-L1669 HydrophobicContact CD1-CD1 3.9Å; L1665-L1669 HydrophobicContact CD1-CG 4.11Å; L1665-L1669 HydrophobicContact CG-CD1 3.97Å; L1665-L1669 WeakPolarHBondContact O-CB 3.33Å; L1665-L1669 WeakPolarHBondContact O-CG 3.46Å; L1665-L1669 PolarHBondContact O-N 3.46Å; L1665-I1698 HydrophobicContact CD2-CD1 3.88Å; L1665-I1698 HydrophobicContact CG-CD1 4.32Å |
| 1666 | S | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.9 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | L1662 R1663 L1670 F1695 | L1662-S1666 WeakPolarHBondContact O-CB 3.44Å; L1662-S1666 PolarHBondContact O-N 3.36Å; L1662-S1666 PolarHBondContact O-OG 2.98Å; R1663-S1666 PolarHBondContact O-N 3.29Å; S1666-L1670 VanDerWaalsContact O-CB 3.27Å; S1666-L1670 WeakPolarHBondContact O-CB 3.28Å; S1666-L1670 VanDerWaalsContact O-CG 3.29Å; S1666-L1670 WeakPolarHBondContact O-CG 3.27Å; S1666-L1670 PolarHBondContact O-N 3.02Å; S1666-F1695 WeakPolarHBondContact OG-CE2 3.46Å |
| 1667 | Q | 93.6 | Very high | 91.9 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 14% | 0.14 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 176.7 | -178.8 | 176.5 | -17.6 | 0 | 0 | 111.4 | R1663 E1664 L1665 Q1671 L1714 F1724 F1728 | R1663-Q1667 PolarHBondContact O-N 3.37Å; E1664-Q1667 PolarHBondContact O-N 2.89Å; L1665-Q1667 VanDerWaalsContact C-N 3.31Å; L1665-Q1667 PolarHBondContact O-N 3.47Å; Q1667-Q1671 WeakPolarHBondContact O-CB 3.43Å; Q1667-Q1671 PolarHBondContact O-N 2.92Å; Q1667-L1714 HydrophobicContact CB-CD1 4.5Å; Q1667-L1714 HydrophobicContact CB-CD2 3.99Å; Q1667-L1714 HydrophobicContact CG-CD2 4.48Å; Q1667-F1724 HydrophobicContact CG-CE1 4.26Å; Q1667-F1728 HydrophobicContact CB-CZ 4.34Å; Q1667-F1728 HydrophobicContact CG-CE2 4.37Å; Q1667-F1728 HydrophobicContact CG-CZ 4.04Å |
| 1668 | S | 91.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | -176.4 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | L1615 E1664 L1665 M1672 | L1615-S1668 VanDerWaalsContact CB-OG 3.28Å; L1615-S1668 WeakPolarHBondContact CB-OG 3.42Å; E1664-S1668 PolarHBondContact O-N 3.16Å; L1665-S1668 PolarHBondContact O-N 2.71Å; S1668-M1672 WeakPolarHBondContact O-CB 3.33Å; S1668-M1672 PolarHBondContact O-N 3.08Å |
| 1669 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -49.9 | 176.6 | -72.8 | 174.1 | 0 | 0 | 0 | 111.5 | L1615 L1641 I1644 L1665 Q1671 M1672 M1673 I1691 L1694 F1695 I1698 | L1615-L1669 HydrophobicContact CD1-CD2 3.87Å; L1641-L1669 HydrophobicContact CD2-CD2 3.77Å; I1644-L1669 HydrophobicContact CD1-CD2 4.32Å; L1665-L1669 HydrophobicContact CD1-CD1 3.9Å; L1665-L1669 HydrophobicContact CD1-CG 4.11Å; L1665-L1669 HydrophobicContact CG-CD1 3.97Å; L1665-L1669 WeakPolarHBondContact O-CB 3.33Å; L1665-L1669 WeakPolarHBondContact O-CG 3.46Å; L1665-L1669 PolarHBondContact O-N 3.46Å; L1669-Q1671 VanDerWaalsContact C-N 3.28Å; L1669-Q1671 PolarHBondContact O-N 2.9Å; L1669-M1672 HydrophobicContact CD2-CE 4.49Å; L1669-M1672 PolarHBondContact O-N 3.16Å; L1669-M1673 VanDerWaalsContact O-CB 3.3Å; L1669-M1673 WeakPolarHBondContact O-CB 3.5Å; L1669-M1673 PolarHBondContact O-N 3.12Å; L1669-I1691 HydrophobicContact CB-CG2 3.96Å; L1669-I1691 HydrophobicContact CD2-CG2 4.21Å; L1669-L1694 HydrophobicContact CD1-CD2 4.29Å; L1669-L1694 HydrophobicContact CD2-CD2 4.2Å; L1669-F1695 HydrophobicContact CD1-CD2 4.44Å; L1669-I1698 HydrophobicContact CD1-CD1 3.45Å; L1669-I1698 VanDerWaalsContact CD1-CD1 3.45Å |
| 1670 | L | 92.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -29.1 | 179.4 | -70.9 | 178 | 0 | 0 | 0 | 113 | S1666 M1673 L1674 F1695 F1728 A1731 I1732 | S1666-L1670 VanDerWaalsContact O-CB 3.27Å; S1666-L1670 WeakPolarHBondContact O-CB 3.28Å; S1666-L1670 VanDerWaalsContact O-CG 3.29Å; S1666-L1670 WeakPolarHBondContact O-CG 3.27Å; S1666-L1670 PolarHBondContact O-N 3.02Å; L1670-M1673 HydrophobicContact CD2-CE 3.57Å; L1670-M1673 HydrophobicContact CD2-SD 4.18Å; L1670-L1674 WeakPolarHBondContact O-CB 3.27Å; L1670-L1674 WeakPolarHBondContact O-CD1 3.34Å; L1670-L1674 WeakPolarHBondContact O-CG 3.47Å; L1670-L1674 PolarHBondContact O-N 3.21Å; L1670-F1695 HydrophobicContact CD1-CE1 3.76Å; L1670-F1695 HydrophobicContact CD1-CZ 3.75Å; L1670-F1695 HydrophobicContact CD2-CD1 3.78Å; L1670-F1695 HydrophobicContact CD2-CE1 3.78Å; L1670-F1695 HydrophobicContact CD2-CG 4.36Å; L1670-F1695 HydrophobicContact CD2-CZ 4.37Å; L1670-F1695 HydrophobicContact CG-CD1 4.29Å; L1670-F1695 HydrophobicContact CG-CE1 3.94Å; L1670-F1695 HydrophobicContact CG-CE2 4.44Å; L1670-F1695 HydrophobicContact CG-CZ 4.03Å; L1670-F1728 HydrophobicContact CB-CD2 4.04Å; L1670-F1728 HydrophobicContact CB-CE2 3.64Å; L1670-F1728 HydrophobicContact CB-CZ 4.43Å; L1670-A1731 HydrophobicContact CD1-CB 4.29Å; L1670-A1731 HydrophobicContact CD2-CB 4.05Å; L1670-I1732 HydrophobicContact CD1-CD1 3.54Å; L1670-I1732 HydrophobicContact CD1-CG1 4.39Å |
| 1671 | Q | 90.4 | Very high | 89.4 | Confident | 85 Ų | 85 | 34.2 Ų | 34.2 | 40% | 0.397 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.2 | -47.5 | 174.3 | -175.5 | 168.7 | -13.4 | 0 | 0 | 111.1 | Q1667 L1669 M1673 L1674 D1675 F1728 | Q1667-Q1671 WeakPolarHBondContact O-CB 3.43Å; Q1667-Q1671 PolarHBondContact O-N 2.92Å; L1669-Q1671 VanDerWaalsContact C-N 3.28Å; L1669-Q1671 PolarHBondContact O-N 2.9Å; Q1671-M1673 VanDerWaalsContact C-N 3.32Å; Q1671-M1673 PolarHBondContact O-N 3.38Å; Q1671-L1674 CarbonylContact O-C 3.51Å; Q1671-L1674 PolarHBondContact O-N 3.42Å; Q1671-L1674 VanDerWaalsContact O-N 3.1Å; Q1671-D1675 PolarHBondContact O-N 3.09Å; Q1671-F1728 HydrophobicContact CB-CE2 4.44Å |
| 1672 | M | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 175.9 | -175 | 169.8 | 70.4 | 0 | 0 | 112.2 | L1615 V1618 T1619 I1637 L1641 S1668 L1669 L1674 D1675 T1678 I1691 | L1615-M1672 HydrophobicContact CD2-CE 3.75Å; L1615-M1672 HydrophobicContact CD2-SD 3.92Å; V1618-M1672 HydrophobicContact CG1-SD 4.22Å; T1619-M1672 HydrophobicContact CG2-CB 3.93Å; T1619-M1672 HydrophobicContact CG2-CG 4.09Å; I1637-M1672 HydrophobicContact CG2-CE 4.22Å; I1637-M1672 HydrophobicContact CG2-SD 4.39Å; L1641-M1672 HydrophobicContact CD2-CE 4.19Å; S1668-M1672 WeakPolarHBondContact O-CB 3.33Å; S1668-M1672 PolarHBondContact O-N 3.08Å; L1669-M1672 HydrophobicContact CD2-CE 4.49Å; L1669-M1672 PolarHBondContact O-N 3.16Å; M1672-L1674 PolarHBondContact O-N 3.04Å; M1672-D1675 PolarHBondContact O-N 2.64Å; M1672-T1678 WeakPolarHBondContact O-CB 3.5Å; M1672-T1678 PolarHBondContact O-OG1 2.88Å; M1672-I1691 HydrophobicContact CB-CD1 4.49Å; M1672-I1691 HydrophobicContact CE-CD1 3.67Å; M1672-I1691 HydrophobicContact CE-CG1 3.97Å; M1672-I1691 HydrophobicContact CG-CD1 4.2Å |
| 1673 | M | 89.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 39.8 Ų | 39.8 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.8 | 176 | -169.3 | -168 | 73.1 | 0 | 0 | 114.1 | L1669 L1670 Q1671 I1688 I1691 N1692 | L1669-M1673 VanDerWaalsContact O-CB 3.3Å; L1669-M1673 WeakPolarHBondContact O-CB 3.5Å; L1669-M1673 PolarHBondContact O-N 3.12Å; L1670-M1673 HydrophobicContact CD2-CE 3.57Å; L1670-M1673 HydrophobicContact CD2-SD 4.18Å; Q1671-M1673 VanDerWaalsContact C-N 3.32Å; Q1671-M1673 PolarHBondContact O-N 3.38Å; M1673-I1688 HydrophobicContact CG-CG2 4.2Å; M1673-I1691 HydrophobicContact CB-CB 4.27Å; M1673-I1691 HydrophobicContact CB-CD1 4.02Å; M1673-I1691 HydrophobicContact CB-CG2 3.84Å; M1673-I1691 HydrophobicContact CG-CB 4.26Å; M1673-I1691 HydrophobicContact CG-CG2 4.14Å; M1673-I1691 HydrophobicContact SD-CG2 4.23Å; M1673-N1692 VanDerWaalsContact SD-CG 3.54Å; M1673-N1692 PolarHBondContact SD-ND2 3.08Å |
| 1674 | L | 88.3 | Confident | 86.6 | Confident | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 1.6 | -176.9 | -66.6 | 176.5 | 0 | 0 | 0 | 113.3 | L1670 Q1671 M1672 R1727 F1728 A1731 | L1670-L1674 WeakPolarHBondContact O-CB 3.27Å; L1670-L1674 WeakPolarHBondContact O-CD1 3.34Å; L1670-L1674 WeakPolarHBondContact O-CG 3.47Å; L1670-L1674 PolarHBondContact O-N 3.21Å; Q1671-L1674 CarbonylContact O-C 3.51Å; Q1671-L1674 PolarHBondContact O-N 3.42Å; Q1671-L1674 VanDerWaalsContact O-N 3.1Å; M1672-L1674 PolarHBondContact O-N 3.04Å; L1674-R1727 HydrophobicContact CD1-CB 4.09Å; L1674-R1727 HydrophobicContact CD2-CB 4.12Å; L1674-F1728 VanDerWaalsContact CD1-CA 3.46Å; L1674-F1728 HydrophobicContact CD1-CB 3.97Å; L1674-F1728 HydrophobicContact CD1-CD2 4.33Å; L1674-A1731 HydrophobicContact CD1-CB 4.46Å |
| 1675 | D | 86.3 | Confident | 85.9 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | trans | -77.9 | 122.9 | 171 | -160.4 | -44.8 | 0 | 0 | 0 | 108.7 | F1623 Q1671 M1672 R1677 T1678 | F1623-D1675 HydrophobicContact CE2-CB 4.46Å; Q1671-D1675 PolarHBondContact O-N 3.09Å; M1672-D1675 PolarHBondContact O-N 2.64Å; D1675-R1677 PolarHBondContact O-N 2.96Å; D1675-R1677 WeakPolarHBondContact OD1-CB 3.31Å; D1675-R1677 IonicContact OD1-CZ 3.93Å; D1675-R1677 PolarHBondContact OD1-N 3.28Å; D1675-R1677 IonicContact OD1-NE 3.62Å; D1675-R1677 PolarHBondContact OD1-NE 3.32Å; D1675-R1677 IonicContact OD1-NH2 2.76Å; D1675-R1677 IonicContact OD2-CZ 3.68Å; D1675-R1677 IonicContact OD2-NE 3.51Å; D1675-R1677 IonicContact OD2-NH2 3.13Å; D1675-R1677 PolarHBondContact OD2-NH2 2.97Å; D1675-T1678 VanDerWaalsContact O-CB 3.28Å; D1675-T1678 WeakPolarHBondContact O-CB 3.31Å; D1675-T1678 PolarHBondContact O-N 2.94Å; D1675-T1678 PolarHBondContact O-OG1 3.08Å | ||
| 1676 | E | 84.2 | Confident | 85.2 | Confident | 110 Ų | 110 | 48.1 Ų | 48.1 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69 | -22.8 | -172.7 | -59.2 | -170.7 | 138.7 | 0 | 0 | 111.4 | T1678 S1679 E1680 R1727 | E1676-T1678 PolarHBondContact O-N 3.44Å; E1676-S1679 PolarHBondContact O-N 3.06Å; E1676-S1679 PolarHBondContact O-OG 2.87Å; E1676-E1680 WeakPolarHBondContact O-CG 3.39Å; E1676-E1680 PolarHBondContact O-N 3.26Å; E1676-R1727 IonicContact OE1-CZ 2.72Å; E1676-R1727 IonicContact OE1-NH1 3.47Å; E1676-R1727 PolarHBondContact OE1-NH1 2.97Å; E1676-R1727 IonicContact OE1-NH2 2.67Å; E1676-R1727 PolarHBondContact OE1-NH2 3.43Å; E1676-R1727 VanDerWaalsContact OE1-NH2 3.09Å |
| 1677 | R | 84.4 | Confident | 84.6 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -28.5 | 171.1 | -61.7 | 173.7 | -64.8 | 167.8 | -0.1 | 112.7 | T1619 F1623 D1675 S1679 E1680 M1681 | T1619-R1677 PolarHBondContact O-NH2 2.9Å; F1623-R1677 VanDerWaalsContact CB-NH1 3.25Å; F1623-R1677 HydrophobicContact CD1-CB 4.49Å; F1623-R1677 HydrophobicContact CD2-CB 4.17Å; F1623-R1677 HydrophobicContact CE2-CB 4.45Å; F1623-R1677 HydrophobicContact CG-CB 4.22Å; F1623-R1677 PolarHBondContact O-NH1 3.37Å; F1623-R1677 VanDerWaalsContact O-NH1 3.11Å; D1675-R1677 PolarHBondContact O-N 2.96Å; D1675-R1677 WeakPolarHBondContact OD1-CB 3.31Å; D1675-R1677 IonicContact OD1-CZ 3.93Å; D1675-R1677 PolarHBondContact OD1-N 3.28Å; D1675-R1677 IonicContact OD1-NE 3.62Å; D1675-R1677 PolarHBondContact OD1-NE 3.32Å; D1675-R1677 IonicContact OD1-NH2 2.76Å; D1675-R1677 IonicContact OD2-CZ 3.68Å; D1675-R1677 IonicContact OD2-NE 3.51Å; D1675-R1677 IonicContact OD2-NH2 3.13Å; D1675-R1677 PolarHBondContact OD2-NH2 2.97Å; R1677-S1679 VanDerWaalsContact C-N 3.3Å; R1677-S1679 PolarHBondContact O-N 3.2Å; R1677-E1680 PolarHBondContact O-N 3.46Å; R1677-M1681 VanDerWaalsContact O-CG 3.27Å; R1677-M1681 WeakPolarHBondContact O-CG 3.32Å |
| 1678 | T | 84.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -32.1 | 173.8 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | F1623 M1672 D1675 E1676 M1681 G1684 V1687 I1688 | F1623-T1678 WeakPolarHBondContact CE2-OG1 3.41Å; F1623-T1678 VanDerWaalsContact CZ-OG1 3.29Å; F1623-T1678 WeakPolarHBondContact CZ-OG1 3.3Å; M1672-T1678 WeakPolarHBondContact O-CB 3.5Å; M1672-T1678 PolarHBondContact O-OG1 2.88Å; D1675-T1678 VanDerWaalsContact O-CB 3.28Å; D1675-T1678 WeakPolarHBondContact O-CB 3.31Å; D1675-T1678 PolarHBondContact O-N 2.94Å; D1675-T1678 PolarHBondContact O-OG1 3.08Å; E1676-T1678 PolarHBondContact O-N 3.44Å; T1678-M1681 HydrophobicContact CG2-SD 4.44Å; T1678-M1681 WeakPolarHBondContact O-CG 3.48Å; T1678-G1684 WeakPolarHBondContact O-CA 3.44Å; T1678-V1687 HydrophobicContact CG2-CB 4.36Å; T1678-V1687 HydrophobicContact CG2-CG1 3.78Å; T1678-I1688 HydrophobicContact CG2-CD1 4.5Å; T1678-I1688 HydrophobicContact CG2-CG1 3.99Å |
| 1679 | S | 81.3 | Confident | 84 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80.3 | -20.7 | 174.8 | 33.7 | 0 | 0 | 0 | 0 | 114.2 | E1676 R1677 M1681 | E1676-S1679 PolarHBondContact O-N 3.06Å; E1676-S1679 PolarHBondContact O-OG 2.87Å; R1677-S1679 VanDerWaalsContact C-N 3.3Å; R1677-S1679 PolarHBondContact O-N 3.2Å; S1679-M1681 VanDerWaalsContact C-N 3.33Å |
| 1680 | E | 79.4 | Confident | 83.5 | Confident | 154 Ų | 154 | 53.1 Ų | 53.1 | 72% | 0.72 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -78.5 | -15.3 | 178.6 | -68.7 | 171.2 | 158.6 | 0 | 0 | 113.4 | E1676 R1677 | E1676-E1680 WeakPolarHBondContact O-CG 3.39Å; E1676-E1680 PolarHBondContact O-N 3.26Å; R1677-E1680 PolarHBondContact O-N 3.46Å |
| 1681 | M | 77.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -67.3 | 149.2 | 178.1 | -47.1 | 177.7 | 85.3 | 0 | 0 | 112.1 | F1623 L1633 H1634 I1637 R1677 T1678 S1679 S1683 G1684 | F1623-M1681 HydrophobicContact CE1-CE 3.84Å; F1623-M1681 HydrophobicContact CE1-CG 4.36Å; F1623-M1681 HydrophobicContact CE1-SD 3.67Å; F1623-M1681 HydrophobicContact CZ-SD 4.12Å; L1633-M1681 HydrophobicContact CD2-CE 3.94Å; L1633-M1681 HydrophobicContact CG-CE 4.06Å; H1634-M1681 WeakPolarHBondContact CD2-CE 3.4Å; H1634-M1681 WeakPolarHBondContact NE2-CE 3.13Å; I1637-M1681 HydrophobicContact CD1-CE 3.83Å; I1637-M1681 HydrophobicContact CD1-SD 4.34Å; R1677-M1681 VanDerWaalsContact O-CG 3.27Å; R1677-M1681 WeakPolarHBondContact O-CG 3.32Å; T1678-M1681 HydrophobicContact CG2-SD 4.44Å; T1678-M1681 WeakPolarHBondContact O-CG 3.48Å; S1679-M1681 VanDerWaalsContact C-N 3.33Å; M1681-S1683 PolarHBondContact O-N 3.21Å; M1681-G1684 PolarHBondContact O-N 2.98Å |
| 1682 | S | 74.6 | Confident | 83.4 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -11.7 | 179.8 | 60.5 | 0 | 0 | 0 | 0 | 115.4 | E1630 H1634 | E1630-S1682 WeakPolarHBondContact OE1-CB 3.38Å; E1630-S1682 PolarHBondContact OE1-N 2.91Å; E1630-S1682 PolarHBondContact OE1-OG 3.37Å; H1634-S1682 PolarHBondContact CE1-OG 3.08Å; H1634-S1682 VanDerWaalsContact CE1-OG 3.3Å |
| 1683 | S | 72.3 | Confident | 83.4 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 26.1 | 167.3 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | H1634 M1681 E1685 N1686 V1687 | H1634-S1683 PolarHBondContact CE1-OG 3.04Å; H1634-S1683 VanDerWaalsContact CE1-OG 3.23Å; H1634-S1683 PolarHBondContact ND1-OG 3.43Å; M1681-S1683 PolarHBondContact O-N 3.21Å; S1683-E1685 PolarHBondContact O-N 3Å; S1683-N1686 PolarHBondContact O-N 2.9Å; S1683-N1686 VanDerWaalsContact O-N 3.12Å; S1683-V1687 PolarHBondContact O-N 2.93Å; S1683-V1687 VanDerWaalsContact O-N 3.12Å |
| 1684 | G | 79.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1678 M1681 N1686 V1687 I1688 | T1678-G1684 WeakPolarHBondContact O-CA 3.44Å; M1681-G1684 PolarHBondContact O-N 2.98Å; G1684-N1686 VanDerWaalsContact C-N 3.27Å; G1684-N1686 PolarHBondContact O-N 3.48Å; G1684-V1687 WeakPolarHBondContact O-CB 3.37Å; G1684-V1687 PolarHBondContact O-N 2.88Å; G1684-V1687 VanDerWaalsContact O-N 3.15Å; G1684-I1688 WeakPolarHBondContact O-CG1 3.33Å; G1684-I1688 PolarHBondContact O-N 3.5Å |
| 1685 | E | 81.4 | Confident | 83.7 | Confident | 145 Ų | 145 | 52.7 Ų | 52.7 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.4 | -35.4 | 177.2 | -61.2 | -160.9 | 150.3 | 0 | 0 | 112.6 | S1683 I1688 R1689 | S1683-E1685 PolarHBondContact O-N 3Å; E1685-I1688 PolarHBondContact O-N 3.35Å; E1685-R1689 WeakPolarHBondContact O-CB 3.49Å; E1685-R1689 VanDerWaalsContact O-CG 3.32Å; E1685-R1689 WeakPolarHBondContact O-CG 3.45Å; E1685-R1689 PolarHBondContact O-N 2.91Å |
| 1686 | N | 79.5 | Confident | 84 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.3 | -35.6 | 177.5 | -68.1 | -13.7 | 0 | 0 | 0 | 111.5 | S1683 G1684 R1689 S1690 | S1683-N1686 PolarHBondContact O-N 2.9Å; S1683-N1686 VanDerWaalsContact O-N 3.12Å; G1684-N1686 VanDerWaalsContact C-N 3.27Å; G1684-N1686 PolarHBondContact O-N 3.48Å; N1686-R1689 PolarHBondContact OD1-NH2 3.4Å; N1686-S1690 WeakPolarHBondContact O-CB 3.31Å; N1686-S1690 PolarHBondContact O-N 2.81Å; N1686-S1690 PolarHBondContact O-OG 3.31Å |
| 1687 | V | 83.1 | Confident | 84.4 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 170.5 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | I1637 L1641 T1678 S1683 G1684 R1689 S1690 I1691 | I1637-V1687 HydrophobicContact CG2-CG1 3.94Å; I1637-V1687 HydrophobicContact CG2-CG2 4.5Å; L1641-V1687 HydrophobicContact CD1-CG1 4.39Å; T1678-V1687 HydrophobicContact CG2-CB 4.36Å; T1678-V1687 HydrophobicContact CG2-CG1 3.78Å; S1683-V1687 PolarHBondContact O-N 2.93Å; S1683-V1687 VanDerWaalsContact O-N 3.12Å; G1684-V1687 WeakPolarHBondContact O-CB 3.37Å; G1684-V1687 PolarHBondContact O-N 2.88Å; G1684-V1687 VanDerWaalsContact O-N 3.15Å; V1687-R1689 PolarHBondContact O-N 3.33Å; V1687-S1690 WeakPolarHBondContact O-CB 3.4Å; V1687-S1690 PolarHBondContact O-N 3.46Å; V1687-I1691 HydrophobicContact CG1-CD1 3.85Å; V1687-I1691 HydrophobicContact CG1-CG1 4.39Å; V1687-I1691 VanDerWaalsContact O-CG1 3.28Å; V1687-I1691 WeakPolarHBondContact O-CG1 3.32Å; V1687-I1691 PolarHBondContact O-N 3.28Å |
| 1688 | I | 86.4 | Confident | 84.8 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.2 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 177.6 | -68.3 | 166 | 0 | 0 | 0 | 111.4 | M1673 T1678 G1684 E1685 I1691 N1692 | M1673-I1688 HydrophobicContact CG-CG2 4.2Å; T1678-I1688 HydrophobicContact CG2-CD1 4.5Å; T1678-I1688 HydrophobicContact CG2-CG1 3.99Å; G1684-I1688 WeakPolarHBondContact O-CG1 3.33Å; G1684-I1688 PolarHBondContact O-N 3.5Å; E1685-I1688 PolarHBondContact O-N 3.35Å; I1688-I1691 PolarHBondContact O-N 2.65Å; I1688-N1692 PolarHBondContact O-N 3.32Å; I1688-N1692 VanDerWaalsContact O-N 3.08Å; I1688-N1692 PolarHBondContact O-ND2 2.69Å |
| 1689 | R | 85.8 | Confident | 85.1 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 26% | 0.26 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 173.3 | -74 | -166.5 | -73.9 | 175.2 | -8.1 | 112 | D1533 V1538 E1685 N1686 V1687 N1692 A1693 | D1533-R1689 PolarHBondContact O-NH1 3.45Å; D1533-R1689 PolarHBondContact O-NH2 3.38Å; V1538-R1689 HydrophobicContact CG1-CB 4.35Å; V1538-R1689 HydrophobicContact CG2-CB 3.96Å; E1685-R1689 WeakPolarHBondContact O-CB 3.49Å; E1685-R1689 VanDerWaalsContact O-CG 3.32Å; E1685-R1689 WeakPolarHBondContact O-CG 3.45Å; E1685-R1689 PolarHBondContact O-N 2.91Å; N1686-R1689 PolarHBondContact OD1-NH2 3.4Å; V1687-R1689 PolarHBondContact O-N 3.33Å; R1689-N1692 PolarHBondContact O-N 3.46Å; R1689-A1693 PolarHBondContact O-N 2.74Å |
| 1690 | S | 83.9 | Confident | 85.5 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | V1538 N1686 V1687 N1692 A1693 L1694 | V1538-S1690 VanDerWaalsContact CG1-OG 3.29Å; V1538-S1690 WeakPolarHBondContact CG1-OG 3.41Å; N1686-S1690 WeakPolarHBondContact O-CB 3.31Å; N1686-S1690 PolarHBondContact O-N 2.81Å; N1686-S1690 PolarHBondContact O-OG 3.31Å; V1687-S1690 WeakPolarHBondContact O-CB 3.4Å; V1687-S1690 PolarHBondContact O-N 3.46Å; S1690-N1692 VanDerWaalsContact C-N 3.34Å; S1690-N1692 PolarHBondContact O-N 2.92Å; S1690-A1693 PolarHBondContact O-N 3.37Å; S1690-L1694 WeakPolarHBondContact O-CB 3.2Å; S1690-L1694 PolarHBondContact O-N 2.71Å |
| 1691 | I | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.9 | -58.6 | 157.4 | 0 | 0 | 0 | 111.1 | L1641 L1669 M1672 M1673 V1687 I1688 F1695 | L1641-I1691 HydrophobicContact CD1-CG1 4.14Å; L1641-I1691 HydrophobicContact CD2-CG1 3.96Å; L1669-I1691 HydrophobicContact CB-CG2 3.96Å; L1669-I1691 HydrophobicContact CD2-CG2 4.21Å; M1672-I1691 HydrophobicContact CB-CD1 4.49Å; M1672-I1691 HydrophobicContact CE-CD1 3.67Å; M1672-I1691 HydrophobicContact CE-CG1 3.97Å; M1672-I1691 HydrophobicContact CG-CD1 4.2Å; M1673-I1691 HydrophobicContact CB-CB 4.27Å; M1673-I1691 HydrophobicContact CB-CD1 4.02Å; M1673-I1691 HydrophobicContact CB-CG2 3.84Å; M1673-I1691 HydrophobicContact CG-CB 4.26Å; M1673-I1691 HydrophobicContact CG-CG2 4.14Å; M1673-I1691 HydrophobicContact SD-CG2 4.23Å; V1687-I1691 HydrophobicContact CG1-CD1 3.85Å; V1687-I1691 HydrophobicContact CG1-CG1 4.39Å; V1687-I1691 VanDerWaalsContact O-CG1 3.28Å; V1687-I1691 WeakPolarHBondContact O-CG1 3.32Å; V1687-I1691 PolarHBondContact O-N 3.28Å; I1688-I1691 PolarHBondContact O-N 2.65Å; I1691-F1695 WeakPolarHBondContact O-CB 3.45Å; I1691-F1695 PolarHBondContact O-N 3.1Å |
| 1692 | N | 89.4 | Confident | 86.7 | Confident | 81 Ų | 81 | 42 Ų | 42 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 176.1 | -85.6 | -83.5 | 0 | 0 | 0 | 112.2 | M1673 I1688 R1689 S1690 V1696 | M1673-N1692 VanDerWaalsContact SD-CG 3.54Å; M1673-N1692 PolarHBondContact SD-ND2 3.08Å; I1688-N1692 PolarHBondContact O-N 3.32Å; I1688-N1692 VanDerWaalsContact O-N 3.08Å; I1688-N1692 PolarHBondContact O-ND2 2.69Å; R1689-N1692 PolarHBondContact O-N 3.46Å; S1690-N1692 VanDerWaalsContact C-N 3.34Å; S1690-N1692 PolarHBondContact O-N 2.92Å; N1692-V1696 WeakPolarHBondContact O-CG2 3.35Å; N1692-V1696 PolarHBondContact O-N 3.19Å; N1692-V1696 VanDerWaalsContact O-N 3.07Å |
| 1693 | A | 89.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 45% | 0.446 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1689 S1690 F1695 V1696 L1697 | R1689-A1693 PolarHBondContact O-N 2.74Å; S1690-A1693 PolarHBondContact O-N 3.37Å; A1693-F1695 PolarHBondContact O-N 3.47Å; A1693-V1696 WeakPolarHBondContact O-CB 3.45Å; A1693-V1696 PolarHBondContact O-N 2.76Å; A1693-L1697 PolarHBondContact O-N 3.27Å |
| 1694 | L | 91 | Very high | 88.4 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.9 | -178.9 | 63.3 | 0 | 0 | 0 | 112.2 | L1641 I1644 E1645 L1669 S1690 V1696 L1697 I1698 | L1641-L1694 HydrophobicContact CB-CD2 4.29Å; L1641-L1694 HydrophobicContact CD2-CD2 3.47Å; L1641-L1694 VanDerWaalsContact CD2-CD2 3.47Å; L1641-L1694 HydrophobicContact CG-CD2 4.48Å; I1644-L1694 HydrophobicContact CB-CD1 4.12Å; I1644-L1694 HydrophobicContact CB-CD2 3.95Å; I1644-L1694 HydrophobicContact CD1-CD2 4.1Å; I1644-L1694 HydrophobicContact CG2-CD1 3.83Å; I1644-L1694 HydrophobicContact CG2-CD2 3.98Å; I1644-L1694 HydrophobicContact CG2-CG 4.15Å; E1645-L1694 HydrophobicContact CB-CD1 3.82Å; E1645-L1694 HydrophobicContact CG-CD1 4.43Å; L1669-L1694 HydrophobicContact CD1-CD2 4.29Å; L1669-L1694 HydrophobicContact CD2-CD2 4.2Å; S1690-L1694 WeakPolarHBondContact O-CB 3.2Å; S1690-L1694 PolarHBondContact O-N 2.71Å; L1694-V1696 VanDerWaalsContact C-N 3.31Å; L1694-V1696 PolarHBondContact O-N 2.81Å; L1694-L1697 WeakPolarHBondContact O-CB 3.42Å; L1694-L1697 PolarHBondContact O-N 2.93Å; L1694-L1697 VanDerWaalsContact O-N 3.16Å; L1694-I1698 HydrophobicContact CG-CD1 4.29Å; L1694-I1698 WeakPolarHBondContact O-CG1 3.22Å; L1694-I1698 PolarHBondContact O-N 2.94Å |
| 1695 | F | 93.9 | Very high | 89.1 | Confident | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -37.1 | 179.3 | -167 | -120.4 | 0 | 0 | 0 | 111.4 | S1666 L1669 L1670 I1691 A1693 I1698 L1699 L1711 S1735 | S1666-F1695 WeakPolarHBondContact OG-CE2 3.46Å; L1669-F1695 HydrophobicContact CD1-CD2 4.44Å; L1670-F1695 HydrophobicContact CD1-CE1 3.76Å; L1670-F1695 HydrophobicContact CD1-CZ 3.75Å; L1670-F1695 HydrophobicContact CD2-CD1 3.78Å; L1670-F1695 HydrophobicContact CD2-CE1 3.78Å; L1670-F1695 HydrophobicContact CD2-CG 4.36Å; L1670-F1695 HydrophobicContact CD2-CZ 4.37Å; L1670-F1695 HydrophobicContact CG-CD1 4.29Å; L1670-F1695 HydrophobicContact CG-CE1 3.94Å; L1670-F1695 HydrophobicContact CG-CE2 4.44Å; L1670-F1695 HydrophobicContact CG-CZ 4.03Å; I1691-F1695 WeakPolarHBondContact O-CB 3.45Å; I1691-F1695 PolarHBondContact O-N 3.1Å; A1693-F1695 PolarHBondContact O-N 3.47Å; F1695-I1698 HydrophobicContact CD2-CD1 4.38Å; F1695-I1698 WeakPolarHBondContact O-CB 3.21Å; F1695-I1698 PolarHBondContact O-N 3.37Å; F1695-L1699 HydrophobicContact CE1-CD1 4.48Å; F1695-L1699 HydrophobicContact CE1-CD2 4.42Å; F1695-L1699 HydrophobicContact CZ-CD2 4.29Å; F1695-L1699 WeakPolarHBondContact O-CG 3.32Å; F1695-L1699 PolarHBondContact O-N 3.22Å; F1695-L1711 HydrophobicContact CZ-CD2 4.28Å; F1695-S1735 WeakPolarHBondContact CE1-OG 3.32Å |
| 1696 | V | 92.2 | Very high | 89.7 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 26% | 0.255 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 169.9 | 163.8 | 0 | 0 | 0 | 0 | 112 | N1692 A1693 L1694 I1698 L1699 E1700 R1738 | N1692-V1696 WeakPolarHBondContact O-CG2 3.35Å; N1692-V1696 PolarHBondContact O-N 3.19Å; N1692-V1696 VanDerWaalsContact O-N 3.07Å; A1693-V1696 WeakPolarHBondContact O-CB 3.45Å; A1693-V1696 PolarHBondContact O-N 2.76Å; L1694-V1696 VanDerWaalsContact C-N 3.31Å; L1694-V1696 PolarHBondContact O-N 2.81Å; V1696-I1698 VanDerWaalsContact C-N 3.34Å; V1696-I1698 PolarHBondContact O-N 3.4Å; V1696-L1699 PolarHBondContact O-N 3.28Å; V1696-E1700 PolarHBondContact O-N 2.9Å; V1696-R1738 VanDerWaalsContact CG2-NH1 3.33Å |
| 1697 | L | 91.8 | Very high | 90.5 | Very high | 48 Ų | 48 | 32 Ų | 32 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.6 | 179.5 | 63.8 | 0 | 0 | 0 | 111.6 | E1645 F1648 A1693 L1694 L1699 E1700 A1701 | E1645-L1697 HydrophobicContact CG-CD2 3.96Å; F1648-L1697 HydrophobicContact CB-CD2 4.05Å; F1648-L1697 HydrophobicContact CB-CG 3.94Å; A1693-L1697 PolarHBondContact O-N 3.27Å; L1694-L1697 WeakPolarHBondContact O-CB 3.42Å; L1694-L1697 PolarHBondContact O-N 2.93Å; L1694-L1697 VanDerWaalsContact O-N 3.16Å; L1697-L1699 PolarHBondContact O-N 3.37Å; L1697-E1700 PolarHBondContact O-N 3Å; L1697-A1701 HydrophobicContact CD1-CB 4.39Å; L1697-A1701 VanDerWaalsContact O-CB 3.29Å; L1697-A1701 WeakPolarHBondContact O-CB 3.45Å; L1697-A1701 PolarHBondContact O-N 3.48Å |
| 1698 | I | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.2 | -67.4 | 164.7 | 0 | 0 | 0 | 111 | I1644 F1648 L1662 L1665 L1669 L1694 F1695 V1696 E1700 S1702 I1707 | I1644-I1698 HydrophobicContact CG2-CD1 4.06Å; F1648-I1698 HydrophobicContact CD1-CB 4.47Å; F1648-I1698 HydrophobicContact CD1-CG1 4.15Å; F1648-I1698 HydrophobicContact CD2-CD1 4.49Å; F1648-I1698 HydrophobicContact CD2-CG1 3.74Å; F1648-I1698 HydrophobicContact CE1-CB 4.47Å; F1648-I1698 HydrophobicContact CE1-CG1 4.25Å; F1648-I1698 HydrophobicContact CE1-CG2 4.15Å; F1648-I1698 HydrophobicContact CE2-CD1 4.36Å; F1648-I1698 HydrophobicContact CE2-CG1 3.84Å; F1648-I1698 HydrophobicContact CG-CG1 3.9Å; F1648-I1698 HydrophobicContact CZ-CG1 4.1Å; F1648-I1698 HydrophobicContact CZ-CG2 4.22Å; L1662-I1698 HydrophobicContact CD2-CG2 4.04Å; L1665-I1698 HydrophobicContact CD2-CD1 3.88Å; L1665-I1698 HydrophobicContact CG-CD1 4.32Å; L1669-I1698 HydrophobicContact CD1-CD1 3.45Å; L1669-I1698 VanDerWaalsContact CD1-CD1 3.45Å; L1694-I1698 HydrophobicContact CG-CD1 4.29Å; L1694-I1698 WeakPolarHBondContact O-CG1 3.22Å; L1694-I1698 PolarHBondContact O-N 2.94Å; F1695-I1698 HydrophobicContact CD2-CD1 4.38Å; F1695-I1698 WeakPolarHBondContact O-CB 3.21Å; F1695-I1698 PolarHBondContact O-N 3.37Å; V1696-I1698 VanDerWaalsContact C-N 3.34Å; V1696-I1698 PolarHBondContact O-N 3.4Å; I1698-E1700 PolarHBondContact O-N 2.86Å; I1698-S1702 WeakPolarHBondContact O-CB 3.41Å; I1698-S1702 PolarHBondContact O-N 3.01Å; I1698-S1702 VanDerWaalsContact O-N 3.13Å; I1698-S1702 PolarHBondContact O-OG 2.83Å; I1698-I1707 HydrophobicContact CG2-CD1 4.22Å |
