| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.8 | Very low | 69.5 | Low | 245 Ų | 245 | 97.5 Ų | 97.5 | 100% | 1.207 | 50% | 0.496 | S | S | * | . | 0 | 87.7 | 0 | -69.6 | -178.1 | 176.5 | 0 | 0 | 106.6 | |||||
| 2 | T | 44.8 | Very low | 70.9 | Confident | 102 Ų | 102 | 95 Ų | 95 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | trans | -64.7 | 126.6 | 164.8 | 39.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | S | 56.2 | Low | 72.2 | Confident | 59 Ų | 59 | 87.7 Ų | 87.7 | 41% | 0.413 | 44% | 0.44 | S | S | . | . | trans | -69.8 | 141.8 | -174 | 74.5 | 0 | 0 | 0 | 0 | 109.5 | N5 D6 | S3-N5 PolarHBondContact O-N 2.72Å; S3-N5 WeakPolarHBondContact OG-CB 3.44Å; S3-D6 PolarHBondContact O-N 3.49Å; S3-D6 PolarHBondContact OG-N 3Å; S3-D6 PolarHBondContact OG-OD2 2.73Å; S3-D6 VanDerWaalsContact OG-OD2 3.07Å | ||
| 4 | D | 60 | Low | 73.2 | Confident | 136 Ų | 136 | 88.4 Ų | 88.4 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -49.9 | -20.5 | 170.8 | -82.3 | -23.6 | 0 | 0 | 0 | 112.4 | I8 | D4-I8 WeakPolarHBondContact O-CD1 3.48Å; D4-I8 WeakPolarHBondContact O-CG1 3.34Å; D4-I8 PolarHBondContact O-N 3.22Å |
| 5 | N | 70.6 | Confident | 74 | Confident | 106 Ų | 106 | 89.5 Ų | 89.5 | 57% | 0.567 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.9 | -35.8 | 176.4 | -122.7 | 4.5 | 0 | 0 | 0 | 113.4 | S3 I8 L9 | S3-N5 PolarHBondContact O-N 2.72Å; S3-N5 WeakPolarHBondContact OG-CB 3.44Å; N5-I8 PolarHBondContact O-N 3.32Å; N5-L9 VanDerWaalsContact O-CG 3.23Å; N5-L9 WeakPolarHBondContact O-CG 3.15Å; N5-L9 PolarHBondContact O-N 2.93Å; N5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | D | 78 | Confident | 74.9 | Confident | 35 Ų | 35 | 86.1 Ų | 86.1 | 19% | 0.187 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | -179.5 | -66.5 | -52.4 | 0 | 0 | 0 | 110.9 | S3 I8 L9 E10 W72 | S3-D6 PolarHBondContact O-N 3.49Å; S3-D6 PolarHBondContact OG-N 3Å; S3-D6 PolarHBondContact OG-OD2 2.73Å; S3-D6 VanDerWaalsContact OG-OD2 3.07Å; D6-I8 VanDerWaalsContact C-N 3.31Å; D6-I8 PolarHBondContact O-N 3.14Å; D6-L9 PolarHBondContact O-N 3.3Å; D6-E10 VanDerWaalsContact O-CG 3.25Å; D6-E10 WeakPolarHBondContact O-CG 3.29Å; D6-E10 PolarHBondContact O-N 3.07Å; D6-W72 PolarHBondContact OD1-NE1 2.5Å |
| 7 | E | 79.4 | Confident | 75.6 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 177 | -163.2 | 179.4 | 161.5 | 0 | 0 | 112.2 | R11 | E7-R11 WeakPolarHBondContact O-CB 3.45Å; E7-R11 VanDerWaalsContact O-CG 3.3Å; E7-R11 WeakPolarHBondContact O-CG 3.37Å; E7-R11 PolarHBondContact O-N 2.92Å; E7-R11 IonicContact OE1-CZ 3.75Å; E7-R11 IonicContact OE1-NE 2.77Å; E7-R11 IonicContact OE1-NH2 3.23Å; E7-R11 PolarHBondContact OE1-NH2 3.41Å |
| 8 | I | 82.4 | Confident | 76.2 | Confident | 92 Ų | 92 | 84.2 Ų | 84.2 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 173.8 | -67.3 | 167.5 | 0 | 0 | 0 | 110.9 | D4 N5 D6 R12 | D4-I8 WeakPolarHBondContact O-CD1 3.48Å; D4-I8 WeakPolarHBondContact O-CG1 3.34Å; D4-I8 PolarHBondContact O-N 3.22Å; N5-I8 PolarHBondContact O-N 3.32Å; D6-I8 VanDerWaalsContact C-N 3.31Å; D6-I8 PolarHBondContact O-N 3.14Å; I8-R12 WeakPolarHBondContact O-CB 3.35Å; I8-R12 PolarHBondContact O-N 2.82Å |
| 9 | L | 85.1 | Confident | 76.7 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -71.6 | -38.8 | 179.9 | -65.9 | 171.1 | 0 | 0 | 0 | 112 | N5 D6 R12 I13 W72 F73 | N5-L9 VanDerWaalsContact O-CG 3.23Å; N5-L9 WeakPolarHBondContact O-CG 3.15Å; N5-L9 PolarHBondContact O-N 2.93Å; N5-L9 VanDerWaalsContact O-N 3.1Å; D6-L9 PolarHBondContact O-N 3.3Å; L9-R12 WeakPolarHBondContact O-CB 3.35Å; L9-R12 PolarHBondContact O-N 3.36Å; L9-I13 WeakPolarHBondContact O-CG1 3.26Å; L9-I13 PolarHBondContact O-N 3.49Å; L9-I13 VanDerWaalsContact O-N 3.09Å; L9-W72 HydrophobicContact CB-CH2 4.27Å; L9-W72 HydrophobicContact CB-CZ2 3.92Å; L9-F73 HydrophobicContact CB-CD2 3.91Å; L9-F73 HydrophobicContact CB-CE2 4.29Å; L9-F73 HydrophobicContact CB-CG 4.32Å; L9-F73 HydrophobicContact CD1-CB 3.81Å; L9-F73 HydrophobicContact CD1-CD1 4.24Å; L9-F73 HydrophobicContact CD1-CD2 4.32Å; L9-F73 HydrophobicContact CD1-CG 3.87Å; L9-F73 HydrophobicContact CD2-CD1 3.82Å; L9-F73 HydrophobicContact CD2-CD2 3.94Å; L9-F73 HydrophobicContact CD2-CE1 3.78Å; L9-F73 HydrophobicContact CD2-CE2 3.89Å; L9-F73 HydrophobicContact CD2-CG 3.89Å; L9-F73 HydrophobicContact CD2-CZ 3.81Å; L9-F73 HydrophobicContact CG-CD2 4.26Å; L9-F73 HydrophobicContact CG-CG 4.23Å |
| 10 | E | 83.9 | Confident | 77.2 | Confident | 28 Ų | 28 | 77.4 Ų | 77.4 | 13% | 0.131 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 171.9 | -70.6 | 170.8 | -173.3 | 0 | 0 | 111.2 | D6 R12 I13 E14 V64 R66 H68 W72 | D6-E10 VanDerWaalsContact O-CG 3.25Å; D6-E10 WeakPolarHBondContact O-CG 3.29Å; D6-E10 PolarHBondContact O-N 3.07Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 2.93Å; E10-I13 PolarHBondContact O-N 3.04Å; E10-E14 PolarHBondContact O-N 3.19Å; E10-V64 HydrophobicContact CB-CG1 4.34Å; E10-V64 HydrophobicContact CG-CG1 4.12Å; E10-R66 VanDerWaalsContact CD-NH2 3.3Å; E10-R66 IonicContact OE1-CZ 2.76Å; E10-R66 VanDerWaalsContact OE1-CZ 3.31Å; E10-R66 IonicContact OE1-NE 3.03Å; E10-R66 PolarHBondContact OE1-NE 3.21Å; E10-R66 IonicContact OE1-NH2 3.84Å; E10-R66 PolarHBondContact OE1-NH2 3.07Å; E10-R66 IonicContact OE2-CZ 2.76Å; E10-R66 IonicContact OE2-NE 2.72Å; E10-R66 IonicContact OE2-NH2 3.6Å; E10-R66 PolarHBondContact OE2-NH2 3.49Å; E10-H68 IonicContact OE1-CE1 2.81Å; E10-H68 PolarHBondContact OE1-CE1 3.1Å; E10-H68 IonicContact OE1-ND1 2.67Å; E10-H68 IonicContact OE1-NE2 3.02Å; E10-W72 HydrophobicContact CG-CH2 4.43Å; E10-W72 HydrophobicContact CG-CZ2 4.39Å |
| 11 | R | 84.2 | Confident | 77.8 | Confident | 161 Ų | 161 | 77.3 Ų | 77.3 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60 | -37.2 | 177.4 | -74.5 | 179.7 | -170.1 | -169.6 | 6.1 | 112 | E7 E14 C15 | E7-R11 WeakPolarHBondContact O-CB 3.45Å; E7-R11 VanDerWaalsContact O-CG 3.3Å; E7-R11 WeakPolarHBondContact O-CG 3.37Å; E7-R11 PolarHBondContact O-N 2.92Å; E7-R11 IonicContact OE1-CZ 3.75Å; E7-R11 IonicContact OE1-NE 2.77Å; E7-R11 IonicContact OE1-NH2 3.23Å; E7-R11 PolarHBondContact OE1-NH2 3.41Å; R11-E14 PolarHBondContact O-N 3.06Å; R11-C15 WeakPolarHBondContact O-CB 3.36Å; R11-C15 PolarHBondContact O-N 3.38Å; R11-C15 PolarHBondContact O-SG 2.88Å |
| 12 | R | 86.5 | Confident | 79.9 | Confident | 68 Ų | 68 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.3 | -174.7 | -176.3 | -60.7 | -173.2 | 0.2 | 111.6 | I8 L9 E10 E14 C15 L16 L92 | I8-R12 WeakPolarHBondContact O-CB 3.35Å; I8-R12 PolarHBondContact O-N 2.82Å; L9-R12 WeakPolarHBondContact O-CB 3.35Å; L9-R12 PolarHBondContact O-N 3.36Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 2.93Å; R12-E14 VanDerWaalsContact C-N 3.34Å; R12-C15 PolarHBondContact O-N 3.43Å; R12-L16 HydrophobicContact CG-CD1 4Å; R12-L16 WeakPolarHBondContact O-CG 3.43Å; R12-L16 PolarHBondContact O-N 3.2Å; R12-L16 VanDerWaalsContact O-N 3.16Å; R12-L92 WeakPolarHBondContact CD-O 3Å; R12-L92 PolarHBondContact NH1-O 3.11Å |
| 13 | I | 88.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.9 | -67.6 | 173.5 | 0 | 0 | 0 | 110.2 | L9 E10 C15 L16 K17 L20 I60 V64 W72 F73 F76 L92 | L9-I13 WeakPolarHBondContact O-CG1 3.26Å; L9-I13 PolarHBondContact O-N 3.49Å; L9-I13 VanDerWaalsContact O-N 3.09Å; E10-I13 PolarHBondContact O-N 3.04Å; I13-C15 PolarHBondContact O-N 3.28Å; I13-L16 CarbonylContact O-C 3.56Å; I13-L16 PolarHBondContact O-N 3.02Å; I13-K17 WeakPolarHBondContact O-CA 3.31Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 PolarHBondContact O-N 3.13Å; I13-L20 HydrophobicContact CG2-CD1 4.4Å; I13-I60 HydrophobicContact CG2-CG2 3.46Å; I13-I60 VanDerWaalsContact CG2-CG2 3.46Å; I13-V64 HydrophobicContact CB-CG2 4.15Å; I13-V64 HydrophobicContact CD1-CG2 3.97Å; I13-V64 HydrophobicContact CG2-CG2 3.7Å; I13-W72 HydrophobicContact CD1-CH2 3.73Å; I13-W72 HydrophobicContact CD1-CZ3 3.6Å; I13-F73 HydrophobicContact CD1-CD2 4.03Å; I13-F73 HydrophobicContact CD1-CE2 4.04Å; I13-F73 HydrophobicContact CG1-CE2 4.08Å; I13-F76 HydrophobicContact CD1-CD1 4.23Å; I13-F76 HydrophobicContact CD1-CE1 4.31Å; I13-L92 HydrophobicContact CG1-CD2 3.75Å |
| 14 | E | 85.3 | Confident | 83.4 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | -178.6 | -163.5 | 63.7 | -160.5 | 0 | 0 | 112.2 | E10 R11 R12 L16 K17 | E10-E14 PolarHBondContact O-N 3.19Å; R11-E14 PolarHBondContact O-N 3.06Å; R12-E14 VanDerWaalsContact C-N 3.34Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.32Å; E14-K17 WeakPolarHBondContact O-CB 3.45Å; E14-K17 PolarHBondContact O-N 3.02Å; E14-K17 WeakPolarHBondContact OE1-CD 3.47Å; E14-K17 IonicContact OE1-NZ 3.14Å; E14-K17 PolarHBondContact OE1-NZ 3.21Å; E14-K17 WeakPolarHBondContact OE2-CD 3.34Å; E14-K17 IonicContact OE2-NZ 2.62Å; E14-K17 PolarHBondContact OE2-NZ 2.67Å |
| 15 | C | 85.9 | Confident | 84.6 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 70% | 0.703 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.5 | -35.2 | 174.3 | -72.9 | 0 | 0 | 0 | 0 | 113 | R11 R12 I13 | R11-C15 WeakPolarHBondContact O-CB 3.36Å; R11-C15 PolarHBondContact O-N 3.38Å; R11-C15 PolarHBondContact O-SG 2.88Å; R12-C15 PolarHBondContact O-N 3.43Å; I13-C15 PolarHBondContact O-N 3.28Å |
| 16 | L | 87.6 | Confident | 85.3 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -93.9 | -4.4 | -177.4 | -64.8 | 172.7 | 0 | 0 | 0 | 113.3 | R12 I13 E14 P18 R19 L20 Y91 L92 | R12-L16 HydrophobicContact CG-CD1 4Å; R12-L16 WeakPolarHBondContact O-CG 3.43Å; R12-L16 PolarHBondContact O-N 3.2Å; R12-L16 VanDerWaalsContact O-N 3.16Å; I13-L16 CarbonylContact O-C 3.56Å; I13-L16 PolarHBondContact O-N 3.02Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.32Å; L16-P18 VanDerWaalsContact C-CD 3.46Å; L16-R19 WeakPolarHBondContact O-CB 3.4Å; L16-R19 PolarHBondContact O-N 2.77Å; L16-L20 HydrophobicContact CB-CD1 3.88Å; L16-L20 HydrophobicContact CB-CG 4.13Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.89Å; L16-Y91 VanDerWaalsContact CD1-O 3.29Å; L16-Y91 WeakPolarHBondContact CD1-O 3.39Å; L16-Y91 HydrophobicContact CD2-CD1 4.22Å; L16-L92 HydrophobicContact CD1-CD2 4.47Å |
| 17 | K | 87.3 | Confident | 85.4 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.9 | -44.5 | -175.4 | -176.9 | 177.6 | -175.1 | 172.9 | 0 | 114.5 | I13 E14 R19 L20 R21 I60 | I13-K17 WeakPolarHBondContact O-CA 3.31Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 PolarHBondContact O-N 3.13Å; E14-K17 WeakPolarHBondContact O-CB 3.45Å; E14-K17 PolarHBondContact O-N 3.02Å; E14-K17 WeakPolarHBondContact OE1-CD 3.47Å; E14-K17 IonicContact OE1-NZ 3.14Å; E14-K17 PolarHBondContact OE1-NZ 3.21Å; E14-K17 WeakPolarHBondContact OE2-CD 3.34Å; E14-K17 IonicContact OE2-NZ 2.62Å; E14-K17 PolarHBondContact OE2-NZ 2.67Å; K17-R19 PolarHBondContact O-N 2.81Å; K17-L20 PolarHBondContact O-N 2.85Å; K17-R21 WeakPolarHBondContact O-CB 3.23Å; K17-R21 PolarHBondContact O-N 3.44Å; K17-I60 HydrophobicContact CG-CD1 4.33Å; K17-I60 HydrophobicContact CG-CG2 4.39Å |