| 1699 | L | 91.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -29.4 | 178.1 | -64.1 | -179.9 | 0 | 0 | 0 | 113.3 | F1695 V1696 L1697 I1707 L1711 I1739 | F1695-L1699 HydrophobicContact CE1-CD1 4.48Å; F1695-L1699 HydrophobicContact CE1-CD2 4.42Å; F1695-L1699 HydrophobicContact CZ-CD2 4.29Å; F1695-L1699 WeakPolarHBondContact O-CG 3.32Å; F1695-L1699 PolarHBondContact O-N 3.22Å; V1696-L1699 PolarHBondContact O-N 3.28Å; L1697-L1699 PolarHBondContact O-N 3.37Å; L1699-I1707 HydrophobicContact CD2-CD1 4.33Å; L1699-I1707 HydrophobicContact CD2-CG1 3.81Å; L1699-L1711 HydrophobicContact CD2-CD1 3.76Å; L1699-I1739 HydrophobicContact CD2-CD1 4.3Å |
| 1700 | E | 89.6 | Confident | 91.9 | Very high | 130 Ų | 130 | 26.1 Ų | 26.1 | 61% | 0.607 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -99.2 | -27.3 | -173.8 | -68.1 | -179.1 | -168.3 | 0 | 0 | 113.9 | V1696 L1697 I1698 R1738 | V1696-E1700 PolarHBondContact O-N 2.9Å; L1697-E1700 PolarHBondContact O-N 3Å; I1698-E1700 PolarHBondContact O-N 2.86Å; E1700-R1738 IonicContact OE1-CZ 2.76Å; E1700-R1738 IonicContact OE1-NE 3.54Å; E1700-R1738 PolarHBondContact OE1-NE 3.43Å; E1700-R1738 IonicContact OE1-NH2 2.66Å; E1700-R1738 PolarHBondContact OE1-NH2 3.13Å |
| 1701 | A | 89.7 | Confident | 92.5 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -96.2 | -16.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1648 P1651 G1654 L1697 | F1648-A1701 HydrophobicContact CB-CB 4.25Å; F1648-A1701 HydrophobicContact CD1-CB 4.15Å; F1648-A1701 WeakPolarHBondContact O-CB 3.49Å; P1651-A1701 HydrophobicContact CB-CB 4.41Å; P1651-A1701 HydrophobicContact CG-CB 4.37Å; G1654-A1701 CarbonylContact C-O 3.57Å; L1697-A1701 HydrophobicContact CD1-CB 4.39Å; L1697-A1701 VanDerWaalsContact O-CB 3.29Å; L1697-A1701 WeakPolarHBondContact O-CB 3.45Å; L1697-A1701 PolarHBondContact O-N 3.48Å |
| 1702 | S | 92.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -68.1 | 167.8 | 176.3 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | F1648 G1654 L1662 I1698 G1704 | F1648-S1702 WeakPolarHBondContact CE1-OG 3.35Å; G1654-S1702 WeakPolarHBondContact O-CA 3.43Å; L1662-S1702 WeakPolarHBondContact CD2-OG 3.3Å; I1698-S1702 WeakPolarHBondContact O-CB 3.41Å; I1698-S1702 PolarHBondContact O-N 3.01Å; I1698-S1702 VanDerWaalsContact O-N 3.13Å; I1698-S1702 PolarHBondContact O-OG 2.83Å; S1702-G1704 PolarHBondContact O-N 3.49Å |
| 1703 | N | 91.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 26.4 Ų | 26.4 | 25% | 0.246 | 14% | 0.136 | C | C | . | . | trans | -66.5 | 122.9 | 160.4 | 176.1 | -67.9 | 0 | 0 | 0 | 109.6 | R1655 T1705 R1706 I1707 | R1655-N1703 HydrophobicContact CG-CB 4.47Å; N1703-T1705 PolarHBondContact O-N 3.17Å; N1703-T1705 WeakPolarHBondContact OD1-CB 3.31Å; N1703-T1705 PolarHBondContact OD1-N 3.03Å; N1703-T1705 VanDerWaalsContact OD1-N 3.13Å; N1703-R1706 HydrophobicContact CB-CB 4.06Å; N1703-R1706 HydrophobicContact CB-CG 3.92Å; N1703-R1706 PolarHBondContact O-N 2.93Å; N1703-R1706 VanDerWaalsContact O-N 3.11Å; N1703-R1706 PolarHBondContact OD1-N 3.36Å; N1703-I1707 WeakPolarHBondContact O-CG2 3.28Å; N1703-I1707 PolarHBondContact O-N 3.22Å | ||
| 1704 | G | 91 | Very high | 93.1 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1702 I1707 L1708 Y1750 | S1702-G1704 PolarHBondContact O-N 3.49Å; G1704-I1707 WeakPolarHBondContact O-CG2 3.4Å; G1704-L1708 VanDerWaalsContact O-CB 3.29Å; G1704-L1708 WeakPolarHBondContact O-CB 3.38Å; G1704-L1708 PolarHBondContact O-N 3.2Å; G1704-L1708 VanDerWaalsContact O-N 3.12Å; G1704-Y1750 VanDerWaalsContact C-CE1 3.41Å; G1704-Y1750 WeakPolarHBondContact O-CE1 3.43Å |
| 1705 | T | 93.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.6 | -54.3 | 172.5 | -45.8 | 0 | 0 | 0 | 0 | 110.7 | N1703 I1707 L1708 S1709 S1751 V1754 I1755 | N1703-T1705 PolarHBondContact O-N 3.17Å; N1703-T1705 WeakPolarHBondContact OD1-CB 3.31Å; N1703-T1705 PolarHBondContact OD1-N 3.03Å; N1703-T1705 VanDerWaalsContact OD1-N 3.13Å; T1705-I1707 PolarHBondContact O-N 2.88Å; T1705-L1708 PolarHBondContact O-N 3.26Å; T1705-S1709 VanDerWaalsContact O-CB 3.3Å; T1705-S1709 WeakPolarHBondContact O-CB 3.39Å; T1705-S1709 PolarHBondContact O-N 3.11Å; T1705-S1709 PolarHBondContact O-OG 3.48Å; T1705-S1751 PolarHBondContact OG1-N 3.26Å; T1705-S1751 PolarHBondContact OG1-OG 3.01Å; T1705-V1754 HydrophobicContact CG2-CB 3.8Å; T1705-V1754 HydrophobicContact CG2-CG1 3.91Å; T1705-V1754 HydrophobicContact CG2-CG2 4.3Å; T1705-I1755 HydrophobicContact CG2-CG1 4.28Å |
| 1706 | R | 94.6 | Very high | 93.2 | Very high | 74 Ų | 74 | 25.8 Ų | 25.8 | 28% | 0.279 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.7 | -43.3 | -173.3 | -63.5 | -177.2 | -172.9 | -178.6 | 2.1 | 112 | R1655 E1656 A1657 L1662 N1703 A1710 | R1655-R1706 PolarHBondContact O-NH1 3.38Å; E1656-R1706 PolarHBondContact O-NH1 2.98Å; E1656-R1706 IonicContact OE1-CZ 3.75Å; E1656-R1706 IonicContact OE1-NH1 2.88Å; E1656-R1706 PolarHBondContact OE1-NH1 2.62Å; E1656-R1706 IonicContact OE1-NH2 2.87Å; E1656-R1706 PolarHBondContact OE1-NH2 3.13Å; A1657-R1706 WeakPolarHBondContact O-CD 3.32Å; A1657-R1706 PolarHBondContact O-NH1 3.32Å; L1662-R1706 HydrophobicContact CD1-CB 3.94Å; N1703-R1706 HydrophobicContact CB-CB 4.06Å; N1703-R1706 HydrophobicContact CB-CG 3.92Å; N1703-R1706 PolarHBondContact O-N 2.93Å; N1703-R1706 VanDerWaalsContact O-N 3.11Å; N1703-R1706 PolarHBondContact OD1-N 3.36Å; R1706-A1710 WeakPolarHBondContact O-CB 3.45Å; R1706-A1710 PolarHBondContact O-N 3.19Å |
| 1707 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.7 | -39 | 179.6 | -169.9 | 58.7 | 0 | 0 | 0 | 113 | L1662 I1698 L1699 N1703 G1704 T1705 A1710 L1711 I1739 | L1662-I1707 HydrophobicContact CB-CD1 4.05Å; L1662-I1707 HydrophobicContact CD1-CB 4.19Å; L1662-I1707 HydrophobicContact CD1-CD1 4.43Å; L1662-I1707 HydrophobicContact CD2-CD1 4.35Å; I1698-I1707 HydrophobicContact CG2-CD1 4.22Å; L1699-I1707 HydrophobicContact CD2-CD1 4.33Å; L1699-I1707 HydrophobicContact CD2-CG1 3.81Å; N1703-I1707 WeakPolarHBondContact O-CG2 3.28Å; N1703-I1707 PolarHBondContact O-N 3.22Å; G1704-I1707 WeakPolarHBondContact O-CG2 3.4Å; T1705-I1707 PolarHBondContact O-N 2.88Å; I1707-A1710 PolarHBondContact O-N 3.13Å; I1707-L1711 HydrophobicContact CG1-CD1 4.4Å; I1707-L1711 WeakPolarHBondContact O-CG 3.18Å; I1707-L1711 PolarHBondContact O-N 3.07Å; I1707-I1739 HydrophobicContact CG2-CD1 4.19Å |
| 1708 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 177.1 | 179.1 | 56.5 | 0 | 0 | 0 | 111 | G1704 T1705 A1710 L1711 I1712 I1736 I1739 Y1750 I1755 L1786 | G1704-L1708 VanDerWaalsContact O-CB 3.29Å; G1704-L1708 WeakPolarHBondContact O-CB 3.38Å; G1704-L1708 PolarHBondContact O-N 3.2Å; G1704-L1708 VanDerWaalsContact O-N 3.12Å; T1705-L1708 PolarHBondContact O-N 3.26Å; L1708-A1710 VanDerWaalsContact C-N 3.34Å; L1708-A1710 PolarHBondContact O-N 3.39Å; L1708-L1711 PolarHBondContact O-N 2.93Å; L1708-I1712 HydrophobicContact CD1-CD1 4.08Å; L1708-I1712 HydrophobicContact CD1-CG1 4.28Å; L1708-I1712 HydrophobicContact CG-CD1 3.92Å; L1708-I1712 VanDerWaalsContact O-CG1 3.32Å; L1708-I1712 WeakPolarHBondContact O-CG1 3.45Å; L1708-I1712 PolarHBondContact O-N 2.85Å; L1708-I1736 HydrophobicContact CD1-CG2 4.32Å; L1708-I1739 HydrophobicContact CB-CD1 4.22Å; L1708-I1739 HydrophobicContact CB-CG2 4.41Å; L1708-I1739 HydrophobicContact CD1-CB 4.47Å; L1708-I1739 HydrophobicContact CD1-CD1 4.21Å; L1708-I1739 HydrophobicContact CD1-CG2 4.08Å; L1708-I1739 HydrophobicContact CD2-CG2 4.09Å; L1708-I1739 HydrophobicContact CG-CG2 4.42Å; L1708-Y1750 HydrophobicContact CD2-CD1 4.26Å; L1708-Y1750 HydrophobicContact CD2-CE1 4.31Å; L1708-I1755 HydrophobicContact CD2-CD1 3.93Å; L1708-I1755 HydrophobicContact CD2-CG1 4.17Å; L1708-I1755 HydrophobicContact CD2-CG2 4.03Å; L1708-L1786 HydrophobicContact CD1-CD2 4.29Å; L1708-L1786 HydrophobicContact CD2-CD1 4.15Å; L1708-L1786 HydrophobicContact CD2-CD2 4.32Å |
| 1709 | S | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 172.8 | -77.7 | 0 | 0 | 0 | 0 | 112.8 | R1659 T1705 I1712 R1713 D1758 | R1659-S1709 VanDerWaalsContact CD-CB 3.42Å; T1705-S1709 VanDerWaalsContact O-CB 3.3Å; T1705-S1709 WeakPolarHBondContact O-CB 3.39Å; T1705-S1709 PolarHBondContact O-N 3.11Å; T1705-S1709 PolarHBondContact O-OG 3.48Å; S1709-I1712 PolarHBondContact O-N 3.27Å; S1709-R1713 WeakPolarHBondContact O-CB 3.49Å; S1709-R1713 PolarHBondContact O-N 3.11Å; S1709-D1758 WeakPolarHBondContact CB-OD2 3.42Å; S1709-D1758 PolarHBondContact OG-OD2 2.94Å |
| 1710 | A | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1659 L1662 R1663 R1706 I1707 L1708 R1713 L1714 | R1659-A1710 HydrophobicContact CG-CB 4.17Å; R1659-A1710 WeakPolarHBondContact O-CB 3.39Å; L1662-A1710 HydrophobicContact CB-CB 4.17Å; R1663-A1710 HydrophobicContact CB-CB 4.1Å; R1706-A1710 WeakPolarHBondContact O-CB 3.45Å; R1706-A1710 PolarHBondContact O-N 3.19Å; I1707-A1710 PolarHBondContact O-N 3.13Å; L1708-A1710 VanDerWaalsContact C-N 3.34Å; L1708-A1710 PolarHBondContact O-N 3.39Å; A1710-R1713 PolarHBondContact O-N 3.11Å; A1710-L1714 PolarHBondContact O-N 3.39Å |
| 1711 | L | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70 | -36.8 | 177.2 | -71.6 | 169.4 | 0 | 0 | 0 | 113.3 | F1695 L1699 I1707 L1708 R1713 L1714 L1715 I1732 I1736 I1739 | F1695-L1711 HydrophobicContact CZ-CD2 4.28Å; L1699-L1711 HydrophobicContact CD2-CD1 3.76Å; I1707-L1711 HydrophobicContact CG1-CD1 4.4Å; I1707-L1711 WeakPolarHBondContact O-CG 3.18Å; I1707-L1711 PolarHBondContact O-N 3.07Å; L1708-L1711 PolarHBondContact O-N 2.93Å; L1711-R1713 VanDerWaalsContact C-N 3.31Å; L1711-L1714 PolarHBondContact O-N 3Å; L1711-L1715 WeakPolarHBondContact O-CB 3.16Å; L1711-L1715 PolarHBondContact O-N 3.37Å; L1711-I1732 HydrophobicContact CD2-CD1 3.84Å; L1711-I1732 HydrophobicContact CD2-CG2 4.44Å; L1711-I1736 HydrophobicContact CB-CD1 4.25Å; L1711-I1736 HydrophobicContact CB-CG1 3.81Å; L1711-I1736 HydrophobicContact CD1-CG1 4.41Å; L1711-I1739 HydrophobicContact CD1-CD1 3.63Å |
| 1712 | I | 95.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 173.1 | -67.9 | 163.6 | 0 | 0 | 0 | 110 | L1708 S1709 L1715 H1716 I1755 D1758 I1783 L1786 | L1708-I1712 HydrophobicContact CD1-CD1 4.08Å; L1708-I1712 HydrophobicContact CD1-CG1 4.28Å; L1708-I1712 HydrophobicContact CG-CD1 3.92Å; L1708-I1712 VanDerWaalsContact O-CG1 3.32Å; L1708-I1712 WeakPolarHBondContact O-CG1 3.45Å; L1708-I1712 PolarHBondContact O-N 2.85Å; S1709-I1712 PolarHBondContact O-N 3.27Å; I1712-L1715 PolarHBondContact O-N 2.92Å; I1712-H1716 WeakPolarHBondContact O-CB 3.26Å; I1712-H1716 PolarHBondContact O-N 2.88Å; I1712-I1755 HydrophobicContact CD1-CG2 4.22Å; I1712-D1758 HydrophobicContact CG2-CB 4.08Å; I1712-I1783 HydrophobicContact CG1-CD1 4.19Å; I1712-I1783 HydrophobicContact CG2-CD1 4.26Å; I1712-L1786 HydrophobicContact CD1-CD2 3.85Å |
| 1713 | R | 93.2 | Very high | 89.5 | Confident | 98 Ų | 98 | 34.5 Ų | 34.5 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 175.8 | -168.6 | 173.2 | 167.7 | 112.9 | -12.6 | 112.4 | E1660 S1709 A1710 L1711 H1716 E1717 | E1660-R1713 IonicContact OE1-NH2 3.99Å; E1660-R1713 IonicContact OE2-NE 2.71Å; S1709-R1713 WeakPolarHBondContact O-CB 3.49Å; S1709-R1713 PolarHBondContact O-N 3.11Å; A1710-R1713 PolarHBondContact O-N 3.11Å; L1711-R1713 VanDerWaalsContact C-N 3.31Å; R1713-H1716 WeakPolarHBondContact O-CB 3.15Å; R1713-H1716 PolarHBondContact O-N 3.35Å; R1713-E1717 WeakPolarHBondContact CG-OE1 3.36Å; R1713-E1717 IonicContact NE-OE1 2.66Å; R1713-E1717 WeakPolarHBondContact O-CG 3.39Å; R1713-E1717 PolarHBondContact O-N 3.04Å |
| 1714 | L | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 169.6 | -74.6 | 173.3 | 0 | 0 | 0 | 112.5 | R1663 Q1667 A1710 L1711 H1716 E1717 C1718 I1732 | R1663-L1714 HydrophobicContact CG-CD1 4.4Å; R1663-L1714 HydrophobicContact CG-CD2 3.86Å; R1663-L1714 HydrophobicContact CG-CG 3.77Å; Q1667-L1714 HydrophobicContact CB-CD1 4.5Å; Q1667-L1714 HydrophobicContact CB-CD2 3.99Å; Q1667-L1714 HydrophobicContact CG-CD2 4.48Å; A1710-L1714 PolarHBondContact O-N 3.39Å; L1711-L1714 PolarHBondContact O-N 3Å; L1714-H1716 VanDerWaalsContact C-N 3.31Å; L1714-H1716 PolarHBondContact O-N 3.35Å; L1714-E1717 PolarHBondContact O-N 3.44Å; L1714-C1718 WeakPolarHBondContact O-CB 3.04Å; L1714-C1718 PolarHBondContact O-N 3.12Å; L1714-C1718 PolarHBondContact O-SG 3.47Å; L1714-I1732 HydrophobicContact CB-CD1 3.94Å; L1714-I1732 HydrophobicContact CB-CG1 4.46Å; L1714-I1732 HydrophobicContact CD1-CD1 3.8Å |
| 1715 | L | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 174.9 | -171.6 | 66.8 | 0 | 0 | 0 | 111.2 | L1711 I1712 C1718 V1719 T1729 I1732 L1733 I1736 F1762 P1779 I1783 | L1711-L1715 WeakPolarHBondContact O-CB 3.16Å; L1711-L1715 PolarHBondContact O-N 3.37Å; I1712-L1715 PolarHBondContact O-N 2.92Å; L1715-C1718 PolarHBondContact O-N 3.45Å; L1715-V1719 VanDerWaalsContact O-CG2 3.23Å; L1715-V1719 WeakPolarHBondContact O-CG2 3.26Å; L1715-V1719 PolarHBondContact O-N 2.99Å; L1715-T1729 HydrophobicContact CD1-CG2 4.42Å; L1715-I1732 HydrophobicContact CB-CG2 3.91Å; L1715-I1732 HydrophobicContact CD1-CG2 4.16Å; L1715-L1733 HydrophobicContact CD1-CD2 3.8Å; L1715-L1733 HydrophobicContact CD1-CG 4.11Å; L1715-L1733 HydrophobicContact CD2-CD2 4.27Å; L1715-I1736 HydrophobicContact CB-CD1 4.17Å; L1715-I1736 HydrophobicContact CD2-CD1 3.84Å; L1715-F1762 HydrophobicContact CD2-CE2 4.16Å; L1715-F1762 HydrophobicContact CD2-CZ 4.44Å; L1715-F1762 HydrophobicContact CG-CE2 3.98Å; L1715-P1779 HydrophobicContact CD1-CB 4.06Å; L1715-P1779 HydrophobicContact CD1-CG 4.36Å; L1715-P1779 HydrophobicContact CD2-CB 4.14Å; L1715-P1779 HydrophobicContact CG-CB 4.23Å; L1715-I1783 HydrophobicContact CD2-CD1 4.25Å; L1715-I1783 HydrophobicContact CD2-CG1 4.3Å |
| 1716 | H | 92.3 | Very high | 87.8 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 172.2 | -178.7 | -101.5 | 0 | 0 | 0 | 111.1 | I1712 R1713 L1714 C1718 V1719 S1720 F1762 A1765 F1766 | I1712-H1716 WeakPolarHBondContact O-CB 3.26Å; I1712-H1716 PolarHBondContact O-N 2.88Å; R1713-H1716 WeakPolarHBondContact O-CB 3.15Å; R1713-H1716 PolarHBondContact O-N 3.35Å; L1714-H1716 VanDerWaalsContact C-N 3.31Å; L1714-H1716 PolarHBondContact O-N 3.35Å; H1716-C1718 PolarHBondContact O-N 3.48Å; H1716-V1719 CarbonylContact O-C 3.56Å; H1716-V1719 PolarHBondContact O-N 3.26Å; H1716-V1719 VanDerWaalsContact O-N 3.08Å; H1716-S1720 PolarHBondContact O-N 3.32Å; H1716-S1720 PolarHBondContact O-OG 2.64Å; H1716-F1762 HydrophobicContact CB-CD2 4.03Å; H1716-A1765 WeakPolarHBondContact NE2-CB 3.45Å; H1716-F1766 AromaticContact CD2-CE2 3.37Å; H1716-F1766 WeakPolarHBondContact CD2-CE2 3.36Å; H1716-F1766 AromaticContact CD2-CZ 3.93Å; H1716-F1766 AromaticContact NE2-CE2 3.95Å |
| 1717 | E | 90.7 | Very high | 87.3 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 176.9 | -74.2 | 163.7 | -147.4 | 0 | 0 | 113.1 | R1663 R1713 L1714 V1719 S1720 N1721 F1724 | R1663-E1717 IonicContact CZ-OE1 3.57Å; R1663-E1717 IonicContact CZ-OE2 3.46Å; R1663-E1717 VanDerWaalsContact NE-CD 3.35Å; R1663-E1717 IonicContact NE-OE1 3.71Å; R1663-E1717 PolarHBondContact NE-OE1 3.31Å; R1663-E1717 IonicContact NE-OE2 3.11Å; R1663-E1717 PolarHBondContact NE-OE2 3.41Å; R1663-E1717 VanDerWaalsContact NE-OE2 3.1Å; R1663-E1717 IonicContact NH2-OE1 3.96Å; R1663-E1717 IonicContact NH2-OE2 2.74Å; R1663-E1717 PolarHBondContact NH2-OE2 3.12Å; R1663-E1717 VanDerWaalsContact NH2-OE2 3.13Å; R1713-E1717 WeakPolarHBondContact CG-OE1 3.36Å; R1713-E1717 IonicContact NE-OE1 2.66Å; R1713-E1717 WeakPolarHBondContact O-CG 3.39Å; R1713-E1717 PolarHBondContact O-N 3.04Å; L1714-E1717 PolarHBondContact O-N 3.44Å; E1717-V1719 VanDerWaalsContact C-N 3.29Å; E1717-V1719 PolarHBondContact O-N 3.24Å; E1717-S1720 WeakPolarHBondContact CA-OG 3.3Å; E1717-S1720 PolarHBondContact O-OG 3.14Å; E1717-N1721 VanDerWaalsContact O-CB 3.32Å; E1717-N1721 WeakPolarHBondContact O-CB 3.41Å; E1717-N1721 PolarHBondContact O-N 3.39Å; E1717-F1724 HydrophobicContact CB-CE2 4.06Å |
| 1718 | C | 87.5 | Confident | 87 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 172.5 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | L1714 L1715 H1716 F1724 T1729 | L1714-C1718 WeakPolarHBondContact O-CB 3.04Å; L1714-C1718 PolarHBondContact O-N 3.12Å; L1714-C1718 PolarHBondContact O-SG 3.47Å; L1715-C1718 PolarHBondContact O-N 3.45Å; H1716-C1718 PolarHBondContact O-N 3.48Å; C1718-F1724 HydrophobicContact CB-CB 4.31Å; C1718-F1724 HydrophobicContact CB-CD2 4.42Å; C1718-F1724 HydrophobicContact CB-CG 4.5Å; C1718-T1729 HydrophobicContact CB-CG2 4.44Å |
| 1719 | V | 87.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -88.6 | -27.5 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | L1715 H1716 E1717 F1762 F1766 W1771 R1774 P1779 | L1715-V1719 VanDerWaalsContact O-CG2 3.23Å; L1715-V1719 WeakPolarHBondContact O-CG2 3.26Å; L1715-V1719 PolarHBondContact O-N 2.99Å; H1716-V1719 CarbonylContact O-C 3.56Å; H1716-V1719 PolarHBondContact O-N 3.26Å; H1716-V1719 VanDerWaalsContact O-N 3.08Å; E1717-V1719 VanDerWaalsContact C-N 3.29Å; E1717-V1719 PolarHBondContact O-N 3.24Å; V1719-F1762 HydrophobicContact CG2-CE2 4.32Å; V1719-F1762 HydrophobicContact CG2-CZ 4.4Å; V1719-F1766 HydrophobicContact CB-CD2 4.13Å; V1719-F1766 HydrophobicContact CB-CE1 4.46Å; V1719-F1766 HydrophobicContact CB-CE2 3.59Å; V1719-F1766 HydrophobicContact CB-CZ 3.79Å; V1719-F1766 HydrophobicContact CG1-CD1 3.83Å; V1719-F1766 HydrophobicContact CG1-CD2 3.58Å; V1719-F1766 HydrophobicContact CG1-CE1 3.74Å; V1719-F1766 HydrophobicContact CG1-CE2 3.44Å; V1719-F1766 VanDerWaalsContact CG1-CE2 3.44Å; V1719-F1766 HydrophobicContact CG1-CG 3.77Å; V1719-F1766 HydrophobicContact CG1-CZ 3.54Å; V1719-W1771 HydrophobicContact CB-CH2 4.42Å; V1719-W1771 HydrophobicContact CG1-CH2 3.49Å; V1719-W1771 VanDerWaalsContact CG1-CH2 3.49Å; V1719-W1771 HydrophobicContact CG1-CZ2 3.97Å; V1719-W1771 HydrophobicContact CG1-CZ3 4.33Å; V1719-W1771 HydrophobicContact CG2-CH2 3.96Å; V1719-R1774 PolarHBondContact O-NH1 3.47Å; V1719-R1774 PolarHBondContact O-NH2 2.97Å; V1719-P1779 HydrophobicContact CG2-CB 4.04Å; V1719-P1779 HydrophobicContact CG2-CG 4.04Å |
| 1720 | S | 84.3 | Confident | 86.4 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.8 | -51.2 | 173.9 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | H1716 E1717 | H1716-S1720 PolarHBondContact O-N 3.32Å; H1716-S1720 PolarHBondContact O-OG 2.64Å; E1717-S1720 WeakPolarHBondContact CA-OG 3.3Å; E1717-S1720 PolarHBondContact O-OG 3.14Å |
| 1721 | N | 75.7 | Confident | 86.1 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -89.4 | -21.7 | -162 | -61.2 | -3.7 | 0 | 0 | 0 | 113 | E1717 H1723 | E1717-N1721 VanDerWaalsContact O-CB 3.32Å; E1717-N1721 WeakPolarHBondContact O-CB 3.41Å; E1717-N1721 PolarHBondContact O-N 3.39Å; N1721-H1723 PolarHBondContact O-CD2 3.03Å; N1721-H1723 VanDerWaalsContact O-CD2 3.27Å; N1721-H1723 PolarHBondContact O-N 3.46Å |
| 1722 | G | 68.1 | Low | 85.9 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | trans | 67 | -15.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | F1724 | G1722-F1724 VanDerWaalsContact C-N 3.29Å; G1722-F1724 PolarHBondContact O-N 2.91Å | ||
| 1723 | H | 70.3 | Confident | 85.8 | Confident | 176 Ų | 176 | 52.3 Ų | 52.3 | 82% | 0.815 | 27% | 0.274 | S | S | * | . | trans | -71.1 | -17.4 | 179.3 | -63.1 | -60.5 | 0 | 0 | 0 | 114.4 | N1721 | N1721-H1723 PolarHBondContact O-CD2 3.03Å; N1721-H1723 VanDerWaalsContact O-CD2 3.27Å; N1721-H1723 PolarHBondContact O-N 3.46Å | ||
| 1724 | F | 76.4 | Confident | 85.8 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -77.7 | 135 | 178.9 | -68.3 | -87 | 0 | 0 | 0 | 111.2 | Q1667 E1717 C1718 G1722 F1728 | Q1667-F1724 HydrophobicContact CG-CE1 4.26Å; E1717-F1724 HydrophobicContact CB-CE2 4.06Å; C1718-F1724 HydrophobicContact CB-CB 4.31Å; C1718-F1724 HydrophobicContact CB-CD2 4.42Å; C1718-F1724 HydrophobicContact CB-CG 4.5Å; G1722-F1724 VanDerWaalsContact C-N 3.29Å; G1722-F1724 PolarHBondContact O-N 2.91Å; F1724-F1728 HydrophobicContact CB-CD1 4.09Å; F1724-F1728 AromaticContact CD1-CD1 3.47Å; F1724-F1728 HydrophobicContact CD1-CD1 3.47Å; F1724-F1728 VanDerWaalsContact CD1-CD1 3.47Å; F1724-F1728 AromaticContact CD1-CE1 3.44Å; F1724-F1728 HydrophobicContact CD1-CE1 3.44Å; F1724-F1728 VanDerWaalsContact CD1-CE1 3.44Å; F1724-F1728 HydrophobicContact CD1-CG 4.05Å; F1724-F1728 AromaticContact CD1-CZ 3.99Å; F1724-F1728 HydrophobicContact CD1-CZ 3.99Å; F1724-F1728 HydrophobicContact CE1-CD1 4.22Å; F1724-F1728 AromaticContact CE1-CE1 3.71Å; F1724-F1728 HydrophobicContact CE1-CE1 3.71Å; F1724-F1728 AromaticContact CE1-CZ 3.95Å; F1724-F1728 HydrophobicContact CE1-CZ 3.95Å; F1724-F1728 HydrophobicContact CG-CD1 4.1Å; F1724-F1728 HydrophobicContact CG-CE1 4.3Å |
| 1725 | T | 80 | Confident | 85.8 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | trans | -65.8 | 155.5 | -178.6 | 72.3 | 0 | 0 | 0 | 0 | 112 | R1727 F1728 T1729 | T1725-R1727 PolarHBondContact O-N 3.4Å; T1725-F1728 PolarHBondContact O-N 3.01Å; T1725-F1728 VanDerWaalsContact O-N 3.08Å; T1725-F1728 PolarHBondContact OG1-N 3.34Å; T1725-F1728 VanDerWaalsContact OG1-N 3.1Å; T1725-T1729 PolarHBondContact O-N 2.78Å; T1725-T1729 PolarHBondContact O-OG1 3.33Å | ||
| 1726 | N | 82.9 | Confident | 85.9 | Confident | 136 Ų | 136 | 54.7 Ų | 54.7 | 73% | 0.727 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.8 | -33.5 | 172.8 | -78.6 | -40.4 | 0 | 0 | 0 | 111.8 | Q1730 | N1726-Q1730 WeakPolarHBondContact O-CB 3.42Å; N1726-Q1730 WeakPolarHBondContact O-CG 3.43Å; N1726-Q1730 PolarHBondContact O-N 2.96Å |
| 1727 | R | 83.9 | Confident | 86 | Confident | 143 Ų | 143 | 57 Ų | 57 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 173.4 | -71.3 | -173.7 | -178.2 | 156.8 | 3.4 | 111.3 | L1674 E1676 T1725 Q1730 A1731 | L1674-R1727 HydrophobicContact CD1-CB 4.09Å; L1674-R1727 HydrophobicContact CD2-CB 4.12Å; E1676-R1727 IonicContact OE1-CZ 2.72Å; E1676-R1727 IonicContact OE1-NH1 3.47Å; E1676-R1727 PolarHBondContact OE1-NH1 2.97Å; E1676-R1727 IonicContact OE1-NH2 2.67Å; E1676-R1727 PolarHBondContact OE1-NH2 3.43Å; E1676-R1727 VanDerWaalsContact OE1-NH2 3.09Å; T1725-R1727 PolarHBondContact O-N 3.4Å; R1727-Q1730 PolarHBondContact O-N 2.94Å; R1727-A1731 PolarHBondContact O-N 3.24Å |
| 1728 | F | 89 | Confident | 86 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 178.4 | -173.8 | -83.4 | 0 | 0 | 0 | 111.7 | Q1667 L1670 Q1671 L1674 F1724 T1725 Q1730 A1731 I1732 | Q1667-F1728 HydrophobicContact CB-CZ 4.34Å; Q1667-F1728 HydrophobicContact CG-CE2 4.37Å; Q1667-F1728 HydrophobicContact CG-CZ 4.04Å; L1670-F1728 HydrophobicContact CB-CD2 4.04Å; L1670-F1728 HydrophobicContact CB-CE2 3.64Å; L1670-F1728 HydrophobicContact CB-CZ 4.43Å; Q1671-F1728 HydrophobicContact CB-CE2 4.44Å; L1674-F1728 VanDerWaalsContact CD1-CA 3.46Å; L1674-F1728 HydrophobicContact CD1-CB 3.97Å; L1674-F1728 HydrophobicContact CD1-CD2 4.33Å; F1724-F1728 HydrophobicContact CB-CD1 4.09Å; F1724-F1728 AromaticContact CD1-CD1 3.47Å; F1724-F1728 HydrophobicContact CD1-CD1 3.47Å; F1724-F1728 VanDerWaalsContact CD1-CD1 3.47Å; F1724-F1728 AromaticContact CD1-CE1 3.44Å; F1724-F1728 HydrophobicContact CD1-CE1 3.44Å; F1724-F1728 VanDerWaalsContact CD1-CE1 3.44Å; F1724-F1728 HydrophobicContact CD1-CG 4.05Å; F1724-F1728 AromaticContact CD1-CZ 3.99Å; F1724-F1728 HydrophobicContact CD1-CZ 3.99Å; F1724-F1728 HydrophobicContact CE1-CD1 4.22Å; F1724-F1728 AromaticContact CE1-CE1 3.71Å; F1724-F1728 HydrophobicContact CE1-CE1 3.71Å; F1724-F1728 AromaticContact CE1-CZ 3.95Å; F1724-F1728 HydrophobicContact CE1-CZ 3.95Å; F1724-F1728 HydrophobicContact CG-CD1 4.1Å; F1724-F1728 HydrophobicContact CG-CE1 4.3Å; T1725-F1728 PolarHBondContact O-N 3.01Å; T1725-F1728 VanDerWaalsContact O-N 3.08Å; T1725-F1728 PolarHBondContact OG1-N 3.34Å; T1725-F1728 VanDerWaalsContact OG1-N 3.1Å; F1728-Q1730 VanDerWaalsContact C-N 3.27Å; F1728-Q1730 PolarHBondContact O-N 2.89Å; F1728-A1731 WeakPolarHBondContact O-CB 3.47Å; F1728-A1731 PolarHBondContact O-N 3.36Å; F1728-I1732 HydrophobicContact CD1-CG1 4.05Å; F1728-I1732 HydrophobicContact CE1-CD1 4.01Å; F1728-I1732 HydrophobicContact CE1-CG1 3.71Å; F1728-I1732 HydrophobicContact CZ-CD1 4.22Å; F1728-I1732 HydrophobicContact CZ-CG1 4.38Å; F1728-I1732 PolarHBondContact O-N 3.5Å; F1728-I1732 VanDerWaalsContact O-N 3.08Å |
| 1729 | T | 88.6 | Confident | 86.2 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 13% | 0.129 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 176 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | L1715 C1718 T1725 A1731 I1732 L1733 | L1715-T1729 HydrophobicContact CD1-CG2 4.42Å; C1718-T1729 HydrophobicContact CB-CG2 4.44Å; T1725-T1729 PolarHBondContact O-N 2.78Å; T1725-T1729 PolarHBondContact O-OG1 3.33Å; T1729-A1731 VanDerWaalsContact C-N 3.35Å; T1729-A1731 PolarHBondContact O-N 3.11Å; T1729-I1732 PolarHBondContact O-N 2.62Å; T1729-L1733 HydrophobicContact CG2-CD1 4.08Å; T1729-L1733 WeakPolarHBondContact O-CG 3.5Å; T1729-L1733 PolarHBondContact O-N 3.44Å |
| 1730 | Q | 88.7 | Confident | 86.4 | Confident | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -30.7 | 175.7 | -72.7 | -71.1 | -19.7 | 0 | 0 | 113.5 | N1726 R1727 F1728 K1734 | N1726-Q1730 WeakPolarHBondContact O-CB 3.42Å; N1726-Q1730 WeakPolarHBondContact O-CG 3.43Å; N1726-Q1730 PolarHBondContact O-N 2.96Å; R1727-Q1730 PolarHBondContact O-N 2.94Å; F1728-Q1730 VanDerWaalsContact C-N 3.27Å; F1728-Q1730 PolarHBondContact O-N 2.89Å; Q1730-K1734 WeakPolarHBondContact O-CB 3.37Å; Q1730-K1734 VanDerWaalsContact O-CG 3.24Å; Q1730-K1734 WeakPolarHBondContact O-CG 3.39Å; Q1730-K1734 PolarHBondContact O-N 2.93Å; Q1730-K1734 VanDerWaalsContact O-N 3.08Å |
| 1731 | A | 89.7 | Confident | 86.5 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 12% | 0.116 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1670 L1674 R1727 F1728 T1729 L1733 K1734 S1735 | L1670-A1731 HydrophobicContact CD1-CB 4.29Å; L1670-A1731 HydrophobicContact CD2-CB 4.05Å; L1674-A1731 HydrophobicContact CD1-CB 4.46Å; R1727-A1731 PolarHBondContact O-N 3.24Å; F1728-A1731 WeakPolarHBondContact O-CB 3.47Å; F1728-A1731 PolarHBondContact O-N 3.36Å; T1729-A1731 VanDerWaalsContact C-N 3.35Å; T1729-A1731 PolarHBondContact O-N 3.11Å; A1731-L1733 PolarHBondContact O-N 3.33Å; A1731-K1734 PolarHBondContact O-N 3.01Å; A1731-S1735 WeakPolarHBondContact O-CB 3.35Å; A1731-S1735 PolarHBondContact O-N 2.95Å; A1731-S1735 PolarHBondContact O-OG 3.36Å |
| 1732 | I | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.8 | -60.2 | -64.8 | 0 | 0 | 0 | 110.9 | L1670 L1711 L1714 L1715 F1728 T1729 K1734 S1735 I1736 | L1670-I1732 HydrophobicContact CD1-CD1 3.54Å; L1670-I1732 HydrophobicContact CD1-CG1 4.39Å; L1711-I1732 HydrophobicContact CD2-CD1 3.84Å; L1711-I1732 HydrophobicContact CD2-CG2 4.44Å; L1714-I1732 HydrophobicContact CB-CD1 3.94Å; L1714-I1732 HydrophobicContact CB-CG1 4.46Å; L1714-I1732 HydrophobicContact CD1-CD1 3.8Å; L1715-I1732 HydrophobicContact CB-CG2 3.91Å; L1715-I1732 HydrophobicContact CD1-CG2 4.16Å; F1728-I1732 HydrophobicContact CD1-CG1 4.05Å; F1728-I1732 HydrophobicContact CE1-CD1 4.01Å; F1728-I1732 HydrophobicContact CE1-CG1 3.71Å; F1728-I1732 HydrophobicContact CZ-CD1 4.22Å; F1728-I1732 HydrophobicContact CZ-CG1 4.38Å; F1728-I1732 PolarHBondContact O-N 3.5Å; F1728-I1732 VanDerWaalsContact O-N 3.08Å; T1729-I1732 PolarHBondContact O-N 2.62Å; I1732-K1734 PolarHBondContact O-N 3.45Å; I1732-S1735 WeakPolarHBondContact O-CB 2.99Å; I1732-S1735 PolarHBondContact O-N 3.4Å; I1732-S1735 VanDerWaalsContact O-N 3.17Å; I1732-I1736 HydrophobicContact CG2-CD1 3.96Å; I1732-I1736 WeakPolarHBondContact O-CG1 3.45Å; I1732-I1736 PolarHBondContact O-N 3.02Å |