| 18 | P | 86 | Confident | 85.5 | Confident | 86 Ų | 86 | 48 Ų | 48 | 56% | 0.558 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.2 | -36.2 | 177.5 | -23.9 | 34.9 | 0 | 0 | 0 | 112.7 | L16 | L16-P18 VanDerWaalsContact C-CD 3.46Å |
| 19 | R | 85.8 | Confident | 85.6 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.7 | -47.1 | 178.9 | -172.2 | 54.7 | 166.9 | -174.4 | -9.9 | 111.5 | L16 K17 R21 Q22 I23 Y91 E102 D106 | L16-R19 WeakPolarHBondContact O-CB 3.4Å; L16-R19 PolarHBondContact O-N 2.77Å; K17-R19 PolarHBondContact O-N 2.81Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-R21 PolarHBondContact O-N 2.94Å; R19-Q22 PolarHBondContact O-N 2.97Å; R19-Q22 VanDerWaalsContact O-N 3.07Å; R19-I23 HydrophobicContact CG-CD1 4.37Å; R19-I23 WeakPolarHBondContact O-CG1 3.23Å; R19-I23 PolarHBondContact O-N 2.89Å; R19-Y91 HydrophobicContact CG-CD1 4.2Å; R19-Y91 HydrophobicContact CG-CD2 4.47Å; R19-Y91 HydrophobicContact CG-CE1 3.75Å; R19-Y91 HydrophobicContact CG-CE2 4.04Å; R19-Y91 PolarHBondContact NE-OH 3.46Å; R19-Y91 PolarHBondContact NH2-OH 2.77Å; R19-E102 IonicContact CZ-OE1 2.82Å; R19-E102 IonicContact NE-OE1 3.05Å; R19-E102 IonicContact NH2-OE1 3.75Å; R19-D106 IonicContact CZ-OD1 3.88Å; R19-D106 VanDerWaalsContact CZ-OD1 3.22Å; R19-D106 IonicContact NH1-OD1 3.9Å; R19-D106 PolarHBondContact NH1-OD1 2.89Å; R19-D106 IonicContact NH1-OD2 3.8Å; R19-D106 IonicContact NH2-OD1 2.98Å; R19-D106 PolarHBondContact NH2-OD1 3.21Å; R19-D106 IonicContact NH2-OD2 3.63Å |
| 20 | L | 87.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 179.2 | -67.5 | 170.9 | 0 | 0 | 0 | 112.1 | I13 L16 K17 Q22 I23 I24 I60 A88 L92 | I13-L20 HydrophobicContact CG2-CD1 4.4Å; L16-L20 HydrophobicContact CB-CD1 3.88Å; L16-L20 HydrophobicContact CB-CG 4.13Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.89Å; K17-L20 PolarHBondContact O-N 2.85Å; L20-Q22 PolarHBondContact O-N 3.29Å; L20-I23 PolarHBondContact O-N 2.98Å; L20-I24 HydrophobicContact CB-CD1 3.91Å; L20-I24 WeakPolarHBondContact O-CB 3.46Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 3.29Å; L20-I60 HydrophobicContact CB-CD1 3.85Å; L20-A88 HydrophobicContact CD2-CB 3.9Å; L20-L92 HydrophobicContact CD1-CD2 3.65Å; L20-L92 HydrophobicContact CD1-CG 4.33Å; L20-L92 HydrophobicContact CD2-CD2 4.32Å; L20-L92 HydrophobicContact CD2-CG 4.16Å |
| 21 | R | 89.1 | Confident | 85.5 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54.1 | -35.5 | 175.6 | 177.6 | -172.8 | 157.9 | 140.9 | -1.6 | 113.2 | K17 R19 E53 A56 D57 | K17-R21 WeakPolarHBondContact O-CB 3.23Å; K17-R21 PolarHBondContact O-N 3.44Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-R21 PolarHBondContact O-N 2.94Å; R21-E53 HydrophobicContact CG-CB 4.02Å; R21-E53 HydrophobicContact CG-CG 4.2Å; R21-E53 IonicContact CZ-OE2 3.39Å; R21-E53 IonicContact NE-OE2 3.45Å; R21-E53 PolarHBondContact NE-OE2 3.34Å; R21-E53 IonicContact NH2-OE2 2.7Å; R21-E53 PolarHBondContact NH2-OE2 2.59Å; R21-A56 HydrophobicContact CG-CB 4.48Å; R21-D57 WeakPolarHBondContact CD-OD1 3.48Å; R21-D57 WeakPolarHBondContact CD-OD2 3.32Å; R21-D57 IonicContact CZ-OD2 3.64Å; R21-D57 IonicContact NE-OD2 2.78Å; R21-D57 IonicContact NH1-OD2 3.22Å; R21-D57 PolarHBondContact NH1-OD2 3.45Å |
| 22 | Q | 84.6 | Confident | 85.5 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -81 | -32.7 | -175.9 | -65.3 | 175.1 | -8.8 | 0 | 0 | 112.7 | R19 L20 R167 | R19-Q22 PolarHBondContact O-N 2.97Å; R19-Q22 VanDerWaalsContact O-N 3.07Å; L20-Q22 PolarHBondContact O-N 3.29Å; Q22-R167 PolarHBondContact O-NE 3.48Å |
| 23 | I | 86.5 | Confident | 85.4 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -104.3 | -15.5 | -168.6 | 62.3 | -179.7 | 0 | 0 | 0 | 114.3 | R19 L20 A88 Y91 | R19-I23 HydrophobicContact CG-CD1 4.37Å; R19-I23 WeakPolarHBondContact O-CG1 3.23Å; R19-I23 PolarHBondContact O-N 2.89Å; L20-I23 PolarHBondContact O-N 2.98Å; I23-A88 HydrophobicContact CD1-CB 3.85Å; I23-A88 HydrophobicContact CG1-CB 3.85Å; I23-Y91 HydrophobicContact CD1-CD2 3.62Å; I23-Y91 HydrophobicContact CD1-CE2 3.8Å |
| 24 | I | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -75.7 | 128.8 | 178.2 | -70.5 | 173.5 | 0 | 0 | 0 | 111.3 | L20 V26 V29 N52 A56 I60 F76 L80 A88 | L20-I24 HydrophobicContact CB-CD1 3.91Å; L20-I24 WeakPolarHBondContact O-CB 3.46Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 3.29Å; I24-V26 HydrophobicContact CG2-CG2 4.08Å; I24-V26 PolarHBondContact O-N 3.3Å; I24-V29 HydrophobicContact CG2-CG2 4.35Å; I24-N52 PolarHBondContact O-ND2 3.09Å; I24-A56 HydrophobicContact CB-CB 4.47Å; I24-I60 HydrophobicContact CD1-CD1 4.07Å; I24-I60 HydrophobicContact CD1-CG1 4.12Å; I24-F76 HydrophobicContact CD1-CZ 4.29Å; I24-L80 HydrophobicContact CD1-CD2 3.98Å; I24-L80 HydrophobicContact CG1-CD2 3.77Å; I24-L80 HydrophobicContact CG2-CD2 4.29Å; I24-A88 HydrophobicContact CG1-CB 3.74Å | ||
| 25 | K | 84.7 | Confident | 85 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | trans | -90.7 | 91 | 168.6 | -60.9 | 178.3 | -177.7 | 174.5 | 0 | 109.9 | D27 Q28 V29 S85 D141 | K25-D27 VanDerWaalsContact C-N 3.31Å; K25-D27 PolarHBondContact O-N 3.39Å; K25-Q28 HydrophobicContact CB-CB 4.4Å; K25-Q28 PolarHBondContact O-N 3.02Å; K25-V29 VanDerWaalsContact O-CG2 3.26Å; K25-V29 WeakPolarHBondContact O-CG2 3.25Å; K25-V29 PolarHBondContact O-N 3.21Å; K25-V29 VanDerWaalsContact O-N 3.1Å; K25-S85 WeakPolarHBondContact CB-OG 3.49Å; K25-S85 PolarHBondContact N-OG 3.37Å; K25-D141 IonicContact NZ-OD1 3.74Å; K25-D141 IonicContact NZ-OD2 2.72Å | ||
| 26 | V | 85.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | -168 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | I24 Q28 L30 I43 N52 A55 A56 L59 | I24-V26 HydrophobicContact CG2-CG2 4.08Å; I24-V26 PolarHBondContact O-N 3.3Å; V26-Q28 VanDerWaalsContact C-N 3.3Å; V26-Q28 PolarHBondContact O-N 2.91Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 PolarHBondContact O-N 2.91Å; V26-I43 HydrophobicContact CG1-CG2 3.46Å; V26-I43 VanDerWaalsContact CG1-CG2 3.46Å; V26-N52 PolarHBondContact N-OD1 3.16Å; V26-A55 HydrophobicContact CB-CB 4.46Å; V26-A55 HydrophobicContact CG1-CB 4.05Å; V26-A55 HydrophobicContact CG2-CB 4.24Å; V26-A56 VanDerWaalsContact CG2-CA 3.45Å; V26-A56 HydrophobicContact CG2-CB 3.61Å; V26-L59 HydrophobicContact CG1-CB 4.47Å; V26-L59 HydrophobicContact CG1-CD1 3.86Å |
| 27 | D | 80.3 | Confident | 84.3 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -30.8 | -178.8 | 63.1 | -37.9 | 0 | 0 | 0 | 114.7 | K25 Q31 L47 R144 R164 | K25-D27 VanDerWaalsContact C-N 3.31Å; K25-D27 PolarHBondContact O-N 3.39Å; D27-Q31 PolarHBondContact O-NE2 2.97Å; D27-Q31 VanDerWaalsContact O-NE2 3.14Å; D27-L47 HydrophobicContact CB-CD2 3.8Å; D27-R144 IonicContact OD2-CZ 3.86Å; D27-R144 IonicContact OD2-NE 3.89Å; D27-R144 IonicContact OD2-NH1 3.69Å; D27-R144 PolarHBondContact OD2-NH1 3.42Å; D27-R144 IonicContact OD2-NH2 3.6Å; D27-R144 PolarHBondContact OD2-NH2 2.97Å; D27-R164 IonicContact OD2-NH2 2.56Å |
| 28 | Q | 80.6 | Confident | 84 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -89.4 | -44.1 | 180 | -66.6 | 179.7 | 8.7 | 0 | 0 | 110.8 | K25 V26 L30 Q31 Y32 G83 D141 | K25-Q28 HydrophobicContact CB-CB 4.4Å; K25-Q28 PolarHBondContact O-N 3.02Å; V26-Q28 VanDerWaalsContact C-N 3.3Å; V26-Q28 PolarHBondContact O-N 2.91Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 3.46Å; Q28-Q31 WeakPolarHBondContact O-CB 3.29Å; Q28-Q31 PolarHBondContact O-N 3.19Å; Q28-Y32 VanDerWaalsContact O-CD2 3.26Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.44Å; Q28-G83 VanDerWaalsContact CB-O 3.24Å; Q28-G83 WeakPolarHBondContact CB-O 3.31Å; Q28-G83 PolarHBondContact OE1-O 3.45Å; Q28-D141 PolarHBondContact NE2-OD1 2.77Å |
| 29 | V | 84.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -36.7 | -179.2 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | I24 K25 Q31 Y32 L33 A79 L80 S85 | I24-V29 HydrophobicContact CG2-CG2 4.35Å; K25-V29 VanDerWaalsContact O-CG2 3.26Å; K25-V29 WeakPolarHBondContact O-CG2 3.25Å; K25-V29 PolarHBondContact O-N 3.21Å; K25-V29 VanDerWaalsContact O-N 3.1Å; V29-Q31 PolarHBondContact O-N 2.81Å; V29-Q31 VanDerWaalsContact O-N 3.11Å; V29-Y32 PolarHBondContact O-N 3.3Å; V29-Y32 VanDerWaalsContact O-N 3.08Å; V29-L33 PolarHBondContact O-N 2.93Å; V29-A79 HydrophobicContact CG1-CB 4.22Å; V29-L80 HydrophobicContact CG1-CD2 3.93Å; V29-L80 HydrophobicContact CG2-CD2 3.86Å; V29-S85 WeakPolarHBondContact CG2-OG 3.3Å |
| 30 | L | 85.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -19.6 | -179 | -165.2 | 69.8 | 0 | 0 | 0 | 113.9 | V26 Q28 L35 K40 I43 R44 L59 | V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 PolarHBondContact O-N 2.91Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 3.46Å; L30-L35 HydrophobicContact CD1-CD1 4.02Å; L30-K40 HydrophobicContact CD1-CB 4.48Å; L30-K40 HydrophobicContact CD1-CG 4.08Å; L30-K40 HydrophobicContact CD2-CB 4.27Å; L30-K40 HydrophobicContact CG-CB 4.44Å; L30-K40 HydrophobicContact CG-CD 4.42Å; L30-K40 HydrophobicContact CG-CG 4.25Å; L30-K40 PolarHBondContact O-NZ 3.47Å; L30-I43 HydrophobicContact CD1-CB 4.46Å; L30-I43 HydrophobicContact CD1-CD1 3.97Å; L30-I43 HydrophobicContact CD1-CG2 4.3Å; L30-I43 HydrophobicContact CD2-CB 4.34Å; L30-I43 HydrophobicContact CD2-CG2 4.17Å; L30-R44 HydrophobicContact CD2-CG 3.75Å; L30-L59 HydrophobicContact CB-CD1 4.47Å; L30-L59 HydrophobicContact CD1-CD1 4.03Å |
| 31 | Q | 82.3 | Confident | 83.7 | Confident | 112 Ų | 112 | 58.2 Ų | 58.2 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.3 | -34 | 176.8 | -59.4 | 179.5 | 36.5 | 0 | 0 | 111.9 | D27 Q28 V29 | D27-Q31 PolarHBondContact O-NE2 2.97Å; D27-Q31 VanDerWaalsContact O-NE2 3.14Å; Q28-Q31 WeakPolarHBondContact O-CB 3.29Å; Q28-Q31 PolarHBondContact O-N 3.19Å; V29-Q31 PolarHBondContact O-N 2.81Å; V29-Q31 VanDerWaalsContact O-N 3.11Å |
| 32 | Y | 83.8 | Confident | 83.6 | Confident | 120 Ų | 120 | 56.7 Ų | 56.7 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -94.4 | -11.8 | -177.8 | -58.3 | -75.2 | 0 | 0 | 0 | 113.1 | Q28 V29 H82 | Q28-Y32 VanDerWaalsContact O-CD2 3.26Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.44Å; V29-Y32 PolarHBondContact O-N 3.3Å; V29-Y32 VanDerWaalsContact O-N 3.08Å; Y32-H82 HydrophobicContact CD1-CB 3.97Å; Y32-H82 HydrophobicContact CD2-CB 4.09Å; Y32-H82 HydrophobicContact CE1-CB 4.1Å; Y32-H82 HydrophobicContact CE2-CB 4.23Å; Y32-H82 WeakPolarHBondContact CE2-O 3.47Å; Y32-H82 HydrophobicContact CG-CB 3.96Å |