| 1733 | L | 93.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 177.3 | -71.1 | 167 | 0 | 0 | 0 | 112.4 | L1715 T1729 A1731 S1735 I1736 W1737 V1778 P1779 T1782 | L1715-L1733 HydrophobicContact CD1-CD2 3.8Å; L1715-L1733 HydrophobicContact CD1-CG 4.11Å; L1715-L1733 HydrophobicContact CD2-CD2 4.27Å; T1729-L1733 HydrophobicContact CG2-CD1 4.08Å; T1729-L1733 WeakPolarHBondContact O-CG 3.5Å; T1729-L1733 PolarHBondContact O-N 3.44Å; A1731-L1733 PolarHBondContact O-N 3.33Å; L1733-S1735 VanDerWaalsContact C-N 3.27Å; L1733-S1735 PolarHBondContact O-N 3.03Å; L1733-I1736 PolarHBondContact O-N 3.01Å; L1733-W1737 HydrophobicContact CB-CH2 4.24Å; L1733-W1737 HydrophobicContact CB-CZ2 4.05Å; L1733-W1737 PolarHBondContact O-N 2.93Å; L1733-V1778 HydrophobicContact CD1-CB 4.48Å; L1733-V1778 HydrophobicContact CD1-CG1 3.83Å; L1733-V1778 HydrophobicContact CD2-CG1 4.3Å; L1733-P1779 HydrophobicContact CD2-CB 4.42Å; L1733-P1779 HydrophobicContact CD2-CG 4.4Å; L1733-T1782 HydrophobicContact CD2-CG2 4.07Å; L1733-T1782 WeakPolarHBondContact CD2-OG1 3.43Å |
| 1734 | K | 92.7 | Very high | 88.1 | Confident | 135 Ų | 135 | 57 Ų | 57 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.5 | -36.9 | 176 | -73.9 | 170.3 | -178.7 | -179 | 0 | 112.6 | Q1730 A1731 I1732 W1737 R1738 | Q1730-K1734 WeakPolarHBondContact O-CB 3.37Å; Q1730-K1734 VanDerWaalsContact O-CG 3.24Å; Q1730-K1734 WeakPolarHBondContact O-CG 3.39Å; Q1730-K1734 PolarHBondContact O-N 2.93Å; Q1730-K1734 VanDerWaalsContact O-N 3.08Å; A1731-K1734 PolarHBondContact O-N 3.01Å; I1732-K1734 PolarHBondContact O-N 3.45Å; K1734-W1737 HydrophobicContact CG-CE3 4.24Å; K1734-W1737 HydrophobicContact CG-CZ3 4.23Å; K1734-W1737 PolarHBondContact O-N 3.02Å; K1734-R1738 PolarHBondContact O-N 3.11Å |
| 1735 | S | 93 | Very high | 88.3 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.4 | -43.2 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | F1695 A1731 I1732 L1733 R1738 I1739 | F1695-S1735 WeakPolarHBondContact CE1-OG 3.32Å; A1731-S1735 WeakPolarHBondContact O-CB 3.35Å; A1731-S1735 PolarHBondContact O-N 2.95Å; A1731-S1735 PolarHBondContact O-OG 3.36Å; I1732-S1735 WeakPolarHBondContact O-CB 2.99Å; I1732-S1735 PolarHBondContact O-N 3.4Å; I1732-S1735 VanDerWaalsContact O-N 3.17Å; L1733-S1735 VanDerWaalsContact C-N 3.27Å; L1733-S1735 PolarHBondContact O-N 3.03Å; S1735-R1738 PolarHBondContact O-N 2.89Å; S1735-I1739 PolarHBondContact O-N 2.92Å; S1735-I1739 VanDerWaalsContact O-N 3.11Å |
| 1736 | I | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 171.3 | -64.5 | 167.3 | 0 | 0 | 0 | 109.9 | L1708 L1711 L1715 I1732 L1733 R1738 I1739 T1740 T1782 | L1708-I1736 HydrophobicContact CD1-CG2 4.32Å; L1711-I1736 HydrophobicContact CB-CD1 4.25Å; L1711-I1736 HydrophobicContact CB-CG1 3.81Å; L1711-I1736 HydrophobicContact CD1-CG1 4.41Å; L1715-I1736 HydrophobicContact CB-CD1 4.17Å; L1715-I1736 HydrophobicContact CD2-CD1 3.84Å; I1732-I1736 HydrophobicContact CG2-CD1 3.96Å; I1732-I1736 WeakPolarHBondContact O-CG1 3.45Å; I1732-I1736 PolarHBondContact O-N 3.02Å; L1733-I1736 PolarHBondContact O-N 3.01Å; I1736-R1738 VanDerWaalsContact C-N 3.31Å; I1736-R1738 PolarHBondContact O-N 3Å; I1736-I1739 PolarHBondContact O-N 3.39Å; I1736-I1739 VanDerWaalsContact O-N 3.15Å; I1736-T1740 PolarHBondContact O-N 2.66Å; I1736-T1740 PolarHBondContact O-OG1 3.33Å; I1736-T1782 HydrophobicContact CB-CG2 4.17Å; I1736-T1782 HydrophobicContact CG2-CG2 3.68Å |
| 1737 | W | 94.2 | Very high | 88 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 176.6 | -60.3 | -22.5 | 0 | 0 | 0 | 113.6 | L1733 K1734 K1741 V1778 T1782 | L1733-W1737 HydrophobicContact CB-CH2 4.24Å; L1733-W1737 HydrophobicContact CB-CZ2 4.05Å; L1733-W1737 PolarHBondContact O-N 2.93Å; K1734-W1737 HydrophobicContact CG-CE3 4.24Å; K1734-W1737 HydrophobicContact CG-CZ3 4.23Å; K1734-W1737 PolarHBondContact O-N 3.02Å; W1737-K1741 VanDerWaalsContact O-CB 3.29Å; W1737-K1741 WeakPolarHBondContact O-CB 3.28Å; W1737-K1741 PolarHBondContact O-N 3.4Å; W1737-V1778 HydrophobicContact CH2-CG1 4.08Å; W1737-V1778 HydrophobicContact CZ2-CG1 3.68Å; W1737-T1782 VanDerWaalsContact NE1-CG2 3.32Å; W1737-T1782 PolarHBondContact NE1-OG1 3.28Å |
| 1738 | R | 91.5 | Very high | 87.8 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 173.1 | -172.6 | -179.4 | -177.7 | 126.3 | 1.5 | 110.7 | V1696 E1700 K1734 S1735 I1736 K1741 G1742 | V1696-R1738 VanDerWaalsContact CG2-NH1 3.33Å; E1700-R1738 IonicContact OE1-CZ 2.76Å; E1700-R1738 IonicContact OE1-NE 3.54Å; E1700-R1738 PolarHBondContact OE1-NE 3.43Å; E1700-R1738 IonicContact OE1-NH2 2.66Å; E1700-R1738 PolarHBondContact OE1-NH2 3.13Å; K1734-R1738 PolarHBondContact O-N 3.11Å; S1735-R1738 PolarHBondContact O-N 2.89Å; I1736-R1738 VanDerWaalsContact C-N 3.31Å; I1736-R1738 PolarHBondContact O-N 3Å; R1738-K1741 PolarHBondContact O-N 3.09Å; R1738-G1742 PolarHBondContact O-N 2.85Å; R1738-G1742 VanDerWaalsContact O-N 3.11Å |
| 1739 | I | 91.4 | Very high | 87.4 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -53.9 | 175.4 | -65.6 | 175.3 | 0 | 0 | 0 | 110.6 | L1699 I1707 L1708 L1711 S1735 I1736 K1741 G1742 M1743 Y1750 | L1699-I1739 HydrophobicContact CD2-CD1 4.3Å; I1707-I1739 HydrophobicContact CG2-CD1 4.19Å; L1708-I1739 HydrophobicContact CB-CD1 4.22Å; L1708-I1739 HydrophobicContact CB-CG2 4.41Å; L1708-I1739 HydrophobicContact CD1-CB 4.47Å; L1708-I1739 HydrophobicContact CD1-CD1 4.21Å; L1708-I1739 HydrophobicContact CD1-CG2 4.08Å; L1708-I1739 HydrophobicContact CD2-CG2 4.09Å; L1708-I1739 HydrophobicContact CG-CG2 4.42Å; L1711-I1739 HydrophobicContact CD1-CD1 3.63Å; S1735-I1739 PolarHBondContact O-N 2.92Å; S1735-I1739 VanDerWaalsContact O-N 3.11Å; I1736-I1739 PolarHBondContact O-N 3.39Å; I1736-I1739 VanDerWaalsContact O-N 3.15Å; I1739-K1741 PolarHBondContact O-N 3.28Å; I1739-G1742 CarbonylContact O-C 3.59Å; I1739-G1742 WeakPolarHBondContact O-CA 3.43Å; I1739-G1742 PolarHBondContact O-N 3.33Å; I1739-M1743 WeakPolarHBondContact O-CB 3.38Å; I1739-M1743 PolarHBondContact O-N 3.22Å; I1739-Y1750 HydrophobicContact CG2-CE1 3.94Å |
| 1740 | T | 90.9 | Very high | 87.5 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -37 | -178.3 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | I1736 L1786 V1789 | I1736-T1740 PolarHBondContact O-N 2.66Å; I1736-T1740 PolarHBondContact O-OG1 3.33Å; T1740-L1786 HydrophobicContact CG2-CD1 4.23Å; T1740-V1789 HydrophobicContact CG2-CB 4.08Å; T1740-V1789 HydrophobicContact CG2-CG1 4.49Å; T1740-V1789 HydrophobicContact CG2-CG2 3.85Å |
| 1741 | K | 86.9 | Confident | 87.4 | Confident | 186 Ų | 186 | 57.1 Ų | 57.1 | 81% | 0.809 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -71.6 | -33.3 | 176.1 | -171.7 | 176.1 | 179.9 | -178.2 | 0 | 113 | W1737 R1738 I1739 | W1737-K1741 VanDerWaalsContact O-CB 3.29Å; W1737-K1741 WeakPolarHBondContact O-CB 3.28Å; W1737-K1741 PolarHBondContact O-N 3.4Å; R1738-K1741 PolarHBondContact O-N 3.09Å; I1739-K1741 PolarHBondContact O-N 3.28Å |
| 1742 | G | 83.6 | Confident | 87.4 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -79 | -24.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1738 I1739 N1744 T1745 | R1738-G1742 PolarHBondContact O-N 2.85Å; R1738-G1742 VanDerWaalsContact O-N 3.11Å; I1739-G1742 CarbonylContact O-C 3.59Å; I1739-G1742 WeakPolarHBondContact O-CA 3.43Å; I1739-G1742 PolarHBondContact O-N 3.33Å; G1742-N1744 VanDerWaalsContact C-N 3.27Å; G1742-N1744 PolarHBondContact O-N 2.85Å; G1742-N1744 VanDerWaalsContact O-N 3.12Å; G1742-T1745 PolarHBondContact O-N 3.5Å; G1742-T1745 PolarHBondContact O-OG1 2.91Å |
| 1743 | M | 85.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.3 | -38 | -169 | -167.5 | 166.3 | 66.8 | 0 | 0 | 113.9 | I1739 T1745 A1746 F1747 Y1750 L1786 V1789 L1790 L1793 | I1739-M1743 WeakPolarHBondContact O-CB 3.38Å; I1739-M1743 PolarHBondContact O-N 3.22Å; M1743-T1745 PolarHBondContact O-N 3.42Å; M1743-T1745 VanDerWaalsContact O-N 3.11Å; M1743-A1746 CarbonylContact O-C 3.6Å; M1743-A1746 PolarHBondContact O-N 2.92Å; M1743-A1746 VanDerWaalsContact O-N 3.08Å; M1743-F1747 HydrophobicContact CG-CD2 4.14Å; M1743-F1747 WeakPolarHBondContact O-CA 3.33Å; M1743-F1747 WeakPolarHBondContact O-CB 3.21Å; M1743-F1747 PolarHBondContact O-N 2.98Å; M1743-Y1750 HydrophobicContact CG-CD2 4.16Å; M1743-Y1750 HydrophobicContact CG-CE2 4.19Å; M1743-L1786 HydrophobicContact CE-CD1 3.84Å; M1743-L1786 HydrophobicContact SD-CD1 4Å; M1743-V1789 HydrophobicContact CE-CB 3.86Å; M1743-V1789 HydrophobicContact CE-CG1 3.48Å; M1743-V1789 VanDerWaalsContact CE-CG1 3.48Å; M1743-L1790 HydrophobicContact CE-CD2 3.62Å; M1743-L1790 HydrophobicContact CE-CG 3.86Å; M1743-L1790 HydrophobicContact SD-CD2 3.67Å; M1743-L1790 HydrophobicContact SD-CG 4.41Å; M1743-L1793 HydrophobicContact CE-CD1 4.16Å; M1743-L1793 HydrophobicContact CG-CD1 4.21Å |
| 1744 | N | 79.6 | Confident | 87 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.8 | -29.8 | 175.9 | -65.6 | 18.5 | 0 | 0 | 0 | 113.7 | G1742 V1789 L1793 | G1742-N1744 VanDerWaalsContact C-N 3.27Å; G1742-N1744 PolarHBondContact O-N 2.85Å; G1742-N1744 VanDerWaalsContact O-N 3.12Å; N1744-V1789 VanDerWaalsContact OD1-CG1 3.28Å; N1744-V1789 WeakPolarHBondContact OD1-CG1 3.46Å; N1744-L1793 HydrophobicContact CB-CD2 4.31Å |
| 1745 | T | 80.4 | Confident | 87 | Confident | 128 Ų | 128 | 55.7 Ų | 55.7 | 79% | 0.785 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -90.8 | -14.1 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | G1742 M1743 | G1742-T1745 PolarHBondContact O-N 3.5Å; G1742-T1745 PolarHBondContact O-OG1 2.91Å; M1743-T1745 PolarHBondContact O-N 3.42Å; M1743-T1745 VanDerWaalsContact O-N 3.11Å |
| 1746 | A | 76 | Confident | 86.9 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -133.5 | 15.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1743 N1748 N1749 Y1750 | M1743-A1746 CarbonylContact O-C 3.6Å; M1743-A1746 PolarHBondContact O-N 2.92Å; M1743-A1746 VanDerWaalsContact O-N 3.08Å; A1746-N1748 VanDerWaalsContact C-N 3.29Å; A1746-N1748 PolarHBondContact O-N 3.26Å; A1746-N1748 VanDerWaalsContact O-N 3.12Å; A1746-N1749 WeakPolarHBondContact O-CB 3.23Å; A1746-N1749 PolarHBondContact O-N 3.37Å; A1746-N1749 PolarHBondContact O-ND2 2.89Å; A1746-Y1750 HydrophobicContact CB-CE2 4.11Å; A1746-Y1750 WeakPolarHBondContact O-CD2 3.47Å |
| 1747 | F | 81.2 | Confident | 86.5 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -53.5 | -39.9 | -164.4 | -174.5 | -122.8 | 0 | 0 | 0 | 114.2 | M1743 N1749 Y1750 V1752 L1790 L1793 Q1794 | M1743-F1747 HydrophobicContact CG-CD2 4.14Å; M1743-F1747 WeakPolarHBondContact O-CA 3.33Å; M1743-F1747 WeakPolarHBondContact O-CB 3.21Å; M1743-F1747 PolarHBondContact O-N 2.98Å; F1747-N1749 PolarHBondContact O-N 3.44Å; F1747-Y1750 WeakPolarHBondContact O-CB 3.32Å; F1747-Y1750 PolarHBondContact O-N 2.65Å; F1747-V1752 HydrophobicContact CE2-CG2 3.95Å; F1747-V1752 HydrophobicContact CZ-CG2 3.56Å; F1747-L1790 HydrophobicContact CE2-CD2 3.83Å; F1747-L1793 HydrophobicContact CB-CD1 4.31Å; F1747-L1793 HydrophobicContact CD1-CB 4.22Å; F1747-L1793 HydrophobicContact CD2-CB 4.24Å; F1747-L1793 HydrophobicContact CD2-CD1 3.58Å; F1747-L1793 HydrophobicContact CE1-CB 4.11Å; F1747-L1793 HydrophobicContact CE2-CB 4.15Å; F1747-L1793 HydrophobicContact CE2-CD1 4.08Å; F1747-L1793 HydrophobicContact CG-CB 4.29Å; F1747-L1793 HydrophobicContact CG-CD1 3.93Å; F1747-L1793 HydrophobicContact CZ-CB 4.09Å; F1747-Q1794 HydrophobicContact CE1-CG 3.91Å; F1747-Q1794 HydrophobicContact CZ-CG 3.65Å |
| 1748 | N | 79.4 | Confident | 86.4 | Confident | 161 Ų | 161 | 53.1 Ų | 53.1 | 86% | 0.861 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -65 | -7.5 | 178.9 | -59.6 | 0.8 | 0 | 0 | 0 | 114.4 | A1746 | A1746-N1748 VanDerWaalsContact C-N 3.29Å; A1746-N1748 PolarHBondContact O-N 3.26Å; A1746-N1748 VanDerWaalsContact O-N 3.12Å |
| 1749 | N | 80.4 | Confident | 86.4 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -89.2 | 3.1 | 172.2 | -59 | -81.2 | 0 | 0 | 0 | 113.3 | R1655 A1746 F1747 | R1655-N1749 PolarHBondContact NH2-OD1 3.22Å; A1746-N1749 WeakPolarHBondContact O-CB 3.23Å; A1746-N1749 PolarHBondContact O-N 3.37Å; A1746-N1749 PolarHBondContact O-ND2 2.89Å; F1747-N1749 PolarHBondContact O-N 3.44Å |
| 1750 | Y | 89.4 | Confident | 86.3 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -118.3 | 127.6 | -175.1 | -64.8 | -88.2 | 0 | 0 | 0 | 111.8 | G1704 L1708 I1739 M1743 A1746 F1747 V1752 I1755 | G1704-Y1750 VanDerWaalsContact C-CE1 3.41Å; G1704-Y1750 WeakPolarHBondContact O-CE1 3.43Å; L1708-Y1750 HydrophobicContact CD2-CD1 4.26Å; L1708-Y1750 HydrophobicContact CD2-CE1 4.31Å; I1739-Y1750 HydrophobicContact CG2-CE1 3.94Å; M1743-Y1750 HydrophobicContact CG-CD2 4.16Å; M1743-Y1750 HydrophobicContact CG-CE2 4.19Å; A1746-Y1750 HydrophobicContact CB-CE2 4.11Å; A1746-Y1750 WeakPolarHBondContact O-CD2 3.47Å; F1747-Y1750 WeakPolarHBondContact O-CB 3.32Å; F1747-Y1750 PolarHBondContact O-N 2.65Å; Y1750-V1752 PolarHBondContact O-N 3.25Å; Y1750-I1755 HydrophobicContact CD1-CD1 3.95Å; Y1750-I1755 HydrophobicContact CG-CD1 4.31Å |
| 1751 | S | 88.4 | Confident | 86.2 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | trans | -83.4 | 98.9 | 176 | -42.6 | 0 | 0 | 0 | 0 | 108.6 | T1705 D1753 V1754 I1755 | T1705-S1751 PolarHBondContact OG1-N 3.26Å; T1705-S1751 PolarHBondContact OG1-OG 3.01Å; S1751-D1753 VanDerWaalsContact C-N 3.3Å; S1751-D1753 WeakPolarHBondContact CA-OD1 3.5Å; S1751-D1753 VanDerWaalsContact CB-OD1 3.28Å; S1751-D1753 WeakPolarHBondContact CB-OD1 3.46Å; S1751-D1753 PolarHBondContact O-N 3.18Å; S1751-V1754 PolarHBondContact O-N 3.4Å; S1751-I1755 WeakPolarHBondContact O-CD1 3.27Å; S1751-I1755 WeakPolarHBondContact O-CG1 3.37Å; S1751-I1755 PolarHBondContact O-N 2.75Å | ||
| 1752 | V | 88.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | -171.3 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | F1747 Y1750 I1755 L1756 I1798 F1801 | F1747-V1752 HydrophobicContact CE2-CG2 3.95Å; F1747-V1752 HydrophobicContact CZ-CG2 3.56Å; Y1750-V1752 PolarHBondContact O-N 3.25Å; V1752-I1755 PolarHBondContact O-N 2.91Å; V1752-L1756 HydrophobicContact CG1-CD1 3.8Å; V1752-L1756 HydrophobicContact CG1-CG 4.08Å; V1752-L1756 VanDerWaalsContact O-CB 3.32Å; V1752-L1756 WeakPolarHBondContact O-CB 3.27Å; V1752-L1756 WeakPolarHBondContact O-CG 3.37Å; V1752-L1756 PolarHBondContact O-N 3.42Å; V1752-I1798 HydrophobicContact CG1-CG1 4.41Å; V1752-F1801 HydrophobicContact CB-CD1 4.48Å; V1752-F1801 HydrophobicContact CB-CG 4.46Å; V1752-F1801 HydrophobicContact CG1-CD2 4.29Å; V1752-F1801 HydrophobicContact CG1-CG 4.37Å |
| 1753 | D | 87.9 | Confident | 86.7 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -49.4 | -56.6 | 170.8 | 56.5 | -48.8 | 0 | 0 | 0 | 112.7 | S1751 I1755 L1756 L1757 F1801 | S1751-D1753 VanDerWaalsContact C-N 3.3Å; S1751-D1753 WeakPolarHBondContact CA-OD1 3.5Å; S1751-D1753 VanDerWaalsContact CB-OD1 3.28Å; S1751-D1753 WeakPolarHBondContact CB-OD1 3.46Å; S1751-D1753 PolarHBondContact O-N 3.18Å; D1753-I1755 VanDerWaalsContact C-N 3.32Å; D1753-I1755 PolarHBondContact O-N 2.84Å; D1753-L1756 PolarHBondContact O-N 3.08Å; D1753-L1757 WeakPolarHBondContact O-CB 3.27Å; D1753-L1757 PolarHBondContact O-N 3.18Å; D1753-F1801 HydrophobicContact CB-CD1 4.27Å |
| 1754 | V | 90 | Very high | 86.8 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 30% | 0.297 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | -178.5 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | T1705 S1751 L1757 D1758 | T1705-V1754 HydrophobicContact CG2-CB 3.8Å; T1705-V1754 HydrophobicContact CG2-CG1 3.91Å; T1705-V1754 HydrophobicContact CG2-CG2 4.3Å; S1751-V1754 PolarHBondContact O-N 3.4Å; V1754-L1757 PolarHBondContact O-N 3.43Å; V1754-D1758 PolarHBondContact O-N 2.83Å |
| 1755 | I | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.3 | -38.8 | -178.8 | -62 | 157.8 | 0 | 0 | 0 | 110.9 | T1705 L1708 I1712 Y1750 S1751 V1752 D1753 L1757 C1759 L1786 L1790 | T1705-I1755 HydrophobicContact CG2-CG1 4.28Å; L1708-I1755 HydrophobicContact CD2-CD1 3.93Å; L1708-I1755 HydrophobicContact CD2-CG1 4.17Å; L1708-I1755 HydrophobicContact CD2-CG2 4.03Å; I1712-I1755 HydrophobicContact CD1-CG2 4.22Å; Y1750-I1755 HydrophobicContact CD1-CD1 3.95Å; Y1750-I1755 HydrophobicContact CG-CD1 4.31Å; S1751-I1755 WeakPolarHBondContact O-CD1 3.27Å; S1751-I1755 WeakPolarHBondContact O-CG1 3.37Å; S1751-I1755 PolarHBondContact O-N 2.75Å; V1752-I1755 PolarHBondContact O-N 2.91Å; D1753-I1755 VanDerWaalsContact C-N 3.32Å; D1753-I1755 PolarHBondContact O-N 2.84Å; I1755-L1757 VanDerWaalsContact C-N 3.34Å; I1755-C1759 WeakPolarHBondContact O-CB 3.4Å; I1755-C1759 PolarHBondContact O-N 3.44Å; I1755-C1759 PolarHBondContact O-SG 3.31Å; I1755-L1786 HydrophobicContact CG2-CD2 4.14Å; I1755-L1790 HydrophobicContact CG2-CD1 3.89Å |
| 1756 | L | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 173.6 | -74 | 176.7 | 0 | 0 | 0 | 111.4 | V1752 D1753 C1759 H1760 L1787 L1790 I1798 F1801 L1802 I1805 L1813 L1817 | V1752-L1756 HydrophobicContact CG1-CD1 3.8Å; V1752-L1756 HydrophobicContact CG1-CG 4.08Å; V1752-L1756 VanDerWaalsContact O-CB 3.32Å; V1752-L1756 WeakPolarHBondContact O-CB 3.27Å; V1752-L1756 WeakPolarHBondContact O-CG 3.37Å; V1752-L1756 PolarHBondContact O-N 3.42Å; D1753-L1756 PolarHBondContact O-N 3.08Å; L1756-C1759 PolarHBondContact O-N 3.37Å; L1756-H1760 WeakPolarHBondContact O-CB 3.42Å; L1756-H1760 PolarHBondContact O-N 3.36Å; L1756-L1787 HydrophobicContact CD2-CD2 3.62Å; L1756-L1790 HydrophobicContact CD2-CD1 4.37Å; L1756-I1798 HydrophobicContact CD1-CG1 3.95Å; L1756-I1798 HydrophobicContact CD2-CD1 4.39Å; L1756-F1801 HydrophobicContact CD1-CB 3.86Å; L1756-L1802 HydrophobicContact CD1-CD2 4.3Å; L1756-I1805 HydrophobicContact CB-CD1 4.42Å; L1756-L1813 HydrophobicContact CB-CD2 4.26Å; L1756-L1813 HydrophobicContact CD2-CD1 4.17Å; L1756-L1813 HydrophobicContact CD2-CD2 4.19Å; L1756-L1813 WeakPolarHBondContact O-CD2 3.4Å; L1756-L1817 HydrophobicContact CD2-CD1 4.17Å |
| 1757 | L | 88.7 | Confident | 87.8 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 175.3 | -178 | 61.5 | 0 | 0 | 0 | 112 | D1753 V1754 I1755 C1759 H1760 H1761 I1805 | D1753-L1757 WeakPolarHBondContact O-CB 3.27Å; D1753-L1757 PolarHBondContact O-N 3.18Å; V1754-L1757 PolarHBondContact O-N 3.43Å; I1755-L1757 VanDerWaalsContact C-N 3.34Å; L1757-C1759 VanDerWaalsContact C-N 3.32Å; L1757-C1759 PolarHBondContact O-N 3.15Å; L1757-H1760 WeakPolarHBondContact O-CB 3.39Å; L1757-H1760 PolarHBondContact O-N 3.5Å; L1757-H1761 PolarHBondContact O-N 3.25Å; L1757-H1761 PolarHBondContact O-ND1 3.12Å; L1757-H1761 VanDerWaalsContact O-ND1 3.11Å; L1757-I1805 HydrophobicContact CD1-CG1 4.47Å |
| 1758 | D | 91 | Very high | 87.8 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -33.6 | 174.6 | -76.1 | -30.9 | 0 | 0 | 0 | 112 | R1659 S1709 I1712 V1754 F1762 | R1659-D1758 VanDerWaalsContact NH1-CG 3.27Å; R1659-D1758 IonicContact NH1-OD1 3.58Å; R1659-D1758 PolarHBondContact NH1-OD1 3.11Å; R1659-D1758 IonicContact NH1-OD2 3.38Å; R1659-D1758 PolarHBondContact NH1-OD2 2.9Å; S1709-D1758 WeakPolarHBondContact CB-OD2 3.42Å; S1709-D1758 PolarHBondContact OG-OD2 2.94Å; I1712-D1758 HydrophobicContact CG2-CB 4.08Å; V1754-D1758 PolarHBondContact O-N 2.83Å; D1758-F1762 PolarHBondContact O-N 2.86Å; D1758-F1762 VanDerWaalsContact O-N 3.15Å |
| 1759 | C | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | 170.9 | -70.3 | 0 | 0 | 0 | 0 | 112.8 | I1755 L1756 L1757 F1762 L1763 I1783 L1787 | I1755-C1759 WeakPolarHBondContact O-CB 3.4Å; I1755-C1759 PolarHBondContact O-N 3.44Å; I1755-C1759 PolarHBondContact O-SG 3.31Å; L1756-C1759 PolarHBondContact O-N 3.37Å; L1757-C1759 VanDerWaalsContact C-N 3.32Å; L1757-C1759 PolarHBondContact O-N 3.15Å; C1759-F1762 PolarHBondContact O-N 2.83Å; C1759-L1763 WeakPolarHBondContact O-CB 3.23Å; C1759-L1763 WeakPolarHBondContact O-CG 3.42Å; C1759-L1763 PolarHBondContact O-N 3.45Å; C1759-I1783 HydrophobicContact CB-CG2 4.18Å; C1759-L1787 HydrophobicContact CB-CD2 3.98Å; C1759-L1787 HydrophobicContact CB-CG 4.5Å |
| 1760 | H | 89.4 | Confident | 87.9 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 173.4 | 165.2 | 85.4 | 0 | 0 | 0 | 110.5 | L1756 L1757 F1762 L1763 K1764 I1805 S1811 L1813 | L1756-H1760 WeakPolarHBondContact O-CB 3.42Å; L1756-H1760 PolarHBondContact O-N 3.36Å; L1757-H1760 WeakPolarHBondContact O-CB 3.39Å; L1757-H1760 PolarHBondContact O-N 3.5Å; H1760-F1762 VanDerWaalsContact C-N 3.3Å; H1760-F1762 PolarHBondContact O-N 2.97Å; H1760-L1763 PolarHBondContact O-N 2.87Å; H1760-L1763 VanDerWaalsContact O-N 3.13Å; H1760-K1764 VanDerWaalsContact NE2-CD 3.34Å; H1760-K1764 WeakPolarHBondContact NE2-CD 3.4Å; H1760-K1764 VanDerWaalsContact O-CB 3.27Å; H1760-K1764 WeakPolarHBondContact O-CB 3.35Å; H1760-K1764 PolarHBondContact O-N 3.37Å; H1760-I1805 HydrophobicContact CB-CD1 4.17Å; H1760-I1805 HydrophobicContact CB-CG2 4.12Å; H1760-S1811 PolarHBondContact ND1-OG 2.92Å; H1760-L1813 HydrophobicContact CB-CD2 4.02Å |
| 1761 | H | 89 | Confident | 87.6 | Confident | 90 Ų | 90 | 35 Ų | 35 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.8 | -44.4 | 176.2 | -67 | 134.9 | 0 | 0 | 0 | 111.8 | L1757 K1764 A1765 | L1757-H1761 PolarHBondContact O-N 3.25Å; L1757-H1761 PolarHBondContact O-ND1 3.12Å; L1757-H1761 VanDerWaalsContact O-ND1 3.11Å; H1761-K1764 PolarHBondContact O-N 3.23Å; H1761-A1765 WeakPolarHBondContact O-CB 3.15Å; H1761-A1765 PolarHBondContact O-N 2.97Å |
| 1762 | F | 91.7 | Very high | 87 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 175 | -174.5 | -81.9 | 0 | 0 | 0 | 113 | L1715 H1716 V1719 D1758 C1759 H1760 F1766 W1771 P1779 I1783 | L1715-F1762 HydrophobicContact CD2-CE2 4.16Å; L1715-F1762 HydrophobicContact CD2-CZ 4.44Å; L1715-F1762 HydrophobicContact CG-CE2 3.98Å; H1716-F1762 HydrophobicContact CB-CD2 4.03Å; V1719-F1762 HydrophobicContact CG2-CE2 4.32Å; V1719-F1762 HydrophobicContact CG2-CZ 4.4Å; D1758-F1762 PolarHBondContact O-N 2.86Å; D1758-F1762 VanDerWaalsContact O-N 3.15Å; C1759-F1762 PolarHBondContact O-N 2.83Å; H1760-F1762 VanDerWaalsContact C-N 3.3Å; H1760-F1762 PolarHBondContact O-N 2.97Å; F1762-F1766 HydrophobicContact CD1-CD2 4.28Å; F1762-F1766 AromaticContact CD2-CD2 3.95Å; F1762-F1766 HydrophobicContact CD2-CD2 3.95Å; F1762-F1766 HydrophobicContact CD2-CE2 4.17Å; F1762-F1766 HydrophobicContact CE1-CB 4.49Å; F1762-F1766 HydrophobicContact CE1-CD2 4.08Å; F1762-F1766 AromaticContact CE2-CD2 3.72Å; F1762-F1766 HydrophobicContact CE2-CD2 3.72Å; F1762-F1766 AromaticContact CE2-CE2 3.98Å; F1762-F1766 HydrophobicContact CE2-CE2 3.98Å; F1762-F1766 HydrophobicContact CG-CD2 4.22Å; F1762-F1766 AromaticContact CZ-CD2 3.79Å; F1762-F1766 HydrophobicContact CZ-CD2 3.79Å; F1762-F1766 HydrophobicContact CZ-CE2 4.45Å; F1762-F1766 PolarHBondContact O-N 3.35Å; F1762-W1771 AromaticContact CE1-CZ2 3.84Å; F1762-W1771 HydrophobicContact CE1-CZ2 3.84Å; F1762-W1771 HydrophobicContact CZ-CH2 4.04Å; F1762-W1771 AromaticContact CZ-CZ2 3.75Å; F1762-W1771 HydrophobicContact CZ-CZ2 3.75Å; F1762-P1779 HydrophobicContact CZ-CB 3.92Å; F1762-I1783 HydrophobicContact CD1-CB 4.33Å; F1762-I1783 HydrophobicContact CD1-CG1 3.71Å; F1762-I1783 HydrophobicContact CD1-CG2 4.43Å; F1762-I1783 HydrophobicContact CD2-CG1 4.49Å; F1762-I1783 HydrophobicContact CE1-CB 4.5Å; F1762-I1783 HydrophobicContact CE1-CG1 3.85Å; F1762-I1783 HydrophobicContact CG-CG1 4.06Å; F1762-I1783 HydrophobicContact CZ-CG1 4.32Å |
| 1763 | L | 89.2 | Confident | 86.4 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.9 | -30 | -179.9 | -70.7 | 174.6 | 0 | 0 | 0 | 113.1 | C1759 H1760 F1766 P1767 L1780 I1783 L1787 L1813 | C1759-L1763 WeakPolarHBondContact O-CB 3.23Å; C1759-L1763 WeakPolarHBondContact O-CG 3.42Å; C1759-L1763 PolarHBondContact O-N 3.45Å; H1760-L1763 PolarHBondContact O-N 2.87Å; H1760-L1763 VanDerWaalsContact O-N 3.13Å; L1763-F1766 CarbonylContact O-C 3.57Å; L1763-F1766 VanDerWaalsContact O-C 3.29Å; L1763-P1767 VanDerWaalsContact O-CA 3.23Å; L1763-P1767 WeakPolarHBondContact O-CA 3.35Å; L1763-L1780 HydrophobicContact CD2-CD1 3.62Å; L1763-I1783 HydrophobicContact CD2-CG2 4.45Å; L1763-I1783 HydrophobicContact CG-CG2 4.34Å; L1763-L1787 HydrophobicContact CD1-CD1 3.86Å; L1763-L1813 HydrophobicContact CD1-CB 4.22Å; L1763-L1813 HydrophobicContact CD1-CD1 4.34Å |
| 1764 | K | 86.2 | Confident | 86 | Confident | 103 Ų | 103 | 43 Ų | 43 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 175.5 | -173.9 | 159.5 | -177.7 | 157.8 | 0 | 111.6 | H1760 H1761 D1810 | H1760-K1764 VanDerWaalsContact NE2-CD 3.34Å; H1760-K1764 WeakPolarHBondContact NE2-CD 3.4Å; H1760-K1764 VanDerWaalsContact O-CB 3.27Å; H1760-K1764 WeakPolarHBondContact O-CB 3.35Å; H1760-K1764 PolarHBondContact O-N 3.37Å; H1761-K1764 PolarHBondContact O-N 3.23Å; K1764-D1810 IonicContact NZ-OD2 3.2Å; K1764-D1810 PolarHBondContact NZ-OD2 3.23Å |
| 1765 | A | 86.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.6 | -36.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | H1716 H1761 P1767 | H1716-A1765 WeakPolarHBondContact NE2-CB 3.45Å; H1761-A1765 WeakPolarHBondContact O-CB 3.15Å; H1761-A1765 PolarHBondContact O-N 2.97Å; A1765-P1767 WeakPolarHBondContact O-CD 3.45Å |
| 1766 | F | 88.4 | Confident | 84.6 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -127.6 | 67.8 | -176.7 | -47 | -54 | 0 | 0 | 0 | 112.1 | H1716 V1719 F1762 L1763 W1771 | H1716-F1766 AromaticContact CD2-CE2 3.37Å; H1716-F1766 WeakPolarHBondContact CD2-CE2 3.36Å; H1716-F1766 AromaticContact CD2-CZ 3.93Å; H1716-F1766 AromaticContact NE2-CE2 3.95Å; V1719-F1766 HydrophobicContact CB-CD2 4.13Å; V1719-F1766 HydrophobicContact CB-CE1 4.46Å; V1719-F1766 HydrophobicContact CB-CE2 3.59Å; V1719-F1766 HydrophobicContact CB-CZ 3.79Å; V1719-F1766 HydrophobicContact CG1-CD1 3.83Å; V1719-F1766 HydrophobicContact CG1-CD2 3.58Å; V1719-F1766 HydrophobicContact CG1-CE1 3.74Å; V1719-F1766 HydrophobicContact CG1-CE2 3.44Å; V1719-F1766 VanDerWaalsContact CG1-CE2 3.44Å; V1719-F1766 HydrophobicContact CG1-CG 3.77Å; V1719-F1766 HydrophobicContact CG1-CZ 3.54Å; F1762-F1766 HydrophobicContact CD1-CD2 4.28Å; F1762-F1766 AromaticContact CD2-CD2 3.95Å; F1762-F1766 HydrophobicContact CD2-CD2 3.95Å; F1762-F1766 HydrophobicContact CD2-CE2 4.17Å; F1762-F1766 HydrophobicContact CE1-CB 4.49Å; F1762-F1766 HydrophobicContact CE1-CD2 4.08Å; F1762-F1766 AromaticContact CE2-CD2 3.72Å; F1762-F1766 HydrophobicContact CE2-CD2 3.72Å; F1762-F1766 AromaticContact CE2-CE2 3.98Å; F1762-F1766 HydrophobicContact CE2-CE2 3.98Å; F1762-F1766 HydrophobicContact CG-CD2 4.22Å; F1762-F1766 AromaticContact CZ-CD2 3.79Å; F1762-F1766 HydrophobicContact CZ-CD2 3.79Å; F1762-F1766 HydrophobicContact CZ-CE2 4.45Å; F1762-F1766 PolarHBondContact O-N 3.35Å; L1763-F1766 CarbonylContact O-C 3.57Å; L1763-F1766 VanDerWaalsContact O-C 3.29Å; F1766-W1771 HydrophobicContact CB-CZ2 3.54Å; F1766-W1771 HydrophobicContact CD2-CZ2 4.28Å; F1766-W1771 HydrophobicContact CG-CZ2 4.04Å; F1766-W1771 PolarHBondContact O-NE1 3.39Å |
| 1767 | P | 83.5 | Confident | 84.4 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | trans | -60.5 | 151 | -179.9 | 25 | -34.7 | 0 | 0 | 0 | 111 | L1763 A1765 S1769 S1770 | L1763-P1767 VanDerWaalsContact O-CA 3.23Å; L1763-P1767 WeakPolarHBondContact O-CA 3.35Å; A1765-P1767 WeakPolarHBondContact O-CD 3.45Å; P1767-S1769 PolarHBondContact O-N 3.43Å; P1767-S1770 WeakPolarHBondContact O-CB 3.4Å; P1767-S1770 PolarHBondContact O-N 2.78Å; P1767-S1770 PolarHBondContact O-OG 2.96Å | ||
| 1768 | P | 80.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 29% | 0.286 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -52.3 | -31.6 | -171.1 | -30.2 | 36.5 | 0 | 0 | 0 | 115.6 | L1780 | P1768-L1780 HydrophobicContact CB-CD2 4.31Š|
| 1769 | S | 80.8 | Confident | 84.4 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 63% | 0.629 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -61.1 | -39.1 | 174.6 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | P1767 W1771 S1772 | P1767-S1769 PolarHBondContact O-N 3.43Å; S1769-W1771 PolarHBondContact O-N 2.92Å; S1769-S1772 WeakPolarHBondContact O-CB 3.48Å; S1769-S1772 PolarHBondContact O-N 3.28Å; S1769-S1772 PolarHBondContact O-OG 3.06Å |
| 1770 | S | 80.4 | Confident | 84.4 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -65.9 | -18.6 | -176.3 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | P1767 S1772 | P1767-S1770 WeakPolarHBondContact O-CB 3.4Å; P1767-S1770 PolarHBondContact O-N 2.78Å; P1767-S1770 PolarHBondContact O-OG 2.96Å; S1770-S1772 VanDerWaalsContact C-N 3.3Å; S1770-S1772 PolarHBondContact O-N 3.13Å |
| 1771 | W | 83.3 | Confident | 84.5 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -75.8 | -17.5 | -178.4 | -67.6 | 86 | 0 | 0 | 0 | 113.6 | V1719 F1762 F1766 S1769 A1773 R1774 S1776 P1779 L1780 | V1719-W1771 HydrophobicContact CB-CH2 4.42Å; V1719-W1771 HydrophobicContact CG1-CH2 3.49Å; V1719-W1771 VanDerWaalsContact CG1-CH2 3.49Å; V1719-W1771 HydrophobicContact CG1-CZ2 3.97Å; V1719-W1771 HydrophobicContact CG1-CZ3 4.33Å; V1719-W1771 HydrophobicContact CG2-CH2 3.96Å; F1762-W1771 AromaticContact CE1-CZ2 3.84Å; F1762-W1771 HydrophobicContact CE1-CZ2 3.84Å; F1762-W1771 HydrophobicContact CZ-CH2 4.04Å; F1762-W1771 AromaticContact CZ-CZ2 3.75Å; F1762-W1771 HydrophobicContact CZ-CZ2 3.75Å; F1766-W1771 HydrophobicContact CB-CZ2 3.54Å; F1766-W1771 HydrophobicContact CD2-CZ2 4.28Å; F1766-W1771 HydrophobicContact CG-CZ2 4.04Å; F1766-W1771 PolarHBondContact O-NE1 3.39Å; S1769-W1771 PolarHBondContact O-N 2.92Å; W1771-A1773 PolarHBondContact O-N 2.78Å; W1771-R1774 HydrophobicContact CE3-CB 4.17Å; W1771-R1774 PolarHBondContact O-N 3.48Å; W1771-S1776 VanDerWaalsContact CE3-O 3.28Å; W1771-S1776 WeakPolarHBondContact CZ3-O 3.38Å; W1771-P1779 HydrophobicContact CH2-CB 3.66Å; W1771-P1779 HydrophobicContact CH2-CG 4Å; W1771-P1779 HydrophobicContact CZ3-CB 4.12Å; W1771-P1779 HydrophobicContact CZ3-CG 4.03Å; W1771-L1780 HydrophobicContact CB-CD2 4.39Å; W1771-L1780 HydrophobicContact CD2-CB 3.87Å; W1771-L1780 HydrophobicContact CD2-CD2 4.46Å; W1771-L1780 HydrophobicContact CE3-CB 4.41Å; W1771-L1780 HydrophobicContact CG-CB 4.18Å; W1771-L1780 HydrophobicContact CG-CD2 3.88Å; W1771-L1780 HydrophobicContact CZ2-CB 4.14Å |
| 1772 | S | 76.6 | Confident | 84.7 | Confident | 110 Ų | 110 | 57 Ų | 57 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -56.7 | -29.2 | 174 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | S1769 S1770 | S1769-S1772 WeakPolarHBondContact O-CB 3.48Å; S1769-S1772 PolarHBondContact O-N 3.28Å; S1769-S1772 PolarHBondContact O-OG 3.06Å; S1770-S1772 VanDerWaalsContact C-N 3.3Å; S1770-S1772 PolarHBondContact O-N 3.13Å |
| 1773 | A | 75.4 | Confident | 84.8 | Confident | 77 Ų | 77 | 57 Ų | 57 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -93.9 | -6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1771 | W1771-A1773 PolarHBondContact O-N 2.78Š|
| 1774 | R | 79 | Confident | 84.9 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -97.4 | 147.2 | -173.1 | -67.7 | -179.3 | 174.3 | -96.6 | 5.9 | 111.3 | V1719 W1771 S1776 | V1719-R1774 PolarHBondContact O-NH1 3.47Å; V1719-R1774 PolarHBondContact O-NH2 2.97Å; W1771-R1774 HydrophobicContact CE3-CB 4.17Å; W1771-R1774 PolarHBondContact O-N 3.48Å; R1774-S1776 PolarHBondContact O-N 3.22Å; R1774-S1776 VanDerWaalsContact O-N 3.08Å |
| 1775 | K | 72.6 | Confident | 85.2 | Confident | 168 Ų | 168 | 57.7 Ų | 57.7 | 73% | 0.73 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -63.1 | -14.5 | -176.6 | -68.7 | -179.1 | 177.6 | 176.9 | 0 | 114.9 | R1448 | R1448-K1775 WeakPolarHBondContact O-CE 3.33Å; R1448-K1775 PolarHBondContact O-NZ 2.91Å |
| 1776 | S | 81 | Confident | 85.5 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | trans | -160.3 | 138.6 | -178.2 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | W1771 R1774 V1778 | W1771-S1776 VanDerWaalsContact CE3-O 3.28Å; W1771-S1776 WeakPolarHBondContact CZ3-O 3.38Å; R1774-S1776 PolarHBondContact O-N 3.22Å; R1774-S1776 VanDerWaalsContact O-N 3.08Å; S1776-V1778 VanDerWaalsContact OG-CG2 3.31Å; S1776-V1778 WeakPolarHBondContact OG-CG2 3.39Å; S1776-V1778 PolarHBondContact OG-N 3.4Å | ||
| 1777 | D | 86.7 | Confident | 85.7 | Confident | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | trans | -95.8 | 1.2 | 175.1 | 77.2 | -26.2 | 0 | 0 | 0 | 113.3 | P1779 L1780 R1781 | D1777-P1779 VanDerWaalsContact C-CD 3.48Å; D1777-L1780 WeakPolarHBondContact O-CB 3.12Å; D1777-L1780 PolarHBondContact O-N 3.45Å; D1777-R1781 VanDerWaalsContact CG-CD 3.45Å; D1777-R1781 PolarHBondContact O-N 2.86Å; D1777-R1781 WeakPolarHBondContact OD1-CD 3.4Å; D1777-R1781 WeakPolarHBondContact OD2-CD 3.41Å | ||
| 1778 | V | 90.5 | Very high | 86 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -36.1 | -173.8 | 178.8 | 0 | 0 | 0 | 0 | 113.7 | L1733 W1737 S1776 R1781 T1782 | L1733-V1778 HydrophobicContact CD1-CB 4.48Å; L1733-V1778 HydrophobicContact CD1-CG1 3.83Å; L1733-V1778 HydrophobicContact CD2-CG1 4.3Å; W1737-V1778 HydrophobicContact CH2-CG1 4.08Å; W1737-V1778 HydrophobicContact CZ2-CG1 3.68Å; S1776-V1778 VanDerWaalsContact OG-CG2 3.31Å; S1776-V1778 WeakPolarHBondContact OG-CG2 3.39Å; S1776-V1778 PolarHBondContact OG-N 3.4Å; V1778-R1781 PolarHBondContact O-N 2.69Å; V1778-T1782 WeakPolarHBondContact O-CB 3.49Å; V1778-T1782 PolarHBondContact O-N 2.88Å; V1778-T1782 PolarHBondContact O-OG1 2.83Å |
| 1779 | P | 90.3 | Very high | 86.4 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 171.5 | -23.6 | 35.1 | 0 | 0 | 0 | 113.4 | L1715 V1719 L1733 F1762 W1771 D1777 R1781 T1782 I1783 | L1715-P1779 HydrophobicContact CD1-CB 4.06Å; L1715-P1779 HydrophobicContact CD1-CG 4.36Å; L1715-P1779 HydrophobicContact CD2-CB 4.14Å; L1715-P1779 HydrophobicContact CG-CB 4.23Å; V1719-P1779 HydrophobicContact CG2-CB 4.04Å; V1719-P1779 HydrophobicContact CG2-CG 4.04Å; L1733-P1779 HydrophobicContact CD2-CB 4.42Å; L1733-P1779 HydrophobicContact CD2-CG 4.4Å; F1762-P1779 HydrophobicContact CZ-CB 3.92Å; W1771-P1779 HydrophobicContact CH2-CB 3.66Å; W1771-P1779 HydrophobicContact CH2-CG 4Å; W1771-P1779 HydrophobicContact CZ3-CB 4.12Å; W1771-P1779 HydrophobicContact CZ3-CG 4.03Å; D1777-P1779 VanDerWaalsContact C-CD 3.48Å; P1779-R1781 VanDerWaalsContact C-N 3.33Å; P1779-R1781 PolarHBondContact O-N 2.94Å; P1779-T1782 WeakPolarHBondContact O-CB 3.15Å; P1779-T1782 PolarHBondContact O-N 2.92Å; P1779-T1782 VanDerWaalsContact O-N 3.14Å; P1779-I1783 PolarHBondContact O-N 3.19Å |
| 1780 | L | 90.8 | Very high | 86.8 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 174.5 | -179.9 | 69.6 | 0 | 0 | 0 | 111.2 | L1763 P1768 W1771 D1777 T1782 I1783 K1784 | L1763-L1780 HydrophobicContact CD2-CD1 3.62Å; P1768-L1780 HydrophobicContact CB-CD2 4.31Å; W1771-L1780 HydrophobicContact CB-CD2 4.39Å; W1771-L1780 HydrophobicContact CD2-CB 3.87Å; W1771-L1780 HydrophobicContact CD2-CD2 4.46Å; W1771-L1780 HydrophobicContact CE3-CB 4.41Å; W1771-L1780 HydrophobicContact CG-CB 4.18Å; W1771-L1780 HydrophobicContact CG-CD2 3.88Å; W1771-L1780 HydrophobicContact CZ2-CB 4.14Å; D1777-L1780 WeakPolarHBondContact O-CB 3.12Å; D1777-L1780 PolarHBondContact O-N 3.45Å; L1780-T1782 VanDerWaalsContact C-N 3.27Å; L1780-T1782 PolarHBondContact O-N 3.45Å; L1780-I1783 PolarHBondContact O-N 3.42Å; L1780-K1784 HydrophobicContact CD1-CD 4.48Å; L1780-K1784 HydrophobicContact CG-CD 4.13Å; L1780-K1784 WeakPolarHBondContact O-CB 3.48Å; L1780-K1784 WeakPolarHBondContact O-CG 3.37Å; L1780-K1784 PolarHBondContact O-N 2.98Å |
| 1781 | R | 91.4 | Very high | 87.2 | Confident | 152 Ų | 152 | 50.5 Ų | 50.5 | 57% | 0.574 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62 | -36.6 | 176.1 | -70.5 | 178.6 | 65.1 | 164.7 | 3.9 | 111.7 | D1777 V1778 P1779 K1784 T1785 | D1777-R1781 VanDerWaalsContact CG-CD 3.45Å; D1777-R1781 PolarHBondContact O-N 2.86Å; D1777-R1781 WeakPolarHBondContact OD1-CD 3.4Å; D1777-R1781 WeakPolarHBondContact OD2-CD 3.41Å; V1778-R1781 PolarHBondContact O-N 2.69Å; P1779-R1781 VanDerWaalsContact C-N 3.33Å; P1779-R1781 PolarHBondContact O-N 2.94Å; R1781-K1784 PolarHBondContact O-N 2.98Å; R1781-T1785 WeakPolarHBondContact O-CB 3.46Å; R1781-T1785 PolarHBondContact O-N 2.96Å; R1781-T1785 PolarHBondContact O-OG1 3.28Å |
| 1782 | T | 94.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -46.6 | 178.6 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | L1733 I1736 W1737 V1778 P1779 L1780 T1785 L1786 | L1733-T1782 HydrophobicContact CD2-CG2 4.07Å; L1733-T1782 WeakPolarHBondContact CD2-OG1 3.43Å; I1736-T1782 HydrophobicContact CB-CG2 4.17Å; I1736-T1782 HydrophobicContact CG2-CG2 3.68Å; W1737-T1782 VanDerWaalsContact NE1-CG2 3.32Å; W1737-T1782 PolarHBondContact NE1-OG1 3.28Å; V1778-T1782 WeakPolarHBondContact O-CB 3.49Å; V1778-T1782 PolarHBondContact O-N 2.88Å; V1778-T1782 PolarHBondContact O-OG1 2.83Å; P1779-T1782 WeakPolarHBondContact O-CB 3.15Å; P1779-T1782 PolarHBondContact O-N 2.92Å; P1779-T1782 VanDerWaalsContact O-N 3.14Å; L1780-T1782 VanDerWaalsContact C-N 3.27Å; L1780-T1782 PolarHBondContact O-N 3.45Å; T1782-T1785 PolarHBondContact O-N 3.31Å; T1782-L1786 PolarHBondContact O-N 2.58Å |
| 1783 | I | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.4 | -63.4 | -60.8 | 0 | 0 | 0 | 110.5 | I1712 L1715 C1759 F1762 L1763 P1779 L1780 T1785 L1786 L1787 | I1712-I1783 HydrophobicContact CG1-CD1 4.19Å; I1712-I1783 HydrophobicContact CG2-CD1 4.26Å; L1715-I1783 HydrophobicContact CD2-CD1 4.25Å; L1715-I1783 HydrophobicContact CD2-CG1 4.3Å; C1759-I1783 HydrophobicContact CB-CG2 4.18Å; F1762-I1783 HydrophobicContact CD1-CB 4.33Å; F1762-I1783 HydrophobicContact CD1-CG1 3.71Å; F1762-I1783 HydrophobicContact CD1-CG2 4.43Å; F1762-I1783 HydrophobicContact CD2-CG1 4.49Å; F1762-I1783 HydrophobicContact CE1-CB 4.5Å; F1762-I1783 HydrophobicContact CE1-CG1 3.85Å; F1762-I1783 HydrophobicContact CG-CG1 4.06Å; F1762-I1783 HydrophobicContact CZ-CG1 4.32Å; L1763-I1783 HydrophobicContact CD2-CG2 4.45Å; L1763-I1783 HydrophobicContact CG-CG2 4.34Å; P1779-I1783 PolarHBondContact O-N 3.19Å; L1780-I1783 PolarHBondContact O-N 3.42Å; I1783-T1785 VanDerWaalsContact C-N 3.34Å; I1783-T1785 PolarHBondContact O-N 3.02Å; I1783-L1786 PolarHBondContact O-N 3.19Å; I1783-L1787 HydrophobicContact CG2-CD1 3.95Å; I1783-L1787 HydrophobicContact CG2-CG 4.34Å; I1783-L1787 WeakPolarHBondContact O-CB 3.46Å; I1783-L1787 VanDerWaalsContact O-CG 3.25Å; I1783-L1787 WeakPolarHBondContact O-CG 3.47Å; I1783-L1787 PolarHBondContact O-N 2.98Å |
| 1784 | K | 91.1 | Very high | 88.1 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 173.6 | -77.1 | 178.1 | 177.3 | 176.6 | 0 | 113.1 | L1780 R1781 L1787 H1788 Y1816 | L1780-K1784 HydrophobicContact CD1-CD 4.48Å; L1780-K1784 HydrophobicContact CG-CD 4.13Å; L1780-K1784 WeakPolarHBondContact O-CB 3.48Å; L1780-K1784 WeakPolarHBondContact O-CG 3.37Å; L1780-K1784 PolarHBondContact O-N 2.98Å; R1781-K1784 PolarHBondContact O-N 2.98Å; K1784-L1787 PolarHBondContact O-N 2.85Å; K1784-H1788 WeakPolarHBondContact O-CB 3.22Å; K1784-H1788 PolarHBondContact O-N 3.05Å; K1784-Y1816 HydrophobicContact CB-CE1 4.27Å; K1784-Y1816 HydrophobicContact CB-CE2 4.4Å; K1784-Y1816 HydrophobicContact CD-CE2 4.06Å; K1784-Y1816 HydrophobicContact CG-CD2 4.5Å; K1784-Y1816 HydrophobicContact CG-CE1 4.24Å; K1784-Y1816 HydrophobicContact CG-CE2 3.99Å; K1784-Y1816 PolarHBondContact O-OH 2.81Å |
| 1785 | T | 92.7 | Very high | 88.5 | Confident | 72 Ų | 72 | 44.6 Ų | 44.6 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 112 | R1781 T1782 I1783 H1788 V1789 | R1781-T1785 WeakPolarHBondContact O-CB 3.46Å; R1781-T1785 PolarHBondContact O-N 2.96Å; R1781-T1785 PolarHBondContact O-OG1 3.28Å; T1782-T1785 PolarHBondContact O-N 3.31Å; I1783-T1785 VanDerWaalsContact C-N 3.34Å; I1783-T1785 PolarHBondContact O-N 3.02Å; T1785-H1788 PolarHBondContact O-N 2.73Å; T1785-V1789 WeakPolarHBondContact O-CG2 3.5Å; T1785-V1789 PolarHBondContact O-N 2.74Å |
| 1786 | L | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 173.4 | 175.5 | 63.9 | 0 | 0 | 0 | 111 | L1708 I1712 T1740 M1743 I1755 T1782 I1783 H1788 V1789 L1790 | L1708-L1786 HydrophobicContact CD1-CD2 4.29Å; L1708-L1786 HydrophobicContact CD2-CD1 4.15Å; L1708-L1786 HydrophobicContact CD2-CD2 4.32Å; I1712-L1786 HydrophobicContact CD1-CD2 3.85Å; T1740-L1786 HydrophobicContact CG2-CD1 4.23Å; M1743-L1786 HydrophobicContact CE-CD1 3.84Å; M1743-L1786 HydrophobicContact SD-CD1 4Å; I1755-L1786 HydrophobicContact CG2-CD2 4.14Å; T1782-L1786 PolarHBondContact O-N 2.58Å; I1783-L1786 PolarHBondContact O-N 3.19Å; L1786-H1788 VanDerWaalsContact C-N 3.34Å; L1786-H1788 PolarHBondContact O-N 2.63Å; L1786-V1789 PolarHBondContact O-N 3.13Å; L1786-L1790 HydrophobicContact CD1-CG 4.47Å; L1786-L1790 HydrophobicContact CG-CD1 4.28Å; L1786-L1790 WeakPolarHBondContact O-CG 3.3Å; L1786-L1790 PolarHBondContact O-N 3.38Å |
| 1787 | L | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | 176.6 | -69.1 | 173.5 | 0 | 0 | 0 | 112.7 | L1756 C1759 L1763 I1783 K1784 L1790 C1791 L1813 Y1816 | L1756-L1787 HydrophobicContact CD2-CD2 3.62Å; C1759-L1787 HydrophobicContact CB-CD2 3.98Å; C1759-L1787 HydrophobicContact CB-CG 4.5Å; L1763-L1787 HydrophobicContact CD1-CD1 3.86Å; I1783-L1787 HydrophobicContact CG2-CD1 3.95Å; I1783-L1787 HydrophobicContact CG2-CG 4.34Å; I1783-L1787 WeakPolarHBondContact O-CB 3.46Å; I1783-L1787 VanDerWaalsContact O-CG 3.25Å; I1783-L1787 WeakPolarHBondContact O-CG 3.47Å; I1783-L1787 PolarHBondContact O-N 2.98Å; K1784-L1787 PolarHBondContact O-N 2.85Å; L1787-L1790 HydrophobicContact CD2-CD1 4.4Å; L1787-L1790 PolarHBondContact O-N 2.96Å; L1787-C1791 WeakPolarHBondContact O-CB 3.38Å; L1787-C1791 PolarHBondContact O-N 3.22Å; L1787-L1813 HydrophobicContact CD1-CD1 3.5Å; L1787-L1813 VanDerWaalsContact CD1-CD1 3.5Å; L1787-L1813 HydrophobicContact CD2-CD1 3.43Å; L1787-L1813 VanDerWaalsContact CD2-CD1 3.43Å; L1787-L1813 HydrophobicContact CG-CD1 4.07Å; L1787-Y1816 HydrophobicContact CB-CD1 4.11Å; L1787-Y1816 HydrophobicContact CB-CE1 3.86Å; L1787-Y1816 HydrophobicContact CD1-CD1 4.08Å; L1787-Y1816 HydrophobicContact CD1-CE1 4.41Å |
| 1788 | H | 90.5 | Very high | 89.1 | Confident | 89 Ų | 89 | 36.6 Ų | 36.6 | 41% | 0.412 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.4 | -174.2 | 76.4 | 0 | 0 | 0 | 112 | K1784 T1785 L1786 C1791 G1792 T1820 | K1784-H1788 WeakPolarHBondContact O-CB 3.22Å; K1784-H1788 PolarHBondContact O-N 3.05Å; T1785-H1788 PolarHBondContact O-N 2.73Å; L1786-H1788 VanDerWaalsContact C-N 3.34Å; L1786-H1788 PolarHBondContact O-N 2.63Å; H1788-C1791 PolarHBondContact O-N 3.27Å; H1788-G1792 PolarHBondContact O-N 3.17Å; H1788-T1820 WeakPolarHBondContact ND1-CG2 3.48Å |
| 1789 | V | 89.7 | Confident | 88.7 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.3 | -42.9 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | T1740 M1743 N1744 T1785 L1786 C1791 G1792 L1793 | T1740-V1789 HydrophobicContact CG2-CB 4.08Å; T1740-V1789 HydrophobicContact CG2-CG1 4.49Å; T1740-V1789 HydrophobicContact CG2-CG2 3.85Å; M1743-V1789 HydrophobicContact CE-CB 3.86Å; M1743-V1789 HydrophobicContact CE-CG1 3.48Å; M1743-V1789 VanDerWaalsContact CE-CG1 3.48Å; N1744-V1789 VanDerWaalsContact OD1-CG1 3.28Å; N1744-V1789 WeakPolarHBondContact OD1-CG1 3.46Å; T1785-V1789 WeakPolarHBondContact O-CG2 3.5Å; T1785-V1789 PolarHBondContact O-N 2.74Å; L1786-V1789 PolarHBondContact O-N 3.13Å; V1789-C1791 VanDerWaalsContact C-N 3.3Å; V1789-C1791 PolarHBondContact O-N 3.22Å; V1789-G1792 PolarHBondContact O-N 3.47Å; V1789-G1792 VanDerWaalsContact O-N 3.14Å; V1789-L1793 HydrophobicContact CG1-CD1 3.96Å; V1789-L1793 HydrophobicContact CG1-CG 4.35Å; V1789-L1793 WeakPolarHBondContact O-CG 3.29Å; V1789-L1793 PolarHBondContact O-N 3.34Å |
| 1790 | L | 89.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 172 | -69.8 | 173.6 | 0 | 0 | 0 | 111.4 | M1743 F1747 I1755 L1756 L1786 L1787 G1792 L1793 Q1794 I1798 | M1743-L1790 HydrophobicContact CE-CD2 3.62Å; M1743-L1790 HydrophobicContact CE-CG 3.86Å; M1743-L1790 HydrophobicContact SD-CD2 3.67Å; M1743-L1790 HydrophobicContact SD-CG 4.41Å; F1747-L1790 HydrophobicContact CE2-CD2 3.83Å; I1755-L1790 HydrophobicContact CG2-CD1 3.89Å; L1756-L1790 HydrophobicContact CD2-CD1 4.37Å; L1786-L1790 HydrophobicContact CD1-CG 4.47Å; L1786-L1790 HydrophobicContact CG-CD1 4.28Å; L1786-L1790 WeakPolarHBondContact O-CG 3.3Å; L1786-L1790 PolarHBondContact O-N 3.38Å; L1787-L1790 HydrophobicContact CD2-CD1 4.4Å; L1787-L1790 PolarHBondContact O-N 2.96Å; L1790-G1792 VanDerWaalsContact C-N 3.29Å; L1790-G1792 PolarHBondContact O-N 3.04Å; L1790-L1793 PolarHBondContact O-N 2.97Å; L1790-Q1794 PolarHBondContact O-N 3.13Å; L1790-I1798 HydrophobicContact CB-CD1 3.76Å |
| 1791 | C | 87.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -32.9 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | L1787 H1788 V1789 G1795 I1798 L1817 T1820 L1821 | L1787-C1791 WeakPolarHBondContact O-CB 3.38Å; L1787-C1791 PolarHBondContact O-N 3.22Å; H1788-C1791 PolarHBondContact O-N 3.27Å; V1789-C1791 VanDerWaalsContact C-N 3.3Å; V1789-C1791 PolarHBondContact O-N 3.22Å; C1791-G1795 VanDerWaalsContact O-CA 3.28Å; C1791-G1795 WeakPolarHBondContact O-CA 3.3Å; C1791-G1795 PolarHBondContact O-N 2.77Å; C1791-I1798 HydrophobicContact CB-CD1 4.28Å; C1791-L1817 HydrophobicContact CB-CD2 3.89Å; C1791-T1820 HydrophobicContact CB-CG2 4.06Å; C1791-L1821 WeakPolarHBondContact SG-CD2 3.39Å; C1791-L1821 VanDerWaalsContact SG-CG 3.59Å |
| 1792 | G | 85.3 | Confident | 87.2 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.2 | -27.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1788 V1789 L1790 | H1788-G1792 PolarHBondContact O-N 3.17Å; V1789-G1792 PolarHBondContact O-N 3.47Å; V1789-G1792 VanDerWaalsContact O-N 3.14Å; L1790-G1792 VanDerWaalsContact C-N 3.29Å; L1790-G1792 PolarHBondContact O-N 3.04Å |
| 1793 | L | 86.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 47.6 Ų | 47.6 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -86.7 | -34 | -179.7 | -69.7 | 173.6 | 0 | 0 | 0 | 113.6 | M1743 N1744 F1747 V1789 L1790 | M1743-L1793 HydrophobicContact CE-CD1 4.16Å; M1743-L1793 HydrophobicContact CG-CD1 4.21Å; N1744-L1793 HydrophobicContact CB-CD2 4.31Å; F1747-L1793 HydrophobicContact CB-CD1 4.31Å; F1747-L1793 HydrophobicContact CD1-CB 4.22Å; F1747-L1793 HydrophobicContact CD2-CB 4.24Å; F1747-L1793 HydrophobicContact CD2-CD1 3.58Å; F1747-L1793 HydrophobicContact CE1-CB 4.11Å; F1747-L1793 HydrophobicContact CE2-CB 4.15Å; F1747-L1793 HydrophobicContact CE2-CD1 4.08Å; F1747-L1793 HydrophobicContact CG-CB 4.29Å; F1747-L1793 HydrophobicContact CG-CD1 3.93Å; F1747-L1793 HydrophobicContact CZ-CB 4.09Å; V1789-L1793 HydrophobicContact CG1-CD1 3.96Å; V1789-L1793 HydrophobicContact CG1-CG 4.35Å; V1789-L1793 WeakPolarHBondContact O-CG 3.29Å; V1789-L1793 PolarHBondContact O-N 3.34Å; L1790-L1793 PolarHBondContact O-N 2.97Å |
| 1794 | Q | 83.7 | Confident | 85.3 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -90.4 | -35.6 | 173.2 | -79.5 | -78.2 | -13.5 | 0 | 0 | 112.6 | F1747 L1790 S1797 I1798 | F1747-Q1794 HydrophobicContact CE1-CG 3.91Å; F1747-Q1794 HydrophobicContact CZ-CG 3.65Å; L1790-Q1794 PolarHBondContact O-N 3.13Å; Q1794-S1797 PolarHBondContact O-OG 3.33Å; Q1794-S1797 PolarHBondContact OE1-OG 3.36Å; Q1794-I1798 HydrophobicContact CB-CB 3.91Å |
| 1795 | G | 86.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | 64.8 | -147.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1791 S1797 I1798 L1821 | C1791-G1795 VanDerWaalsContact O-CA 3.28Å; C1791-G1795 WeakPolarHBondContact O-CA 3.3Å; C1791-G1795 PolarHBondContact O-N 2.77Å; G1795-S1797 PolarHBondContact O-N 3.29Å; G1795-S1797 VanDerWaalsContact O-N 3.12Å; G1795-I1798 WeakPolarHBondContact O-CB 3.46Å; G1795-I1798 VanDerWaalsContact O-CG2 3.25Å; G1795-I1798 WeakPolarHBondContact O-CG2 3.25Å; G1795-I1798 PolarHBondContact O-N 3.33Å; G1795-I1798 VanDerWaalsContact O-N 3.08Å; G1795-L1821 VanDerWaalsContact C-CD2 3.46Å |
| 1796 | P | 83.5 | Confident | 83.3 | Confident | 91 Ų | 91 | 48.8 Ų | 48.8 | 59% | 0.591 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -59.2 | -25.5 | -170.9 | -27.2 | 36.1 | 0 | 0 | 0 | 116.2 | I1798 L1799 L1821 | P1796-I1798 PolarHBondContact O-N 3.43Å; P1796-I1798 VanDerWaalsContact O-N 3.16Å; P1796-L1799 PolarHBondContact O-N 3.35Å; P1796-L1821 HydrophobicContact CG-CD2 4.47Å |
| 1797 | S | 81.8 | Confident | 82.1 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -61.1 | -19.7 | 175.7 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | Q1794 G1795 L1799 Q1800 F1801 | Q1794-S1797 PolarHBondContact O-OG 3.33Å; Q1794-S1797 PolarHBondContact OE1-OG 3.36Å; G1795-S1797 PolarHBondContact O-N 3.29Å; G1795-S1797 VanDerWaalsContact O-N 3.12Å; S1797-L1799 PolarHBondContact O-N 3.24Å; S1797-Q1800 WeakPolarHBondContact O-CB 3.34Å; S1797-Q1800 PolarHBondContact O-N 2.8Å; S1797-F1801 WeakPolarHBondContact O-CD2 3.45Å |
| 1798 | I | 86.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -56.7 | -27.1 | 177.3 | -160.3 | 161.9 | 0 | 0 | 0 | 113 | V1752 L1756 L1790 C1791 Q1794 G1795 P1796 Q1800 F1801 L1817 L1821 | V1752-I1798 HydrophobicContact CG1-CG1 4.41Å; L1756-I1798 HydrophobicContact CD1-CG1 3.95Å; L1756-I1798 HydrophobicContact CD2-CD1 4.39Å; L1790-I1798 HydrophobicContact CB-CD1 3.76Å; C1791-I1798 HydrophobicContact CB-CD1 4.28Å; Q1794-I1798 HydrophobicContact CB-CB 3.91Å; G1795-I1798 WeakPolarHBondContact O-CB 3.46Å; G1795-I1798 VanDerWaalsContact O-CG2 3.25Å; G1795-I1798 WeakPolarHBondContact O-CG2 3.25Å; G1795-I1798 PolarHBondContact O-N 3.33Å; G1795-I1798 VanDerWaalsContact O-N 3.08Å; P1796-I1798 PolarHBondContact O-N 3.43Å; P1796-I1798 VanDerWaalsContact O-N 3.16Å; I1798-Q1800 VanDerWaalsContact C-N 3.31Å; I1798-Q1800 PolarHBondContact O-N 2.91Å; I1798-F1801 PolarHBondContact O-N 3.4Å; I1798-L1817 HydrophobicContact CD1-CD1 4.49Å; I1798-L1817 HydrophobicContact CD1-CD2 3.91Å; I1798-L1817 HydrophobicContact CG1-CD1 4.34Å; I1798-L1817 HydrophobicContact CG2-CD1 4.45Å; I1798-L1817 HydrophobicContact CG2-CD2 4.37Å; I1798-L1821 HydrophobicContact CG2-CD1 4.29Å |
| 1799 | L | 82.6 | Confident | 79.5 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -70.7 | -24.5 | 178.7 | -58.2 | 179.7 | 0 | 0 | 0 | 112.9 | P1796 S1797 F1801 L1802 L1817 I1818 L1821 | P1796-L1799 PolarHBondContact O-N 3.35Å; S1797-L1799 PolarHBondContact O-N 3.24Å; L1799-F1801 VanDerWaalsContact C-N 3.34Å; L1799-L1802 HydrophobicContact CB-CD1 4.44Å; L1799-L1802 HydrophobicContact CD2-CD1 3.77Å; L1799-L1802 WeakPolarHBondContact O-CB 3.37Å; L1799-L1802 PolarHBondContact O-N 3.27Å; L1799-L1817 HydrophobicContact CD2-CB 4.05Å; L1799-I1818 HydrophobicContact CD1-CG1 4.17Å; L1799-I1818 HydrophobicContact CD2-CG1 3.93Å; L1799-L1821 HydrophobicContact CD1-CD1 3.78Å; L1799-L1821 HydrophobicContact CD2-CD1 4.1Å; L1799-L1821 HydrophobicContact CG-CD1 3.84Å |
| 1800 | Q | 82.8 | Confident | 78.2 | Confident | 133 Ų | 133 | 66.5 Ų | 66.5 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -67.7 | -35.7 | 178 | -62.9 | 174.5 | -16.7 | 0 | 0 | 111.3 | S1797 I1798 L1802 E1803 | S1797-Q1800 WeakPolarHBondContact O-CB 3.34Å; S1797-Q1800 PolarHBondContact O-N 2.8Å; I1798-Q1800 VanDerWaalsContact C-N 3.31Å; I1798-Q1800 PolarHBondContact O-N 2.91Å; Q1800-L1802 PolarHBondContact O-N 3.04Å; Q1800-E1803 PolarHBondContact O-N 3.28Å |
| 1801 | F | 80.7 | Confident | 76.9 | Confident | 67 Ų | 67 | 67 Ų | 67 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -69.3 | -12.7 | 177.8 | -58.8 | -84.5 | 0 | 0 | 0 | 113.4 | V1752 D1753 L1756 S1797 I1798 L1799 E1803 S1804 | V1752-F1801 HydrophobicContact CB-CD1 4.48Å; V1752-F1801 HydrophobicContact CB-CG 4.46Å; V1752-F1801 HydrophobicContact CG1-CD2 4.29Å; V1752-F1801 HydrophobicContact CG1-CG 4.37Å; D1753-F1801 HydrophobicContact CB-CD1 4.27Å; L1756-F1801 HydrophobicContact CD1-CB 3.86Å; S1797-F1801 WeakPolarHBondContact O-CD2 3.45Å; I1798-F1801 PolarHBondContact O-N 3.4Å; L1799-F1801 VanDerWaalsContact C-N 3.34Å; F1801-E1803 PolarHBondContact O-N 3.29Å; F1801-S1804 WeakPolarHBondContact O-CB 3.37Å; F1801-S1804 PolarHBondContact O-N 3.15Å; F1801-S1804 PolarHBondContact O-OG 3.4Å |
| 1802 | L | 78.7 | Confident | 76.3 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -70.3 | -15.7 | 176.6 | -59.1 | 176.6 | 0 | 0 | 0 | 113.2 | L1756 L1799 Q1800 S1804 I1805 L1813 E1814 L1817 | L1756-L1802 HydrophobicContact CD1-CD2 4.3Å; L1799-L1802 HydrophobicContact CB-CD1 4.44Å; L1799-L1802 HydrophobicContact CD2-CD1 3.77Å; L1799-L1802 WeakPolarHBondContact O-CB 3.37Å; L1799-L1802 PolarHBondContact O-N 3.27Å; Q1800-L1802 PolarHBondContact O-N 3.04Å; L1802-S1804 PolarHBondContact O-N 3.19Å; L1802-I1805 HydrophobicContact CD2-CD1 3.67Å; L1802-I1805 WeakPolarHBondContact O-CB 3.44Å; L1802-I1805 PolarHBondContact O-N 2.96Å; L1802-I1805 VanDerWaalsContact O-N 3.08Å; L1802-L1813 HydrophobicContact CD2-CD2 3.95Å; L1802-L1813 HydrophobicContact CD2-CG 4.17Å; L1802-E1814 HydrophobicContact CD1-CB 3.97Å; L1802-E1814 HydrophobicContact CD1-CG 3.83Å; L1802-L1817 HydrophobicContact CD1-CD1 4.3Å; L1802-L1817 HydrophobicContact CD2-CD1 3.92Å |
| 1803 | E | 76.2 | Confident | 76.2 | Confident | 174 Ų | 174 | 68.9 Ų | 68.9 | 81% | 0.813 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -61.8 | -20.5 | 172.3 | -65 | -179 | 178.9 | 0 | 0 | 112.6 | Q1800 F1801 I1805 | Q1800-E1803 PolarHBondContact O-N 3.28Å; F1801-E1803 PolarHBondContact O-N 3.29Å; E1803-I1805 VanDerWaalsContact C-N 3.26Å; E1803-I1805 PolarHBondContact O-N 2.61Å |
| 1804 | S | 72.5 | Confident | 75.9 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -75.9 | -5.3 | 174.2 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | F1801 L1802 | F1801-S1804 WeakPolarHBondContact O-CB 3.37Å; F1801-S1804 PolarHBondContact O-N 3.15Å; F1801-S1804 PolarHBondContact O-OG 3.4Å; L1802-S1804 PolarHBondContact O-N 3.19Å |
| 1805 | I | 76.8 | Confident | 75.8 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -102.9 | 117 | -170.2 | -57.2 | -177 | 0 | 0 | 0 | 111.1 | L1756 L1757 H1760 L1802 E1803 N1807 L1813 | L1756-I1805 HydrophobicContact CB-CD1 4.42Å; L1757-I1805 HydrophobicContact CD1-CG1 4.47Å; H1760-I1805 HydrophobicContact CB-CD1 4.17Å; H1760-I1805 HydrophobicContact CB-CG2 4.12Å; L1802-I1805 HydrophobicContact CD2-CD1 3.67Å; L1802-I1805 WeakPolarHBondContact O-CB 3.44Å; L1802-I1805 PolarHBondContact O-N 2.96Å; L1802-I1805 VanDerWaalsContact O-N 3.08Å; E1803-I1805 VanDerWaalsContact C-N 3.26Å; E1803-I1805 PolarHBondContact O-N 2.61Å; I1805-N1807 PolarHBondContact O-N 2.74Å; I1805-L1813 HydrophobicContact CD1-CD2 3.57Å |
| 1806 | P | 63.8 | Low | 75.7 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 132.1 | 173.8 | -23.4 | 34.3 | 0 | 0 | 0 | 111.8 | ||
| 1807 | N | 68.6 | Low | 75.8 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 60.6 | -176.2 | -58 | 10.6 | 0 | 0 | 0 | 113.8 | I1805 E1809 D1810 | I1805-N1807 PolarHBondContact O-N 2.74Å; N1807-E1809 PolarHBondContact O-N 3.22Å; N1807-D1810 HydrophobicContact CB-CB 4.33Å; N1807-D1810 WeakPolarHBondContact CB-OD2 3.45Å; N1807-D1810 PolarHBondContact ND2-OD2 3.26Å; N1807-D1810 VanDerWaalsContact ND2-OD2 3.12Å; N1807-D1810 WeakPolarHBondContact O-CB 3.35Å; N1807-D1810 PolarHBondContact O-N 2.83Å |
| 1808 | K | 62.3 | Low | 75.9 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 47% | 0.47 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -48.9 | -30.6 | 174.5 | 67.3 | 178.5 | -178.8 | 178.3 | 0 | 114.5 | D1810 S1811 | K1808-D1810 VanDerWaalsContact C-N 3.32Å; K1808-D1810 PolarHBondContact O-N 3.32Å; K1808-S1811 WeakPolarHBondContact O-CA 3.49Å; K1808-S1811 WeakPolarHBondContact O-CB 3.44Å; K1808-S1811 PolarHBondContact O-N 3.25Å |
| 1809 | E | 64.5 | Low | 75.7 | Confident | 181 Ų | 181 | 74 Ų | 74 | 85% | 0.846 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -72.6 | -21.8 | -178.1 | -58.1 | -172.1 | -147.5 | 0 | 0 | 113.4 | N1807 S1811 | N1807-E1809 PolarHBondContact O-N 3.22Å; E1809-S1811 PolarHBondContact O-N 3.29Å |