| 33 | L | 84.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -89.1 | 130 | 179.5 | -155.8 | 78.6 | 0 | 0 | 0 | 111.7 | V29 L35 K40 V63 F76 A79 | V29-L33 PolarHBondContact O-N 2.93Å; L33-L35 HydrophobicContact CD2-CD1 3.51Å; L33-L35 HydrophobicContact CD2-CD2 3.94Å; L33-L35 HydrophobicContact CD2-CG 3.54Å; L33-L35 HydrophobicContact CG-CG 4.1Å; L33-L35 PolarHBondContact O-N 3.38Å; L33-K40 WeakPolarHBondContact O-CE 3.37Å; L33-K40 PolarHBondContact O-NZ 3.41Å; L33-V63 HydrophobicContact CD1-CG2 4.31Å; L33-V63 HydrophobicContact CD2-CG2 3.48Å; L33-V63 VanDerWaalsContact CD2-CG2 3.48Å; L33-V63 HydrophobicContact CG-CG2 4.47Å; L33-F76 HydrophobicContact CD1-CB 4.42Å; L33-F76 HydrophobicContact CD1-CD2 3.81Å; L33-A79 HydrophobicContact CB-CB 4.46Å; L33-A79 HydrophobicContact CD1-CB 3.87Å |
| 34 | H | 81.2 | Confident | 83.7 | Confident | 192 Ų | 192 | 57.1 Ų | 57.1 | 89% | 0.889 | 29% | 0.289 | S | S | * | . | trans | -86 | 88.5 | 175.7 | -67.3 | -60.8 | 0 | 0 | 0 | 111.4 | ||||
| 35 | L | 82.3 | Confident | 83.6 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | trans | -114.6 | 157.1 | 172.4 | -62.5 | -179.9 | 0 | 0 | 0 | 111.5 | L30 L33 K40 I43 A62 | L30-L35 HydrophobicContact CD1-CD1 4.02Å; L33-L35 HydrophobicContact CD2-CD1 3.51Å; L33-L35 HydrophobicContact CD2-CD2 3.94Å; L33-L35 HydrophobicContact CD2-CG 3.54Å; L33-L35 HydrophobicContact CG-CG 4.1Å; L33-L35 PolarHBondContact O-N 3.38Å; L35-K40 HydrophobicContact CB-CG 3.81Å; L35-K40 WeakPolarHBondContact O-CE 3.34Å; L35-I43 HydrophobicContact CD1-CD1 3.83Å; L35-A62 HydrophobicContact CD1-CB 4.34Å | ||
| 36 | E | 82.1 | Confident | 83.7 | Confident | 138 Ų | 138 | 65.7 Ų | 65.7 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | trans | -55.7 | 142.4 | 172.1 | -64.9 | -176.9 | 165.4 | 0 | 0 | 111.7 | G38 R39 K40 | E36-G38 VanDerWaalsContact C-N 3.28Å; E36-G38 PolarHBondContact O-N 3.05Å; E36-R39 HydrophobicContact CB-CG 4.44Å; E36-R39 PolarHBondContact O-N 3.12Å; E36-R39 IonicContact OE2-NE 3.01Å; E36-K40 PolarHBondContact O-N 3.28Å | ||
| 37 | S | 77.3 | Confident | 83.7 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.4 | -39.5 | -174.4 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | K40 E41 | S37-K40 PolarHBondContact O-N 3.38Å; S37-E41 PolarHBondContact O-N 3.19Å |
| 38 | G | 80.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E36 E41 A42 | E36-G38 VanDerWaalsContact C-N 3.28Å; E36-G38 PolarHBondContact O-N 3.05Å; G38-E41 PolarHBondContact O-N 3.28Å; G38-A42 PolarHBondContact O-N 2.93Å |
| 39 | R | 83.1 | Confident | 83.5 | Confident | 86 Ų | 86 | 77 Ų | 77 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.2 | -40.2 | 177.6 | -68.1 | -175.5 | 179.6 | -157.9 | -5.7 | 111.9 | E36 E41 A42 I43 E65 | E36-R39 HydrophobicContact CB-CG 4.44Å; E36-R39 PolarHBondContact O-N 3.12Å; E36-R39 IonicContact OE2-NE 3.01Å; R39-E41 PolarHBondContact O-N 2.85Å; R39-A42 PolarHBondContact O-N 2.86Å; R39-I43 VanDerWaalsContact O-CG1 3.32Å; R39-I43 WeakPolarHBondContact O-CG1 3.3Å; R39-I43 PolarHBondContact O-N 3.09Å; R39-E65 IonicContact CZ-OE1 2.79Å; R39-E65 IonicContact CZ-OE2 3.66Å; R39-E65 VanDerWaalsContact NH1-CD 3.34Å; R39-E65 IonicContact NH1-OE1 3.17Å; R39-E65 IonicContact NH1-OE2 2.8Å; R39-E65 PolarHBondContact NH1-OE2 3.08Å; R39-E65 IonicContact NH2-OE1 3.31Å; R39-E65 PolarHBondContact NH2-OE1 3.49Å; R39-E65 IonicContact NH2-OE2 3.71Å; R39-E65 PolarHBondContact NH2-OE2 3.48Å |
| 40 | K | 85.4 | Confident | 83.3 | Confident | 35 Ų | 35 | 82 Ų | 82 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 172.6 | -68.6 | -163.4 | 177 | -157 | 0 | 111.2 | L30 L33 L35 E36 S37 I43 R44 | L30-K40 HydrophobicContact CD1-CB 4.48Å; L30-K40 HydrophobicContact CD1-CG 4.08Å; L30-K40 HydrophobicContact CD2-CB 4.27Å; L30-K40 HydrophobicContact CG-CB 4.44Å; L30-K40 HydrophobicContact CG-CD 4.42Å; L30-K40 HydrophobicContact CG-CG 4.25Å; L30-K40 PolarHBondContact O-NZ 3.47Å; L33-K40 WeakPolarHBondContact O-CE 3.37Å; L33-K40 PolarHBondContact O-NZ 3.41Å; L35-K40 HydrophobicContact CB-CG 3.81Å; L35-K40 WeakPolarHBondContact O-CE 3.34Å; E36-K40 PolarHBondContact O-N 3.28Å; S37-K40 PolarHBondContact O-N 3.38Å; K40-I43 PolarHBondContact O-N 3.32Å; K40-R44 WeakPolarHBondContact O-CG 3.48Å; K40-R44 PolarHBondContact O-N 3.4Å |
| 41 | E | 85 | Confident | 82.9 | Confident | 105 Ų | 105 | 83.3 Ų | 83.3 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70 | -39.3 | 179.8 | -159.2 | 57.6 | -156.6 | 0 | 0 | 112.3 | S37 G38 R39 I43 R44 Q45 | S37-E41 PolarHBondContact O-N 3.19Å; G38-E41 PolarHBondContact O-N 3.28Å; R39-E41 PolarHBondContact O-N 2.85Å; E41-I43 VanDerWaalsContact C-N 3.35Å; E41-I43 PolarHBondContact O-N 3.18Å; E41-R44 PolarHBondContact O-N 3.5Å; E41-R44 IonicContact OE2-NH1 2.95Å; E41-R44 PolarHBondContact OE2-NH1 2.86Å; E41-R44 VanDerWaalsContact OE2-NH1 3.11Å; E41-Q45 WeakPolarHBondContact O-CB 3.35Å; E41-Q45 PolarHBondContact O-N 3.37Å |
| 42 | A | 86.7 | Confident | 83 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | G38 R39 Q45 K46 | G38-A42 PolarHBondContact O-N 2.93Å; R39-A42 PolarHBondContact O-N 2.86Å; A42-Q45 PolarHBondContact O-N 3.35Å; A42-K46 WeakPolarHBondContact O-CB 3.3Å; A42-K46 PolarHBondContact O-N 3.22Å |
| 43 | I | 88.2 | Confident | 83 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 176.2 | -65.7 | 163.8 | 0 | 0 | 0 | 111.1 | V26 L30 L35 R39 K40 E41 K46 L47 L58 L59 A62 | V26-I43 HydrophobicContact CG1-CG2 3.46Å; V26-I43 VanDerWaalsContact CG1-CG2 3.46Å; L30-I43 HydrophobicContact CD1-CB 4.46Å; L30-I43 HydrophobicContact CD1-CD1 3.97Å; L30-I43 HydrophobicContact CD1-CG2 4.3Å; L30-I43 HydrophobicContact CD2-CB 4.34Å; L30-I43 HydrophobicContact CD2-CG2 4.17Å; L35-I43 HydrophobicContact CD1-CD1 3.83Å; R39-I43 VanDerWaalsContact O-CG1 3.32Å; R39-I43 WeakPolarHBondContact O-CG1 3.3Å; R39-I43 PolarHBondContact O-N 3.09Å; K40-I43 PolarHBondContact O-N 3.32Å; E41-I43 VanDerWaalsContact C-N 3.35Å; E41-I43 PolarHBondContact O-N 3.18Å; I43-K46 PolarHBondContact O-N 3.1Å; I43-L47 WeakPolarHBondContact O-CB 3.35Å; I43-L47 PolarHBondContact O-N 3.04Å; I43-L58 HydrophobicContact CG1-CB 4.48Å; I43-L58 HydrophobicContact CG1-CD2 3.96Å; I43-L58 HydrophobicContact CG1-CG 4.07Å; I43-L59 HydrophobicContact CD1-CB 4.21Å; I43-L59 HydrophobicContact CG2-CB 4.29Å; I43-A62 HydrophobicContact CD1-CB 4.26Å |
| 44 | R | 85.3 | Confident | 83.1 | Confident | 108 Ų | 108 | 78.2 Ų | 78.2 | 41% | 0.408 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 174.3 | -74.2 | -178.6 | -171.7 | 137.3 | -3.3 | 112.5 | L30 K40 E41 L47 N48 | L30-R44 HydrophobicContact CD2-CG 3.75Å; K40-R44 WeakPolarHBondContact O-CG 3.48Å; K40-R44 PolarHBondContact O-N 3.4Å; E41-R44 PolarHBondContact O-N 3.5Å; E41-R44 IonicContact OE2-NH1 2.95Å; E41-R44 PolarHBondContact OE2-NH1 2.86Å; E41-R44 VanDerWaalsContact OE2-NH1 3.11Å; R44-L47 WeakPolarHBondContact O-CB 3.47Å; R44-L47 PolarHBondContact O-N 2.83Å; R44-N48 VanDerWaalsContact O-CG 3.31Å; R44-N48 PolarHBondContact O-N 3.41Å; R44-N48 PolarHBondContact O-ND2 2.8Å |
| 45 | Q | 85.5 | Confident | 83.4 | Confident | 129 Ų | 129 | 69 Ų | 69 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 176.4 | -171.7 | 178.6 | 5.9 | 0 | 0 | 110.4 | E41 A42 L47 N48 T49 | E41-Q45 WeakPolarHBondContact O-CB 3.35Å; E41-Q45 PolarHBondContact O-N 3.37Å; A42-Q45 PolarHBondContact O-N 3.35Å; Q45-L47 VanDerWaalsContact C-N 3.28Å; Q45-L47 PolarHBondContact O-N 3.21Å; Q45-N48 PolarHBondContact O-N 3.05Å; Q45-N48 VanDerWaalsContact O-N 3.07Å; Q45-T49 HydrophobicContact CG-CG2 4.45Å; Q45-T49 PolarHBondContact O-N 3.44Å; Q45-T49 PolarHBondContact O-OG1 3Å; Q45-T49 VanDerWaalsContact O-OG1 3.05Å |
| 46 | K | 87.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.9 | -42.1 | 175.1 | -165.7 | 87.5 | 169.7 | 164 | 0 | 111.7 | A42 I43 N48 T49 E50 G51 A55 L58 | A42-K46 WeakPolarHBondContact O-CB 3.3Å; A42-K46 PolarHBondContact O-N 3.22Å; I43-K46 PolarHBondContact O-N 3.1Å; K46-N48 VanDerWaalsContact C-N 3.35Å; K46-N48 PolarHBondContact O-N 3.44Å; K46-T49 PolarHBondContact O-N 2.89Å; K46-E50 WeakPolarHBondContact CE-OE2 3.33Å; K46-E50 VanDerWaalsContact NZ-CD 3.25Å; K46-E50 IonicContact NZ-OE1 2.75Å; K46-E50 PolarHBondContact NZ-OE1 3.42Å; K46-E50 IonicContact NZ-OE2 3.92Å; K46-E50 PolarHBondContact NZ-OE2 2.9Å; K46-E50 PolarHBondContact O-N 2.86Å; K46-G51 PolarHBondContact O-N 2.85Å; K46-A55 HydrophobicContact CB-CB 4.36Å; K46-A55 HydrophobicContact CG-CB 4.34Å; K46-L58 HydrophobicContact CB-CD2 3.96Å; K46-L58 HydrophobicContact CD-CD2 4.06Å; K46-L58 HydrophobicContact CG-CB 4.46Å; K46-L58 HydrophobicContact CG-CD2 3.99Å |
| 47 | L | 84.4 | Confident | 84.1 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.9 | 178.4 | 65.5 | 0 | 0 | 0 | 112 | D27 I43 R44 Q45 G51 N52 A55 | D27-L47 HydrophobicContact CB-CD2 3.8Å; I43-L47 WeakPolarHBondContact O-CB 3.35Å; I43-L47 PolarHBondContact O-N 3.04Å; R44-L47 WeakPolarHBondContact O-CB 3.47Å; R44-L47 PolarHBondContact O-N 2.83Å; Q45-L47 VanDerWaalsContact C-N 3.28Å; Q45-L47 PolarHBondContact O-N 3.21Å; L47-G51 WeakPolarHBondContact O-CA 3.34Å; L47-G51 PolarHBondContact O-N 3.21Å; L47-N52 VanDerWaalsContact CD1-CA 3.45Å; L47-N52 HydrophobicContact CD1-CB 3.84Å; L47-A55 HydrophobicContact CB-CB 3.72Å; L47-A55 HydrophobicContact CD1-CB 4.08Å |
| 48 | N | 78.4 | Confident | 84.6 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.2 | -30.5 | -178.8 | -68.2 | -23.4 | 0 | 0 | 0 | 113.3 | R44 Q45 K46 | R44-N48 VanDerWaalsContact O-CG 3.31Å; R44-N48 PolarHBondContact O-N 3.41Å; R44-N48 PolarHBondContact O-ND2 2.8Å; Q45-N48 PolarHBondContact O-N 3.05Å; Q45-N48 VanDerWaalsContact O-N 3.07Å; K46-N48 VanDerWaalsContact C-N 3.35Å; K46-N48 PolarHBondContact O-N 3.44Å |
| 49 | T | 78.9 | Confident | 85.1 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 60% | 0.601 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -95.2 | -38.7 | -175.8 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | Q45 K46 | Q45-T49 HydrophobicContact CG-CG2 4.45Å; Q45-T49 PolarHBondContact O-N 3.44Å; Q45-T49 PolarHBondContact O-OG1 3Å; Q45-T49 VanDerWaalsContact O-OG1 3.05Å; K46-T49 PolarHBondContact O-N 2.89Å |
| 50 | E | 81.1 | Confident | 85.4 | Confident | 105 Ų | 105 | 54.4 Ų | 54.4 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -120.4 | -3.6 | -170 | -64.4 | 177.1 | -141.2 | 0 | 0 | 113.5 | K46 S54 | K46-E50 WeakPolarHBondContact CE-OE2 3.33Å; K46-E50 VanDerWaalsContact NZ-CD 3.25Å; K46-E50 IonicContact NZ-OE1 2.75Å; K46-E50 PolarHBondContact NZ-OE1 3.42Å; K46-E50 IonicContact NZ-OE2 3.92Å; K46-E50 PolarHBondContact NZ-OE2 2.9Å; K46-E50 PolarHBondContact O-N 2.86Å; E50-S54 PolarHBondContact O-OG 3.42Å |