| 1810 | D | 62 | Low | 75.7 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -75.5 | -7.2 | 168.3 | -64.5 | -29.5 | 0 | 0 | 0 | 112.3 | K1764 N1807 K1808 E1812 | K1764-D1810 IonicContact NZ-OD2 3.2Å; K1764-D1810 PolarHBondContact NZ-OD2 3.23Å; N1807-D1810 HydrophobicContact CB-CB 4.33Å; N1807-D1810 WeakPolarHBondContact CB-OD2 3.45Å; N1807-D1810 PolarHBondContact ND2-OD2 3.26Å; N1807-D1810 VanDerWaalsContact ND2-OD2 3.12Å; N1807-D1810 WeakPolarHBondContact O-CB 3.35Å; N1807-D1810 PolarHBondContact O-N 2.83Å; K1808-D1810 VanDerWaalsContact C-N 3.32Å; K1808-D1810 PolarHBondContact O-N 3.32Å; D1810-E1812 PolarHBondContact O-N 3.05Å |
| 1811 | S | 63.2 | Low | 75.8 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | trans | -97.1 | 97.4 | -157.4 | -159.7 | 0 | 0 | 0 | 0 | 113.3 | H1760 K1808 E1809 L1813 E1814 | H1760-S1811 PolarHBondContact ND1-OG 2.92Å; K1808-S1811 WeakPolarHBondContact O-CA 3.49Å; K1808-S1811 WeakPolarHBondContact O-CB 3.44Å; K1808-S1811 PolarHBondContact O-N 3.25Å; E1809-S1811 PolarHBondContact O-N 3.29Å; S1811-L1813 PolarHBondContact O-N 3.28Å; S1811-L1813 WeakPolarHBondContact OG-CB 3.29Å; S1811-E1814 PolarHBondContact O-N 3.4Å | ||
| 1812 | E | 73.9 | Confident | 75.7 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -13.5 | 168.3 | -80.6 | -82.4 | -137.8 | 0 | 0 | 114 | D1810 S1815 Y1816 | D1810-E1812 PolarHBondContact O-N 3.05Å; E1812-S1815 WeakPolarHBondContact OE2-CB 3.46Å; E1812-S1815 PolarHBondContact OE2-OG 2.95Å; E1812-Y1816 VanDerWaalsContact O-CB 3.27Å; E1812-Y1816 WeakPolarHBondContact O-CB 3.48Å; E1812-Y1816 PolarHBondContact O-N 3.12Å |
| 1813 | L | 82.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 169.5 | 177.2 | 60.4 | 0 | 0 | 0 | 112.3 | L1756 H1760 L1763 L1787 L1802 I1805 S1811 Y1816 L1817 | L1756-L1813 HydrophobicContact CB-CD2 4.26Å; L1756-L1813 HydrophobicContact CD2-CD1 4.17Å; L1756-L1813 HydrophobicContact CD2-CD2 4.19Å; L1756-L1813 WeakPolarHBondContact O-CD2 3.4Å; H1760-L1813 HydrophobicContact CB-CD2 4.02Å; L1763-L1813 HydrophobicContact CD1-CB 4.22Å; L1763-L1813 HydrophobicContact CD1-CD1 4.34Å; L1787-L1813 HydrophobicContact CD1-CD1 3.5Å; L1787-L1813 VanDerWaalsContact CD1-CD1 3.5Å; L1787-L1813 HydrophobicContact CD2-CD1 3.43Å; L1787-L1813 VanDerWaalsContact CD2-CD1 3.43Å; L1787-L1813 HydrophobicContact CG-CD1 4.07Å; L1802-L1813 HydrophobicContact CD2-CD2 3.95Å; L1802-L1813 HydrophobicContact CD2-CG 4.17Å; I1805-L1813 HydrophobicContact CD1-CD2 3.57Å; S1811-L1813 PolarHBondContact O-N 3.28Å; S1811-L1813 WeakPolarHBondContact OG-CB 3.29Å; L1813-Y1816 PolarHBondContact O-N 3.01Å; L1813-L1817 HydrophobicContact CD1-CD1 3.88Å; L1813-L1817 HydrophobicContact CD1-CG 4.06Å; L1813-L1817 HydrophobicContact CG-CD1 4Å; L1813-L1817 WeakPolarHBondContact O-CB 3.5Å; L1813-L1817 WeakPolarHBondContact O-CG 3.33Å; L1813-L1817 PolarHBondContact O-N 2.95Å |
| 1814 | E | 80.6 | Confident | 74.7 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 179.4 | -175.1 | 174 | 163.6 | 0 | 0 | 110.4 | L1802 S1811 Y1816 L1817 I1818 | L1802-E1814 HydrophobicContact CD1-CB 3.97Å; L1802-E1814 HydrophobicContact CD1-CG 3.83Å; S1811-E1814 PolarHBondContact O-N 3.4Å; E1814-Y1816 PolarHBondContact O-N 3.4Å; E1814-L1817 PolarHBondContact O-N 3.17Å; E1814-I1818 HydrophobicContact CG-CD1 3.7Å; E1814-I1818 HydrophobicContact CG-CG1 4.31Å; E1814-I1818 WeakPolarHBondContact O-CB 3.48Å; E1814-I1818 WeakPolarHBondContact O-CG1 3.46Å; E1814-I1818 PolarHBondContact O-N 3.14Å |
| 1815 | S | 81.7 | Confident | 73.7 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -52.7 | -42 | 171.8 | 129.9 | 0 | 0 | 0 | 0 | 112 | E1812 R1819 | E1812-S1815 WeakPolarHBondContact OE2-CB 3.46Å; E1812-S1815 PolarHBondContact OE2-OG 2.95Å; S1815-R1819 VanDerWaalsContact O-CB 3.27Å; S1815-R1819 WeakPolarHBondContact O-CB 3.26Å; S1815-R1819 PolarHBondContact O-N 3.12Å; S1815-R1819 PolarHBondContact O-NH1 3.23Å; S1815-R1819 PolarHBondContact OG-NH1 2.81Å |
| 1816 | Y | 83.2 | Confident | 71.9 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 19% | 0.192 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74 | -43.7 | 178.9 | -174.4 | -103.9 | 0 | 0 | 0 | 113.1 | K1784 L1787 E1812 L1813 E1814 R1819 T1820 | K1784-Y1816 HydrophobicContact CB-CE1 4.27Å; K1784-Y1816 HydrophobicContact CB-CE2 4.4Å; K1784-Y1816 HydrophobicContact CD-CE2 4.06Å; K1784-Y1816 HydrophobicContact CG-CD2 4.5Å; K1784-Y1816 HydrophobicContact CG-CE1 4.24Å; K1784-Y1816 HydrophobicContact CG-CE2 3.99Å; K1784-Y1816 PolarHBondContact O-OH 2.81Å; L1787-Y1816 HydrophobicContact CB-CD1 4.11Å; L1787-Y1816 HydrophobicContact CB-CE1 3.86Å; L1787-Y1816 HydrophobicContact CD1-CD1 4.08Å; L1787-Y1816 HydrophobicContact CD1-CE1 4.41Å; E1812-Y1816 VanDerWaalsContact O-CB 3.27Å; E1812-Y1816 WeakPolarHBondContact O-CB 3.48Å; E1812-Y1816 PolarHBondContact O-N 3.12Å; L1813-Y1816 PolarHBondContact O-N 3.01Å; E1814-Y1816 PolarHBondContact O-N 3.4Å; Y1816-R1819 PolarHBondContact O-N 3.41Å; Y1816-T1820 WeakPolarHBondContact O-CB 3.49Å; Y1816-T1820 PolarHBondContact O-N 3.03Å; Y1816-T1820 PolarHBondContact O-OG1 3.22Å |
| 1817 | L | 85.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 179.8 | -72.7 | 173 | 0 | 0 | 0 | 111.9 | L1756 C1791 I1798 L1799 L1802 L1813 E1814 R1819 T1820 L1821 | L1756-L1817 HydrophobicContact CD2-CD1 4.17Å; C1791-L1817 HydrophobicContact CB-CD2 3.89Å; I1798-L1817 HydrophobicContact CD1-CD1 4.49Å; I1798-L1817 HydrophobicContact CD1-CD2 3.91Å; I1798-L1817 HydrophobicContact CG1-CD1 4.34Å; I1798-L1817 HydrophobicContact CG2-CD1 4.45Å; I1798-L1817 HydrophobicContact CG2-CD2 4.37Å; L1799-L1817 HydrophobicContact CD2-CB 4.05Å; L1802-L1817 HydrophobicContact CD1-CD1 4.3Å; L1802-L1817 HydrophobicContact CD2-CD1 3.92Å; L1813-L1817 HydrophobicContact CD1-CD1 3.88Å; L1813-L1817 HydrophobicContact CD1-CG 4.06Å; L1813-L1817 HydrophobicContact CG-CD1 4Å; L1813-L1817 WeakPolarHBondContact O-CB 3.5Å; L1813-L1817 WeakPolarHBondContact O-CG 3.33Å; L1813-L1817 PolarHBondContact O-N 2.95Å; E1814-L1817 PolarHBondContact O-N 3.17Å; L1817-R1819 VanDerWaalsContact C-N 3.31Å; L1817-R1819 PolarHBondContact O-N 3.45Å; L1817-T1820 PolarHBondContact O-N 2.96Å; L1817-T1820 VanDerWaalsContact O-N 3.08Å; L1817-L1821 WeakPolarHBondContact O-CG 3.42Å; L1817-L1821 PolarHBondContact O-N 3.23Å |
| 1818 | I | 84 | Confident | 68.6 | Low | 57 Ų | 57 | 77 Ų | 77 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.8 | -66.5 | 173.8 | 0 | 0 | 0 | 111 | L1799 E1814 T1820 K1822 | L1799-I1818 HydrophobicContact CD1-CG1 4.17Å; L1799-I1818 HydrophobicContact CD2-CG1 3.93Å; E1814-I1818 HydrophobicContact CG-CD1 3.7Å; E1814-I1818 HydrophobicContact CG-CG1 4.31Å; E1814-I1818 WeakPolarHBondContact O-CB 3.48Å; E1814-I1818 WeakPolarHBondContact O-CG1 3.46Å; E1814-I1818 PolarHBondContact O-N 3.14Å; I1818-T1820 VanDerWaalsContact C-N 3.34Å; I1818-K1822 HydrophobicContact CG2-CD 4.44Å; I1818-K1822 WeakPolarHBondContact O-CG 3.37Å; I1818-K1822 PolarHBondContact O-N 2.93Å; I1818-K1822 VanDerWaalsContact O-N 3.17Å |
| 1819 | R | 83.8 | Confident | 66.9 | Low | 154 Ų | 154 | 78.1 Ų | 78.1 | 58% | 0.581 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 174.7 | -173.1 | -178.7 | -70 | 113.3 | -6.3 | 111.5 | S1815 Y1816 L1817 K1822 T1823 | S1815-R1819 VanDerWaalsContact O-CB 3.27Å; S1815-R1819 WeakPolarHBondContact O-CB 3.26Å; S1815-R1819 PolarHBondContact O-N 3.12Å; S1815-R1819 PolarHBondContact O-NH1 3.23Å; S1815-R1819 PolarHBondContact OG-NH1 2.81Å; Y1816-R1819 PolarHBondContact O-N 3.41Å; L1817-R1819 VanDerWaalsContact C-N 3.31Å; L1817-R1819 PolarHBondContact O-N 3.45Å; R1819-K1822 PolarHBondContact O-N 2.9Å; R1819-T1823 PolarHBondContact O-N 3.34Å; R1819-T1823 PolarHBondContact O-OG1 2.95Å |
| 1820 | T | 82.5 | Confident | 65.2 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 179.9 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | H1788 C1791 Y1816 L1817 I1818 K1822 T1823 T1824 | H1788-T1820 WeakPolarHBondContact ND1-CG2 3.48Å; C1791-T1820 HydrophobicContact CB-CG2 4.06Å; Y1816-T1820 WeakPolarHBondContact O-CB 3.49Å; Y1816-T1820 PolarHBondContact O-N 3.03Å; Y1816-T1820 PolarHBondContact O-OG1 3.22Å; L1817-T1820 PolarHBondContact O-N 2.96Å; L1817-T1820 VanDerWaalsContact O-N 3.08Å; I1818-T1820 VanDerWaalsContact C-N 3.34Å; T1820-K1822 VanDerWaalsContact C-N 3.31Å; T1820-K1822 PolarHBondContact O-N 2.61Å; T1820-T1823 WeakPolarHBondContact CA-OG1 3.3Å; T1820-T1823 PolarHBondContact O-N 3Å; T1820-T1823 VanDerWaalsContact O-N 3.1Å; T1820-T1823 PolarHBondContact O-OG1 3.27Å; T1820-T1824 PolarHBondContact O-N 2.85Å; T1820-T1824 PolarHBondContact O-OG1 2.77Å |
| 1821 | L | 83.9 | Confident | 63.6 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 11% | 0.105 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -55.5 | -45.8 | 173.7 | -71.4 | 169.4 | 0 | 0 | 0 | 111.3 | C1791 G1795 P1796 I1798 L1799 L1817 T1823 T1824 S1825 | C1791-L1821 WeakPolarHBondContact SG-CD2 3.39Å; C1791-L1821 VanDerWaalsContact SG-CG 3.59Å; G1795-L1821 VanDerWaalsContact C-CD2 3.46Å; P1796-L1821 HydrophobicContact CG-CD2 4.47Å; I1798-L1821 HydrophobicContact CG2-CD1 4.29Å; L1799-L1821 HydrophobicContact CD1-CD1 3.78Å; L1799-L1821 HydrophobicContact CD2-CD1 4.1Å; L1799-L1821 HydrophobicContact CG-CD1 3.84Å; L1817-L1821 WeakPolarHBondContact O-CG 3.42Å; L1817-L1821 PolarHBondContact O-N 3.23Å; L1821-T1823 VanDerWaalsContact C-N 3.31Å; L1821-T1823 PolarHBondContact O-N 3.28Å; L1821-T1824 PolarHBondContact O-N 3.33Å; L1821-T1824 VanDerWaalsContact O-N 3.09Å; L1821-S1825 PolarHBondContact O-N 2.99Å; L1821-S1825 PolarHBondContact O-OG 2.99Å |
| 1822 | K | 78.3 | Confident | 61.9 | Low | 154 Ų | 154 | 82.2 Ų | 82.2 | 67% | 0.67 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.1 | -37.2 | 176.6 | -73.7 | 176.9 | 179.9 | -177.2 | 0 | 113.1 | I1818 R1819 T1820 | I1818-K1822 HydrophobicContact CG2-CD 4.44Å; I1818-K1822 WeakPolarHBondContact O-CG 3.37Å; I1818-K1822 PolarHBondContact O-N 2.93Å; I1818-K1822 VanDerWaalsContact O-N 3.17Å; R1819-K1822 PolarHBondContact O-N 2.9Å; T1820-K1822 VanDerWaalsContact C-N 3.31Å; T1820-K1822 PolarHBondContact O-N 2.61Å |
| 1823 | T | 72.2 | Confident | 59.7 | Low | 109 Ų | 109 | 84.3 Ų | 84.3 | 67% | 0.669 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -74.4 | -25.8 | 174.4 | 47.6 | 0 | 0 | 0 | 0 | 114 | R1819 T1820 L1821 | R1819-T1823 PolarHBondContact O-N 3.34Å; R1819-T1823 PolarHBondContact O-OG1 2.95Å; T1820-T1823 WeakPolarHBondContact CA-OG1 3.3Å; T1820-T1823 PolarHBondContact O-N 3Å; T1820-T1823 VanDerWaalsContact O-N 3.1Å; T1820-T1823 PolarHBondContact O-OG1 3.27Å; L1821-T1823 VanDerWaalsContact C-N 3.31Å; L1821-T1823 PolarHBondContact O-N 3.28Å |
| 1824 | T | 63.2 | Low | 57.5 | Low | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -85.2 | -35.7 | -178.8 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | T1820 L1821 G1826 | T1820-T1824 PolarHBondContact O-N 2.85Å; T1820-T1824 PolarHBondContact O-OG1 2.77Å; L1821-T1824 PolarHBondContact O-N 3.33Å; L1821-T1824 VanDerWaalsContact O-N 3.09Å; T1824-G1826 PolarHBondContact O-N 2.95Å |
| 1825 | S | 51.3 | Low | 55.2 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -83.9 | 3.4 | -173 | -57.4 | 0 | 0 | 0 | 0 | 116 | L1821 V1827 | L1821-S1825 PolarHBondContact O-N 2.99Å; L1821-S1825 PolarHBondContact O-OG 2.99Å; S1825-V1827 VanDerWaalsContact C-N 3.29Å; S1825-V1827 PolarHBondContact O-N 3Å |
| 1826 | G | 38 | Very low | 52.7 | Low | 62 Ų | 62 | 103 Ų | 103 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | trans | 67.8 | -0.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | T1824 T1828 | T1824-G1826 PolarHBondContact O-N 2.95Å; G1826-T1828 PolarHBondContact O-N 2.73Å | ||
| 1827 | V | 32.8 | Very low | 50.1 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | trans | -84.1 | 112 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | S1825 | S1825-V1827 VanDerWaalsContact C-N 3.29Å; S1825-V1827 PolarHBondContact O-N 3Å | ||
| 1828 | T | 29.8 | Very low | 47.4 | Very low | 136 Ų | 136 | 116 Ų | 116 | 83% | 0.834 | 65% | 0.648 | S | S | * | * | trans | -91.5 | 113.8 | 172.2 | 52.1 | 0 | 0 | 0 | 0 | 112 | G1826 | G1826-T1828 PolarHBondContact O-N 2.73Š| ||
| 1829 | T | 28.4 | Very low | 44.8 | Very low | 132 Ų | 132 | 117.3 Ų | 117.3 | 81% | 0.81 | 67% | 0.667 | S | S | * | * | trans | -131.4 | 143.9 | 162.7 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1830 | T | 28.3 | Very low | 42 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | trans | -98.2 | 138.3 | -170.9 | 46.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1831 | T | 28.1 | Very low | 39.3 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | 65.8 | 142.2 | 155 | 50.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1832 | S | 27 | Very low | 36.4 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 81.6 | 125.5 | 169.8 | 70.3 | 0 | 0 | 0 | 0 | 121.2 | ||
| 1833 | D | 28.6 | Very low | 34 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 39.6 | 103.1 | 163 | -60 | -29.8 | 0 | 0 | 0 | 122.1 | K1835 | D1833-K1835 PolarHBondContact O-N 2.73Š| ||
| 1834 | P | 35.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 25.2 | -175.5 | 36.1 | -38.6 | 0 | 0 | 0 | 115.2 | ||
| 1835 | K | 32 | Very low | 30.1 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 12.9 | -175.8 | -81.9 | -164.1 | 173.1 | -172 | 0 | 116.3 | D1833 | D1833-K1835 PolarHBondContact O-N 2.73Š|
| 1836 | K | 31 | Very low | 29.2 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -126.6 | 7.4 | 173.5 | -83.7 | -166.8 | 172.2 | -174 | 0 | 116.9 | L1838 A1839 | K1836-L1838 PolarHBondContact O-N 2.67Å; K1836-L1838 VanDerWaalsContact O-N 3.13Å; K1836-A1839 PolarHBondContact O-N 2.97Å |
| 1837 | I | 27.5 | Very low | 29.1 | Very low | 142 Ų | 142 | 144 Ų | 144 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -6.5 | -177.9 | -66.7 | 174.9 | 0 | 0 | 0 | 113.6 | ||
| 1838 | L | 29.9 | Very low | 29.6 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 13.4 | 174 | -70.2 | 174.7 | 0 | 0 | 0 | 114.3 | K1836 | K1836-L1838 PolarHBondContact O-N 2.67Å; K1836-L1838 VanDerWaalsContact O-N 3.13Å |
| 1839 | A | 29.6 | Very low | 30.6 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -148.6 | 55.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1836 | K1836-A1839 PolarHBondContact O-N 2.97Š|
| 1840 | S | 23.9 | Very low | 32.1 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -158.4 | 74 | 163.9 | 60 | 0 | 0 | 0 | 0 | 111.5 | N1842 | S1840-N1842 PolarHBondContact O-N 2.79Š| ||
| 1841 | E | 24.9 | Very low | 34.2 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -57 | 127.5 | 158.9 | -64.7 | -179.4 | 121.3 | 0 | 0 | 108.6 | ||||
| 1842 | N | 24 | Very low | 36.5 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -144.8 | 99.5 | 170.9 | -120 | -35.5 | 0 | 0 | 0 | 108.8 | S1840 L1844 | S1840-N1842 PolarHBondContact O-N 2.79Å; N1842-L1844 PolarHBondContact O-N 3.38Å | ||
| 1843 | H | 27.3 | Very low | 38.8 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.815 | 69% | 0.691 | S | S | * | * | trans | -36.8 | 111.3 | -168.4 | -62.7 | -86 | 0 | 0 | 0 | 115 | K1845 | H1843-K1845 PolarHBondContact O-N 3.03Š| ||
| 1844 | L | 28.1 | Very low | 41 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 68% | 0.677 | S | S | * | * | trans | -57.2 | 134.2 | 152.1 | -82.9 | 161.8 | 0 | 0 | 0 | 108 | N1842 G1846 | N1842-L1844 PolarHBondContact O-N 3.38Å; L1844-G1846 PolarHBondContact O-N 3.15Å | ||
| 1845 | K | 26.2 | Very low | 43.1 | Very low | 208 Ų | 208 | 127 Ų | 127 | 90% | 0.904 | 67% | 0.666 | S | S | * | * | trans | -59.9 | 97.1 | -164.8 | -65.8 | 174.2 | 179.9 | 176 | 0 | 111.9 | H1843 | H1843-K1845 PolarHBondContact O-N 3.03Š| ||
| 1846 | G | 32.6 | Very low | 45.5 | Very low | 58 Ų | 58 | 123 Ų | 123 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | trans | -61.4 | 146.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1844 V1848 | L1844-G1846 PolarHBondContact O-N 3.15Å; G1846-V1848 PolarHBondContact O-N 3.27Å; G1846-V1848 VanDerWaalsContact O-N 3.07Å | ||
| 1847 | F | 35 | Very low | 48 | Very low | 172 Ų | 172 | 114.8 Ų | 114.8 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | trans | -62.5 | 107.3 | 176.9 | -177.9 | -97 | 0 | 0 | 0 | 109.9 | L1849 | F1847-L1849 HydrophobicContact CD1-CD2 4.45Å; F1847-L1849 HydrophobicContact CE1-CD2 4.28Å; F1847-L1849 PolarHBondContact O-N 3.39Å | ||
| 1848 | V | 44.9 | Very low | 50.5 | Low | 135 Ų | 135 | 111 Ų | 111 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | trans | -74.4 | 95.7 | -177.2 | -177 | 0 | 0 | 0 | 0 | 109.3 | G1846 S1850 | G1846-V1848 PolarHBondContact O-N 3.27Å; G1846-V1848 VanDerWaalsContact O-N 3.07Å; V1848-S1850 PolarHBondContact O-N 2.84Å | ||
| 1849 | L | 49.5 | Very low | 53 | Low | 13 Ų | 13 | 107.6 Ų | 107.6 | 7% | 0.068 | 58% | 0.576 | C | S | . | * | trans | -49.1 | 132 | 166.6 | -75.6 | 169 | 0 | 0 | 0 | 110.2 | F1847 T1853 V1886 | F1847-L1849 HydrophobicContact CD1-CD2 4.45Å; F1847-L1849 HydrophobicContact CE1-CD2 4.28Å; F1847-L1849 PolarHBondContact O-N 3.39Å; L1849-T1853 HydrophobicContact CD2-CG2 3.89Å; L1849-V1886 HydrophobicContact CD1-CG1 3.85Å; L1849-V1886 HydrophobicContact CD1-CG2 3.86Å; L1849-V1886 HydrophobicContact CD2-CG2 3.86Å; L1849-V1886 HydrophobicContact CG-CG2 4.13Å | ||
| 1850 | S | 61.1 | Low | 55.7 | Low | 74 Ų | 74 | 103.7 Ų | 103.7 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | trans | -55.5 | 148.8 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 110.8 | V1848 V1852 T1853 R1854 | V1848-S1850 PolarHBondContact O-N 2.84Å; S1850-V1852 VanDerWaalsContact C-N 3.28Å; S1850-V1852 PolarHBondContact O-N 3.13Å; S1850-T1853 PolarHBondContact O-N 2.8Å; S1850-T1853 PolarHBondContact OG-OG1 2.83Å; S1850-R1854 PolarHBondContact O-N 3.26Å | ||
| 1851 | T | 71.2 | Confident | 58.5 | Low | 87 Ų | 87 | 101 Ų | 101 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -50.4 | -47.1 | -172.8 | 40.8 | 0 | 0 | 0 | 0 | 112.6 | T1853 R1854 E1855 | T1851-T1853 VanDerWaalsContact C-N 3.33Å; T1851-T1853 PolarHBondContact O-N 3.04Å; T1851-R1854 PolarHBondContact O-N 3.47Å; T1851-E1855 WeakPolarHBondContact O-CB 3.5Å; T1851-E1855 WeakPolarHBondContact O-CG 3.39Å; T1851-E1855 PolarHBondContact O-N 2.94Å |
| 1852 | V | 76.6 | Confident | 61.2 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.3 | -42.3 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | S1850 E1855 K1856 | S1850-V1852 VanDerWaalsContact C-N 3.28Å; S1850-V1852 PolarHBondContact O-N 3.13Å; V1852-E1855 PolarHBondContact O-N 2.76Å; V1852-K1856 WeakPolarHBondContact O-CB 3.42Å; V1852-K1856 PolarHBondContact O-N 3.1Å |
| 1853 | T | 75.4 | Confident | 63.9 | Low | 19 Ų | 19 | 95.4 Ų | 95.4 | 12% | 0.117 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -74.6 | -34.4 | -178.7 | -46.7 | 0 | 0 | 0 | 0 | 111.5 | L1849 S1850 T1851 K1856 L1857 F1879 Y1883 | L1849-T1853 HydrophobicContact CD2-CG2 3.89Å; S1850-T1853 PolarHBondContact O-N 2.8Å; S1850-T1853 PolarHBondContact OG-OG1 2.83Å; T1851-T1853 VanDerWaalsContact C-N 3.33Å; T1851-T1853 PolarHBondContact O-N 3.04Å; T1853-K1856 PolarHBondContact O-N 3.47Å; T1853-L1857 PolarHBondContact O-N 3.37Å; T1853-F1879 HydrophobicContact CG2-CE2 3.81Å; T1853-F1879 HydrophobicContact CG2-CZ 3.83Å; T1853-Y1883 HydrophobicContact CG2-CD2 4.49Å; T1853-Y1883 HydrophobicContact CG2-CE1 4.45Å; T1853-Y1883 HydrophobicContact CG2-CE2 3.88Å |
| 1854 | R | 75.7 | Confident | 66.6 | Low | 113 Ų | 113 | 87.2 Ų | 87.2 | 43% | 0.426 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 172.5 | -171.3 | 178.2 | 65 | 85 | 5.9 | 112 | S1850 T1851 T1858 Y1891 | S1850-R1854 PolarHBondContact O-N 3.26Å; T1851-R1854 PolarHBondContact O-N 3.47Å; R1854-T1858 WeakPolarHBondContact O-CB 3.48Å; R1854-T1858 PolarHBondContact O-N 2.91Å; R1854-T1858 PolarHBondContact O-OG1 3.4Å; R1854-Y1891 HydrophobicContact CG-CE1 4.15Å |
| 1855 | E | 79.4 | Confident | 68.8 | Low | 115 Ų | 115 | 81.8 Ų | 81.8 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 172.2 | -77.6 | 159.7 | -162.8 | 0 | 0 | 110.7 | T1851 V1852 L1857 T1858 E1859 | T1851-E1855 WeakPolarHBondContact O-CB 3.5Å; T1851-E1855 WeakPolarHBondContact O-CG 3.39Å; T1851-E1855 PolarHBondContact O-N 2.94Å; V1852-E1855 PolarHBondContact O-N 2.76Å; E1855-L1857 PolarHBondContact O-N 3.02Å; E1855-T1858 CarbonylContact O-C 3.27Å; E1855-T1858 WeakPolarHBondContact O-CA 3.37Å; E1855-T1858 WeakPolarHBondContact O-CB 3.47Å; E1855-T1858 PolarHBondContact O-N 3.03Å; E1855-E1859 PolarHBondContact O-N 2.94Å |
| 1856 | K | 81.1 | Confident | 71.3 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 53% | 0.53 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.1 | -168.1 | 175.9 | -176.7 | -179.8 | 0 | 112.5 | V1852 T1853 T1858 E1859 I1860 | V1852-K1856 WeakPolarHBondContact O-CB 3.42Å; V1852-K1856 PolarHBondContact O-N 3.1Å; T1853-K1856 PolarHBondContact O-N 3.47Å; K1856-T1858 VanDerWaalsContact C-N 3.28Å; K1856-T1858 PolarHBondContact O-N 3.27Å; K1856-E1859 PolarHBondContact O-N 2.87Å; K1856-I1860 HydrophobicContact CG-CD1 4.27Å; K1856-I1860 VanDerWaalsContact O-CG1 3.27Å; K1856-I1860 WeakPolarHBondContact O-CG1 3.43Å; K1856-I1860 PolarHBondContact O-N 2.88Å |
| 1857 | L | 83.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 174.2 | -176.9 | 57.8 | 0 | 0 | 0 | 112.1 | T1853 E1855 I1860 F1861 L1876 F1879 V1886 L1888 Y1891 | T1853-L1857 PolarHBondContact O-N 3.37Å; E1855-L1857 PolarHBondContact O-N 3.02Å; L1857-I1860 PolarHBondContact O-N 3.4Å; L1857-F1861 HydrophobicContact CD1-CD2 4.09Å; L1857-F1861 HydrophobicContact CD1-CE2 3.66Å; L1857-F1861 HydrophobicContact CD1-CZ 4.27Å; L1857-F1861 HydrophobicContact CD2-CE2 4.26Å; L1857-F1861 HydrophobicContact CG-CD2 4.02Å; L1857-F1861 HydrophobicContact CG-CE2 3.73Å; L1857-F1861 VanDerWaalsContact O-CD2 3.22Å; L1857-F1861 WeakPolarHBondContact O-CD2 3.46Å; L1857-F1861 PolarHBondContact O-N 2.9Å; L1857-L1876 HydrophobicContact CD1-CD1 3.83Å; L1857-F1879 HydrophobicContact CB-CE1 4.43Å; L1857-F1879 HydrophobicContact CB-CE2 3.99Å; L1857-F1879 HydrophobicContact CB-CZ 3.86Å; L1857-F1879 HydrophobicContact CD1-CD1 3.96Å; L1857-F1879 HydrophobicContact CD1-CE1 3.91Å; L1857-F1879 HydrophobicContact CD1-CE2 4.46Å; L1857-F1879 HydrophobicContact CD1-CG 4.29Å; L1857-F1879 HydrophobicContact CD1-CZ 4.17Å; L1857-F1879 HydrophobicContact CD2-CE1 4.06Å; L1857-F1879 HydrophobicContact CD2-CZ 4.14Å; L1857-F1879 HydrophobicContact CG-CE1 4.36Å; L1857-F1879 HydrophobicContact CG-CZ 4.27Å; L1857-V1886 HydrophobicContact CD2-CG1 4.45Å; L1857-L1888 HydrophobicContact CD1-CD2 4.02Å; L1857-L1888 HydrophobicContact CD2-CD2 4.4Å; L1857-Y1891 HydrophobicContact CD2-CD1 4.25Å; L1857-Y1891 HydrophobicContact CD2-CD2 3.78Å; L1857-Y1891 HydrophobicContact CD2-CE1 4.24Å; L1857-Y1891 HydrophobicContact CD2-CE2 3.77Å; L1857-Y1891 HydrophobicContact CD2-CG 4.03Å |
| 1858 | T | 80.5 | Confident | 75 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 175.5 | -52.8 | 0 | 0 | 0 | 0 | 112 | R1854 E1855 K1856 K1862 | R1854-T1858 WeakPolarHBondContact O-CB 3.48Å; R1854-T1858 PolarHBondContact O-N 2.91Å; R1854-T1858 PolarHBondContact O-OG1 3.4Å; E1855-T1858 CarbonylContact O-C 3.27Å; E1855-T1858 WeakPolarHBondContact O-CA 3.37Å; E1855-T1858 WeakPolarHBondContact O-CB 3.47Å; E1855-T1858 PolarHBondContact O-N 3.03Å; K1856-T1858 VanDerWaalsContact C-N 3.28Å; K1856-T1858 PolarHBondContact O-N 3.27Å; T1858-K1862 PolarHBondContact O-N 3.12Å |
| 1859 | E | 83.6 | Confident | 76.5 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 173.6 | -170.3 | -178.3 | -170.3 | 0 | 0 | 111.8 | E1855 K1856 F1861 K1862 K1863 | E1855-E1859 PolarHBondContact O-N 2.94Å; K1856-E1859 PolarHBondContact O-N 2.87Å; E1859-F1861 PolarHBondContact O-N 3.15Å; E1859-K1862 WeakPolarHBondContact O-CB 3.47Å; E1859-K1862 PolarHBondContact O-N 3.31Å; E1859-K1862 VanDerWaalsContact O-N 3.13Å; E1859-K1863 PolarHBondContact O-N 3.38Å |
| 1860 | I | 85.1 | Confident | 77.9 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 173.3 | -69.3 | 167.9 | 0 | 0 | 0 | 110.3 | K1856 L1857 K1862 K1863 V1864 G1872 E1875 L1876 F1879 | K1856-I1860 HydrophobicContact CG-CD1 4.27Å; K1856-I1860 VanDerWaalsContact O-CG1 3.27Å; K1856-I1860 WeakPolarHBondContact O-CG1 3.43Å; K1856-I1860 PolarHBondContact O-N 2.88Å; L1857-I1860 PolarHBondContact O-N 3.4Å; I1860-K1862 VanDerWaalsContact C-N 3.3Å; I1860-K1862 PolarHBondContact O-N 2.94Å; I1860-K1863 WeakPolarHBondContact O-CA 3.47Å; I1860-K1863 WeakPolarHBondContact O-CB 3.46Å; I1860-K1863 PolarHBondContact O-N 2.89Å; I1860-V1864 WeakPolarHBondContact O-CG2 3.39Å; I1860-V1864 PolarHBondContact O-N 3.34Å; I1860-G1872 WeakPolarHBondContact CG2-O 3.2Å; I1860-E1875 HydrophobicContact CD1-CB 4.2Å; I1860-E1875 HydrophobicContact CG1-CB 3.95Å; I1860-E1875 HydrophobicContact CG2-CB 4.25Å; I1860-L1876 HydrophobicContact CG2-CB 3.64Å; I1860-L1876 HydrophobicContact CG2-CD1 3.92Å; I1860-L1876 HydrophobicContact CG2-CG 4.34Å; I1860-F1879 HydrophobicContact CD1-CB 4.03Å; I1860-F1879 HydrophobicContact CD1-CD2 3.79Å; I1860-F1879 HydrophobicContact CD1-CG 4.22Å |
| 1861 | F | 82.8 | Confident | 78.9 | Confident | 35 Ų | 35 | 81.6 Ų | 81.6 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 175.5 | -77.1 | -55.7 | 0 | 0 | 0 | 113.2 | L1857 E1859 V1864 G1865 L1876 L1888 Y1891 L1892 I1903 | L1857-F1861 HydrophobicContact CD1-CD2 4.09Å; L1857-F1861 HydrophobicContact CD1-CE2 3.66Å; L1857-F1861 HydrophobicContact CD1-CZ 4.27Å; L1857-F1861 HydrophobicContact CD2-CE2 4.26Å; L1857-F1861 HydrophobicContact CG-CD2 4.02Å; L1857-F1861 HydrophobicContact CG-CE2 3.73Å; L1857-F1861 VanDerWaalsContact O-CD2 3.22Å; L1857-F1861 WeakPolarHBondContact O-CD2 3.46Å; L1857-F1861 PolarHBondContact O-N 2.9Å; E1859-F1861 PolarHBondContact O-N 3.15Å; F1861-V1864 PolarHBondContact O-N 3.31Å; F1861-G1865 PolarHBondContact O-N 3Å; F1861-L1876 HydrophobicContact CE1-CD1 4.1Å; F1861-L1876 HydrophobicContact CE1-CD2 3.91Å; F1861-L1876 HydrophobicContact CZ-CD1 4.11Å; F1861-L1888 HydrophobicContact CZ-CD2 4.13Å; F1861-Y1891 HydrophobicContact CE2-CG 4.37Å; F1861-L1892 HydrophobicContact CD1-CD2 4.38Å; F1861-L1892 HydrophobicContact CE1-CD2 3.66Å; F1861-L1892 HydrophobicContact CE1-CG 4.16Å; F1861-L1892 HydrophobicContact CZ-CD2 4.04Å; F1861-L1892 HydrophobicContact CZ-CG 4.08Å; F1861-I1903 HydrophobicContact CD1-CD1 4.49Å; F1861-I1903 HydrophobicContact CE1-CD1 4.16Å |
| 1862 | K | 81.3 | Confident | 79.6 | Confident | 163 Ų | 163 | 77.4 Ų | 77.4 | 71% | 0.709 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | 170.1 | -82.5 | -177.8 | 173.7 | 180 | 0 | 112.8 | T1858 E1859 I1860 G1865 S1866 | T1858-K1862 PolarHBondContact O-N 3.12Å; E1859-K1862 WeakPolarHBondContact O-CB 3.47Å; E1859-K1862 PolarHBondContact O-N 3.31Å; E1859-K1862 VanDerWaalsContact O-N 3.13Å; I1860-K1862 VanDerWaalsContact C-N 3.3Å; I1860-K1862 PolarHBondContact O-N 2.94Å; K1862-G1865 PolarHBondContact O-N 2.95Å; K1862-S1866 PolarHBondContact O-N 3.07Å |
| 1863 | K | 82.1 | Confident | 80.1 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 27% | 0.27 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 174 | -69.8 | 176.7 | -178.8 | 173.3 | 0 | 111.9 | E1859 I1860 G1865 S1866 E1875 | E1859-K1863 PolarHBondContact O-N 3.38Å; I1860-K1863 WeakPolarHBondContact O-CA 3.47Å; I1860-K1863 WeakPolarHBondContact O-CB 3.46Å; I1860-K1863 PolarHBondContact O-N 2.89Å; K1863-G1865 VanDerWaalsContact C-N 3.27Å; K1863-G1865 PolarHBondContact O-N 3.21Å; K1863-S1866 WeakPolarHBondContact O-CB 3.32Å; K1863-S1866 PolarHBondContact O-N 3.31Å; K1863-S1866 PolarHBondContact O-OG 3Å; K1863-E1875 WeakPolarHBondContact CD-OE2 3.49Å; K1863-E1875 IonicContact NZ-OE1 2.72Å; K1863-E1875 PolarHBondContact NZ-OE1 3.33Å; K1863-E1875 IonicContact NZ-OE2 3.18Å; K1863-E1875 PolarHBondContact NZ-OE2 3.08Å |
| 1864 | V | 82 | Confident | 80.6 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -37 | 174.9 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | I1860 F1861 S1866 P1869 G1872 L1873 L1876 F1899 I1903 | I1860-V1864 WeakPolarHBondContact O-CG2 3.39Å; I1860-V1864 PolarHBondContact O-N 3.34Å; F1861-V1864 PolarHBondContact O-N 3.31Å; V1864-S1866 VanDerWaalsContact C-N 3.28Å; V1864-S1866 PolarHBondContact O-N 3.11Å; V1864-P1869 WeakPolarHBondContact O-CB 3.42Å; V1864-G1872 WeakPolarHBondContact CG2-O 3.37Å; V1864-L1873 HydrophobicContact CG1-CD2 3.8Å; V1864-L1873 HydrophobicContact CG1-CG 4.13Å; V1864-L1873 HydrophobicContact CG2-CD2 4.12Å; V1864-L1873 HydrophobicContact CG2-CG 4.19Å; V1864-L1876 HydrophobicContact CG2-CD2 4.46Å; V1864-F1899 HydrophobicContact CG1-CE2 4.18Å; V1864-F1899 HydrophobicContact CG1-CZ 3.8Å; V1864-I1903 HydrophobicContact CG1-CD1 4.1Å; V1864-I1903 HydrophobicContact CG1-CG1 4.2Å |
| 1865 | G | 76.3 | Confident | 81.1 | Confident | 58 Ų | 58 | 72 Ų | 72 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 7.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1861 K1862 K1863 | F1861-G1865 PolarHBondContact O-N 3Å; K1862-G1865 PolarHBondContact O-N 2.95Å; K1863-G1865 VanDerWaalsContact C-N 3.27Å; K1863-G1865 PolarHBondContact O-N 3.21Å |
| 1866 | S | 78.7 | Confident | 81.6 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -91.3 | 178.4 | -177.1 | 84.6 | 0 | 0 | 0 | 0 | 112.8 | K1862 K1863 V1864 K1868 | K1862-S1866 PolarHBondContact O-N 3.07Å; K1863-S1866 WeakPolarHBondContact O-CB 3.32Å; K1863-S1866 PolarHBondContact O-N 3.31Å; K1863-S1866 PolarHBondContact O-OG 3Å; V1864-S1866 VanDerWaalsContact C-N 3.28Å; V1864-S1866 PolarHBondContact O-N 3.11Å; S1866-K1868 PolarHBondContact O-N 3.43Å; S1866-K1868 VanDerWaalsContact O-N 3.08Å; S1866-K1868 PolarHBondContact OG-N 2.93Å; S1866-K1868 VanDerWaalsContact OG-N 3.13Å; S1866-K1868 PolarHBondContact OG-O 2.67Å |
| 1867 | K | 72.8 | Confident | 81.9 | Confident | 217 Ų | 217 | 62.6 Ų | 62.6 | 94% | 0.943 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66.2 | -2.1 | 172.6 | -68.2 | -169.6 | 176.8 | -174.3 | 0 | 114.5 | ||
| 1868 | K | 72 | Confident | 81.9 | Confident | 129 Ų | 129 | 65.5 Ų | 65.5 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | trans | -137.1 | 82.2 | 175.2 | -73.6 | -175.3 | 167.5 | -166.2 | 0 | 109.8 | S1866 D1870 E1871 | S1866-K1868 PolarHBondContact O-N 3.43Å; S1866-K1868 VanDerWaalsContact O-N 3.08Å; S1866-K1868 PolarHBondContact OG-N 2.93Å; S1866-K1868 VanDerWaalsContact OG-N 3.13Å; S1866-K1868 PolarHBondContact OG-O 2.67Å; K1868-D1870 VanDerWaalsContact C-N 3.33Å; K1868-D1870 PolarHBondContact O-N 3.42Å; K1868-E1871 IonicContact NZ-OE1 3.75Å | ||
| 1869 | P | 76.7 | Confident | 82.2 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69 | -29.1 | -174.7 | 27.8 | -35.4 | 0 | 0 | 0 | 113.2 | V1864 E1871 G1872 L1873 | V1864-P1869 WeakPolarHBondContact O-CB 3.42Å; P1869-E1871 PolarHBondContact O-N 2.98Å; P1869-G1872 CarbonylContact O-C 3.51Å; P1869-G1872 PolarHBondContact O-N 2.86Å; P1869-G1872 VanDerWaalsContact O-N 3.09Å; P1869-L1873 HydrophobicContact CB-CD1 4.08Å; P1869-L1873 WeakPolarHBondContact O-CG 3.45Å; P1869-L1873 PolarHBondContact O-N 2.66Å |
| 1870 | D | 78.3 | Confident | 82.1 | Confident | 108 Ų | 108 | 59 Ų | 59 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | -167.8 | -52.3 | -59.7 | 0 | 0 | 0 | 114.5 | K1868 N1874 | K1868-D1870 VanDerWaalsContact C-N 3.33Å; K1868-D1870 PolarHBondContact O-N 3.42Å; D1870-N1874 PolarHBondContact O-N 3.43Å; D1870-N1874 VanDerWaalsContact O-N 3.07Å; D1870-N1874 PolarHBondContact O-ND2 3.2Å |
| 1871 | E | 81.1 | Confident | 81.8 | Confident | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 172.6 | -71.3 | 170.5 | -164.3 | 0 | 0 | 109.9 | K1868 P1869 L1873 N1874 E1875 | K1868-E1871 IonicContact NZ-OE1 3.75Å; P1869-E1871 PolarHBondContact O-N 2.98Å; E1871-L1873 VanDerWaalsContact C-N 3.35Å; E1871-L1873 PolarHBondContact O-N 2.71Å; E1871-N1874 PolarHBondContact O-N 3.02Å; E1871-E1875 PolarHBondContact O-N 3.29Å |
| 1872 | G | 86 | Confident | 81.6 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1860 V1864 P1869 E1875 L1876 | I1860-G1872 WeakPolarHBondContact CG2-O 3.2Å; V1864-G1872 WeakPolarHBondContact CG2-O 3.37Å; P1869-G1872 CarbonylContact O-C 3.51Å; P1869-G1872 PolarHBondContact O-N 2.86Å; P1869-G1872 VanDerWaalsContact O-N 3.09Å; G1872-E1875 PolarHBondContact O-N 3.34Å; G1872-L1876 WeakPolarHBondContact O-CB 3.35Å; G1872-L1876 PolarHBondContact O-N 3.27Å |
| 1873 | L | 88 | Confident | 81.4 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.3 | -34.1 | 177.6 | -71.9 | 165.7 | 0 | 0 | 0 | 112 | V1864 P1869 E1871 Y1877 Y1902 I1903 A1906 I1910 | V1864-L1873 HydrophobicContact CG1-CD2 3.8Å; V1864-L1873 HydrophobicContact CG1-CG 4.13Å; V1864-L1873 HydrophobicContact CG2-CD2 4.12Å; V1864-L1873 HydrophobicContact CG2-CG 4.19Å; P1869-L1873 HydrophobicContact CB-CD1 4.08Å; P1869-L1873 WeakPolarHBondContact O-CG 3.45Å; P1869-L1873 PolarHBondContact O-N 2.66Å; E1871-L1873 VanDerWaalsContact C-N 3.35Å; E1871-L1873 PolarHBondContact O-N 2.71Å; L1873-Y1877 PolarHBondContact O-N 3.2Å; L1873-Y1902 HydrophobicContact CD1-CE1 4.06Å; L1873-Y1902 WeakPolarHBondContact CD1-OH 3.42Å; L1873-I1903 HydrophobicContact CD2-CG1 4.15Å; L1873-A1906 HydrophobicContact CD1-CB 3.9Å; L1873-A1906 HydrophobicContact CD2-CB 3.93Å; L1873-A1906 HydrophobicContact CG-CB 4.42Å; L1873-I1910 HydrophobicContact CB-CD1 3.82Å; L1873-I1910 WeakPolarHBondContact O-CD1 3.12Å |
| 1874 | N | 85.4 | Confident | 80.8 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 169.5 | -86.9 | -85.8 | 0 | 0 | 0 | 111.5 | D1870 E1871 L1876 Y1877 D1878 R1914 | D1870-N1874 PolarHBondContact O-N 3.43Å; D1870-N1874 VanDerWaalsContact O-N 3.07Å; D1870-N1874 PolarHBondContact O-ND2 3.2Å; E1871-N1874 PolarHBondContact O-N 3.02Å; N1874-L1876 VanDerWaalsContact C-N 3.26Å; N1874-L1876 PolarHBondContact O-N 3.33Å; N1874-Y1877 WeakPolarHBondContact O-CB 3.26Å; N1874-Y1877 PolarHBondContact O-N 3.44Å; N1874-Y1877 VanDerWaalsContact O-N 3.15Å; N1874-D1878 PolarHBondContact O-N 2.78Å; N1874-R1914 PolarHBondContact OD1-NH2 3.33Å |
| 1875 | E | 86.8 | Confident | 79.8 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -34.4 | 175.5 | -71.1 | -179.5 | -151.6 | 0 | 0 | 112.5 | I1860 K1863 E1871 G1872 F1879 | I1860-E1875 HydrophobicContact CD1-CB 4.2Å; I1860-E1875 HydrophobicContact CG1-CB 3.95Å; I1860-E1875 HydrophobicContact CG2-CB 4.25Å; K1863-E1875 WeakPolarHBondContact CD-OE2 3.49Å; K1863-E1875 IonicContact NZ-OE1 2.72Å; K1863-E1875 PolarHBondContact NZ-OE1 3.33Å; K1863-E1875 IonicContact NZ-OE2 3.18Å; K1863-E1875 PolarHBondContact NZ-OE2 3.08Å; E1871-E1875 PolarHBondContact O-N 3.29Å; G1872-E1875 PolarHBondContact O-N 3.34Å; E1875-F1879 VanDerWaalsContact O-CB 3.27Å; E1875-F1879 WeakPolarHBondContact O-CB 3.47Å; E1875-F1879 PolarHBondContact O-N 3.49Å |
| 1876 | L | 89.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 174.4 | -170.3 | 63.3 | 0 | 0 | 0 | 112.4 | L1857 I1860 F1861 V1864 G1872 N1874 F1879 T1880 L1888 I1903 L1907 | L1857-L1876 HydrophobicContact CD1-CD1 3.83Å; I1860-L1876 HydrophobicContact CG2-CB 3.64Å; I1860-L1876 HydrophobicContact CG2-CD1 3.92Å; I1860-L1876 HydrophobicContact CG2-CG 4.34Å; F1861-L1876 HydrophobicContact CE1-CD1 4.1Å; F1861-L1876 HydrophobicContact CE1-CD2 3.91Å; F1861-L1876 HydrophobicContact CZ-CD1 4.11Å; V1864-L1876 HydrophobicContact CG2-CD2 4.46Å; G1872-L1876 WeakPolarHBondContact O-CB 3.35Å; G1872-L1876 PolarHBondContact O-N 3.27Å; N1874-L1876 VanDerWaalsContact C-N 3.26Å; N1874-L1876 PolarHBondContact O-N 3.33Å; L1876-F1879 PolarHBondContact O-N 2.93Å; L1876-T1880 PolarHBondContact O-N 3.03Å; L1876-T1880 PolarHBondContact O-OG1 3.45Å; L1876-L1888 HydrophobicContact CD1-CD1 3.99Å; L1876-L1888 HydrophobicContact CD1-CD2 4.03Å; L1876-L1888 HydrophobicContact CD2-CD1 4.32Å; L1876-L1888 HydrophobicContact CG-CD1 4.19Å; L1876-I1903 HydrophobicContact CD2-CD1 4.49Å; L1876-I1903 HydrophobicContact CD2-CG2 3.7Å; L1876-L1907 HydrophobicContact CB-CD2 4.32Å; L1876-L1907 HydrophobicContact CD2-CD1 4.4Å; L1876-L1907 HydrophobicContact CD2-CD2 4.48Å; L1876-L1907 HydrophobicContact CG-CD2 4.28Å |
| 1877 | Y | 87.6 | Confident | 79.3 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 171.4 | -173.2 | -97.1 | 0 | 0 | 0 | 110.9 | L1873 N1874 F1879 T1880 Q1881 L1907 I1910 A1911 | L1873-Y1877 PolarHBondContact O-N 3.2Å; N1874-Y1877 WeakPolarHBondContact O-CB 3.26Å; N1874-Y1877 PolarHBondContact O-N 3.44Å; N1874-Y1877 VanDerWaalsContact O-N 3.15Å; Y1877-F1879 VanDerWaalsContact C-N 3.28Å; Y1877-F1879 PolarHBondContact O-N 3.01Å; Y1877-T1880 PolarHBondContact O-N 3.35Å; Y1877-T1880 VanDerWaalsContact O-N 3.12Å; Y1877-T1880 PolarHBondContact O-OG1 2.94Å; Y1877-Q1881 HydrophobicContact CD1-CG 4.08Å; Y1877-Q1881 HydrophobicContact CE1-CG 3.65Å; Y1877-Q1881 WeakPolarHBondContact O-CG 3.32Å; Y1877-Q1881 PolarHBondContact O-N 3.13Å; Y1877-Q1881 PolarHBondContact OH-NE2 2.97Å; Y1877-L1907 HydrophobicContact CD2-CB 4.41Å; Y1877-L1907 HydrophobicContact CD2-CD2 4.07Å; Y1877-L1907 HydrophobicContact CG-CD2 4.43Å; Y1877-I1910 HydrophobicContact CD1-CG2 3.83Å; Y1877-I1910 HydrophobicContact CD2-CB 4.39Å; Y1877-I1910 HydrophobicContact CD2-CG2 4.13Å; Y1877-I1910 HydrophobicContact CE1-CG2 4.45Å; Y1877-I1910 HydrophobicContact CG-CB 4.35Å; Y1877-I1910 HydrophobicContact CG-CG2 3.64Å; Y1877-A1911 HydrophobicContact CE2-CB 3.65Å; Y1877-A1911 WeakPolarHBondContact OH-CB 3.44Å |
| 1878 | D | 84.4 | Confident | 79.4 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 177.5 | -71.6 | -44.8 | 0 | 0 | 0 | 112.1 | N1874 Q1881 L1882 R1914 | N1874-D1878 PolarHBondContact O-N 2.78Å; D1878-Q1881 PolarHBondContact O-N 2.86Å; D1878-L1882 VanDerWaalsContact O-CD1 3.29Å; D1878-L1882 WeakPolarHBondContact O-CD1 3.47Å; D1878-L1882 PolarHBondContact O-N 2.9Å; D1878-R1914 VanDerWaalsContact CG-NH1 3.33Å; D1878-R1914 IonicContact OD1-CZ 2.63Å; D1878-R1914 IonicContact OD1-NH1 3.26Å; D1878-R1914 PolarHBondContact OD1-NH1 3.4Å; D1878-R1914 IonicContact OD1-NH2 2.81Å; D1878-R1914 IonicContact OD2-CZ 2.99Å; D1878-R1914 IonicContact OD2-NH1 3.46Å; D1878-R1914 PolarHBondContact OD2-NH1 3.4Å; D1878-R1914 IonicContact OD2-NH2 2.62Å; D1878-R1914 PolarHBondContact OD2-NH2 2.88Å |
| 1879 | F | 86.8 | Confident | 79.3 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 172.3 | -169.4 | -78.1 | 0 | 0 | 0 | 112.4 | T1853 L1857 I1860 E1875 L1876 Y1877 Q1881 L1882 Y1883 V1886 | T1853-F1879 HydrophobicContact CG2-CE2 3.81Å; T1853-F1879 HydrophobicContact CG2-CZ 3.83Å; L1857-F1879 HydrophobicContact CB-CE1 4.43Å; L1857-F1879 HydrophobicContact CB-CE2 3.99Å; L1857-F1879 HydrophobicContact CB-CZ 3.86Å; L1857-F1879 HydrophobicContact CD1-CD1 3.96Å; L1857-F1879 HydrophobicContact CD1-CE1 3.91Å; L1857-F1879 HydrophobicContact CD1-CE2 4.46Å; L1857-F1879 HydrophobicContact CD1-CG 4.29Å; L1857-F1879 HydrophobicContact CD1-CZ 4.17Å; L1857-F1879 HydrophobicContact CD2-CE1 4.06Å; L1857-F1879 HydrophobicContact CD2-CZ 4.14Å; L1857-F1879 HydrophobicContact CG-CE1 4.36Å; L1857-F1879 HydrophobicContact CG-CZ 4.27Å; I1860-F1879 HydrophobicContact CD1-CB 4.03Å; I1860-F1879 HydrophobicContact CD1-CD2 3.79Å; I1860-F1879 HydrophobicContact CD1-CG 4.22Å; E1875-F1879 VanDerWaalsContact O-CB 3.27Å; E1875-F1879 WeakPolarHBondContact O-CB 3.47Å; E1875-F1879 PolarHBondContact O-N 3.49Å; L1876-F1879 PolarHBondContact O-N 2.93Å; Y1877-F1879 VanDerWaalsContact C-N 3.28Å; Y1877-F1879 PolarHBondContact O-N 3.01Å; F1879-Q1881 VanDerWaalsContact C-N 3.32Å; F1879-Q1881 PolarHBondContact O-N 3.4Å; F1879-L1882 PolarHBondContact O-N 2.99Å; F1879-Y1883 HydrophobicContact CD1-CD2 4.01Å; F1879-Y1883 HydrophobicContact CD2-CD2 4.04Å; F1879-Y1883 HydrophobicContact CD2-CE2 4.22Å; F1879-Y1883 AromaticContact CE1-CD2 3.81Å; F1879-Y1883 HydrophobicContact CE1-CD2 3.81Å; F1879-Y1883 HydrophobicContact CE1-CG 4.33Å; F1879-Y1883 AromaticContact CE2-CD2 3.85Å; F1879-Y1883 HydrophobicContact CE2-CD2 3.85Å; F1879-Y1883 AromaticContact CE2-CE2 3.95Å; F1879-Y1883 HydrophobicContact CE2-CE2 3.95Å; F1879-Y1883 HydrophobicContact CG-CD2 4.11Å; F1879-Y1883 AromaticContact CZ-CD2 3.73Å; F1879-Y1883 HydrophobicContact CZ-CD2 3.73Å; F1879-Y1883 HydrophobicContact CZ-CE2 4.19Å; F1879-Y1883 HydrophobicContact CZ-CG 4.45Å; F1879-Y1883 PolarHBondContact O-N 3.17Å; F1879-V1886 HydrophobicContact CE1-CG1 4.27Å |
| 1880 | T | 80.8 | Confident | 78.9 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 18% | 0.184 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.1 | -25.5 | 176.6 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | L1876 Y1877 Y1883 P1884 L1888 | L1876-T1880 PolarHBondContact O-N 3.03Å; L1876-T1880 PolarHBondContact O-OG1 3.45Å; Y1877-T1880 PolarHBondContact O-N 3.35Å; Y1877-T1880 VanDerWaalsContact O-N 3.12Å; Y1877-T1880 PolarHBondContact O-OG1 2.94Å; T1880-Y1883 CarbonylContact O-C 3.57Å; T1880-P1884 WeakPolarHBondContact O-CA 3.49Å; T1880-L1888 HydrophobicContact CG2-CD1 3.56Å; T1880-L1888 HydrophobicContact CG2-CD2 4.3Å; T1880-L1888 HydrophobicContact CG2-CG 3.95Å |
| 1881 | Q | 78.9 | Confident | 78.5 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.3 | -35.2 | 170.5 | -64.8 | -61 | -55 | 0 | 0 | 112.4 | Y1877 D1878 F1879 | Y1877-Q1881 HydrophobicContact CD1-CG 4.08Å; Y1877-Q1881 HydrophobicContact CE1-CG 3.65Å; Y1877-Q1881 WeakPolarHBondContact O-CG 3.32Å; Y1877-Q1881 PolarHBondContact O-N 3.13Å; Y1877-Q1881 PolarHBondContact OH-NE2 2.97Å; D1878-Q1881 PolarHBondContact O-N 2.86Å; F1879-Q1881 VanDerWaalsContact C-N 3.32Å; F1879-Q1881 PolarHBondContact O-N 3.4Å |
| 1882 | L | 77.6 | Confident | 78 | Confident | 123 Ų | 123 | 56 Ų | 56 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -74.7 | -32.2 | 174.3 | -96.7 | 78.5 | 0 | 0 | 0 | 113.4 | D1878 F1879 | D1878-L1882 VanDerWaalsContact O-CD1 3.29Å; D1878-L1882 WeakPolarHBondContact O-CD1 3.47Å; D1878-L1882 PolarHBondContact O-N 2.9Å; F1879-L1882 PolarHBondContact O-N 2.99Å |
| 1883 | Y | 78.6 | Confident | 77.2 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | trans | -131.3 | 65.4 | -173.8 | -56.3 | -73 | 0 | 0 | 0 | 111.7 | T1853 F1879 T1880 D1885 V1886 | T1853-Y1883 HydrophobicContact CG2-CD2 4.49Å; T1853-Y1883 HydrophobicContact CG2-CE1 4.45Å; T1853-Y1883 HydrophobicContact CG2-CE2 3.88Å; F1879-Y1883 HydrophobicContact CD1-CD2 4.01Å; F1879-Y1883 HydrophobicContact CD2-CD2 4.04Å; F1879-Y1883 HydrophobicContact CD2-CE2 4.22Å; F1879-Y1883 AromaticContact CE1-CD2 3.81Å; F1879-Y1883 HydrophobicContact CE1-CD2 3.81Å; F1879-Y1883 HydrophobicContact CE1-CG 4.33Å; F1879-Y1883 AromaticContact CE2-CD2 3.85Å; F1879-Y1883 HydrophobicContact CE2-CD2 3.85Å; F1879-Y1883 AromaticContact CE2-CE2 3.95Å; F1879-Y1883 HydrophobicContact CE2-CE2 3.95Å; F1879-Y1883 HydrophobicContact CG-CD2 4.11Å; F1879-Y1883 AromaticContact CZ-CD2 3.73Å; F1879-Y1883 HydrophobicContact CZ-CD2 3.73Å; F1879-Y1883 HydrophobicContact CZ-CE2 4.19Å; F1879-Y1883 HydrophobicContact CZ-CG 4.45Å; F1879-Y1883 PolarHBondContact O-N 3.17Å; T1880-Y1883 CarbonylContact O-C 3.57Å; Y1883-D1885 PolarHBondContact O-N 3.1Å; Y1883-V1886 WeakPolarHBondContact O-CB 3.47Å; Y1883-V1886 PolarHBondContact O-N 3.42Å; Y1883-V1886 VanDerWaalsContact O-N 3.09Å | ||
| 1884 | P | 69.6 | Low | 76.2 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.1 | -173.4 | 26.3 | -35.9 | 0 | 0 | 0 | 114.2 | T1880 V1886 | T1880-P1884 WeakPolarHBondContact O-CA 3.49Å; P1884-V1886 VanDerWaalsContact C-N 3.26Å; P1884-V1886 PolarHBondContact O-N 3.03Å |
| 1885 | D | 60.9 | Low | 75.7 | Confident | 154 Ų | 154 | 67.3 Ų | 67.3 | 82% | 0.824 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -4.1 | 177.4 | -55.2 | -44.7 | 0 | 0 | 0 | 113.5 | Y1883 D1887 | Y1883-D1885 PolarHBondContact O-N 3.1Å; D1885-D1887 PolarHBondContact O-N 3.03Å |
| 1886 | V | 71.7 | Confident | 75.2 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 12% | 0.121 | 37% | 0.374 | C | S | . | . | trans | -85.5 | 106.2 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | L1849 L1857 F1879 Y1883 P1884 L1888 Y1891 | L1849-V1886 HydrophobicContact CD1-CG1 3.85Å; L1849-V1886 HydrophobicContact CD1-CG2 3.86Å; L1849-V1886 HydrophobicContact CD2-CG2 3.86Å; L1849-V1886 HydrophobicContact CG-CG2 4.13Å; L1857-V1886 HydrophobicContact CD2-CG1 4.45Å; F1879-V1886 HydrophobicContact CE1-CG1 4.27Å; Y1883-V1886 WeakPolarHBondContact O-CB 3.47Å; Y1883-V1886 PolarHBondContact O-N 3.42Å; Y1883-V1886 VanDerWaalsContact O-N 3.09Å; P1884-V1886 VanDerWaalsContact C-N 3.26Å; P1884-V1886 PolarHBondContact O-N 3.03Å; V1886-L1888 PolarHBondContact O-N 3.4Å; V1886-Y1891 HydrophobicContact CG1-CE2 4.39Å | ||
| 1887 | D | 73.2 | Confident | 74.5 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | trans | -70.1 | 103 | 172.1 | -178.1 | 20.8 | 0 | 0 | 0 | 111.8 | D1885 S1889 S1890 | D1885-D1887 PolarHBondContact O-N 3.03Å; D1887-S1889 VanDerWaalsContact CG-OG 3.26Å; D1887-S1889 PolarHBondContact O-N 3.31Å; D1887-S1889 WeakPolarHBondContact OD1-CB 3.34Å; D1887-S1889 PolarHBondContact OD1-N 3.34Å; D1887-S1889 PolarHBondContact OD1-OG 3.12Å; D1887-S1889 WeakPolarHBondContact OD2-CB 3.27Å; D1887-S1889 PolarHBondContact OD2-OG 3.26Å; D1887-S1890 PolarHBondContact O-N 3.12Å; D1887-S1890 PolarHBondContact O-OG 3.3Å | ||
| 1888 | L | 74.2 | Confident | 73.9 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 11% | 0.105 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.1 | 171.7 | -65.3 | -173.5 | 0 | 0 | 0 | 113 | L1857 F1861 L1876 T1880 V1886 S1890 Y1891 L1892 L1907 | L1857-L1888 HydrophobicContact CD1-CD2 4.02Å; L1857-L1888 HydrophobicContact CD2-CD2 4.4Å; F1861-L1888 HydrophobicContact CZ-CD2 4.13Å; L1876-L1888 HydrophobicContact CD1-CD1 3.99Å; L1876-L1888 HydrophobicContact CD1-CD2 4.03Å; L1876-L1888 HydrophobicContact CD2-CD1 4.32Å; L1876-L1888 HydrophobicContact CG-CD1 4.19Å; T1880-L1888 HydrophobicContact CG2-CD1 3.56Å; T1880-L1888 HydrophobicContact CG2-CD2 4.3Å; T1880-L1888 HydrophobicContact CG2-CG 3.95Å; V1886-L1888 PolarHBondContact O-N 3.4Å; L1888-S1890 VanDerWaalsContact C-N 3.26Å; L1888-S1890 PolarHBondContact O-N 3.24Å; L1888-Y1891 PolarHBondContact O-N 3.19Å; L1888-Y1891 VanDerWaalsContact O-N 3.1Å; L1888-L1892 HydrophobicContact CB-CD1 4.18Å; L1888-L1892 WeakPolarHBondContact O-CB 3.43Å; L1888-L1892 WeakPolarHBondContact O-CG 3.42Å; L1888-L1892 PolarHBondContact O-N 2.91Å; L1888-L1907 HydrophobicContact CD1-CD1 4.27Å |
| 1889 | S | 69.7 | Low | 73.7 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | -178.1 | 94 | 0 | 0 | 0 | 0 | 111.4 | D1887 Y1891 L1892 T1893 | D1887-S1889 VanDerWaalsContact CG-OG 3.26Å; D1887-S1889 PolarHBondContact O-N 3.31Å; D1887-S1889 WeakPolarHBondContact OD1-CB 3.34Å; D1887-S1889 PolarHBondContact OD1-N 3.34Å; D1887-S1889 PolarHBondContact OD1-OG 3.12Å; D1887-S1889 WeakPolarHBondContact OD2-CB 3.27Å; D1887-S1889 PolarHBondContact OD2-OG 3.26Å; S1889-Y1891 PolarHBondContact O-N 3.42Å; S1889-L1892 CarbonylContact O-C 3.58Å; S1889-L1892 PolarHBondContact O-N 2.88Å; S1889-T1893 WeakPolarHBondContact O-CG2 3.46Å; S1889-T1893 PolarHBondContact O-N 3.11Å |
| 1890 | S | 67.4 | Low | 73.3 | Confident | 70 Ų | 70 | 83 Ų | 83 | 49% | 0.49 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -21.4 | 179.7 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | D1887 L1888 T1893 | D1887-S1890 PolarHBondContact O-N 3.12Å; D1887-S1890 PolarHBondContact O-OG 3.3Å; L1888-S1890 VanDerWaalsContact C-N 3.26Å; L1888-S1890 PolarHBondContact O-N 3.24Å; S1890-T1893 PolarHBondContact O-OG1 2.99Å |
| 1891 | Y | 70.4 | Confident | 73.1 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 30% | 0.302 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -94 | -24.6 | 173.2 | -66.6 | -84.5 | 0 | 0 | 0 | 112.6 | R1854 L1857 F1861 V1886 L1888 S1889 | R1854-Y1891 HydrophobicContact CG-CE1 4.15Å; L1857-Y1891 HydrophobicContact CD2-CD1 4.25Å; L1857-Y1891 HydrophobicContact CD2-CD2 3.78Å; L1857-Y1891 HydrophobicContact CD2-CE1 4.24Å; L1857-Y1891 HydrophobicContact CD2-CE2 3.77Å; L1857-Y1891 HydrophobicContact CD2-CG 4.03Å; F1861-Y1891 HydrophobicContact CE2-CG 4.37Å; V1886-Y1891 HydrophobicContact CG1-CE2 4.39Å; L1888-Y1891 PolarHBondContact O-N 3.19Å; L1888-Y1891 VanDerWaalsContact O-N 3.1Å; S1889-Y1891 PolarHBondContact O-N 3.42Å |
| 1892 | L | 71.5 | Confident | 73.2 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -91.1 | -13.6 | -178.6 | -74.9 | 175 | 0 | 0 | 0 | 114.1 | F1861 L1888 S1889 N1894 T1895 F1899 Q1900 I1903 | F1861-L1892 HydrophobicContact CD1-CD2 4.38Å; F1861-L1892 HydrophobicContact CE1-CD2 3.66Å; F1861-L1892 HydrophobicContact CE1-CG 4.16Å; F1861-L1892 HydrophobicContact CZ-CD2 4.04Å; F1861-L1892 HydrophobicContact CZ-CG 4.08Å; L1888-L1892 HydrophobicContact CB-CD1 4.18Å; L1888-L1892 WeakPolarHBondContact O-CB 3.43Å; L1888-L1892 WeakPolarHBondContact O-CG 3.42Å; L1888-L1892 PolarHBondContact O-N 2.91Å; S1889-L1892 CarbonylContact O-C 3.58Å; S1889-L1892 PolarHBondContact O-N 2.88Å; L1892-N1894 PolarHBondContact O-N 3.44Å; L1892-N1894 VanDerWaalsContact O-N 3.13Å; L1892-T1895 WeakPolarHBondContact O-CA 3.43Å; L1892-T1895 WeakPolarHBondContact O-CB 3.5Å; L1892-T1895 PolarHBondContact O-N 2.93Å; L1892-T1895 PolarHBondContact O-OG1 3.17Å; L1892-F1899 HydrophobicContact CD2-CD1 4.33Å; L1892-F1899 HydrophobicContact CD2-CE1 4.31Å; L1892-Q1900 HydrophobicContact CB-CG 4.16Å; L1892-Q1900 PolarHBondContact O-NE2 3.13Å; L1892-I1903 HydrophobicContact CD1-CG2 4.47Å; L1892-I1903 HydrophobicContact CD2-CD1 3.76Å |
| 1893 | T | 68.7 | Low | 73.6 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -40.4 | 176.4 | 40.1 | 0 | 0 | 0 | 0 | 113.9 | S1889 S1890 T1895 | S1889-T1893 WeakPolarHBondContact O-CG2 3.46Å; S1889-T1893 PolarHBondContact O-N 3.11Å; S1890-T1893 PolarHBondContact O-OG1 2.99Å; T1893-T1895 VanDerWaalsContact C-N 3.26Å; T1893-T1895 PolarHBondContact O-N 2.9Å |
| 1894 | N | 67.3 | Low | 73.7 | Confident | 160 Ų | 160 | 79.6 Ų | 79.6 | 86% | 0.856 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 8.2 | 179.9 | -68.1 | -22.9 | 0 | 0 | 0 | 114.1 | L1892 | L1892-N1894 PolarHBondContact O-N 3.44Å; L1892-N1894 VanDerWaalsContact O-N 3.13Å |
| 1895 | T | 75.4 | Confident | 74.2 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -116.3 | 151 | 178 | 69 | 0 | 0 | 0 | 0 | 111.3 | L1892 T1893 F1899 Q1900 | L1892-T1895 WeakPolarHBondContact O-CA 3.43Å; L1892-T1895 WeakPolarHBondContact O-CB 3.5Å; L1892-T1895 PolarHBondContact O-N 2.93Å; L1892-T1895 PolarHBondContact O-OG1 3.17Å; T1893-T1895 VanDerWaalsContact C-N 3.26Å; T1893-T1895 PolarHBondContact O-N 2.9Å; T1895-F1899 HydrophobicContact CG2-CD1 4.07Å; T1895-F1899 HydrophobicContact CG2-CE1 4.27Å; T1895-Q1900 PolarHBondContact O-NE2 3.29Å |
| 1896 | S | 76.5 | Confident | 75.3 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | trans | -60.9 | 145.7 | -174.9 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | F1898 F1899 Q1900 | S1896-F1898 PolarHBondContact O-N 2.99Å; S1896-F1898 VanDerWaalsContact O-N 3.1Å; S1896-F1899 WeakPolarHBondContact O-CA 3.38Å; S1896-F1899 WeakPolarHBondContact O-CB 3.49Å; S1896-F1899 PolarHBondContact O-N 3.43Å; S1896-Q1900 WeakPolarHBondContact O-CG 2.94Å; S1896-Q1900 PolarHBondContact O-N 2.72Å; S1896-Q1900 VanDerWaalsContact O-N 3.07Å | ||
| 1897 | Q | 74.1 | Confident | 76.1 | Confident | 170 Ų | 170 | 73 Ų | 73 | 79% | 0.794 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -54.3 | -34.6 | -179.4 | -69.5 | -176 | -7.5 | 0 | 0 | 112.8 | Q1900 A1901 | Q1897-Q1900 PolarHBondContact O-N 2.89Å; Q1897-A1901 WeakPolarHBondContact O-CB 3.44Å; Q1897-A1901 PolarHBondContact O-N 3.19Å |
| 1898 | F | 73.7 | Confident | 76.4 | Confident | 155 Ų | 155 | 76.7 Ų | 76.7 | 68% | 0.68 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59 | -44.9 | 173.3 | -170 | -86.4 | 0 | 0 | 0 | 112.4 | S1896 A1901 Y1902 | S1896-F1898 PolarHBondContact O-N 2.99Å; S1896-F1898 VanDerWaalsContact O-N 3.1Å; F1898-A1901 PolarHBondContact O-N 3.38Å; F1898-Y1902 WeakPolarHBondContact O-CB 3.44Å; F1898-Y1902 PolarHBondContact O-N 2.67Å |
| 1899 | F | 80.1 | Confident | 76.8 | Confident | 52 Ų | 52 | 80.3 Ų | 80.3 | 23% | 0.228 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67 | -37.2 | 176.1 | -170.9 | -107.5 | 0 | 0 | 0 | 112.1 | V1864 L1892 T1895 S1896 Y1902 I1903 | V1864-F1899 HydrophobicContact CG1-CE2 4.18Å; V1864-F1899 HydrophobicContact CG1-CZ 3.8Å; L1892-F1899 HydrophobicContact CD2-CD1 4.33Å; L1892-F1899 HydrophobicContact CD2-CE1 4.31Å; T1895-F1899 HydrophobicContact CG2-CD1 4.07Å; T1895-F1899 HydrophobicContact CG2-CE1 4.27Å; S1896-F1899 WeakPolarHBondContact O-CA 3.38Å; S1896-F1899 WeakPolarHBondContact O-CB 3.49Å; S1896-F1899 PolarHBondContact O-N 3.43Å; F1899-Y1902 HydrophobicContact CD2-CD1 4.4Å; F1899-Y1902 PolarHBondContact O-N 2.94Å; F1899-I1903 HydrophobicContact CD1-CD1 3.82Å; F1899-I1903 HydrophobicContact CE1-CD1 3.43Å; F1899-I1903 VanDerWaalsContact CE1-CD1 3.43Å; F1899-I1903 HydrophobicContact CE1-CG1 4.49Å; F1899-I1903 HydrophobicContact CE2-CD1 4.49Å; F1899-I1903 HydrophobicContact CZ-CD1 3.82Å; F1899-I1903 WeakPolarHBondContact O-CG1 3.45Å; F1899-I1903 PolarHBondContact O-N 3.31Å |
| 1900 | Q | 78.7 | Confident | 77.6 | Confident | 43 Ų | 43 | 78.8 Ų | 78.8 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.8 | -53.7 | -174.6 | 17.4 | 0 | 0 | 112.2 | L1892 T1895 S1896 Q1897 K1904 | L1892-Q1900 HydrophobicContact CB-CG 4.16Å; L1892-Q1900 PolarHBondContact O-NE2 3.13Å; T1895-Q1900 PolarHBondContact O-NE2 3.29Å; S1896-Q1900 WeakPolarHBondContact O-CG 2.94Å; S1896-Q1900 PolarHBondContact O-N 2.72Å; S1896-Q1900 VanDerWaalsContact O-N 3.07Å; Q1897-Q1900 PolarHBondContact O-N 2.89Å; Q1900-K1904 WeakPolarHBondContact O-CG 3.41Å; Q1900-K1904 PolarHBondContact O-N 3.29Å; Q1900-K1904 VanDerWaalsContact O-N 3.12Å |
| 1901 | A | 76.3 | Confident | 78.2 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1897 F1898 I1903 K1904 Q1905 | Q1897-A1901 WeakPolarHBondContact O-CB 3.44Å; Q1897-A1901 PolarHBondContact O-N 3.19Å; F1898-A1901 PolarHBondContact O-N 3.38Å; A1901-I1903 PolarHBondContact O-N 3.21Å; A1901-K1904 PolarHBondContact O-N 2.84Å; A1901-Q1905 PolarHBondContact O-N 3.04Å |
| 1902 | Y | 82.3 | Confident | 78.6 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -53.8 | -50.2 | 174 | 170.6 | -106.3 | 0 | 0 | 0 | 111.7 | L1873 F1898 F1899 Q1905 A1906 | L1873-Y1902 HydrophobicContact CD1-CE1 4.06Å; L1873-Y1902 WeakPolarHBondContact CD1-OH 3.42Å; F1898-Y1902 WeakPolarHBondContact O-CB 3.44Å; F1898-Y1902 PolarHBondContact O-N 2.67Å; F1899-Y1902 HydrophobicContact CD2-CD1 4.4Å; F1899-Y1902 PolarHBondContact O-N 2.94Å; Y1902-Q1905 PolarHBondContact O-N 2.81Å; Y1902-A1906 VanDerWaalsContact O-CB 3.3Å; Y1902-A1906 WeakPolarHBondContact O-CB 3.22Å; Y1902-A1906 PolarHBondContact O-N 2.88Å |
| 1903 | I | 86.1 | Confident | 79 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 177 | -73.9 | 172.8 | 0 | 0 | 0 | 111.5 | F1861 V1864 L1873 L1876 L1892 F1899 A1901 Q1905 A1906 L1907 | F1861-I1903 HydrophobicContact CD1-CD1 4.49Å; F1861-I1903 HydrophobicContact CE1-CD1 4.16Å; V1864-I1903 HydrophobicContact CG1-CD1 4.1Å; V1864-I1903 HydrophobicContact CG1-CG1 4.2Å; L1873-I1903 HydrophobicContact CD2-CG1 4.15Å; L1876-I1903 HydrophobicContact CD2-CD1 4.49Å; L1876-I1903 HydrophobicContact CD2-CG2 3.7Å; L1892-I1903 HydrophobicContact CD1-CG2 4.47Å; L1892-I1903 HydrophobicContact CD2-CD1 3.76Å; F1899-I1903 HydrophobicContact CD1-CD1 3.82Å; F1899-I1903 HydrophobicContact CE1-CD1 3.43Å; F1899-I1903 VanDerWaalsContact CE1-CD1 3.43Å; F1899-I1903 HydrophobicContact CE1-CG1 4.49Å; F1899-I1903 HydrophobicContact CE2-CD1 4.49Å; F1899-I1903 HydrophobicContact CZ-CD1 3.82Å; F1899-I1903 WeakPolarHBondContact O-CG1 3.45Å; F1899-I1903 PolarHBondContact O-N 3.31Å; A1901-I1903 PolarHBondContact O-N 3.21Å; I1903-Q1905 VanDerWaalsContact C-N 3.27Å; I1903-Q1905 PolarHBondContact O-N 2.95Å; I1903-A1906 PolarHBondContact O-N 3.28Å; I1903-L1907 HydrophobicContact CG2-CD1 3.74Å; I1903-L1907 HydrophobicContact CG2-CG 4.23Å; I1903-L1907 WeakPolarHBondContact O-CB 3.3Å; I1903-L1907 VanDerWaalsContact O-CG 3.26Å; I1903-L1907 WeakPolarHBondContact O-CG 3.41Å; I1903-L1907 PolarHBondContact O-N 2.76Å |