| 51 | G | 78.3 | Confident | 85.5 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | trans | 89.5 | 172.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K46 L47 E53 S54 A55 | K46-G51 PolarHBondContact O-N 2.85Å; L47-G51 WeakPolarHBondContact O-CA 3.34Å; L47-G51 PolarHBondContact O-N 3.21Å; G51-E53 PolarHBondContact O-N 3.45Å; G51-S54 PolarHBondContact O-N 3.43Å; G51-A55 WeakPolarHBondContact O-CB 3.46Å; G51-A55 PolarHBondContact O-N 3.23Å; G51-A55 VanDerWaalsContact O-N 3.15Å | ||
| 52 | N | 82.8 | Confident | 85.6 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | -169.2 | -175.2 | 82.9 | 0 | 0 | 0 | 114 | I24 V26 L47 A55 A56 | I24-N52 PolarHBondContact O-ND2 3.09Å; V26-N52 PolarHBondContact N-OD1 3.16Å; L47-N52 VanDerWaalsContact CD1-CA 3.45Å; L47-N52 HydrophobicContact CD1-CB 3.84Å; N52-A55 PolarHBondContact O-N 2.98Å; N52-A56 VanDerWaalsContact O-CB 3.29Å; N52-A56 WeakPolarHBondContact O-CB 3.32Å; N52-A56 PolarHBondContact O-N 2.73Å |
| 53 | E | 84.8 | Confident | 85.6 | Confident | 82 Ų | 82 | 49 Ų | 49 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -49.7 | 179.9 | -79.7 | -164.4 | -168.1 | 0 | 0 | 112.6 | R21 G51 A55 A56 D57 | R21-E53 HydrophobicContact CG-CB 4.02Å; R21-E53 HydrophobicContact CG-CG 4.2Å; R21-E53 IonicContact CZ-OE2 3.39Å; R21-E53 IonicContact NE-OE2 3.45Å; R21-E53 PolarHBondContact NE-OE2 3.34Å; R21-E53 IonicContact NH2-OE2 2.7Å; R21-E53 PolarHBondContact NH2-OE2 2.59Å; G51-E53 PolarHBondContact O-N 3.45Å; E53-A55 PolarHBondContact O-N 3.25Å; E53-A56 WeakPolarHBondContact O-CB 3.49Å; E53-A56 PolarHBondContact O-N 2.89Å; E53-A56 VanDerWaalsContact O-N 3.12Å; E53-D57 PolarHBondContact O-N 2.97Å |
| 54 | S | 86.3 | Confident | 85.5 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -32.6 | 176.6 | -56.4 | 0 | 0 | 0 | 0 | 112 | E50 G51 L58 | E50-S54 PolarHBondContact O-OG 3.42Å; G51-S54 PolarHBondContact O-N 3.43Å; S54-L58 PolarHBondContact O-N 3.5Å |
| 55 | A | 87.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.8 | -32.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | V26 K46 L47 G51 N52 E53 L58 L59 | V26-A55 HydrophobicContact CB-CB 4.46Å; V26-A55 HydrophobicContact CG1-CB 4.05Å; V26-A55 HydrophobicContact CG2-CB 4.24Å; K46-A55 HydrophobicContact CB-CB 4.36Å; K46-A55 HydrophobicContact CG-CB 4.34Å; L47-A55 HydrophobicContact CB-CB 3.72Å; L47-A55 HydrophobicContact CD1-CB 4.08Å; G51-A55 WeakPolarHBondContact O-CB 3.46Å; G51-A55 PolarHBondContact O-N 3.23Å; G51-A55 VanDerWaalsContact O-N 3.15Å; N52-A55 PolarHBondContact O-N 2.98Å; E53-A55 PolarHBondContact O-N 3.25Å; A55-L58 PolarHBondContact O-N 3.2Å; A55-L59 WeakPolarHBondContact O-CB 3.48Å; A55-L59 PolarHBondContact O-N 3.3Å |
| 56 | A | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R21 I24 V26 N52 E53 L58 L59 I60 | R21-A56 HydrophobicContact CG-CB 4.48Å; I24-A56 HydrophobicContact CB-CB 4.47Å; V26-A56 VanDerWaalsContact CG2-CA 3.45Å; V26-A56 HydrophobicContact CG2-CB 3.61Å; N52-A56 VanDerWaalsContact O-CB 3.29Å; N52-A56 WeakPolarHBondContact O-CB 3.32Å; N52-A56 PolarHBondContact O-N 2.73Å; E53-A56 WeakPolarHBondContact O-CB 3.49Å; E53-A56 PolarHBondContact O-N 2.89Å; E53-A56 VanDerWaalsContact O-N 3.12Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.04Å; A56-L59 PolarHBondContact O-N 3.31Å; A56-I60 WeakPolarHBondContact O-CB 3.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.24Å; A56-I60 PolarHBondContact O-N 2.96Å |
| 57 | D | 89.1 | Confident | 84.9 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 172.8 | -79.4 | -22.5 | 0 | 0 | 0 | 112.1 | R21 E53 I60 G61 | R21-D57 WeakPolarHBondContact CD-OD1 3.48Å; R21-D57 WeakPolarHBondContact CD-OD2 3.32Å; R21-D57 IonicContact CZ-OD2 3.64Å; R21-D57 IonicContact NE-OD2 2.78Å; R21-D57 IonicContact NH1-OD2 3.22Å; R21-D57 PolarHBondContact NH1-OD2 3.45Å; E53-D57 PolarHBondContact O-N 2.97Å; D57-I60 PolarHBondContact O-N 3.49Å; D57-G61 PolarHBondContact O-N 3.08Å |
| 58 | L | 88.9 | Confident | 84.7 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 177.3 | -167.4 | 65 | 0 | 0 | 0 | 112 | I43 K46 S54 A55 A56 G61 A62 | I43-L58 HydrophobicContact CG1-CB 4.48Å; I43-L58 HydrophobicContact CG1-CD2 3.96Å; I43-L58 HydrophobicContact CG1-CG 4.07Å; K46-L58 HydrophobicContact CB-CD2 3.96Å; K46-L58 HydrophobicContact CD-CD2 4.06Å; K46-L58 HydrophobicContact CG-CB 4.46Å; K46-L58 HydrophobicContact CG-CD2 3.99Å; S54-L58 PolarHBondContact O-N 3.5Å; A55-L58 PolarHBondContact O-N 3.2Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.04Å; L58-G61 PolarHBondContact O-N 3.37Å; L58-A62 WeakPolarHBondContact O-CB 3.3Å; L58-A62 PolarHBondContact O-N 3.48Å |
| 59 | L | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -46 | 175.7 | -178.5 | 147 | 0 | 0 | 0 | 111.6 | V26 L30 I43 A55 A56 G61 A62 V63 F76 | V26-L59 HydrophobicContact CG1-CB 4.47Å; V26-L59 HydrophobicContact CG1-CD1 3.86Å; L30-L59 HydrophobicContact CB-CD1 4.47Å; L30-L59 HydrophobicContact CD1-CD1 4.03Å; I43-L59 HydrophobicContact CD1-CB 4.21Å; I43-L59 HydrophobicContact CG2-CB 4.29Å; A55-L59 WeakPolarHBondContact O-CB 3.48Å; A55-L59 PolarHBondContact O-N 3.3Å; A56-L59 PolarHBondContact O-N 3.31Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-G61 PolarHBondContact O-N 3.28Å; L59-A62 PolarHBondContact O-N 2.88Å; L59-V63 HydrophobicContact CD2-CG2 4.39Å; L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.26Å; L59-V63 PolarHBondContact O-N 2.98Å; L59-F76 HydrophobicContact CD2-CE2 3.73Å; L59-F76 HydrophobicContact CD2-CZ 4.15Å |
| 60 | I | 90.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176 | -68.4 | 165.5 | 0 | 0 | 0 | 109.7 | I13 K17 L20 I24 A56 D57 A62 V63 V64 | I13-I60 HydrophobicContact CG2-CG2 3.46Å; I13-I60 VanDerWaalsContact CG2-CG2 3.46Å; K17-I60 HydrophobicContact CG-CD1 4.33Å; K17-I60 HydrophobicContact CG-CG2 4.39Å; L20-I60 HydrophobicContact CB-CD1 3.85Å; I24-I60 HydrophobicContact CD1-CD1 4.07Å; I24-I60 HydrophobicContact CD1-CG1 4.12Å; A56-I60 WeakPolarHBondContact O-CB 3.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.24Å; A56-I60 PolarHBondContact O-N 2.96Å; D57-I60 PolarHBondContact O-N 3.49Å; I60-A62 VanDerWaalsContact C-N 3.34Å; I60-A62 PolarHBondContact O-N 2.99Å; I60-V63 PolarHBondContact O-N 3.14Å; I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 VanDerWaalsContact O-CG2 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.45Å; I60-V64 PolarHBondContact O-N 3.41Å; I60-V64 VanDerWaalsContact O-N 3.08Å |
| 61 | G | 87.6 | Confident | 84.7 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D57 L58 L59 V63 V64 E65 | D57-G61 PolarHBondContact O-N 3.08Å; L58-G61 PolarHBondContact O-N 3.37Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-G61 PolarHBondContact O-N 3.28Å; G61-V63 VanDerWaalsContact C-N 3.33Å; G61-V63 PolarHBondContact O-N 3.3Å; G61-V64 PolarHBondContact O-N 3.34Å; G61-E65 PolarHBondContact O-N 3.13Å |
| 62 | A | 86.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L35 I43 L58 L59 I60 | L35-A62 HydrophobicContact CD1-CB 4.34Å; I43-A62 HydrophobicContact CD1-CB 4.26Å; L58-A62 WeakPolarHBondContact O-CB 3.3Å; L58-A62 PolarHBondContact O-N 3.48Å; L59-A62 PolarHBondContact O-N 2.88Å; I60-A62 VanDerWaalsContact C-N 3.34Å; I60-A62 PolarHBondContact O-N 2.99Å |
| 63 | V | 86.3 | Confident | 85.4 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.4 | -34 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | L33 L59 I60 G61 E65 W72 F76 | L33-V63 HydrophobicContact CD1-CG2 4.31Å; L33-V63 HydrophobicContact CD2-CG2 3.48Å; L33-V63 VanDerWaalsContact CD2-CG2 3.48Å; L33-V63 HydrophobicContact CG-CG2 4.47Å; L59-V63 HydrophobicContact CD2-CG2 4.39Å; L59-V63 VanDerWaalsContact O-CG2 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.26Å; L59-V63 PolarHBondContact O-N 2.98Å; I60-V63 PolarHBondContact O-N 3.14Å; G61-V63 VanDerWaalsContact C-N 3.33Å; G61-V63 PolarHBondContact O-N 3.3Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-W72 HydrophobicContact CG1-CE3 3.88Å; V63-W72 HydrophobicContact CG1-CZ3 3.85Å; V63-F76 HydrophobicContact CG1-CB 4.04Å; V63-F76 HydrophobicContact CG1-CD1 3.79Å; V63-F76 HydrophobicContact CG1-CD2 4.12Å; V63-F76 HydrophobicContact CG1-CE1 4.22Å; V63-F76 HydrophobicContact CG1-CG 3.72Å; V63-F76 HydrophobicContact CG2-CD2 4Å; V63-F76 HydrophobicContact CG2-CE2 4.09Å; V63-F76 HydrophobicContact CG2-CG 4.44Å |
| 64 | V | 86.7 | Confident | 85.5 | Confident | 29 Ų | 29 | 52 Ų | 52 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -83.3 | -11 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | E10 I13 I60 G61 H68 | E10-V64 HydrophobicContact CB-CG1 4.34Å; E10-V64 HydrophobicContact CG-CG1 4.12Å; I13-V64 HydrophobicContact CB-CG2 4.15Å; I13-V64 HydrophobicContact CD1-CG2 3.97Å; I13-V64 HydrophobicContact CG2-CG2 3.7Å; I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 VanDerWaalsContact O-CG2 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.45Å; I60-V64 PolarHBondContact O-N 3.41Å; I60-V64 VanDerWaalsContact O-N 3.08Å; G61-V64 PolarHBondContact O-N 3.34Å; V64-H68 PolarHBondContact O-CE1 2.92Å; V64-H68 PolarHBondContact O-NE2 2.91Å |
| 65 | E | 84 | Confident | 85.6 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 133.9 | -178.1 | -160.9 | -178.2 | 155.6 | 0 | 0 | 113.5 | R39 G61 V63 | R39-E65 IonicContact CZ-OE1 2.79Å; R39-E65 IonicContact CZ-OE2 3.66Å; R39-E65 VanDerWaalsContact NH1-CD 3.34Å; R39-E65 IonicContact NH1-OE1 3.17Å; R39-E65 IonicContact NH1-OE2 2.8Å; R39-E65 PolarHBondContact NH1-OE2 3.08Å; R39-E65 IonicContact NH2-OE1 3.31Å; R39-E65 PolarHBondContact NH2-OE1 3.49Å; R39-E65 IonicContact NH2-OE2 3.71Å; R39-E65 PolarHBondContact NH2-OE2 3.48Å; G61-E65 PolarHBondContact O-N 3.13Å; V63-E65 VanDerWaalsContact C-N 3.33Å |
| 66 | R | 81.1 | Confident | 85.7 | Confident | 124 Ų | 124 | 53.2 Ų | 53.2 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -83.2 | 148.9 | 179.5 | -70.8 | -178.4 | -177.9 | -169.9 | 6.8 | 111.9 | E10 H68 | E10-R66 VanDerWaalsContact CD-NH2 3.3Å; E10-R66 IonicContact OE1-CZ 2.76Å; E10-R66 VanDerWaalsContact OE1-CZ 3.31Å; E10-R66 IonicContact OE1-NE 3.03Å; E10-R66 PolarHBondContact OE1-NE 3.21Å; E10-R66 IonicContact OE1-NH2 3.84Å; E10-R66 PolarHBondContact OE1-NH2 3.07Å; E10-R66 IonicContact OE2-CZ 2.76Å; E10-R66 IonicContact OE2-NE 2.72Å; E10-R66 IonicContact OE2-NH2 3.6Å; E10-R66 PolarHBondContact OE2-NH2 3.49Å; R66-H68 WeakPolarHBondContact CG-CE1 3.48Å |
| 67 | P | 79.5 | Confident | 85.7 | Confident | 124 Ų | 124 | 53.2 Ų | 53.2 | 81% | 0.805 | 31% | 0.306 | S | S | * | . | S | Bend | cis | -85.7 | 138.9 | 2.2 | 32.8 | -33.5 | 0 | 0 | 0 | 113.4 | ||
| 68 | H | 80.8 | Confident | 85.6 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 137.7 | -179.8 | -56.5 | 84.4 | 0 | 0 | 0 | 113.3 | E10 V64 R66 W72 | E10-H68 IonicContact OE1-CE1 2.81Å; E10-H68 PolarHBondContact OE1-CE1 3.1Å; E10-H68 IonicContact OE1-ND1 2.67Å; E10-H68 IonicContact OE1-NE2 3.02Å; V64-H68 PolarHBondContact O-CE1 2.92Å; V64-H68 PolarHBondContact O-NE2 2.91Å; R66-H68 WeakPolarHBondContact CG-CE1 3.48Å; H68-W72 HydrophobicContact CB-CB 4.21Å; H68-W72 HydrophobicContact CB-CD2 4.17Å; H68-W72 HydrophobicContact CB-CG 3.64Å; H68-W72 AromaticContact CD2-CD2 3.41Å; H68-W72 VanDerWaalsContact CD2-CD2 3.41Å; H68-W72 AromaticContact CD2-CE2 3.44Å; H68-W72 VanDerWaalsContact CD2-CE2 3.44Å; H68-W72 AromaticContact CD2-CE3 3.81Å; H68-W72 AromaticContact CD2-CG 3.8Å; H68-W72 AromaticContact CD2-CZ2 3.84Å; H68-W72 AromaticContact CD2-NE1 3.82Å; H68-W72 AromaticContact CG-CD1 3.84Å; H68-W72 AromaticContact CG-CD2 3.99Å; H68-W72 AromaticContact CG-CE2 3.79Å; H68-W72 AromaticContact CG-NE1 3.68Å; H68-W72 AromaticContact NE2-CZ2 4Å |
| 69 | P | 79.1 | Confident | 85.5 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 153.4 | 168.5 | 25.4 | -29.6 | 0 | 0 | 0 | 111.5 | G71 W72 | P69-G71 PolarHBondContact O-N 3.37Å; P69-W72 HydrophobicContact CG-CB 3.87Å; P69-W72 VanDerWaalsContact O-CB 3.29Å; P69-W72 WeakPolarHBondContact O-CB 3.26Å; P69-W72 PolarHBondContact O-N 3.01Å |
| 70 | V | 78.4 | Confident | 85.4 | Confident | 162 Ų | 162 | 50.4 Ų | 50.4 | 98% | 0.982 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 124.5 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 71 | G | 80.1 | Confident | 85.1 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 14.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | P69 F73 R74 A75 | P69-G71 PolarHBondContact O-N 3.37Å; G71-F73 VanDerWaalsContact C-N 3.27Å; G71-F73 PolarHBondContact O-N 3.4Å; G71-R74 PolarHBondContact O-N 3.18Å; G71-A75 PolarHBondContact O-N 3.02Å |
| 72 | W | 87.8 | Confident | 84.8 | Confident | 16 Ų | 16 | 57.2 Ų | 57.2 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -48.6 | -43.8 | -179.5 | 69.8 | -82.4 | 0 | 0 | 0 | 113.9 | D6 L9 E10 I13 V63 H68 P69 R74 A75 F76 | D6-W72 PolarHBondContact OD1-NE1 2.5Å; L9-W72 HydrophobicContact CB-CH2 4.27Å; L9-W72 HydrophobicContact CB-CZ2 3.92Å; E10-W72 HydrophobicContact CG-CH2 4.43Å; E10-W72 HydrophobicContact CG-CZ2 4.39Å; I13-W72 HydrophobicContact CD1-CH2 3.73Å; I13-W72 HydrophobicContact CD1-CZ3 3.6Å; V63-W72 HydrophobicContact CG1-CE3 3.88Å; V63-W72 HydrophobicContact CG1-CZ3 3.85Å; H68-W72 HydrophobicContact CB-CB 4.21Å; H68-W72 HydrophobicContact CB-CD2 4.17Å; H68-W72 HydrophobicContact CB-CG 3.64Å; H68-W72 AromaticContact CD2-CD2 3.41Å; H68-W72 VanDerWaalsContact CD2-CD2 3.41Å; H68-W72 AromaticContact CD2-CE2 3.44Å; H68-W72 VanDerWaalsContact CD2-CE2 3.44Å; H68-W72 AromaticContact CD2-CE3 3.81Å; H68-W72 AromaticContact CD2-CG 3.8Å; H68-W72 AromaticContact CD2-CZ2 3.84Å; H68-W72 AromaticContact CD2-NE1 3.82Å; H68-W72 AromaticContact CG-CD1 3.84Å; H68-W72 AromaticContact CG-CD2 3.99Å; H68-W72 AromaticContact CG-CE2 3.79Å; H68-W72 AromaticContact CG-NE1 3.68Å; H68-W72 AromaticContact NE2-CZ2 4Å; P69-W72 HydrophobicContact CG-CB 3.87Å; P69-W72 VanDerWaalsContact O-CB 3.29Å; P69-W72 WeakPolarHBondContact O-CB 3.26Å; P69-W72 PolarHBondContact O-N 3.01Å; W72-R74 PolarHBondContact O-N 3.08Å; W72-A75 PolarHBondContact O-N 2.66Å; W72-F76 WeakPolarHBondContact O-CB 3.49Å; W72-F76 PolarHBondContact O-N 3.21Å |
| 73 | F | 88.2 | Confident | 84.3 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | -178 | -177 | -96.1 | 0 | 0 | 0 | 111.3 | L9 I13 G71 F76 V77 L92 | L9-F73 HydrophobicContact CB-CD2 3.91Å; L9-F73 HydrophobicContact CB-CE2 4.29Å; L9-F73 HydrophobicContact CB-CG 4.32Å; L9-F73 HydrophobicContact CD1-CB 3.81Å; L9-F73 HydrophobicContact CD1-CD1 4.24Å; L9-F73 HydrophobicContact CD1-CD2 4.32Å; L9-F73 HydrophobicContact CD1-CG 3.87Å; L9-F73 HydrophobicContact CD2-CD1 3.82Å; L9-F73 HydrophobicContact CD2-CD2 3.94Å; L9-F73 HydrophobicContact CD2-CE1 3.78Å; L9-F73 HydrophobicContact CD2-CE2 3.89Å; L9-F73 HydrophobicContact CD2-CG 3.89Å; L9-F73 HydrophobicContact CD2-CZ 3.81Å; L9-F73 HydrophobicContact CG-CD2 4.26Å; L9-F73 HydrophobicContact CG-CG 4.23Å; I13-F73 HydrophobicContact CD1-CD2 4.03Å; I13-F73 HydrophobicContact CD1-CE2 4.04Å; I13-F73 HydrophobicContact CG1-CE2 4.08Å; G71-F73 VanDerWaalsContact C-N 3.27Å; G71-F73 PolarHBondContact O-N 3.4Å; F73-F76 PolarHBondContact O-N 3.16Å; F73-V77 HydrophobicContact CD1-CG2 4.29Å; F73-V77 HydrophobicContact CE1-CG2 3.92Å; F73-V77 HydrophobicContact CZ-CG2 4.19Å; F73-V77 WeakPolarHBondContact O-CG2 3.38Å; F73-V77 PolarHBondContact O-N 3.48Å; F73-L92 HydrophobicContact CE2-CB 4.44Å; F73-L92 HydrophobicContact CE2-CD2 4.42Å; F73-L92 HydrophobicContact CZ-CB 3.93Å |
| 74 | R | 88.2 | Confident | 83.8 | Confident | 130 Ų | 130 | 57 Ų | 57 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 175.9 | -173.7 | 66.4 | -164.3 | 178.5 | 10.4 | 111.1 | G71 W72 F76 V77 D78 E93 | G71-R74 PolarHBondContact O-N 3.18Å; W72-R74 PolarHBondContact O-N 3.08Å; R74-F76 VanDerWaalsContact C-N 3.26Å; R74-F76 PolarHBondContact O-N 3.11Å; R74-V77 PolarHBondContact O-N 3.38Å; R74-D78 IonicContact CZ-OD1 3.48Å; R74-D78 IonicContact NE-OD1 2.82Å; R74-D78 PolarHBondContact NE-OD1 3.32Å; R74-D78 VanDerWaalsContact NE-OD1 3.14Å; R74-D78 IonicContact NE-OD2 2.9Å; R74-D78 PolarHBondContact NE-OD2 2.95Å; R74-D78 IonicContact NH2-OD1 3.89Å; R74-D78 PolarHBondContact NH2-OD1 3.4Å; R74-D78 WeakPolarHBondContact O-CB 3.03Å; R74-D78 VanDerWaalsContact O-CG 3.22Å; R74-D78 PolarHBondContact O-N 3.08Å; R74-E93 IonicContact CZ-OE1 3.49Å; R74-E93 IonicContact NH1-OE1 3Å; R74-E93 PolarHBondContact NH1-OE1 2.97Å; R74-E93 IonicContact NH2-OE1 3.37Å |
| 75 | A | 87.1 | Confident | 83.6 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.8 | -35.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 W72 A79 | G71-A75 PolarHBondContact O-N 3.02Å; W72-A75 PolarHBondContact O-N 2.66Å; A75-A79 VanDerWaalsContact O-CB 3.23Å; A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 3.29Å |
| 76 | F | 90.6 | Very high | 83.4 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 175.3 | -177.8 | -137.7 | 0 | 0 | 0 | 112.1 | I13 I24 L33 L59 V63 W72 F73 R74 D78 A79 L80 L92 | I13-F76 HydrophobicContact CD1-CD1 4.23Å; I13-F76 HydrophobicContact CD1-CE1 4.31Å; I24-F76 HydrophobicContact CD1-CZ 4.29Å; L33-F76 HydrophobicContact CD1-CB 4.42Å; L33-F76 HydrophobicContact CD1-CD2 3.81Å; L59-F76 HydrophobicContact CD2-CE2 3.73Å; L59-F76 HydrophobicContact CD2-CZ 4.15Å; V63-F76 HydrophobicContact CG1-CB 4.04Å; V63-F76 HydrophobicContact CG1-CD1 3.79Å; V63-F76 HydrophobicContact CG1-CD2 4.12Å; V63-F76 HydrophobicContact CG1-CE1 4.22Å; V63-F76 HydrophobicContact CG1-CG 3.72Å; V63-F76 HydrophobicContact CG2-CD2 4Å; V63-F76 HydrophobicContact CG2-CE2 4.09Å; V63-F76 HydrophobicContact CG2-CG 4.44Å; W72-F76 WeakPolarHBondContact O-CB 3.49Å; W72-F76 PolarHBondContact O-N 3.21Å; F73-F76 PolarHBondContact O-N 3.16Å; R74-F76 VanDerWaalsContact C-N 3.26Å; R74-F76 PolarHBondContact O-N 3.11Å; F76-D78 VanDerWaalsContact C-N 3.34Å; F76-D78 PolarHBondContact O-N 2.97Å; F76-A79 PolarHBondContact O-N 3.06Å; F76-L80 HydrophobicContact CD1-CD1 4.39Å; F76-L80 HydrophobicContact CD2-CD1 4.44Å; F76-L80 HydrophobicContact CD2-CG 4.29Å; F76-L80 HydrophobicContact CE1-CD1 4.12Å; F76-L80 HydrophobicContact CE2-CD1 4.15Å; F76-L80 HydrophobicContact CE2-CD2 4.08Å; F76-L80 HydrophobicContact CE2-CG 4.03Å; F76-L80 HydrophobicContact CZ-CD1 3.99Å; F76-L80 HydrophobicContact CZ-CD2 4.33Å; F76-L80 HydrophobicContact CZ-CG 4.33Å; F76-L80 WeakPolarHBondContact O-CG 3.28Å; F76-L80 PolarHBondContact O-N 3.35Å; F76-L92 HydrophobicContact CD1-CD1 3.67Å; F76-L92 HydrophobicContact CE1-CD1 3.56Å |
| 77 | V | 89.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | F73 R74 A79 L80 N81 L92 E93 | F73-V77 HydrophobicContact CD1-CG2 4.29Å; F73-V77 HydrophobicContact CE1-CG2 3.92Å; F73-V77 HydrophobicContact CZ-CG2 4.19Å; F73-V77 WeakPolarHBondContact O-CG2 3.38Å; F73-V77 PolarHBondContact O-N 3.48Å; R74-V77 PolarHBondContact O-N 3.38Å; V77-A79 VanDerWaalsContact C-N 3.33Å; V77-A79 PolarHBondContact O-N 2.94Å; V77-L80 WeakPolarHBondContact O-CB 3.42Å; V77-L80 PolarHBondContact O-N 2.95Å; V77-N81 PolarHBondContact O-N 3.01Å; V77-N81 PolarHBondContact O-ND2 2.72Å; V77-L92 HydrophobicContact CG2-CB 3.91Å; V77-L92 HydrophobicContact CG2-CD1 4.09Å; V77-E93 HydrophobicContact CG1-CG 3.86Å; V77-E93 WeakPolarHBondContact CG1-OE1 3.37Å |
| 78 | D | 87.1 | Confident | 83.9 | Confident | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 176.4 | -68.3 | -25.5 | 0 | 0 | 0 | 110.5 | R74 F76 L80 N81 H82 | R74-D78 IonicContact CZ-OD1 3.48Å; R74-D78 IonicContact NE-OD1 2.82Å; R74-D78 PolarHBondContact NE-OD1 3.32Å; R74-D78 VanDerWaalsContact NE-OD1 3.14Å; R74-D78 IonicContact NE-OD2 2.9Å; R74-D78 PolarHBondContact NE-OD2 2.95Å; R74-D78 IonicContact NH2-OD1 3.89Å; R74-D78 PolarHBondContact NH2-OD1 3.4Å; R74-D78 WeakPolarHBondContact O-CB 3.03Å; R74-D78 VanDerWaalsContact O-CG 3.22Å; R74-D78 PolarHBondContact O-N 3.08Å; F76-D78 VanDerWaalsContact C-N 3.34Å; F76-D78 PolarHBondContact O-N 2.97Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.19Å; D78-N81 PolarHBondContact O-N 2.79Å; D78-H82 PolarHBondContact O-N 3.5Å; D78-H82 PolarHBondContact O-ND1 3.26Å |
| 79 | A | 87.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | V29 L33 A75 F76 V77 G83 | V29-A79 HydrophobicContact CG1-CB 4.22Å; L33-A79 HydrophobicContact CB-CB 4.46Å; L33-A79 HydrophobicContact CD1-CB 3.87Å; A75-A79 VanDerWaalsContact O-CB 3.23Å; A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 3.29Å; F76-A79 PolarHBondContact O-N 3.06Å; V77-A79 VanDerWaalsContact C-N 3.33Å; V77-A79 PolarHBondContact O-N 2.94Å; A79-G83 WeakPolarHBondContact O-CA 3.48Å; A79-G83 PolarHBondContact O-N 3.22Å |