| 1904 | K | 80 | Confident | 79.5 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 57% | 0.565 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.9 | -38.1 | 179 | -75.8 | 173.1 | -179.8 | 175 | 0 | 112.5 | Q1900 A1901 R1908 | Q1900-K1904 WeakPolarHBondContact O-CG 3.41Å; Q1900-K1904 PolarHBondContact O-N 3.29Å; Q1900-K1904 VanDerWaalsContact O-N 3.12Å; A1901-K1904 PolarHBondContact O-N 2.84Å; K1904-R1908 PolarHBondContact O-N 3.18Å |
| 1905 | Q | 80.1 | Confident | 79.5 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.8 | -38.3 | 178.7 | -168.8 | 63.3 | 7.5 | 0 | 0 | 112.4 | A1901 Y1902 I1903 R1908 N1909 | A1901-Q1905 PolarHBondContact O-N 3.04Å; Y1902-Q1905 PolarHBondContact O-N 2.81Å; I1903-Q1905 VanDerWaalsContact C-N 3.27Å; I1903-Q1905 PolarHBondContact O-N 2.95Å; Q1905-R1908 WeakPolarHBondContact O-CB 3.33Å; Q1905-R1908 PolarHBondContact O-N 2.72Å; Q1905-N1909 VanDerWaalsContact O-CG 3.29Å; Q1905-N1909 PolarHBondContact O-N 3.33Å; Q1905-N1909 PolarHBondContact O-OD1 3.33Å |
| 1906 | A | 85.1 | Confident | 79.2 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1873 Y1902 I1903 R1908 N1909 I1910 | L1873-A1906 HydrophobicContact CD1-CB 3.9Å; L1873-A1906 HydrophobicContact CD2-CB 3.93Å; L1873-A1906 HydrophobicContact CG-CB 4.42Å; Y1902-A1906 VanDerWaalsContact O-CB 3.3Å; Y1902-A1906 WeakPolarHBondContact O-CB 3.22Å; Y1902-A1906 PolarHBondContact O-N 2.88Å; I1903-A1906 PolarHBondContact O-N 3.28Å; A1906-R1908 VanDerWaalsContact C-N 3.31Å; A1906-R1908 PolarHBondContact O-N 3.41Å; A1906-N1909 PolarHBondContact O-N 3.3Å; A1906-N1909 VanDerWaalsContact O-N 3.12Å; A1906-I1910 WeakPolarHBondContact O-CG1 3.34Å; A1906-I1910 PolarHBondContact O-N 2.95Å |
| 1907 | L | 86.8 | Confident | 78.8 | Confident | 25 Ų | 25 | 80.7 Ų | 80.7 | 13% | 0.131 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 176.4 | -67.7 | 173.6 | 0 | 0 | 0 | 112 | L1876 Y1877 L1888 I1903 A1911 | L1876-L1907 HydrophobicContact CB-CD2 4.32Å; L1876-L1907 HydrophobicContact CD2-CD1 4.4Å; L1876-L1907 HydrophobicContact CD2-CD2 4.48Å; L1876-L1907 HydrophobicContact CG-CD2 4.28Å; Y1877-L1907 HydrophobicContact CD2-CB 4.41Å; Y1877-L1907 HydrophobicContact CD2-CD2 4.07Å; Y1877-L1907 HydrophobicContact CG-CD2 4.43Å; L1888-L1907 HydrophobicContact CD1-CD1 4.27Å; I1903-L1907 HydrophobicContact CG2-CD1 3.74Å; I1903-L1907 HydrophobicContact CG2-CG 4.23Å; I1903-L1907 WeakPolarHBondContact O-CB 3.3Å; I1903-L1907 VanDerWaalsContact O-CG 3.26Å; I1903-L1907 WeakPolarHBondContact O-CG 3.41Å; I1903-L1907 PolarHBondContact O-N 2.76Å; L1907-A1911 PolarHBondContact O-N 3.24Å |
| 1908 | R | 79.5 | Confident | 77.9 | Confident | 172 Ų | 172 | 75.6 Ų | 75.6 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 170.5 | -87.1 | -177.6 | 173.8 | 154.6 | -2.5 | 112.5 | K1904 Q1905 A1906 I1910 A1911 V1912 | K1904-R1908 PolarHBondContact O-N 3.18Å; Q1905-R1908 WeakPolarHBondContact O-CB 3.33Å; Q1905-R1908 PolarHBondContact O-N 2.72Å; A1906-R1908 VanDerWaalsContact C-N 3.31Å; A1906-R1908 PolarHBondContact O-N 3.41Å; R1908-I1910 VanDerWaalsContact C-N 3.33Å; R1908-I1910 PolarHBondContact O-N 3.29Å; R1908-A1911 WeakPolarHBondContact O-CB 3.43Å; R1908-A1911 PolarHBondContact O-N 2.86Å; R1908-V1912 WeakPolarHBondContact O-CG2 3.42Å; R1908-V1912 PolarHBondContact O-N 3.12Å |
| 1909 | N | 83.3 | Confident | 76.6 | Confident | 95 Ų | 95 | 78.5 Ų | 78.5 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | -179.3 | -67.8 | -8.9 | 0 | 0 | 0 | 111.3 | Q1905 A1906 V1912 E1913 | Q1905-N1909 VanDerWaalsContact O-CG 3.29Å; Q1905-N1909 PolarHBondContact O-N 3.33Å; Q1905-N1909 PolarHBondContact O-OD1 3.33Å; A1906-N1909 PolarHBondContact O-N 3.3Å; A1906-N1909 VanDerWaalsContact O-N 3.12Å; N1909-V1912 PolarHBondContact O-N 3.45Å; N1909-E1913 WeakPolarHBondContact O-CB 3.3Å; N1909-E1913 PolarHBondContact O-N 2.87Å |
| 1910 | I | 86.7 | Confident | 74.8 | Confident | 23 Ų | 23 | 81.1 Ų | 81.1 | 12% | 0.118 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.8 | -66.8 | 167.2 | 0 | 0 | 0 | 111.1 | L1873 Y1877 A1906 R1908 V1912 E1913 R1914 | L1873-I1910 HydrophobicContact CB-CD1 3.82Å; L1873-I1910 WeakPolarHBondContact O-CD1 3.12Å; Y1877-I1910 HydrophobicContact CD1-CG2 3.83Å; Y1877-I1910 HydrophobicContact CD2-CB 4.39Å; Y1877-I1910 HydrophobicContact CD2-CG2 4.13Å; Y1877-I1910 HydrophobicContact CE1-CG2 4.45Å; Y1877-I1910 HydrophobicContact CG-CB 4.35Å; Y1877-I1910 HydrophobicContact CG-CG2 3.64Å; A1906-I1910 WeakPolarHBondContact O-CG1 3.34Å; A1906-I1910 PolarHBondContact O-N 2.95Å; R1908-I1910 VanDerWaalsContact C-N 3.33Å; R1908-I1910 PolarHBondContact O-N 3.29Å; I1910-V1912 PolarHBondContact O-N 3Å; I1910-E1913 PolarHBondContact O-N 3.47Å; I1910-R1914 HydrophobicContact CG2-CG 4.37Å; I1910-R1914 WeakPolarHBondContact O-CB 3.35Å; I1910-R1914 WeakPolarHBondContact O-CG 3.48Å; I1910-R1914 PolarHBondContact O-N 2.84Å |
| 1911 | A | 79.2 | Confident | 73.2 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 26% | 0.256 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1877 L1907 R1908 A1915 | Y1877-A1911 HydrophobicContact CE2-CB 3.65Å; Y1877-A1911 WeakPolarHBondContact OH-CB 3.44Å; L1907-A1911 PolarHBondContact O-N 3.24Å; R1908-A1911 WeakPolarHBondContact O-CB 3.43Å; R1908-A1911 PolarHBondContact O-N 2.86Å; A1911-A1915 VanDerWaalsContact O-CB 3.26Å; A1911-A1915 WeakPolarHBondContact O-CB 3.18Å; A1911-A1915 PolarHBondContact O-N 3.26Å |
| 1912 | V | 80.3 | Confident | 71.5 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 62% | 0.618 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 179.2 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | R1908 N1909 I1910 A1915 R1916 | R1908-V1912 WeakPolarHBondContact O-CG2 3.42Å; R1908-V1912 PolarHBondContact O-N 3.12Å; N1909-V1912 PolarHBondContact O-N 3.45Å; I1910-V1912 PolarHBondContact O-N 3Å; V1912-A1915 PolarHBondContact O-N 3.07Å; V1912-R1916 WeakPolarHBondContact O-CB 3.47Å; V1912-R1916 PolarHBondContact O-N 3.38Å |
| 1913 | E | 78.3 | Confident | 69.2 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.5 | -39.8 | -178.2 | -179.7 | 55.8 | -162.2 | 0 | 0 | 112.3 | N1909 I1910 A1915 R1916 Q1917 | N1909-E1913 WeakPolarHBondContact O-CB 3.3Å; N1909-E1913 PolarHBondContact O-N 2.87Å; I1910-E1913 PolarHBondContact O-N 3.47Å; E1913-A1915 PolarHBondContact O-N 2.99Å; E1913-R1916 WeakPolarHBondContact O-CA 3.21Å; E1913-R1916 WeakPolarHBondContact O-CB 3.48Å; E1913-R1916 PolarHBondContact O-N 3.5Å; E1913-R1916 VanDerWaalsContact O-N 3.11Å; E1913-R1916 IonicContact OE1-CZ 3.71Å; E1913-R1916 IonicContact OE1-NE 2.72Å; E1913-R1916 IonicContact OE1-NH2 3.32Å; E1913-R1916 PolarHBondContact OE1-NH2 3.3Å; E1913-R1916 IonicContact OE2-CZ 2.67Å; E1913-R1916 IonicContact OE2-NE 3.24Å; E1913-R1916 PolarHBondContact OE2-NE 3Å; E1913-R1916 IonicContact OE2-NH2 3.57Å; E1913-R1916 PolarHBondContact OE2-NH2 3.2Å; E1913-Q1917 HydrophobicContact CG-CG 4.5Å; E1913-Q1917 WeakPolarHBondContact O-CG 3.5Å; E1913-Q1917 PolarHBondContact O-N 3.12Å; E1913-Q1917 WeakPolarHBondContact OE1-CG 3.5Å; E1913-Q1917 PolarHBondContact OE1-NE2 3.02Å |
| 1914 | R | 79.1 | Confident | 66.5 | Low | 80 Ų | 80 | 95.7 Ų | 95.7 | 30% | 0.302 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 173.1 | -70.5 | -164.2 | -175 | -173 | 12.4 | 112.2 | N1874 D1878 I1910 R1916 Q1917 A1918 | N1874-R1914 PolarHBondContact OD1-NH2 3.33Å; D1878-R1914 VanDerWaalsContact CG-NH1 3.33Å; D1878-R1914 IonicContact OD1-CZ 2.63Å; D1878-R1914 IonicContact OD1-NH1 3.26Å; D1878-R1914 PolarHBondContact OD1-NH1 3.4Å; D1878-R1914 IonicContact OD1-NH2 2.81Å; D1878-R1914 IonicContact OD2-CZ 2.99Å; D1878-R1914 IonicContact OD2-NH1 3.46Å; D1878-R1914 PolarHBondContact OD2-NH1 3.4Å; D1878-R1914 IonicContact OD2-NH2 2.62Å; D1878-R1914 PolarHBondContact OD2-NH2 2.88Å; I1910-R1914 HydrophobicContact CG2-CG 4.37Å; I1910-R1914 WeakPolarHBondContact O-CB 3.35Å; I1910-R1914 WeakPolarHBondContact O-CG 3.48Å; I1910-R1914 PolarHBondContact O-N 2.84Å; R1914-R1916 PolarHBondContact O-N 3.41Å; R1914-Q1917 PolarHBondContact O-N 3.43Å; R1914-A1918 WeakPolarHBondContact O-CB 3.43Å; R1914-A1918 PolarHBondContact O-N 3.09Å |
| 1915 | A | 68.7 | Low | 64.1 | Low | 54 Ų | 54 | 99.5 Ų | 99.5 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -27.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1911 V1912 E1913 R1919 | A1911-A1915 VanDerWaalsContact O-CB 3.26Å; A1911-A1915 WeakPolarHBondContact O-CB 3.18Å; A1911-A1915 PolarHBondContact O-N 3.26Å; V1912-A1915 PolarHBondContact O-N 3.07Å; E1913-A1915 PolarHBondContact O-N 2.99Å; A1915-R1919 WeakPolarHBondContact O-CG 3.42Å |
| 1916 | R | 68.9 | Low | 61.6 | Low | 132 Ų | 132 | 103.9 Ų | 103.9 | 50% | 0.498 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.9 | -43.6 | 172.8 | -163 | -178.5 | 70.9 | 88.1 | 7 | 111.8 | V1912 E1913 R1914 R1919 L1920 | V1912-R1916 WeakPolarHBondContact O-CB 3.47Å; V1912-R1916 PolarHBondContact O-N 3.38Å; E1913-R1916 WeakPolarHBondContact O-CA 3.21Å; E1913-R1916 WeakPolarHBondContact O-CB 3.48Å; E1913-R1916 PolarHBondContact O-N 3.5Å; E1913-R1916 VanDerWaalsContact O-N 3.11Å; E1913-R1916 IonicContact OE1-CZ 3.71Å; E1913-R1916 IonicContact OE1-NE 2.72Å; E1913-R1916 IonicContact OE1-NH2 3.32Å; E1913-R1916 PolarHBondContact OE1-NH2 3.3Å; E1913-R1916 IonicContact OE2-CZ 2.67Å; E1913-R1916 IonicContact OE2-NE 3.24Å; E1913-R1916 PolarHBondContact OE2-NE 3Å; E1913-R1916 IonicContact OE2-NH2 3.57Å; E1913-R1916 PolarHBondContact OE2-NH2 3.2Å; R1914-R1916 PolarHBondContact O-N 3.41Å; R1916-R1919 PolarHBondContact O-N 3.02Å; R1916-L1920 HydrophobicContact CG-CD1 4.44Å; R1916-L1920 WeakPolarHBondContact O-CG 3.5Å; R1916-L1920 PolarHBondContact O-N 2.72Å |
| 1917 | Q | 67.2 | Low | 59.8 | Low | 102 Ų | 102 | 108.7 Ų | 108.7 | 48% | 0.477 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -42 | 179 | -70.7 | 176 | 9.8 | 0 | 0 | 112.3 | E1913 R1914 R1919 L1920 S1921 | E1913-Q1917 HydrophobicContact CG-CG 4.5Å; E1913-Q1917 WeakPolarHBondContact O-CG 3.5Å; E1913-Q1917 PolarHBondContact O-N 3.12Å; E1913-Q1917 WeakPolarHBondContact OE1-CG 3.5Å; E1913-Q1917 PolarHBondContact OE1-NE2 3.02Å; R1914-Q1917 PolarHBondContact O-N 3.43Å; Q1917-R1919 PolarHBondContact O-N 2.97Å; Q1917-R1919 VanDerWaalsContact O-N 3.14Å; Q1917-L1920 PolarHBondContact O-N 3.06Å; Q1917-S1921 PolarHBondContact O-N 2.86Å; Q1917-S1921 PolarHBondContact O-OG 3.13Å |
| 1918 | A | 55 | Low | 56.9 | Low | 64 Ų | 64 | 114.8 Ų | 114.8 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.8 | -20.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1914 | R1914-A1918 WeakPolarHBondContact O-CB 3.43Å; R1914-A1918 PolarHBondContact O-N 3.09Å |
| 1919 | R | 47.9 | Very low | 54.3 | Low | 215 Ų | 215 | 111.9 Ų | 111.9 | 81% | 0.811 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -86.8 | -16.3 | 172.2 | -70.5 | 175.4 | 177.8 | -163.8 | -0.7 | 113.7 | A1915 R1916 Q1917 | A1915-R1919 WeakPolarHBondContact O-CG 3.42Å; R1916-R1919 PolarHBondContact O-N 3.02Å; Q1917-R1919 PolarHBondContact O-N 2.97Å; Q1917-R1919 VanDerWaalsContact O-N 3.14Å |
| 1920 | L | 42.1 | Very low | 51.4 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -97.5 | -31.9 | -178.1 | -69.6 | 168 | 0 | 0 | 0 | 112.2 | R1916 Q1917 V1922 | R1916-L1920 HydrophobicContact CG-CD1 4.44Å; R1916-L1920 WeakPolarHBondContact O-CG 3.5Å; R1916-L1920 PolarHBondContact O-N 2.72Å; Q1917-L1920 PolarHBondContact O-N 3.06Å; L1920-V1922 PolarHBondContact O-N 2.69Å; L1920-V1922 VanDerWaalsContact O-N 3.11Å |
| 1921 | S | 45.1 | Very low | 48.3 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 17.9 | -175.4 | 66.8 | 0 | 0 | 0 | 0 | 115.6 | Q1917 | Q1917-S1921 PolarHBondContact O-N 2.86Å; Q1917-S1921 PolarHBondContact O-OG 3.13Å |
| 1922 | V | 40.4 | Very low | 45.6 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -22.8 | -175.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | L1920 | L1920-V1922 PolarHBondContact O-N 2.69Å; L1920-V1922 VanDerWaalsContact O-N 3.11Å |
| 1923 | N | 32.9 | Very low | 43 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -95.9 | 90.6 | 170.7 | -76.2 | 10.7 | 0 | 0 | 0 | 110 | ||
| 1924 | D | 30.6 | Very low | 40.5 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | trans | 162.1 | 93.1 | 137.7 | -86.1 | -11 | 0 | 0 | 0 | 111.8 | ||||
| 1925 | K | 29.7 | Very low | 38 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -175.4 | 142.2 | 135.3 | -101 | 147.4 | -167.8 | 168.3 | 0 | 113 | ||||
| 1926 | E | 27.1 | Very low | 35.9 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -73.6 | 159.7 | 178 | -77.6 | -174.2 | 122.4 | 0 | 0 | 113.1 | ||||
| 1927 | P | 46.1 | Very low | 33.9 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -90 | 153.3 | -161.1 | 34.9 | -36.3 | 0 | 0 | 0 | 114.2 | ||||
| 1928 | N | 26.1 | Very low | 32 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -147.3 | 124 | 150.6 | -107.4 | -46.6 | 0 | 0 | 0 | 112.4 | ||||
| 1929 | T | 25.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | 40.6 | 111.9 | 155.1 | 57.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1930 | L | 22.2 | Very low | 29.6 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | 50 | 122.3 | 128.2 | -55.6 | 168.6 | 0 | 0 | 0 | 117.8 | |||||
| 1931 | A | 22.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | cis | -163.2 | 166.1 | 34.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1932 | A | 23.3 | Very low | 28.1 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 51.9 | 99.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1933 | H | 24 | Very low | 27.4 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -144.2 | 173.4 | 131.9 | -114.5 | -80.1 | 0 | 0 | 0 | 110.9 | ||||
| 1934 | Q | 26 | Very low | 26.8 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | trans | -101.1 | 157 | -159.8 | -67.1 | 175.9 | -21.9 | 0 | 0 | 114.3 | ||||
| 1935 | T | 27.3 | Very low | 26.5 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | 51.1 | 108.8 | 151.8 | 52 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1936 | D | 24.1 | Very low | 26.2 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | -146.7 | 159.7 | 121.9 | -144.7 | -27.4 | 0 | 0 | 0 | 110.2 | |||||
| 1937 | G | 27.3 | Very low | 25.9 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 172.5 | 63.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1938 | V | 28 | Very low | 24.9 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 129.3 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1939 | L | 25.4 | Very low | 24.8 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 159 | -172.4 | -73.2 | 170.7 | 0 | 0 | 0 | 114.5 | ||
| 1940 | A | 26.3 | Very low | 24.8 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71 | 161.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1941 | R | 24.2 | Very low | 24.9 | Very low | 240 Ų | 240 | 142.4 Ų | 142.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -113.9 | 147.4 | 156.7 | -87.2 | -174.2 | 170 | -175 | -1.9 | 110.5 | ||||
| 1942 | P | 31.9 | Very low | 25.2 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -91.7 | 155.3 | -162 | 35.1 | -36.9 | 0 | 0 | 0 | 115.9 | ||||
| 1943 | N | 24.6 | Very low | 25.4 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | -54.3 | 132.7 | 171.3 | 169 | 29.4 | 0 | 0 | 0 | 114.5 | N1945 | N1943-N1945 PolarHBondContact OD1-N 3.36Å; N1943-N1945 VanDerWaalsContact OD1-N 3.09Å | ||
| 1944 | W | 21.5 | Very low | 25.8 | Very low | 241 Ų | 241 | 147.6 Ų | 147.6 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -148.9 | 98.9 | 138.6 | -90.5 | 88.4 | 0 | 0 | 0 | 109.5 | ||||
| 1945 | N | 24.1 | Very low | 25.8 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | 170.1 | 103.8 | 132.8 | -89 | 3.3 | 0 | 0 | 0 | 109.1 | N1943 | N1943-N1945 PolarHBondContact OD1-N 3.36Å; N1943-N1945 VanDerWaalsContact OD1-N 3.09Å | ||
| 1946 | S | 23.2 | Very low | 26 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | trans | -82.5 | 166.2 | 162.2 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1947 | D | 21.3 | Very low | 26.5 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 67.6 | 74.7 | 164.4 | -44.8 | -40.2 | 0 | 0 | 0 | 116.2 | ||||
| 1948 | F | 24.7 | Very low | 26.9 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | S | Bend | -142.1 | 119.6 | 119.1 | -119.6 | -75.9 | 0 | 0 | 0 | 112.4 | |||
| 1949 | D | 24.6 | Very low | 27.7 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 37.5 | 111.2 | 167 | -62.6 | -26.1 | 0 | 0 | 0 | 121.3 | ||||
| 1950 | A | 24.3 | Very low | 28.8 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -75.8 | 118.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1951 | N | 25.4 | Very low | 29.8 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -176.6 | 94.9 | 137.3 | -96.2 | -41.4 | 0 | 0 | 0 | 112.2 | ||||
| 1952 | I | 28.7 | Very low | 31.6 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 89% | 0.892 | 74% | 0.735 | S | S | * | * | trans | -165.9 | 76.4 | 142.1 | -93.2 | 145.2 | 0 | 0 | 0 | 105.8 | ||||
| 1953 | I | 27.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -97.5 | 102.2 | 166.8 | -62.1 | 176.1 | 0 | 0 | 0 | 106.9 | ||||
| 1954 | N | 32.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -169.7 | 97.1 | 150.6 | -98.6 | -31.6 | 0 | 0 | 0 | 108.8 | Q1956 | N1954-Q1956 PolarHBondContact O-N 2.97Š| ||
| 1955 | G | 25.6 | Very low | 36.5 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -82.1 | 109.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1956 | Q | 30.2 | Very low | 38.3 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | trans | -128.2 | 136.5 | 141 | -77.6 | -162.7 | -20.9 | 0 | 0 | 109.3 | N1954 T1958 | N1954-Q1956 PolarHBondContact O-N 2.97Å; Q1956-T1958 PolarHBondContact O-N 3.17Å; Q1956-T1958 VanDerWaalsContact O-N 3.15Å | ||
| 1957 | P | 36 | Very low | 39.9 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | trans | -75.9 | 105.8 | -173.2 | 29.7 | -34 | 0 | 0 | 0 | 110.8 | D1959 | P1957-D1959 PolarHBondContact O-N 3.02Š| ||
| 1958 | T | 35.2 | Very low | 41.9 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 58% | 0.577 | 67% | 0.671 | S | S | * | * | trans | -63.1 | 116.4 | 171.6 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | Q1956 | Q1956-T1958 PolarHBondContact O-N 3.17Å; Q1956-T1958 VanDerWaalsContact O-N 3.15Å | ||
| 1959 | D | 45.5 | Very low | 44 | Very low | 81 Ų | 81 | 117 Ų | 117 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | trans | -42.2 | 131.7 | 176.5 | 179.8 | -19 | 0 | 0 | 0 | 111.1 | P1957 K1961 V1962 | P1957-D1959 PolarHBondContact O-N 3.02Å; D1959-K1961 PolarHBondContact O-N 3.49Å; D1959-K1961 WeakPolarHBondContact OD1-CB 3.43Å; D1959-K1961 WeakPolarHBondContact OD1-CG 3.22Å; D1959-K1961 PolarHBondContact OD1-N 2.83Å; D1959-K1961 WeakPolarHBondContact OD2-CD 3.32Å; D1959-V1962 WeakPolarHBondContact O-CB 3.29Å; D1959-V1962 WeakPolarHBondContact O-CG2 3.22Å; D1959-V1962 PolarHBondContact O-N 3.48Å | ||
| 1960 | P | 47.4 | Very low | 45.6 | Very low | 93 Ų | 93 | 114.1 Ų | 114.1 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -49.2 | -20.7 | 172.4 | -30.6 | 37.2 | 0 | 0 | 0 | 115.7 | V1962 F1963 M1964 | P1960-V1962 PolarHBondContact O-N 2.82Å; P1960-F1963 PolarHBondContact O-N 2.8Å; P1960-M1964 PolarHBondContact O-N 3.43Å |
| 1961 | K | 48.2 | Very low | 47.3 | Very low | 141 Ų | 141 | 117 Ų | 117 | 61% | 0.613 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.4 | -31 | 166.1 | -73.1 | 179.6 | -171.4 | 159.3 | 0 | 113.4 | D1959 M1964 N1965 | D1959-K1961 PolarHBondContact O-N 3.49Å; D1959-K1961 WeakPolarHBondContact OD1-CB 3.43Å; D1959-K1961 WeakPolarHBondContact OD1-CG 3.22Å; D1959-K1961 PolarHBondContact OD1-N 2.83Å; D1959-K1961 WeakPolarHBondContact OD2-CD 3.32Å; K1961-M1964 PolarHBondContact O-N 2.76Å; K1961-N1965 WeakPolarHBondContact O-CB 3.15Å; K1961-N1965 PolarHBondContact O-N 3.31Å; K1961-N1965 PolarHBondContact O-ND2 3.27Å |
| 1962 | V | 62.3 | Low | 49.1 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 47% | 0.473 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -43.2 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | D1959 P1960 R1966 | D1959-V1962 WeakPolarHBondContact O-CB 3.29Å; D1959-V1962 WeakPolarHBondContact O-CG2 3.22Å; D1959-V1962 PolarHBondContact O-N 3.48Å; P1960-V1962 PolarHBondContact O-N 2.82Å; V1962-R1966 VanDerWaalsContact O-CB 3.29Å; V1962-R1966 WeakPolarHBondContact O-CB 3.28Å; V1962-R1966 PolarHBondContact O-N 3.44Å |
| 1963 | F | 50 | Low | 50.7 | Low | 142 Ų | 142 | 117.1 Ų | 117.1 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.7 | -41.8 | 175.1 | -73.2 | -84 | 0 | 0 | 0 | 112.4 | P1960 R1966 L1967 | P1960-F1963 PolarHBondContact O-N 2.8Å; F1963-R1966 PolarHBondContact O-N 2.84Å; F1963-L1967 WeakPolarHBondContact O-CB 3.27Å; F1963-L1967 PolarHBondContact O-N 3.08Å |
| 1964 | M | 58.6 | Low | 51.7 | Low | 127 Ų | 127 | 115.9 Ų | 115.9 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -38.8 | 175.6 | -68.7 | -62.4 | -70.2 | 0 | 0 | 112 | P1960 K1961 L1967 A1968 | P1960-M1964 PolarHBondContact O-N 3.43Å; K1961-M1964 PolarHBondContact O-N 2.76Å; M1964-L1967 PolarHBondContact O-N 2.89Å; M1964-A1968 VanDerWaalsContact O-CB 3.28Å; M1964-A1968 WeakPolarHBondContact O-CB 3.34Å; M1964-A1968 PolarHBondContact O-N 3.42Å |
| 1965 | N | 72 | Confident | 51.9 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 57% | 0.572 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | 172.3 | -76.3 | -16.5 | 0 | 0 | 0 | 111.4 | K1961 L1967 A1968 V1969 | K1961-N1965 WeakPolarHBondContact O-CB 3.15Å; K1961-N1965 PolarHBondContact O-N 3.31Å; K1961-N1965 PolarHBondContact O-ND2 3.27Å; N1965-L1967 VanDerWaalsContact C-N 3.32Å; N1965-L1967 PolarHBondContact O-N 3.1Å; N1965-A1968 PolarHBondContact O-N 2.78Å; N1965-V1969 VanDerWaalsContact O-CB 3.27Å; N1965-V1969 WeakPolarHBondContact O-CB 3.25Å; N1965-V1969 VanDerWaalsContact O-CG2 3.22Å; N1965-V1969 WeakPolarHBondContact O-CG2 3.33Å; N1965-V1969 PolarHBondContact O-N 3.49Å |
| 1966 | R | 60.8 | Low | 52.7 | Low | 175 Ų | 175 | 114.1 Ų | 114.1 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.7 | -39.3 | 174.2 | -159.6 | 77.4 | -175.9 | -146.2 | 4.5 | 111 | V1962 F1963 V1969 L1970 | V1962-R1966 VanDerWaalsContact O-CB 3.29Å; V1962-R1966 WeakPolarHBondContact O-CB 3.28Å; V1962-R1966 PolarHBondContact O-N 3.44Å; F1963-R1966 PolarHBondContact O-N 2.84Å; R1966-V1969 PolarHBondContact O-N 3.32Å; R1966-L1970 HydrophobicContact CG-CD1 4.4Å; R1966-L1970 WeakPolarHBondContact O-CB 3.29Å; R1966-L1970 VanDerWaalsContact O-CG 3.22Å; R1966-L1970 WeakPolarHBondContact O-CG 3.36Å; R1966-L1970 PolarHBondContact O-N 3.13Å |
| 1967 | L | 57.1 | Low | 52.8 | Low | 81 Ų | 81 | 109.1 Ų | 109.1 | 42% | 0.424 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -36.5 | 175.5 | -167.4 | 69.7 | 0 | 0 | 0 | 112.1 | F1963 M1964 N1965 R1971 | F1963-L1967 WeakPolarHBondContact O-CB 3.27Å; F1963-L1967 PolarHBondContact O-N 3.08Å; M1964-L1967 PolarHBondContact O-N 2.89Å; N1965-L1967 VanDerWaalsContact C-N 3.32Å; N1965-L1967 PolarHBondContact O-N 3.1Å; L1967-R1971 WeakPolarHBondContact O-CB 3.33Å; L1967-R1971 VanDerWaalsContact O-CG 3.25Å; L1967-R1971 WeakPolarHBondContact O-CG 3.47Å; L1967-R1971 PolarHBondContact O-N 2.88Å |
| 1968 | A | 63.9 | Low | 52.6 | Low | 43 Ų | 43 | 105.9 Ų | 105.9 | 36% | 0.355 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.2 | -35.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1964 N1965 R1972 | M1964-A1968 VanDerWaalsContact O-CB 3.28Å; M1964-A1968 WeakPolarHBondContact O-CB 3.34Å; M1964-A1968 PolarHBondContact O-N 3.42Å; N1965-A1968 PolarHBondContact O-N 2.78Å; A1968-R1972 WeakPolarHBondContact O-CB 3.48Å; A1968-R1972 PolarHBondContact O-N 2.77Å |
| 1969 | V | 69.1 | Low | 52.3 | Low | 50 Ų | 50 | 108.8 Ų | 108.8 | 30% | 0.303 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67 | -50.1 | 171.6 | 165.3 | 0 | 0 | 0 | 0 | 109.9 | N1965 R1966 R1971 R1972 E1973 | N1965-V1969 VanDerWaalsContact O-CB 3.27Å; N1965-V1969 WeakPolarHBondContact O-CB 3.25Å; N1965-V1969 VanDerWaalsContact O-CG2 3.22Å; N1965-V1969 WeakPolarHBondContact O-CG2 3.33Å; N1965-V1969 PolarHBondContact O-N 3.49Å; R1966-V1969 PolarHBondContact O-N 3.32Å; V1969-R1971 VanDerWaalsContact C-N 3.3Å; V1969-R1971 PolarHBondContact O-N 3.5Å; V1969-R1972 CarbonylContact O-C 3.57Å; V1969-R1972 WeakPolarHBondContact O-CA 3.47Å; V1969-R1972 WeakPolarHBondContact O-CB 3.4Å; V1969-R1972 PolarHBondContact O-N 3.42Å; V1969-E1973 VanDerWaalsContact CG1-CD 3.44Å; V1969-E1973 HydrophobicContact CG1-CG 4.13Å; V1969-E1973 VanDerWaalsContact CG1-OE1 3.29Å; V1969-E1973 WeakPolarHBondContact CG1-OE1 3.41Å; V1969-E1973 WeakPolarHBondContact O-CB 3.19Å; V1969-E1973 WeakPolarHBondContact O-CG 3.2Å; V1969-E1973 PolarHBondContact O-N 3Å |
| 1970 | L | 58.7 | Low | 51.5 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 41% | 0.408 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -57.6 | -40.7 | 174.1 | -75.1 | 166.1 | 0 | 0 | 0 | 112 | R1966 R1972 E1973 L1974 | R1966-L1970 HydrophobicContact CG-CD1 4.4Å; R1966-L1970 WeakPolarHBondContact O-CB 3.29Å; R1966-L1970 VanDerWaalsContact O-CG 3.22Å; R1966-L1970 WeakPolarHBondContact O-CG 3.36Å; R1966-L1970 PolarHBondContact O-N 3.13Å; L1970-R1972 VanDerWaalsContact C-N 3.29Å; L1970-R1972 PolarHBondContact O-N 2.92Å; L1970-E1973 PolarHBondContact O-N 3.31Å; L1970-L1974 WeakPolarHBondContact O-CB 3.41Å; L1970-L1974 WeakPolarHBondContact O-CG 3.34Å; L1970-L1974 PolarHBondContact O-N 2.9Å |
| 1971 | R | 58.2 | Low | 50.7 | Low | 150 Ų | 150 | 111.8 Ų | 111.8 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.5 | -28.8 | 173.3 | -78.1 | 173.8 | 174.4 | -170.4 | -3.4 | 113.4 | L1967 V1969 G1975 L1976 | L1967-R1971 WeakPolarHBondContact O-CB 3.33Å; L1967-R1971 VanDerWaalsContact O-CG 3.25Å; L1967-R1971 WeakPolarHBondContact O-CG 3.47Å; L1967-R1971 PolarHBondContact O-N 2.88Å; V1969-R1971 VanDerWaalsContact C-N 3.3Å; V1969-R1971 PolarHBondContact O-N 3.5Å; R1971-G1975 PolarHBondContact O-N 3.02Å; R1971-L1976 CarbonylContact O-C 3.43Å; R1971-L1976 PolarHBondContact O-N 3.27Å |
| 1972 | R | 64.9 | Low | 49.7 | Very low | 186 Ų | 186 | 110.9 Ų | 110.9 | 70% | 0.702 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -81.1 | -40 | 176.6 | -170.8 | -178.4 | -66.9 | 151.4 | -1.6 | 111.9 | A1968 V1969 L1970 L1974 G1975 | A1968-R1972 WeakPolarHBondContact O-CB 3.48Å; A1968-R1972 PolarHBondContact O-N 2.77Å; V1969-R1972 CarbonylContact O-C 3.57Å; V1969-R1972 WeakPolarHBondContact O-CA 3.47Å; V1969-R1972 WeakPolarHBondContact O-CB 3.4Å; V1969-R1972 PolarHBondContact O-N 3.42Å; L1970-R1972 VanDerWaalsContact C-N 3.29Å; L1970-R1972 PolarHBondContact O-N 2.92Å; R1972-L1974 VanDerWaalsContact C-N 3.33Å; R1972-G1975 PolarHBondContact O-N 2.9Å |
| 1973 | E | 62.3 | Low | 48 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.8 | -35.3 | 173.5 | -70.2 | 169.2 | 162 | 0 | 0 | 111.4 | V1969 L1970 G1975 | V1969-E1973 VanDerWaalsContact CG1-CD 3.44Å; V1969-E1973 HydrophobicContact CG1-CG 4.13Å; V1969-E1973 VanDerWaalsContact CG1-OE1 3.29Å; V1969-E1973 WeakPolarHBondContact CG1-OE1 3.41Å; V1969-E1973 WeakPolarHBondContact O-CB 3.19Å; V1969-E1973 WeakPolarHBondContact O-CG 3.2Å; V1969-E1973 PolarHBondContact O-N 3Å; L1970-E1973 PolarHBondContact O-N 3.31Å; E1973-G1975 VanDerWaalsContact C-N 3.31Å |