| 80 | L | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 173.4 | -69.6 | 170.8 | 0 | 0 | 0 | 111.6 | I24 V29 F76 V77 D78 G83 S85 A86 A88 L92 | I24-L80 HydrophobicContact CD1-CD2 3.98Å; I24-L80 HydrophobicContact CG1-CD2 3.77Å; I24-L80 HydrophobicContact CG2-CD2 4.29Å; V29-L80 HydrophobicContact CG1-CD2 3.93Å; V29-L80 HydrophobicContact CG2-CD2 3.86Å; F76-L80 HydrophobicContact CD1-CD1 4.39Å; F76-L80 HydrophobicContact CD2-CD1 4.44Å; F76-L80 HydrophobicContact CD2-CG 4.29Å; F76-L80 HydrophobicContact CE1-CD1 4.12Å; F76-L80 HydrophobicContact CE2-CD1 4.15Å; F76-L80 HydrophobicContact CE2-CD2 4.08Å; F76-L80 HydrophobicContact CE2-CG 4.03Å; F76-L80 HydrophobicContact CZ-CD1 3.99Å; F76-L80 HydrophobicContact CZ-CD2 4.33Å; F76-L80 HydrophobicContact CZ-CG 4.33Å; F76-L80 WeakPolarHBondContact O-CG 3.28Å; F76-L80 PolarHBondContact O-N 3.35Å; V77-L80 WeakPolarHBondContact O-CB 3.42Å; V77-L80 PolarHBondContact O-N 2.95Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.19Å; L80-G83 PolarHBondContact O-N 3.44Å; L80-S85 CarbonylContact O-C 3.57Å; L80-S85 VanDerWaalsContact O-CA 3.31Å; L80-S85 WeakPolarHBondContact O-CA 3.45Å; L80-S85 PolarHBondContact O-N 2.79Å; L80-A86 PolarHBondContact O-N 3.13Å; L80-A88 HydrophobicContact CD1-CB 4.11Å; L80-A88 HydrophobicContact CD2-CB 4.11Å; L80-L92 HydrophobicContact CD1-CD1 3.47Å; L80-L92 VanDerWaalsContact CD1-CD1 3.47Å; L80-L92 HydrophobicContact CD1-CG 4.49Å |
| 81 | N | 83.9 | Confident | 84.7 | Confident | 52 Ų | 52 | 28.7 Ų | 28.7 | 28% | 0.278 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 178.9 | -73 | -29.7 | 0 | 0 | 0 | 112.2 | V77 D78 A86 | V77-N81 PolarHBondContact O-N 3.01Å; V77-N81 PolarHBondContact O-ND2 2.72Å; D78-N81 PolarHBondContact O-N 2.79Å; N81-A86 WeakPolarHBondContact OD1-CA 3.39Å |
| 82 | H | 81.2 | Confident | 85 | Confident | 128 Ų | 128 | 26.6 Ų | 26.6 | 59% | 0.593 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -75.6 | -27.7 | 177.4 | -65.6 | 91.2 | 0 | 0 | 0 | 112.7 | Y32 D78 G84 | Y32-H82 HydrophobicContact CD1-CB 3.97Å; Y32-H82 HydrophobicContact CD2-CB 4.09Å; Y32-H82 HydrophobicContact CE1-CB 4.1Å; Y32-H82 HydrophobicContact CE2-CB 4.23Å; Y32-H82 WeakPolarHBondContact CE2-O 3.47Å; Y32-H82 HydrophobicContact CG-CB 3.96Å; D78-H82 PolarHBondContact O-N 3.5Å; D78-H82 PolarHBondContact O-ND1 3.26Å; H82-G84 VanDerWaalsContact C-N 3.27Å; H82-G84 PolarHBondContact O-N 3.11Å |
| 83 | G | 77.4 | Confident | 85 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 24.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q28 A79 L80 S85 | Q28-G83 VanDerWaalsContact CB-O 3.24Å; Q28-G83 WeakPolarHBondContact CB-O 3.31Å; Q28-G83 PolarHBondContact OE1-O 3.45Å; A79-G83 WeakPolarHBondContact O-CA 3.48Å; A79-G83 PolarHBondContact O-N 3.22Å; L80-G83 PolarHBondContact O-N 3.44Å; G83-S85 PolarHBondContact O-N 3.38Å; G83-S85 VanDerWaalsContact O-N 3.08Å; G83-S85 PolarHBondContact O-OG 3.43Å |
| 84 | G | 73.9 | Confident | 84.7 | Confident | 27 Ų | 27 | 32 Ų | 32 | 28% | 0.278 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 15.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H82 | H82-G84 VanDerWaalsContact C-N 3.27Å; H82-G84 PolarHBondContact O-N 3.11Å |
| 85 | S | 82.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | trans | -115.3 | 37.3 | -179.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | K25 V29 L80 G83 H87 A88 G89 | K25-S85 WeakPolarHBondContact CB-OG 3.49Å; K25-S85 PolarHBondContact N-OG 3.37Å; V29-S85 WeakPolarHBondContact CG2-OG 3.3Å; L80-S85 CarbonylContact O-C 3.57Å; L80-S85 VanDerWaalsContact O-CA 3.31Å; L80-S85 WeakPolarHBondContact O-CA 3.45Å; L80-S85 PolarHBondContact O-N 2.79Å; G83-S85 PolarHBondContact O-N 3.38Å; G83-S85 VanDerWaalsContact O-N 3.08Å; G83-S85 PolarHBondContact O-OG 3.43Å; S85-H87 PolarHBondContact O-N 3.34Å; S85-H87 VanDerWaalsContact O-N 3.16Å; S85-A88 WeakPolarHBondContact O-CA 3.46Å; S85-A88 VanDerWaalsContact O-CB 3.26Å; S85-A88 WeakPolarHBondContact O-CB 3.36Å; S85-A88 PolarHBondContact O-N 3.05Å; S85-G89 PolarHBondContact O-N 2.9Å | ||
| 86 | A | 81.1 | Confident | 84.1 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -30.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | L80 N81 A88 G89 D90 | L80-A86 PolarHBondContact O-N 3.13Å; N81-A86 WeakPolarHBondContact OD1-CA 3.39Å; A86-A88 VanDerWaalsContact C-N 3.29Å; A86-A88 PolarHBondContact O-N 2.83Å; A86-G89 WeakPolarHBondContact O-CA 3.41Å; A86-G89 PolarHBondContact O-N 3.19Å; A86-G89 VanDerWaalsContact O-N 3.09Å; A86-D90 VanDerWaalsContact O-CG 3.26Å; A86-D90 PolarHBondContact O-N 2.91Å |
| 87 | H | 83.8 | Confident | 83.5 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 172.9 | -168.9 | 37.9 | 0 | 0 | 0 | 112.2 | S85 G89 D90 Y91 R169 P170 | S85-H87 PolarHBondContact O-N 3.34Å; S85-H87 VanDerWaalsContact O-N 3.16Å; H87-G89 VanDerWaalsContact C-N 3.33Å; H87-D90 WeakPolarHBondContact O-CB 3.49Å; H87-D90 PolarHBondContact O-N 2.98Å; H87-Y91 AromaticContact CE1-CE2 3.48Å; H87-Y91 VanDerWaalsContact CE1-CE2 3.48Å; H87-Y91 WeakPolarHBondContact CE1-CE2 3.45Å; H87-Y91 AromaticContact NE2-CE2 3.57Å; H87-Y91 VanDerWaalsContact O-CD2 3.28Å; H87-Y91 WeakPolarHBondContact O-CD2 3.43Å; H87-Y91 PolarHBondContact O-N 2.71Å; H87-R169 HydrophobicContact CB-CG 3.88Å; H87-P170 VanDerWaalsContact CE1-CD 3.46Å; H87-P170 WeakPolarHBondContact CE1-CD 3.48Å |
| 88 | A | 85.9 | Confident | 83 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L20 I23 I24 L80 S85 A86 D90 Y91 L92 | L20-A88 HydrophobicContact CD2-CB 3.9Å; I23-A88 HydrophobicContact CD1-CB 3.85Å; I23-A88 HydrophobicContact CG1-CB 3.85Å; I24-A88 HydrophobicContact CG1-CB 3.74Å; L80-A88 HydrophobicContact CD1-CB 4.11Å; L80-A88 HydrophobicContact CD2-CB 4.11Å; S85-A88 WeakPolarHBondContact O-CA 3.46Å; S85-A88 VanDerWaalsContact O-CB 3.26Å; S85-A88 WeakPolarHBondContact O-CB 3.36Å; S85-A88 PolarHBondContact O-N 3.05Å; A86-A88 VanDerWaalsContact C-N 3.29Å; A86-A88 PolarHBondContact O-N 2.83Å; A88-D90 VanDerWaalsContact C-N 3.34Å; A88-Y91 PolarHBondContact O-N 3.33Å; A88-L92 PolarHBondContact O-N 3.43Å |
| 89 | G | 86 | Confident | 82.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | S85 A86 H87 Y91 L92 E93 | S85-G89 PolarHBondContact O-N 2.9Å; A86-G89 WeakPolarHBondContact O-CA 3.41Å; A86-G89 PolarHBondContact O-N 3.19Å; A86-G89 VanDerWaalsContact O-N 3.09Å; H87-G89 VanDerWaalsContact C-N 3.33Å; G89-Y91 VanDerWaalsContact C-N 3.33Å; G89-Y91 PolarHBondContact O-N 3.33Å; G89-L92 PolarHBondContact O-N 3.08Å; G89-L92 VanDerWaalsContact O-N 3.12Å; G89-E93 PolarHBondContact O-N 3.15Å |
| 90 | D | 84.8 | Confident | 82.1 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -42 | 178.3 | -58 | -34.4 | 0 | 0 | 0 | 111.7 | A86 H87 A88 L92 E93 L94 N95 R169 | A86-D90 VanDerWaalsContact O-CG 3.26Å; A86-D90 PolarHBondContact O-N 2.91Å; H87-D90 WeakPolarHBondContact O-CB 3.49Å; H87-D90 PolarHBondContact O-N 2.98Å; A88-D90 VanDerWaalsContact C-N 3.34Å; D90-L92 PolarHBondContact O-N 2.81Å; D90-E93 CarbonylContact O-C 3.59Å; D90-E93 PolarHBondContact O-N 3.23Å; D90-L94 PolarHBondContact O-N 3.18Å; D90-N95 HydrophobicContact CB-CB 4.13Å; D90-N95 PolarHBondContact O-N 3.48Å; D90-R169 VanDerWaalsContact CG-NH2 3.32Å; D90-R169 IonicContact OD1-CZ 3.67Å; D90-R169 IonicContact OD1-NH2 2.73Å; D90-R169 PolarHBondContact OD1-NH2 2.97Å; D90-R169 IonicContact OD2-CZ 3.14Å; D90-R169 VanDerWaalsContact OD2-CZ 3.24Å; D90-R169 IonicContact OD2-NE 3.62Å; D90-R169 PolarHBondContact OD2-NE 3.5Å; D90-R169 IonicContact OD2-NH2 3.95Å; D90-R169 PolarHBondContact OD2-NH2 3.3Å |
| 91 | Y | 85.7 | Confident | 81.8 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.8 | -82.9 | -87.8 | 0 | 0 | 0 | 112.7 | L16 R19 I23 H87 A88 G89 L94 L96 E102 | L16-Y91 VanDerWaalsContact CD1-O 3.29Å; L16-Y91 WeakPolarHBondContact CD1-O 3.39Å; L16-Y91 HydrophobicContact CD2-CD1 4.22Å; R19-Y91 HydrophobicContact CG-CD1 4.2Å; R19-Y91 HydrophobicContact CG-CD2 4.47Å; R19-Y91 HydrophobicContact CG-CE1 3.75Å; R19-Y91 HydrophobicContact CG-CE2 4.04Å; R19-Y91 PolarHBondContact NE-OH 3.46Å; R19-Y91 PolarHBondContact NH2-OH 2.77Å; I23-Y91 HydrophobicContact CD1-CD2 3.62Å; I23-Y91 HydrophobicContact CD1-CE2 3.8Å; H87-Y91 AromaticContact CE1-CE2 3.48Å; H87-Y91 VanDerWaalsContact CE1-CE2 3.48Å; H87-Y91 WeakPolarHBondContact CE1-CE2 3.45Å; H87-Y91 AromaticContact NE2-CE2 3.57Å; H87-Y91 VanDerWaalsContact O-CD2 3.28Å; H87-Y91 WeakPolarHBondContact O-CD2 3.43Å; H87-Y91 PolarHBondContact O-N 2.71Å; A88-Y91 PolarHBondContact O-N 3.33Å; G89-Y91 VanDerWaalsContact C-N 3.33Å; G89-Y91 PolarHBondContact O-N 3.33Å; Y91-L94 PolarHBondContact O-N 3.5Å; Y91-L96 HydrophobicContact CD1-CD2 3.26Å; Y91-L96 HydrophobicContact CE1-CD2 3.72Å; Y91-L96 HydrophobicContact CG-CD2 4.01Å; Y91-E102 PolarHBondContact OH-OE1 3.09Å |
| 92 | L | 86.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.6 | -32.8 | 179.8 | -69 | -176.2 | 0 | 0 | 0 | 112.6 | R12 I13 L16 L20 F73 F76 V77 L80 A88 G89 D90 L94 | R12-L92 WeakPolarHBondContact CD-O 3Å; R12-L92 PolarHBondContact NH1-O 3.11Å; I13-L92 HydrophobicContact CG1-CD2 3.75Å; L16-L92 HydrophobicContact CD1-CD2 4.47Å; L20-L92 HydrophobicContact CD1-CD2 3.65Å; L20-L92 HydrophobicContact CD1-CG 4.33Å; L20-L92 HydrophobicContact CD2-CD2 4.32Å; L20-L92 HydrophobicContact CD2-CG 4.16Å; F73-L92 HydrophobicContact CE2-CB 4.44Å; F73-L92 HydrophobicContact CE2-CD2 4.42Å; F73-L92 HydrophobicContact CZ-CB 3.93Å; F76-L92 HydrophobicContact CD1-CD1 3.67Å; F76-L92 HydrophobicContact CE1-CD1 3.56Å; V77-L92 HydrophobicContact CG2-CB 3.91Å; V77-L92 HydrophobicContact CG2-CD1 4.09Å; L80-L92 HydrophobicContact CD1-CD1 3.47Å; L80-L92 VanDerWaalsContact CD1-CD1 3.47Å; L80-L92 HydrophobicContact CD1-CG 4.49Å; A88-L92 PolarHBondContact O-N 3.43Å; G89-L92 PolarHBondContact O-N 3.08Å; G89-L92 VanDerWaalsContact O-N 3.12Å; D90-L92 PolarHBondContact O-N 2.81Å; L92-L94 PolarHBondContact O-N 2.9Å |
| 93 | E | 86.1 | Confident | 81.6 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.7 | 173 | -66.9 | -171 | 151.5 | 0 | 0 | 113.4 | R74 V77 G89 D90 N95 | R74-E93 IonicContact CZ-OE1 3.49Å; R74-E93 IonicContact NH1-OE1 3Å; R74-E93 PolarHBondContact NH1-OE1 2.97Å; R74-E93 IonicContact NH2-OE1 3.37Å; V77-E93 HydrophobicContact CG1-CG 3.86Å; V77-E93 WeakPolarHBondContact CG1-OE1 3.37Å; G89-E93 PolarHBondContact O-N 3.15Å; D90-E93 CarbonylContact O-C 3.59Å; D90-E93 PolarHBondContact O-N 3.23Å; E93-N95 PolarHBondContact O-N 3.09Å |
| 94 | L | 82.4 | Confident | 81.9 | Confident | 91 Ų | 91 | 51.9 Ų | 51.9 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 23.6 | -176 | -57.2 | 173.3 | 0 | 0 | 0 | 114.3 | D90 Y91 L92 L96 | D90-L94 PolarHBondContact O-N 3.18Å; Y91-L94 PolarHBondContact O-N 3.5Å; L92-L94 PolarHBondContact O-N 2.9Å; L94-L96 PolarHBondContact O-N 3.22Å |
| 95 | N | 83.3 | Confident | 82.5 | Confident | 96 Ų | 96 | 51 Ų | 51 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | trans | -81.7 | 59.7 | 167.9 | -64 | -39 | 0 | 0 | 0 | 109.3 | D90 E93 | D90-N95 HydrophobicContact CB-CB 4.13Å; D90-N95 PolarHBondContact O-N 3.48Å; E93-N95 PolarHBondContact O-N 3.09Å | ||
| 96 | L | 80.1 | Confident | 82.6 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 141 | -173 | -59.8 | 174.3 | 0 | 0 | 0 | 111.3 | Y91 L94 | Y91-L96 HydrophobicContact CD1-CD2 3.26Å; Y91-L96 HydrophobicContact CE1-CD2 3.72Å; Y91-L96 HydrophobicContact CG-CD2 4.01Å; L94-L96 PolarHBondContact O-N 3.22Å |
| 97 | P | 77.4 | Confident | 82.9 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 159.3 | 170.3 | 28.5 | -33.4 | 0 | 0 | 0 | 111.3 | E102 | P97-E102 HydrophobicContact CG-CB 4.06Å; P97-E102 HydrophobicContact CG-CG 4.27Å |
| 98 | D | 79.4 | Confident | 83.2 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.3 | 170.9 | -172.3 | -72.6 | 0 | 0 | 0 | 110.1 | E100 V101 E102 | D98-E100 PolarHBondContact O-N 3.2Å; D98-E100 VanDerWaalsContact O-N 3.13Å; D98-E100 WeakPolarHBondContact OD1-CB 3.5Å; D98-E100 PolarHBondContact OD1-N 2.88Å; D98-V101 HydrophobicContact CB-CB 4.3Å; D98-V101 HydrophobicContact CB-CG2 4.04Å; D98-V101 WeakPolarHBondContact O-CB 3.28Å; D98-V101 PolarHBondContact O-N 3.35Å; D98-E102 PolarHBondContact O-N 2.85Å |
| 99 | P | 79.1 | Confident | 83.2 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -53.4 | -32.9 | -179.8 | -27.6 | 34.9 | 0 | 0 | 0 | 114.5 | A103 | P99-A103 VanDerWaalsContact O-CB 3.3Å; P99-A103 WeakPolarHBondContact O-CB 3.44Å; P99-A103 PolarHBondContact O-N 2.52Å |
| 100 | E | 75.8 | Confident | 83.2 | Confident | 159 Ų | 159 | 67.8 Ų | 67.8 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.6 | -42.4 | 176.5 | -65.1 | -173.5 | 173.2 | 0 | 0 | 111.2 | D98 E102 A103 E104 | D98-E100 PolarHBondContact O-N 3.2Å; D98-E100 VanDerWaalsContact O-N 3.13Å; D98-E100 WeakPolarHBondContact OD1-CB 3.5Å; D98-E100 PolarHBondContact OD1-N 2.88Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E100-A103 PolarHBondContact O-N 3.47Å; E100-E104 VanDerWaalsContact O-CB 3.32Å; E100-E104 WeakPolarHBondContact O-CB 3.49Å; E100-E104 PolarHBondContact O-N 2.92Å |
| 101 | V | 82.1 | Confident | 83.3 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | D98 N105 P170 | D98-V101 HydrophobicContact CB-CB 4.3Å; D98-V101 HydrophobicContact CB-CG2 4.04Å; D98-V101 WeakPolarHBondContact O-CB 3.28Å; D98-V101 PolarHBondContact O-N 3.35Å; V101-N105 WeakPolarHBondContact O-CB 3.32Å; V101-N105 PolarHBondContact O-N 3.07Å; V101-P170 HydrophobicContact CG1-CB 3.68Å; V101-P170 HydrophobicContact CG1-CG 4.39Å |
| 102 | E | 81.6 | Confident | 83.4 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -46.8 | 176.5 | -170.2 | 173.5 | -158.8 | 0 | 0 | 111.6 | R19 Y91 P97 D98 E100 E104 N105 D106 | R19-E102 IonicContact CZ-OE1 2.82Å; R19-E102 IonicContact NE-OE1 3.05Å; R19-E102 IonicContact NH2-OE1 3.75Å; Y91-E102 PolarHBondContact OH-OE1 3.09Å; P97-E102 HydrophobicContact CG-CB 4.06Å; P97-E102 HydrophobicContact CG-CG 4.27Å; D98-E102 PolarHBondContact O-N 2.85Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E102-E104 VanDerWaalsContact C-N 3.3Å; E102-E104 PolarHBondContact O-N 3.2Å; E102-N105 PolarHBondContact O-N 3.34Å; E102-D106 PolarHBondContact O-N 2.89Å |
| 103 | A | 78.9 | Confident | 83.3 | Confident | 62 Ų | 62 | 73 Ų | 73 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | P99 E100 Y107 | P99-A103 VanDerWaalsContact O-CB 3.3Å; P99-A103 WeakPolarHBondContact O-CB 3.44Å; P99-A103 PolarHBondContact O-N 2.52Å; E100-A103 PolarHBondContact O-N 3.47Å; A103-Y107 WeakPolarHBondContact O-CB 3.4Å; A103-Y107 PolarHBondContact O-N 3.26Å |
| 104 | E | 84 | Confident | 83.2 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 174.9 | -160.3 | -166.8 | -178.3 | 0 | 0 | 111.6 | E100 E102 Y107 Y108 | E100-E104 VanDerWaalsContact O-CB 3.32Å; E100-E104 WeakPolarHBondContact O-CB 3.49Å; E100-E104 PolarHBondContact O-N 2.92Å; E102-E104 VanDerWaalsContact C-N 3.3Å; E102-E104 PolarHBondContact O-N 3.2Å; E104-Y107 WeakPolarHBondContact O-CB 3.48Å; E104-Y107 PolarHBondContact O-N 3.2Å; E104-Y108 HydrophobicContact CB-CE2 4.48Å; E104-Y108 HydrophobicContact CG-CD2 4.18Å; E104-Y108 HydrophobicContact CG-CE2 3.43Å; E104-Y108 VanDerWaalsContact CG-CE2 3.43Å; E104-Y108 WeakPolarHBondContact O-CD2 3.38Å; E104-Y108 PolarHBondContact O-N 2.87Å; E104-Y108 WeakPolarHBondContact OE1-CE2 3.4Å; E104-Y108 PolarHBondContact OE1-OH 3.35Å |
| 105 | N | 85.4 | Confident | 83.4 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.043 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.8 | -175.8 | 72 | 0 | 0 | 0 | 112 | V101 E102 Y107 Y108 V109 P170 W172 | V101-N105 WeakPolarHBondContact O-CB 3.32Å; V101-N105 PolarHBondContact O-N 3.07Å; E102-N105 PolarHBondContact O-N 3.34Å; N105-Y107 VanDerWaalsContact C-N 3.3Å; N105-Y107 PolarHBondContact O-N 3.05Å; N105-Y108 PolarHBondContact O-N 3.41Å; N105-Y108 VanDerWaalsContact O-N 3.11Å; N105-V109 WeakPolarHBondContact O-CG2 3.43Å; N105-V109 PolarHBondContact O-N 3.5Å; N105-P170 HydrophobicContact CB-CB 4.26Å; N105-P170 HydrophobicContact CB-CG 4.29Å; N105-W172 PolarHBondContact OD1-NE1 3.3Å |
| 106 | D | 85.3 | Confident | 83.6 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.9 | -73.9 | -6.8 | 0 | 0 | 0 | 111.5 | R19 E102 Y108 V109 Q110 | R19-D106 IonicContact CZ-OD1 3.88Å; R19-D106 VanDerWaalsContact CZ-OD1 3.22Å; R19-D106 IonicContact NH1-OD1 3.9Å; R19-D106 PolarHBondContact NH1-OD1 2.89Å; R19-D106 IonicContact NH1-OD2 3.8Å; R19-D106 IonicContact NH2-OD1 2.98Å; R19-D106 PolarHBondContact NH2-OD1 3.21Å; R19-D106 IonicContact NH2-OD2 3.63Å; E102-D106 PolarHBondContact O-N 2.89Å; D106-Y108 PolarHBondContact O-N 2.99Å; D106-V109 PolarHBondContact O-N 3.4Å; D106-Q110 WeakPolarHBondContact O-CG 3.31Å; D106-Q110 PolarHBondContact O-N 3.18Å |
| 107 | Y | 87.5 | Confident | 83.9 | Confident | 135 Ų | 135 | 68.9 Ų | 68.9 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 171.3 | 172.4 | -99.5 | 0 | 0 | 0 | 111.7 | A103 E104 N105 Q110 L111 | A103-Y107 WeakPolarHBondContact O-CB 3.4Å; A103-Y107 PolarHBondContact O-N 3.26Å; E104-Y107 WeakPolarHBondContact O-CB 3.48Å; E104-Y107 PolarHBondContact O-N 3.2Å; N105-Y107 VanDerWaalsContact C-N 3.3Å; N105-Y107 PolarHBondContact O-N 3.05Å; Y107-Q110 PolarHBondContact O-N 3.05Å; Y107-L111 HydrophobicContact CE1-CD2 4.37Å; Y107-L111 WeakPolarHBondContact O-CB 3.35Å; Y107-L111 PolarHBondContact O-N 3.35Å |
| 108 | Y | 89.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 21% | 0.208 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.7 | -35.4 | 178.9 | -65.2 | -41.8 | 0 | 0 | 0 | 114 | E104 N105 D106 L111 I112 F173 | E104-Y108 HydrophobicContact CB-CE2 4.48Å; E104-Y108 HydrophobicContact CG-CD2 4.18Å; E104-Y108 HydrophobicContact CG-CE2 3.43Å; E104-Y108 VanDerWaalsContact CG-CE2 3.43Å; E104-Y108 WeakPolarHBondContact O-CD2 3.38Å; E104-Y108 PolarHBondContact O-N 2.87Å; E104-Y108 WeakPolarHBondContact OE1-CE2 3.4Å; E104-Y108 PolarHBondContact OE1-OH 3.35Å; N105-Y108 PolarHBondContact O-N 3.41Å; N105-Y108 VanDerWaalsContact O-N 3.11Å; D106-Y108 PolarHBondContact O-N 2.99Å; Y108-L111 HydrophobicContact CD1-CD2 4.28Å; Y108-L111 WeakPolarHBondContact O-CB 3.25Å; Y108-L111 PolarHBondContact O-N 3.26Å; Y108-I112 PolarHBondContact O-N 2.81Å; Y108-F173 AromaticContact CD1-CD1 3.35Å; Y108-F173 HydrophobicContact CD1-CD1 3.35Å; Y108-F173 HydrophobicContact CD1-CD2 4.08Å; Y108-F173 AromaticContact CD1-CE1 3.37Å; Y108-F173 HydrophobicContact CD1-CE1 3.37Å; Y108-F173 HydrophobicContact CD1-CE2 4.1Å; Y108-F173 AromaticContact CD1-CG 3.72Å; Y108-F173 HydrophobicContact CD1-CG 3.72Å; Y108-F173 AromaticContact CD1-CZ 3.77Å; Y108-F173 HydrophobicContact CD1-CZ 3.77Å; Y108-F173 HydrophobicContact CD2-CB 3.73Å; Y108-F173 AromaticContact CD2-CD1 3.77Å; Y108-F173 HydrophobicContact CD2-CD1 3.77Å; Y108-F173 AromaticContact CD2-CG 3.82Å; Y108-F173 HydrophobicContact CD2-CG 3.82Å; Y108-F173 AromaticContact CE1-CD1 3.51Å; Y108-F173 HydrophobicContact CE1-CD1 3.51Å; Y108-F173 AromaticContact CE1-CE1 3.43Å; Y108-F173 HydrophobicContact CE1-CE1 3.43Å; Y108-F173 VanDerWaalsContact CE1-CE1 3.43Å; Y108-F173 HydrophobicContact CE1-CG 4.32Å; Y108-F173 HydrophobicContact CE1-CZ 4.18Å; Y108-F173 HydrophobicContact CE2-CB 4.39Å; Y108-F173 AromaticContact CE2-CD1 3.89Å; Y108-F173 HydrophobicContact CE2-CD1 3.89Å; Y108-F173 HydrophobicContact CE2-CG 4.39Å; Y108-F173 HydrophobicContact CG-CB 3.81Å; Y108-F173 AromaticContact CG-CD1 3.52Å; Y108-F173 HydrophobicContact CG-CD1 3.52Å; Y108-F173 AromaticContact CG-CD2 3.94Å; Y108-F173 HydrophobicContact CG-CD2 3.94Å; Y108-F173 HydrophobicContact CG-CE1 4.03Å; Y108-F173 HydrophobicContact CG-CE2 4.41Å; Y108-F173 AromaticContact CG-CG 3.47Å; Y108-F173 HydrophobicContact CG-CG 3.47Å; Y108-F173 VanDerWaalsContact CG-CG 3.47Å; Y108-F173 HydrophobicContact CG-CZ 4.45Å; Y108-F173 AromaticContact CZ-CD1 3.8Å |
| 109 | V | 86.3 | Confident | 84.5 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | N105 D106 L111 I112 Q113 V166 W172 | N105-V109 WeakPolarHBondContact O-CG2 3.43Å; N105-V109 PolarHBondContact O-N 3.5Å; D106-V109 PolarHBondContact O-N 3.4Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.17Å; V109-I112 PolarHBondContact O-N 2.88Å; V109-Q113 WeakPolarHBondContact O-CG 3.4Å; V109-Q113 PolarHBondContact O-N 2.99Å; V109-V166 HydrophobicContact CG1-CB 4.15Å; V109-V166 HydrophobicContact CG2-CB 4.13Å; V109-V166 WeakPolarHBondContact CG2-O 3.33Å; V109-W172 HydrophobicContact CG2-CZ2 3.85Å |
| 110 | Q | 85.4 | Confident | 84.9 | Confident | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.584 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 175.7 | -70.8 | 176.2 | 9.2 | 0 | 0 | 111.9 | D106 Y107 Q113 L114 | D106-Q110 WeakPolarHBondContact O-CG 3.31Å; D106-Q110 PolarHBondContact O-N 3.18Å; Y107-Q110 PolarHBondContact O-N 3.05Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q110-L114 WeakPolarHBondContact O-CB 3.2Å; Q110-L114 PolarHBondContact O-N 3.01Å |
| 111 | L | 86.8 | Confident | 85.3 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 13% | 0.131 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 177.2 | -167.9 | 70.1 | 0 | 0 | 0 | 111.6 | Y107 Y108 V109 L114 F115 F173 | Y107-L111 HydrophobicContact CE1-CD2 4.37Å; Y107-L111 WeakPolarHBondContact O-CB 3.35Å; Y107-L111 PolarHBondContact O-N 3.35Å; Y108-L111 HydrophobicContact CD1-CD2 4.28Å; Y108-L111 WeakPolarHBondContact O-CB 3.25Å; Y108-L111 PolarHBondContact O-N 3.26Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.17Å; L111-L114 PolarHBondContact O-N 3.15Å; L111-F115 HydrophobicContact CD1-CD2 4Å; L111-F115 HydrophobicContact CD1-CE2 3.52Å; L111-F115 HydrophobicContact CG-CD2 4.06Å; L111-F115 HydrophobicContact CG-CE2 4.06Å; L111-F115 WeakPolarHBondContact O-CD2 3.37Å; L111-F115 PolarHBondContact O-N 3.33Å; L111-F115 VanDerWaalsContact O-N 3.16Å; L111-F173 HydrophobicContact CD2-CE2 4.05Å; L111-F173 HydrophobicContact CD2-CZ 3.65Å |