| 1974 | L | 47.9 | Very low | 46.9 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 11.1 | 173 | -62.5 | 170.2 | 0 | 0 | 0 | 113.6 | L1970 R1972 L1976 | L1970-L1974 WeakPolarHBondContact O-CB 3.41Å; L1970-L1974 WeakPolarHBondContact O-CG 3.34Å; L1970-L1974 PolarHBondContact O-N 2.9Å; R1972-L1974 VanDerWaalsContact C-N 3.33Å; L1974-L1976 PolarHBondContact O-N 3.42Å |
| 1975 | G | 36.1 | Very low | 45.2 | Very low | 66 Ų | 66 | 117 Ų | 117 | 68% | 0.68 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70 | -4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | R1971 R1972 E1973 G1977 | R1971-G1975 PolarHBondContact O-N 3.02Å; R1972-G1975 PolarHBondContact O-N 2.9Å; E1973-G1975 VanDerWaalsContact C-N 3.31Å; G1975-G1977 PolarHBondContact O-N 3.07Å |
| 1976 | L | 42.6 | Very low | 43 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | trans | -80 | 36.1 | -177.5 | -66.1 | 165 | 0 | 0 | 0 | 113 | R1971 L1974 | R1971-L1976 CarbonylContact O-C 3.43Å; R1971-L1976 PolarHBondContact O-N 3.27Å; L1974-L1976 PolarHBondContact O-N 3.42Å | ||
| 1977 | G | 32.9 | Very low | 41.2 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -102.2 | 44.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1975 | G1975-G1977 PolarHBondContact O-N 3.07Š| ||
| 1978 | G | 29.8 | Very low | 39.8 | Very low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | trans | -141.3 | 141.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1979 | V | 29.3 | Very low | 37.8 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 93% | 0.933 | 70% | 0.695 | S | S | * | * | trans | 59.2 | 91.4 | 177.3 | -166.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1980 | S | 28.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -86.9 | 144.2 | 162.8 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1981 | T | 31.4 | Very low | 34 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -73.5 | 128.2 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1982 | T | 27.6 | Very low | 32.4 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -172.2 | 160 | 153 | 18.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1983 | N | 25 | Very low | 30.4 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | 71.3 | 116.7 | -178.8 | -52.9 | 10.2 | 0 | 0 | 0 | 112.1 | ||||
| 1984 | M | 27.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | cis | 58.1 | 98.6 | 21.2 | -85.4 | -176.7 | 165.7 | 0 | 0 | 114.1 | ||||
| 1985 | D | 23.6 | Very low | 27.6 | Very low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -165.1 | 146.1 | 119.5 | -88.5 | -25.3 | 0 | 0 | 0 | 111.9 | |||||
| 1986 | D | 25.6 | Very low | 27.1 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 42.2 | 142.2 | 158.3 | -73.9 | -12.5 | 0 | 0 | 0 | 127.4 | ||||
| 1987 | N | 23.4 | Very low | 26.2 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 68.8 | 105.9 | 147.8 | -85.9 | -37.2 | 0 | 0 | 0 | 123.8 | ||||
| 1988 | I | 25.9 | Very low | 25.9 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 34.6 | 103.2 | 129.6 | -47.3 | 174.4 | 0 | 0 | 0 | 118.4 | |||||
| 1989 | G | 23.2 | Very low | 26.1 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | 122 | 123.4 | 127.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1990 | S | 25.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 71.4 | 158.5 | 154.5 | 65.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1991 | S | 22.2 | Very low | 26.2 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 55.4 | 109.5 | 172.4 | 60.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1992 | D | 23.7 | Very low | 26.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | 59.9 | 142.5 | 119.9 | -54.4 | -38.9 | 0 | 0 | 0 | 124 | |||||
| 1993 | E | 23.6 | Very low | 26.7 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | 67.5 | 115.7 | 156 | -68.6 | -168.2 | 155.2 | 0 | 0 | 123.6 | ||||
| 1994 | A | 25.5 | Very low | 27.2 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | 77.9 | 135.6 | 128.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1995 | G | 25.9 | Very low | 27.4 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | 90.5 | 148.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1996 | I | 25.8 | Very low | 27.9 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | cis | -142.8 | 131.6 | 1.4 | -61.5 | 174.4 | 0 | 0 | 0 | 109.3 | ||||
| 1997 | Q | 24.6 | Very low | 28.3 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -137.7 | 103.5 | 152 | -83.2 | -160.5 | -5.2 | 0 | 0 | 111.5 | T1999 | Q1997-T1999 PolarHBondContact O-N 2.8Š|
| 1998 | N | 24.9 | Very low | 28.6 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | 46.2 | 58.7 | 148 | -59.3 | -10.1 | 0 | 0 | 0 | 118.4 | A2000 | N1998-A2000 PolarHBondContact O-N 3.03Š| ||
| 1999 | T | 34.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 125 Ų | 125 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 46 | 164.6 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | Q1997 T2003 | Q1997-T1999 PolarHBondContact O-N 2.8Å; T1999-T2003 PolarHBondContact O-OG1 3.37Å; T1999-T2003 VanDerWaalsContact O-OG1 3.08Å |
| 2000 | A | 32.6 | Very low | 28.8 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 55% | 0.554 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -34.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1998 T2004 | N1998-A2000 PolarHBondContact O-N 3.03Å; A2000-T2004 PolarHBondContact O-N 3.18Å; A2000-T2004 PolarHBondContact O-OG1 3.22Å |
| 2001 | F | 28.2 | Very low | 29 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -79.1 | -32.6 | 179.5 | -165 | -107.5 | 0 | 0 | 0 | 112.8 | T2003 T2004 L2005 | F2001-T2003 VanDerWaalsContact C-N 3.29Å; F2001-T2003 PolarHBondContact O-N 2.92Å; F2001-T2004 PolarHBondContact O-N 2.81Å; F2001-L2005 HydrophobicContact CD1-CD1 3.96Å; F2001-L2005 HydrophobicContact CE1-CD1 3.64Å; F2001-L2005 HydrophobicContact CE1-CG 4.38Å; F2001-L2005 HydrophobicContact CZ-CD1 4.45Å; F2001-L2005 PolarHBondContact O-N 3.08Å |
| 2002 | E | 33.4 | Very low | 29.4 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -60.5 | -39 | 171.8 | -72.9 | -174.1 | 122.5 | 0 | 0 | 112 | T2004 L2005 R2006 | E2002-T2004 VanDerWaalsContact C-N 3.34Å; E2002-T2004 PolarHBondContact O-N 3.22Å; E2002-L2005 PolarHBondContact O-N 2.95Å; E2002-R2006 PolarHBondContact O-N 2.92Å |
| 2003 | T | 36.4 | Very low | 29.6 | Very low | 85 Ų | 85 | 127 Ų | 127 | 52% | 0.521 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -67.4 | -34.4 | 178.4 | -39.1 | 0 | 0 | 0 | 0 | 111.9 | T1999 F2001 | T1999-T2003 PolarHBondContact O-OG1 3.37Å; T1999-T2003 VanDerWaalsContact O-OG1 3.08Å; F2001-T2003 VanDerWaalsContact C-N 3.29Å; F2001-T2003 PolarHBondContact O-N 2.92Å |
| 2004 | T | 34.1 | Very low | 29.9 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -69.3 | -36.9 | 172.8 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | A2000 F2001 E2002 | A2000-T2004 PolarHBondContact O-N 3.18Å; A2000-T2004 PolarHBondContact O-OG1 3.22Å; F2001-T2004 PolarHBondContact O-N 2.81Å; E2002-T2004 VanDerWaalsContact C-N 3.34Å; E2002-T2004 PolarHBondContact O-N 3.22Å |
| 2005 | L | 32.7 | Very low | 30 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 60% | 0.602 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -71.4 | -33.8 | 175.7 | -92.8 | 164.3 | 0 | 0 | 0 | 113.4 | F2001 E2002 N2007 | F2001-L2005 HydrophobicContact CD1-CD1 3.96Å; F2001-L2005 HydrophobicContact CE1-CD1 3.64Å; F2001-L2005 HydrophobicContact CE1-CG 4.38Å; F2001-L2005 HydrophobicContact CZ-CD1 4.45Å; F2001-L2005 PolarHBondContact O-N 3.08Å; E2002-L2005 PolarHBondContact O-N 2.95Å; L2005-N2007 PolarHBondContact O-N 3.23Å |
| 2006 | R | 34.5 | Very low | 30.3 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -12.4 | -180 | -103.2 | -176.3 | 170.4 | 164.3 | -0 | 115.4 | E2002 E2023 | E2002-R2006 PolarHBondContact O-N 2.92Å; R2006-E2023 IonicContact NH2-OE1 3Å; R2006-E2023 PolarHBondContact NH2-OE1 2.7Å |
| 2007 | N | 32.9 | Very low | 30.4 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -1.4 | -177.6 | -75 | -7.8 | 0 | 0 | 0 | 115.3 | L2005 | L2005-N2007 PolarHBondContact O-N 3.23Š|
| 2008 | M | 29.4 | Very low | 30.6 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -116.8 | 22.5 | -179.7 | -61.7 | -160.4 | 83.6 | 0 | 0 | 114.8 | ||
| 2009 | V | 27.5 | Very low | 31 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | -119.5 | 76.9 | 152.3 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | P2011 | V2009-P2011 WeakPolarHBondContact O-CD 3.25Š| ||
| 2010 | Q | 25.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | trans | -93.8 | 105.3 | 155.1 | -79.5 | -171 | -18.3 | 0 | 0 | 108.5 | N2012 | Q2010-N2012 PolarHBondContact O-N 3.48Š| ||
| 2011 | P | 31 | Very low | 30.9 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -84.8 | 96 | 158 | 31.4 | -23.6 | 0 | 0 | 0 | 107.8 | V2009 G2013 | V2009-P2011 WeakPolarHBondContact O-CD 3.25Å; P2011-G2013 PolarHBondContact O-N 3.46Å | ||
| 2012 | N | 30.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | -66.8 | 115.2 | 168 | -72.3 | -40.4 | 0 | 0 | 0 | 108.2 | Q2010 | Q2010-N2012 PolarHBondContact O-N 3.48Š| ||
| 2013 | G | 28.4 | Very low | 30.2 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | -174.4 | 41.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P2011 | P2011-G2013 PolarHBondContact O-N 3.46Š| ||
| 2014 | D | 29.4 | Very low | 29.8 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | trans | 52.9 | 133 | 163.3 | -61.3 | -16.6 | 0 | 0 | 0 | 121.5 | ||||
| 2015 | S | 28.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -70 | 162.2 | 154.3 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2016 | P | 30.2 | Very low | 29 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | cis | -130.1 | 140.9 | 12.7 | 37.5 | -20.9 | 0 | 0 | 0 | 115.6 | ||||
| 2017 | D | 28.3 | Very low | 28.5 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | S | Bend | -160.3 | 161.3 | 123.5 | -102.3 | -27.7 | 0 | 0 | 0 | 110.5 | N2019 | D2017-N2019 PolarHBondContact O-N 3.08Š| |
| 2018 | E | 28.7 | Very low | 28.8 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -44.4 | 117.2 | -155.5 | -57.4 | -172.6 | 110 | 0 | 0 | 119.2 | T2020 | E2018-T2020 VanDerWaalsContact C-N 3.31Å; E2018-T2020 PolarHBondContact O-N 3.3Å; E2018-T2020 PolarHBondContact O-OG1 2.87Å | ||
| 2019 | N | 33.3 | Very low | 28.6 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | trans | 51.3 | 26.5 | 133.8 | -65.6 | -40.5 | 0 | 0 | 0 | 119.2 | D2017 | D2017-N2019 PolarHBondContact O-N 3.08Š| ||
| 2020 | T | 32 | Very low | 29.1 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -109.7 | 155.9 | -174.4 | 30.7 | 0 | 0 | 0 | 0 | 114.3 | E2018 | E2018-T2020 VanDerWaalsContact C-N 3.31Å; E2018-T2020 PolarHBondContact O-N 3.3Å; E2018-T2020 PolarHBondContact O-OG1 2.87Å | ||
| 2021 | Q | 33 | Very low | 29.9 | Very low | 195 Ų | 195 | 126.2 Ų | 126.2 | 91% | 0.911 | 69% | 0.694 | S | S | * | * | trans | -86.4 | 142.1 | -158.5 | -60.2 | 165.9 | -90.1 | 0 | 0 | 114 | ||||
| 2022 | P | 22.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | trans | -102.1 | 113.3 | 172.1 | 35 | -28.7 | 0 | 0 | 0 | 113.1 | ||||
| 2023 | E | 26.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -159.6 | 120.3 | 162.8 | -119.2 | 165.8 | -151.6 | 0 | 0 | 113.6 | R2006 | R2006-E2023 IonicContact NH2-OE1 3Å; R2006-E2023 PolarHBondContact NH2-OE1 2.7Å | ||
| 2024 | T | 26.2 | Very low | 33.9 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 56% | 0.564 | 68% | 0.678 | S | S | * | * | trans | 60.2 | 119.8 | 161.9 | 59.8 | 0 | 0 | 0 | 0 | 122.9 | Q2026 | T2024-Q2026 PolarHBondContact OG1-NE2 2.94Å; T2024-Q2026 VanDerWaalsContact OG1-NE2 3.08Å | ||
| 2025 | E | 24.4 | Very low | 35 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 67% | 0.668 | 66% | 0.657 | S | S | * | * | -80.6 | 148 | 115.3 | -103.4 | -119.2 | -167.3 | 0 | 0 | 108.1 | R2027 P2028 | E2025-R2027 VanDerWaalsContact OE2-CA 3.29Å; E2025-R2027 WeakPolarHBondContact OE2-CA 3.29Å; E2025-R2027 PolarHBondContact OE2-N 3.42Å; E2025-P2028 VanDerWaalsContact OE1-CD 3.25Å; E2025-P2028 WeakPolarHBondContact OE1-CD 3.2Å | |||
| 2026 | Q | 27.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | S | Bend | cis | 55.2 | 107.5 | -11.3 | -60.6 | -171.5 | 91.8 | 0 | 0 | 118.9 | T2024 P2028 | T2024-Q2026 PolarHBondContact OG1-NE2 2.94Å; T2024-Q2026 VanDerWaalsContact OG1-NE2 3.08Å; Q2026-P2028 VanDerWaalsContact O-CA 3.29Å; Q2026-P2028 WeakPolarHBondContact O-CA 3.29Å; Q2026-P2028 VanDerWaalsContact O-N 3.15Å |
| 2027 | R | 23.9 | Very low | 38.5 | Very low | 231 Ų | 231 | 120.8 Ų | 120.8 | 87% | 0.872 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -24.9 | 118.6 | 158.8 | 166.5 | -146.6 | -174.5 | 174 | 5.2 | 108.6 | E2025 T2029 | E2025-R2027 VanDerWaalsContact OE2-CA 3.29Å; E2025-R2027 WeakPolarHBondContact OE2-CA 3.29Å; E2025-R2027 PolarHBondContact OE2-N 3.42Å; R2027-T2029 PolarHBondContact O-N 2.68Å |
| 2028 | P | 38 | Very low | 39.9 | Very low | 91 Ų | 91 | 116.8 Ų | 116.8 | 59% | 0.591 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 109.6 | -143 | 18.9 | -31.7 | 0 | 0 | 0 | 109 | E2025 Q2026 M2030 | E2025-P2028 VanDerWaalsContact OE1-CD 3.25Å; E2025-P2028 WeakPolarHBondContact OE1-CD 3.2Å; Q2026-P2028 VanDerWaalsContact O-CA 3.29Å; Q2026-P2028 WeakPolarHBondContact O-CA 3.29Å; Q2026-P2028 VanDerWaalsContact O-N 3.15Å; P2028-M2030 PolarHBondContact O-N 2.73Å |
| 2029 | T | 25.6 | Very low | 41.7 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | trans | -59.3 | 101.1 | 152.7 | 44.1 | 0 | 0 | 0 | 0 | 103.6 | R2027 S2031 | R2027-T2029 PolarHBondContact O-N 2.68Å; T2029-S2031 PolarHBondContact O-N 2.78Å | ||
| 2030 | M | 38.6 | Very low | 43.4 | Very low | 71 Ų | 71 | 114.1 Ų | 114.1 | 35% | 0.35 | 58% | 0.584 | S | S | . | * | trans | -23.7 | 111.9 | 156 | -60.7 | -164.7 | 69.5 | 0 | 0 | 106 | P2028 E2034 L2035 L2038 | P2028-M2030 PolarHBondContact O-N 2.73Å; M2030-E2034 HydrophobicContact CB-CB 3.82Å; M2030-E2034 HydrophobicContact CE-CB 4.05Å; M2030-L2035 HydrophobicContact CB-CB 4.12Å; M2030-L2035 VanDerWaalsContact O-CB 3.29Å; M2030-L2035 WeakPolarHBondContact O-CB 3.42Å; M2030-L2038 HydrophobicContact CE-CB 4.1Å; M2030-L2038 HydrophobicContact CE-CD1 3.93Å; M2030-L2038 HydrophobicContact CE-CG 4.4Å; M2030-L2038 HydrophobicContact SD-CB 4.21Å; M2030-L2038 HydrophobicContact SD-CD1 4.21Å; M2030-L2038 HydrophobicContact SD-CD2 3.85Å; M2030-L2038 HydrophobicContact SD-CG 4.29Å | ||
| 2031 | S | 41.9 | Very low | 45 | Very low | 48 Ų | 48 | 116.2 Ų | 116.2 | 34% | 0.336 | 58% | 0.578 | S | S | . | * | trans | -45.6 | 151 | -169.4 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | T2029 T2033 E2034 L2035 | T2029-S2031 PolarHBondContact O-N 2.78Å; S2031-T2033 CarbonylContact O-C 3.26Å; S2031-T2033 VanDerWaalsContact O-C 3.26Å; S2031-T2033 PolarHBondContact O-N 2.77Å; S2031-T2033 PolarHBondContact OG-OG1 2.66Å; S2031-E2034 WeakPolarHBondContact CB-OE2 2.94Å; S2031-E2034 PolarHBondContact N-OE2 2.93Å; S2031-E2034 CarbonylContact O-C 3.39Å; S2031-E2034 WeakPolarHBondContact O-CA 3.26Å; S2031-E2034 PolarHBondContact O-N 2.77Å; S2031-E2034 VanDerWaalsContact OG-CG 3.26Å; S2031-E2034 WeakPolarHBondContact OG-CG 3.29Å; S2031-E2034 PolarHBondContact OG-N 3.43Å; S2031-E2034 PolarHBondContact OG-OE2 3.49Å; S2031-L2035 PolarHBondContact O-N 3.3Å | ||
| 2032 | T | 57 | Low | 46 | Very low | 118 Ų | 118 | 111.1 Ų | 111.1 | 72% | 0.724 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.2 | -21 | -171.6 | 1.5 | 0 | 0 | 0 | 0 | 113 | M2036 | T2032-M2036 WeakPolarHBondContact O-CB 3.29Å; T2032-M2036 WeakPolarHBondContact O-CG 3.4Å; T2032-M2036 PolarHBondContact O-N 3.44Å |
| 2033 | T | 61.7 | Low | 47.8 | Very low | 104 Ų | 104 | 110.9 Ų | 110.9 | 64% | 0.638 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67 | -53.3 | 159.2 | 20.7 | 0 | 0 | 0 | 0 | 115.5 | S2031 L2035 M2036 D2037 | S2031-T2033 CarbonylContact O-C 3.26Å; S2031-T2033 VanDerWaalsContact O-C 3.26Å; S2031-T2033 PolarHBondContact O-N 2.77Å; S2031-T2033 PolarHBondContact OG-OG1 2.66Å; T2033-L2035 VanDerWaalsContact C-N 3.3Å; T2033-L2035 PolarHBondContact O-N 2.81Å; T2033-M2036 CarbonylContact O-C 3.54Å; T2033-M2036 PolarHBondContact O-N 3.08Å; T2033-D2037 WeakPolarHBondContact O-CB 3.08Å; T2033-D2037 PolarHBondContact O-N 2.85Å |
| 2034 | E | 55.4 | Low | 49.8 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -24.6 | 171.5 | -68 | 167.1 | 104.3 | 0 | 0 | 114.4 | M2030 S2031 D2037 L2038 | M2030-E2034 HydrophobicContact CB-CB 3.82Å; M2030-E2034 HydrophobicContact CE-CB 4.05Å; S2031-E2034 WeakPolarHBondContact CB-OE2 2.94Å; S2031-E2034 PolarHBondContact N-OE2 2.93Å; S2031-E2034 CarbonylContact O-C 3.39Å; S2031-E2034 WeakPolarHBondContact O-CA 3.26Å; S2031-E2034 PolarHBondContact O-N 2.77Å; S2031-E2034 VanDerWaalsContact OG-CG 3.26Å; S2031-E2034 WeakPolarHBondContact OG-CG 3.29Å; S2031-E2034 PolarHBondContact OG-N 3.43Å; S2031-E2034 PolarHBondContact OG-OE2 3.49Å; E2034-D2037 CarbonylContact O-C 3.59Å; E2034-L2038 WeakPolarHBondContact O-CA 3.22Å; E2034-L2038 VanDerWaalsContact O-CB 3.22Å; E2034-L2038 WeakPolarHBondContact O-CB 3.48Å; E2034-L2038 PolarHBondContact O-N 3.04Å |
| 2035 | L | 51.6 | Low | 51.3 | Low | 79 Ų | 79 | 112.1 Ų | 112.1 | 41% | 0.414 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -85.8 | -27.1 | 172.9 | -168.3 | 147.9 | 0 | 0 | 0 | 111.3 | M2030 S2031 T2033 K2039 | M2030-L2035 HydrophobicContact CB-CB 4.12Å; M2030-L2035 VanDerWaalsContact O-CB 3.29Å; M2030-L2035 WeakPolarHBondContact O-CB 3.42Å; S2031-L2035 PolarHBondContact O-N 3.3Å; T2033-L2035 VanDerWaalsContact C-N 3.3Å; T2033-L2035 PolarHBondContact O-N 2.81Å; L2035-K2039 VanDerWaalsContact O-CB 3.25Å; L2035-K2039 WeakPolarHBondContact O-CB 3.32Å; L2035-K2039 PolarHBondContact O-N 3.43Å |
| 2036 | M | 61.4 | Low | 52.8 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.6 | -28.5 | 162.2 | -80.3 | -134 | -170.5 | 0 | 0 | 112.6 | T2032 T2033 R2040 | T2032-M2036 WeakPolarHBondContact O-CB 3.29Å; T2032-M2036 WeakPolarHBondContact O-CG 3.4Å; T2032-M2036 PolarHBondContact O-N 3.44Å; T2033-M2036 CarbonylContact O-C 3.54Å; T2033-M2036 PolarHBondContact O-N 3.08Å; M2036-R2040 VanDerWaalsContact O-CB 3.28Å; M2036-R2040 WeakPolarHBondContact O-CB 3.41Å; M2036-R2040 WeakPolarHBondContact O-CD 3.25Å; M2036-R2040 WeakPolarHBondContact O-CG 3.4Å; M2036-R2040 PolarHBondContact O-N 3Å |
| 2037 | D | 71.3 | Confident | 54.3 | Low | 76 Ų | 76 | 109.4 Ų | 109.4 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -85.1 | -27.8 | 173.3 | -97.8 | 18 | 0 | 0 | 0 | 111.2 | T2033 E2034 R2040 R2041 | T2033-D2037 WeakPolarHBondContact O-CB 3.08Å; T2033-D2037 PolarHBondContact O-N 2.85Å; E2034-D2037 CarbonylContact O-C 3.59Å; D2037-R2040 WeakPolarHBondContact OD1-CD 3.23Å; D2037-R2040 IonicContact OD1-CZ 3.71Å; D2037-R2040 IonicContact OD1-NE 3.87Å; D2037-R2040 IonicContact OD1-NH1 2.79Å; D2037-R2040 PolarHBondContact OD1-NH1 2.78Å; D2037-R2041 WeakPolarHBondContact O-CA 3.28Å; D2037-R2041 WeakPolarHBondContact O-CB 3.06Å; D2037-R2041 PolarHBondContact O-N 3.41Å |
| 2038 | L | 58.6 | Low | 55.5 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.2 | -36.1 | 163.9 | -155.5 | 86.2 | 0 | 0 | 0 | 110.2 | M2030 E2034 R2041 L2042 | M2030-L2038 HydrophobicContact CE-CB 4.1Å; M2030-L2038 HydrophobicContact CE-CD1 3.93Å; M2030-L2038 HydrophobicContact CE-CG 4.4Å; M2030-L2038 HydrophobicContact SD-CB 4.21Å; M2030-L2038 HydrophobicContact SD-CD1 4.21Å; M2030-L2038 HydrophobicContact SD-CD2 3.85Å; M2030-L2038 HydrophobicContact SD-CG 4.29Å; E2034-L2038 WeakPolarHBondContact O-CA 3.22Å; E2034-L2038 VanDerWaalsContact O-CB 3.22Å; E2034-L2038 WeakPolarHBondContact O-CB 3.48Å; E2034-L2038 PolarHBondContact O-N 3.04Å; L2038-R2041 PolarHBondContact O-N 3.38Å; L2038-L2042 HydrophobicContact CD2-CD1 4.05Å; L2038-L2042 HydrophobicContact CG-CD1 3.84Å; L2038-L2042 WeakPolarHBondContact O-CB 3.22Å; L2038-L2042 WeakPolarHBondContact O-CD1 3.35Å; L2038-L2042 PolarHBondContact O-N 2.99Å |
| 2039 | K | 65 | Low | 55.6 | Low | 134 Ų | 134 | 104.6 Ų | 104.6 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.2 | -58.8 | 166.4 | -101 | -175 | 172.9 | -179.6 | 0 | 110.2 | L2035 R2041 L2042 E2043 | L2035-K2039 VanDerWaalsContact O-CB 3.25Å; L2035-K2039 WeakPolarHBondContact O-CB 3.32Å; L2035-K2039 PolarHBondContact O-N 3.43Å; K2039-R2041 PolarHBondContact O-N 3.27Å; K2039-L2042 CarbonylContact O-C 3.58Å; K2039-L2042 WeakPolarHBondContact O-CA 3.42Å; K2039-L2042 WeakPolarHBondContact O-CB 3.44Å; K2039-L2042 PolarHBondContact O-N 3.28Å; K2039-E2043 VanDerWaalsContact O-CB 3.28Å; K2039-E2043 WeakPolarHBondContact O-CB 3.24Å; K2039-E2043 PolarHBondContact O-N 2.68Å |
| 2040 | R | 70.4 | Confident | 56.5 | Low | 129 Ų | 129 | 109.9 Ų | 109.9 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -27.8 | 177.9 | -73.3 | 160.9 | 175.9 | 169.7 | 0.7 | 113.1 | M2036 D2037 R2044 | M2036-R2040 VanDerWaalsContact O-CB 3.28Å; M2036-R2040 WeakPolarHBondContact O-CB 3.41Å; M2036-R2040 WeakPolarHBondContact O-CD 3.25Å; M2036-R2040 WeakPolarHBondContact O-CG 3.4Å; M2036-R2040 PolarHBondContact O-N 3Å; D2037-R2040 WeakPolarHBondContact OD1-CD 3.23Å; D2037-R2040 IonicContact OD1-CZ 3.71Å; D2037-R2040 IonicContact OD1-NE 3.87Å; D2037-R2040 IonicContact OD1-NH1 2.79Å; D2037-R2040 PolarHBondContact OD1-NH1 2.78Å; R2040-R2044 WeakPolarHBondContact O-CB 3.13Å; R2040-R2044 WeakPolarHBondContact O-CG 3.16Å; R2040-R2044 PolarHBondContact O-N 2.67Å |
| 2041 | R | 65.2 | Low | 56.2 | Low | 176 Ų | 176 | 117.4 Ų | 117.4 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79.2 | -38.6 | 174.9 | -164.6 | 169.4 | -170.2 | 167.6 | 0.1 | 110.3 | D2037 L2038 K2039 E2043 I2045 | D2037-R2041 WeakPolarHBondContact O-CA 3.28Å; D2037-R2041 WeakPolarHBondContact O-CB 3.06Å; D2037-R2041 PolarHBondContact O-N 3.41Å; L2038-R2041 PolarHBondContact O-N 3.38Å; K2039-R2041 PolarHBondContact O-N 3.27Å; R2041-E2043 VanDerWaalsContact C-N 3.31Å; R2041-I2045 HydrophobicContact CG-CD1 4.45Å; R2041-I2045 VanDerWaalsContact O-CB 3.23Å; R2041-I2045 WeakPolarHBondContact O-CB 3.28Å; R2041-I2045 VanDerWaalsContact O-CD1 3.29Å; R2041-I2045 WeakPolarHBondContact O-CD1 3.41Å; R2041-I2045 WeakPolarHBondContact O-CG1 3.14Å; R2041-I2045 PolarHBondContact O-N 2.73Å |
| 2042 | L | 54 | Low | 57 | Low | 87 Ų | 87 | 120.9 Ų | 120.9 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64 | -32.3 | 164.3 | -97.2 | 83.5 | 0 | 0 | 0 | 112.6 | L2038 K2039 K2046 | L2038-L2042 HydrophobicContact CD2-CD1 4.05Å; L2038-L2042 HydrophobicContact CG-CD1 3.84Å; L2038-L2042 WeakPolarHBondContact O-CB 3.22Å; L2038-L2042 WeakPolarHBondContact O-CD1 3.35Å; L2038-L2042 PolarHBondContact O-N 2.99Å; K2039-L2042 CarbonylContact O-C 3.58Å; K2039-L2042 WeakPolarHBondContact O-CA 3.42Å; K2039-L2042 WeakPolarHBondContact O-CB 3.44Å; K2039-L2042 PolarHBondContact O-N 3.28Å; L2042-K2046 VanDerWaalsContact O-CB 3.24Å; L2042-K2046 WeakPolarHBondContact O-CB 3.34Å; L2042-K2046 WeakPolarHBondContact O-CG 3.32Å; L2042-K2046 PolarHBondContact O-N 2.84Å |
| 2043 | E | 61.1 | Low | 57 | Low | 116 Ų | 116 | 121 Ų | 121 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -80.8 | -39.3 | -176.9 | -145.6 | 117.4 | -112.9 | 0 | 0 | 110 | K2039 R2041 K2046 S2047 | K2039-E2043 VanDerWaalsContact O-CB 3.28Å; K2039-E2043 WeakPolarHBondContact O-CB 3.24Å; K2039-E2043 PolarHBondContact O-N 2.68Å; R2041-E2043 VanDerWaalsContact C-N 3.31Å; E2043-K2046 CarbonylContact O-C 3.45Å; E2043-K2046 PolarHBondContact O-N 2.79Å; E2043-S2047 WeakPolarHBondContact O-CB 3.13Å; E2043-S2047 PolarHBondContact O-N 2.73Å; E2043-S2047 PolarHBondContact O-OG 2.76Å |
| 2044 | R | 66.8 | Low | 56.7 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 64% | 0.642 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.8 | -37.9 | 165.8 | -76.6 | 171 | -178.4 | 159.8 | 1.7 | 111.6 | R2040 S2047 A2048 | R2040-R2044 WeakPolarHBondContact O-CB 3.13Å; R2040-R2044 WeakPolarHBondContact O-CG 3.16Å; R2040-R2044 PolarHBondContact O-N 2.67Å; R2044-S2047 WeakPolarHBondContact CA-OG 3.15Å; R2044-S2047 PolarHBondContact O-OG 2.81Å; R2044-S2047 VanDerWaalsContact O-OG 3.08Å; R2044-A2048 WeakPolarHBondContact O-CB 3.14Å; R2044-A2048 PolarHBondContact O-N 3.21Å |
| 2045 | I | 58.6 | Low | 56.8 | Low | 96 Ų | 96 | 123.1 Ų | 123.1 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.4 | -43.6 | 173.1 | -73.4 | 163.6 | 0 | 0 | 0 | 110.4 | R2041 S2047 A2048 Q2049 | R2041-I2045 HydrophobicContact CG-CD1 4.45Å; R2041-I2045 VanDerWaalsContact O-CB 3.23Å; R2041-I2045 WeakPolarHBondContact O-CB 3.28Å; R2041-I2045 VanDerWaalsContact O-CD1 3.29Å; R2041-I2045 WeakPolarHBondContact O-CD1 3.41Å; R2041-I2045 WeakPolarHBondContact O-CG1 3.14Å; R2041-I2045 PolarHBondContact O-N 2.73Å; I2045-S2047 VanDerWaalsContact C-N 3.33Å; I2045-S2047 PolarHBondContact O-N 3.18Å; I2045-A2048 CarbonylContact O-C 3.59Å; I2045-A2048 PolarHBondContact O-N 3.21Å; I2045-Q2049 PolarHBondContact O-N 3.42Å |
| 2046 | K | 54.4 | Low | 57.1 | Low | 137 Ų | 137 | 125.9 Ų | 125.9 | 60% | 0.596 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.9 | -30.2 | 174.8 | -80.2 | 175.8 | 176.3 | -177.5 | 0 | 113.4 | L2042 E2043 | L2042-K2046 VanDerWaalsContact O-CB 3.24Å; L2042-K2046 WeakPolarHBondContact O-CB 3.34Å; L2042-K2046 WeakPolarHBondContact O-CG 3.32Å; L2042-K2046 PolarHBondContact O-N 2.84Å; E2043-K2046 CarbonylContact O-C 3.45Å; E2043-K2046 PolarHBondContact O-N 2.79Å |
| 2047 | S | 59.8 | Low | 56.8 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -81.2 | -33.9 | 172.9 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | E2043 R2044 I2045 Q2049 K2050 | E2043-S2047 WeakPolarHBondContact O-CB 3.13Å; E2043-S2047 PolarHBondContact O-N 2.73Å; E2043-S2047 PolarHBondContact O-OG 2.76Å; R2044-S2047 WeakPolarHBondContact CA-OG 3.15Å; R2044-S2047 PolarHBondContact O-OG 2.81Å; R2044-S2047 VanDerWaalsContact O-OG 3.08Å; I2045-S2047 VanDerWaalsContact C-N 3.33Å; I2045-S2047 PolarHBondContact O-N 3.18Å; S2047-Q2049 VanDerWaalsContact C-N 3.29Å; S2047-Q2049 PolarHBondContact O-N 2.91Å; S2047-K2050 WeakPolarHBondContact O-CA 3.38Å; S2047-K2050 WeakPolarHBondContact O-CB 3.37Å; S2047-K2050 PolarHBondContact O-N 2.86Å |
| 2048 | A | 48.8 | Very low | 55.8 | Low | 64 Ų | 64 | 130.4 Ų | 130.4 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -78.7 | -8.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | R2044 I2045 | R2044-A2048 WeakPolarHBondContact O-CB 3.14Å; R2044-A2048 PolarHBondContact O-N 3.21Å; I2045-A2048 CarbonylContact O-C 3.59Å; I2045-A2048 PolarHBondContact O-N 3.21Å |
| 2049 | Q | 40.6 | Very low | 55.6 | Low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 11.7 | 160.2 | -69.6 | -169.7 | -45.8 | 0 | 0 | 112.8 | I2045 S2047 | I2045-Q2049 PolarHBondContact O-N 3.42Å; S2047-Q2049 VanDerWaalsContact C-N 3.29Å; S2047-Q2049 PolarHBondContact O-N 2.91Å |
| 2050 | K | 43.5 | Very low | 54.8 | Low | 189 Ų | 189 | 134.8 Ų | 134.8 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | trans | -108 | 6.3 | 160.7 | -93 | -171.1 | 170.3 | -172.8 | 0 | 112.6 | S2047 | S2047-K2050 WeakPolarHBondContact O-CA 3.38Å; S2047-K2050 WeakPolarHBondContact O-CB 3.37Å; S2047-K2050 PolarHBondContact O-N 2.86Å | ||
| 2051 | H | 34.2 | Very low | 53.4 | Low | 228 Ų | 228 | 135.3 Ų | 135.3 | 100% | 1.056 | 64% | 0.637 | S | S | * | * | trans | -107.5 | 0 | 148.4 | -77.6 | -59.9 | 0 | 0 | 0 | 108.4 |
Retrieved 2,051 of 2,051 residues in 2530.3 ms
(Link to these results)