| 112 | I | 88.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | 175.6 | -70.4 | -56.2 | 0 | 0 | 0 | 110.9 | Y108 V109 L114 F115 T116 L119 L162 V166 W172 F173 F176 I192 | Y108-I112 PolarHBondContact O-N 2.81Å; V109-I112 PolarHBondContact O-N 2.88Å; I112-L114 VanDerWaalsContact C-N 3.28Å; I112-L114 PolarHBondContact O-N 3.11Å; I112-F115 CarbonylContact O-C 3.59Å; I112-F115 PolarHBondContact O-N 3.44Å; I112-F115 VanDerWaalsContact O-N 3.1Å; I112-T116 PolarHBondContact O-N 3.33Å; I112-T116 PolarHBondContact O-OG1 3.23Å; I112-L119 HydrophobicContact CD1-CD1 3.64Å; I112-L119 HydrophobicContact CG2-CD1 4.34Å; I112-L162 HydrophobicContact CG2-CB 4.34Å; I112-L162 HydrophobicContact CG2-CD2 3.97Å; I112-V166 HydrophobicContact CB-CG1 3.92Å; I112-V166 HydrophobicContact CG1-CG1 4.49Å; I112-V166 HydrophobicContact CG2-CG1 3.65Å; I112-W172 HydrophobicContact CB-CH2 4.27Å; I112-W172 HydrophobicContact CG1-CH2 3.49Å; I112-W172 VanDerWaalsContact CG1-CH2 3.49Å; I112-W172 HydrophobicContact CG1-CZ3 3.83Å; I112-F173 HydrophobicContact CD1-CD2 4.33Å; I112-F173 HydrophobicContact CD1-CE2 3.92Å; I112-F173 HydrophobicContact CG1-CD2 4.22Å; I112-F173 HydrophobicContact CG1-CE2 4.14Å; I112-F176 HydrophobicContact CD1-CD1 4.2Å; I112-F176 HydrophobicContact CD1-CE1 3.92Å; I112-I192 HydrophobicContact CD1-CG2 4.23Å |
| 113 | Q | 84.8 | Confident | 85.9 | Confident | 116 Ų | 116 | 59.2 Ų | 59.2 | 54% | 0.542 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.8 | -40.3 | 177.5 | -73.5 | 174.4 | -12.4 | 0 | 0 | 112.5 | V109 Q110 F115 T116 | V109-Q113 WeakPolarHBondContact O-CG 3.4Å; V109-Q113 PolarHBondContact O-N 2.99Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q113-F115 VanDerWaalsContact C-N 3.35Å; Q113-T116 PolarHBondContact O-OG1 2.64Å |
| 114 | L | 84.1 | Confident | 86.5 | Confident | 125 Ų | 125 | 56.3 Ų | 56.3 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 176.8 | -175.9 | 67.4 | 0 | 0 | 0 | 112.2 | Q110 L111 I112 | Q110-L114 WeakPolarHBondContact O-CB 3.2Å; Q110-L114 PolarHBondContact O-N 3.01Å; L111-L114 PolarHBondContact O-N 3.15Å; I112-L114 VanDerWaalsContact C-N 3.28Å; I112-L114 PolarHBondContact O-N 3.11Å |
| 115 | F | 86.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 21% | 0.211 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -96.4 | 0.4 | -176.9 | -66.9 | -55.7 | 0 | 0 | 0 | 114.8 | L111 I112 Q113 P117 S118 L119 L191 I192 | L111-F115 HydrophobicContact CD1-CD2 4Å; L111-F115 HydrophobicContact CD1-CE2 3.52Å; L111-F115 HydrophobicContact CG-CD2 4.06Å; L111-F115 HydrophobicContact CG-CE2 4.06Å; L111-F115 WeakPolarHBondContact O-CD2 3.37Å; L111-F115 PolarHBondContact O-N 3.33Å; L111-F115 VanDerWaalsContact O-N 3.16Å; I112-F115 CarbonylContact O-C 3.59Å; I112-F115 PolarHBondContact O-N 3.44Å; I112-F115 VanDerWaalsContact O-N 3.1Å; Q113-F115 VanDerWaalsContact C-N 3.35Å; F115-P117 VanDerWaalsContact C-N 3.31Å; F115-P117 VanDerWaalsContact O-N 3.17Å; F115-S118 PolarHBondContact O-N 3.43Å; F115-L119 HydrophobicContact CB-CD1 3.9Å; F115-L119 HydrophobicContact CB-CG 4.17Å; F115-L119 WeakPolarHBondContact O-CG 3.47Å; F115-L119 PolarHBondContact O-N 2.92Å; F115-L191 HydrophobicContact CB-CD2 4.21Å; F115-L191 HydrophobicContact CD1-CD1 3.88Å; F115-L191 HydrophobicContact CD1-CD2 3.92Å; F115-L191 HydrophobicContact CD1-CG 3.84Å; F115-L191 HydrophobicContact CD2-CG 4.48Å; F115-L191 HydrophobicContact CE1-CD1 3.68Å; F115-L191 HydrophobicContact CE1-CG 4.06Å; F115-L191 HydrophobicContact CG-CD2 4.15Å; F115-L191 HydrophobicContact CG-CG 4.08Å; F115-L191 HydrophobicContact CZ-CD1 4.21Å; F115-L191 HydrophobicContact CZ-CG 4.46Å; F115-I192 HydrophobicContact CD2-CG2 4.32Å |
| 116 | T | 87.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -44.8 | -47.4 | 176.8 | -66.9 | 0 | 0 | 0 | 0 | 113 | I112 Q113 S118 L119 E120 H159 L162 | I112-T116 PolarHBondContact O-N 3.33Å; I112-T116 PolarHBondContact O-OG1 3.23Å; Q113-T116 PolarHBondContact O-OG1 2.64Å; T116-S118 PolarHBondContact O-N 3.33Å; T116-S118 VanDerWaalsContact O-N 3.14Å; T116-L119 PolarHBondContact O-N 2.7Å; T116-L119 VanDerWaalsContact O-N 3.14Å; T116-E120 HydrophobicContact CG2-CG 4.24Å; T116-E120 WeakPolarHBondContact CG2-OE1 3.39Å; T116-E120 VanDerWaalsContact O-CG 3.28Å; T116-E120 WeakPolarHBondContact O-CG 3.15Å; T116-E120 PolarHBondContact O-N 2.78Å; T116-H159 WeakPolarHBondContact CG2-ND1 3.37Å; T116-L162 HydrophobicContact CG2-CD1 4.18Å |
| 117 | P | 85.6 | Confident | 87 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -30 | -178.8 | -24.1 | 35 | 0 | 0 | 0 | 114.5 | F115 R155 | F115-P117 VanDerWaalsContact C-N 3.31Å; F115-P117 VanDerWaalsContact O-N 3.17Å; P117-R155 PolarHBondContact O-NH2 3.3Å; P117-R155 VanDerWaalsContact O-NH2 3.09Å |
| 118 | S | 84.9 | Confident | 87 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -89 | -31.9 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | F115 T116 E120 L188 | F115-S118 PolarHBondContact O-N 3.43Å; T116-S118 PolarHBondContact O-N 3.33Å; T116-S118 VanDerWaalsContact O-N 3.14Å; S118-E120 VanDerWaalsContact C-N 3.34Å; S118-L188 WeakPolarHBondContact O-CD2 3.32Å |
| 119 | L | 84.9 | Confident | 87 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.7 | -23.8 | 178.5 | -69.7 | 168.8 | 0 | 0 | 0 | 112.3 | I112 F115 T116 D121 M122 L162 L180 L188 I192 | I112-L119 HydrophobicContact CD1-CD1 3.64Å; I112-L119 HydrophobicContact CG2-CD1 4.34Å; F115-L119 HydrophobicContact CB-CD1 3.9Å; F115-L119 HydrophobicContact CB-CG 4.17Å; F115-L119 WeakPolarHBondContact O-CG 3.47Å; F115-L119 PolarHBondContact O-N 2.92Å; T116-L119 PolarHBondContact O-N 2.7Å; T116-L119 VanDerWaalsContact O-N 3.14Å; L119-D121 PolarHBondContact O-N 2.89Å; L119-D121 VanDerWaalsContact O-N 3.11Å; L119-M122 HydrophobicContact CB-CE 4.41Å; L119-M122 WeakPolarHBondContact O-CB 3.32Å; L119-M122 VanDerWaalsContact O-CE 3.28Å; L119-M122 WeakPolarHBondContact O-CE 3.09Å; L119-M122 VanDerWaalsContact O-CG 3.25Å; L119-M122 WeakPolarHBondContact O-CG 3.21Å; L119-M122 PolarHBondContact O-N 3.42Å; L119-M122 VanDerWaalsContact O-N 3.08Å; L119-L162 HydrophobicContact CB-CD1 3.63Å; L119-L162 HydrophobicContact CB-CD2 4.43Å; L119-L162 HydrophobicContact CD1-CD1 4.39Å; L119-L162 HydrophobicContact CD1-CD2 4.26Å; L119-L180 HydrophobicContact CD2-CD1 4.24Å; L119-L188 HydrophobicContact CD2-CB 4.02Å; L119-L188 HydrophobicContact CD2-CD1 4.37Å; L119-L188 HydrophobicContact CD2-CD2 4.27Å; L119-L188 HydrophobicContact CD2-CG 4.45Å; L119-I192 HydrophobicContact CD1-CG2 4.27Å; L119-I192 HydrophobicContact CD2-CG2 4.14Å |
| 120 | E | 87.4 | Confident | 87.1 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.6 | 175.8 | -81.7 | 172.5 | -170.5 | 0 | 0 | 114.6 | T116 S118 M122 R155 A158 H159 | T116-E120 HydrophobicContact CG2-CG 4.24Å; T116-E120 WeakPolarHBondContact CG2-OE1 3.39Å; T116-E120 VanDerWaalsContact O-CG 3.28Å; T116-E120 WeakPolarHBondContact O-CG 3.15Å; T116-E120 PolarHBondContact O-N 2.78Å; S118-E120 VanDerWaalsContact C-N 3.34Å; E120-M122 PolarHBondContact O-N 3.23Å; E120-R155 HydrophobicContact CB-CB 4.41Å; E120-R155 IonicContact OE2-CZ 3.11Å; E120-R155 IonicContact OE2-NE 3.65Å; E120-R155 PolarHBondContact OE2-NE 3.24Å; E120-R155 IonicContact OE2-NH2 3.08Å; E120-R155 PolarHBondContact OE2-NH2 3.13Å; E120-A158 HydrophobicContact CB-CB 4.38Å; E120-A158 HydrophobicContact CG-CB 4.47Å; E120-A158 WeakPolarHBondContact O-CB 3.37Å; E120-H159 HydrophobicContact CG-CB 4.12Å; E120-H159 IonicContact OE1-CE1 3.63Å; E120-H159 IonicContact OE1-CG 2.77Å; E120-H159 IonicContact OE1-ND1 2.65Å; E120-H159 PolarHBondContact OE1-ND1 2.75Å |
| 121 | D | 83.1 | Confident | 87.2 | Confident | 101 Ų | 101 | 49.7 Ų | 49.7 | 54% | 0.54 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.6 | 177 | -66.9 | -39.3 | 0 | 0 | 0 | 113.2 | L119 R155 | L119-D121 PolarHBondContact O-N 2.89Å; L119-D121 VanDerWaalsContact O-N 3.11Å; D121-R155 IonicContact OD1-CZ 3.62Å; D121-R155 IonicContact OD1-NH1 2.86Å; D121-R155 PolarHBondContact OD1-NH1 3.42Å; D121-R155 IonicContact OD2-NH1 3.06Å; D121-R155 PolarHBondContact OD2-NH1 3.15Å |
| 122 | M | 88.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -65.3 | 153.9 | 174.1 | 72.5 | 178.3 | 117.1 | 0 | 0 | 112.3 | L119 E120 T124 V127 N154 A158 L161 L162 F176 L188 | L119-M122 HydrophobicContact CB-CE 4.41Å; L119-M122 WeakPolarHBondContact O-CB 3.32Å; L119-M122 VanDerWaalsContact O-CE 3.28Å; L119-M122 WeakPolarHBondContact O-CE 3.09Å; L119-M122 VanDerWaalsContact O-CG 3.25Å; L119-M122 WeakPolarHBondContact O-CG 3.21Å; L119-M122 PolarHBondContact O-N 3.42Å; L119-M122 VanDerWaalsContact O-N 3.08Å; E120-M122 PolarHBondContact O-N 3.23Å; M122-T124 VanDerWaalsContact C-N 3.32Å; M122-T124 PolarHBondContact O-N 3.3Å; M122-T124 PolarHBondContact O-OG1 3.25Å; M122-V127 HydrophobicContact CB-CG2 4.4Å; M122-V127 HydrophobicContact CG-CG2 4.46Å; M122-V127 HydrophobicContact SD-CB 4.08Å; M122-V127 HydrophobicContact SD-CG1 3.86Å; M122-V127 HydrophobicContact SD-CG2 3.98Å; M122-N154 PolarHBondContact O-ND2 3.24Å; M122-A158 HydrophobicContact CE-CB 4.11Å; M122-A158 HydrophobicContact CG-CB 4.1Å; M122-L161 HydrophobicContact CE-CD2 4.3Å; M122-L162 HydrophobicContact CE-CD1 3.75Å; M122-L162 HydrophobicContact CE-CD2 3.58Å; M122-L162 HydrophobicContact CE-CG 3.52Å; M122-F176 HydrophobicContact CE-CZ 4.41Å; M122-L188 HydrophobicContact CB-CD1 3.7Å |
| 123 | K | 89.4 | Confident | 87 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | trans | -74.4 | 88.6 | 168.3 | -60.3 | 177 | -177.3 | 175 | 0 | 109.5 | E125 E126 V127 H185 | K123-E125 PolarHBondContact O-N 3.25Å; K123-E125 VanDerWaalsContact O-N 3.09Å; K123-E126 HydrophobicContact CB-CB 4.3Å; K123-E126 HydrophobicContact CB-CG 4.3Å; K123-E126 HydrophobicContact CD-CG 4.32Å; K123-E126 WeakPolarHBondContact CD-OE1 3.38Å; K123-E126 VanDerWaalsContact CD-OE2 3.23Å; K123-E126 WeakPolarHBondContact CD-OE2 3.43Å; K123-E126 IonicContact NZ-OE1 3.67Å; K123-E126 PolarHBondContact NZ-OE1 2.95Å; K123-E126 IonicContact NZ-OE2 2.79Å; K123-E126 PolarHBondContact NZ-OE2 3.35Å; K123-E126 PolarHBondContact O-N 3.11Å; K123-E126 VanDerWaalsContact O-N 3.13Å; K123-V127 PolarHBondContact O-N 3.31Å; K123-V127 VanDerWaalsContact O-N 3.15Å; K123-H185 PolarHBondContact N-NE2 2.93Å | ||
| 124 | T | 89.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.3 | -36.1 | -172 | -51.4 | 0 | 0 | 0 | 0 | 113 | M122 L128 I145 N154 A158 L161 | M122-T124 VanDerWaalsContact C-N 3.32Å; M122-T124 PolarHBondContact O-N 3.3Å; M122-T124 PolarHBondContact O-OG1 3.25Å; T124-L128 WeakPolarHBondContact O-CA 3.17Å; T124-L128 WeakPolarHBondContact O-CB 3.18Å; T124-L128 PolarHBondContact O-N 3.23Å; T124-I145 HydrophobicContact CG2-CG2 3.86Å; T124-N154 WeakPolarHBondContact CB-OD1 3.47Å; T124-N154 PolarHBondContact OG1-O 3.47Å; T124-N154 PolarHBondContact OG1-OD1 2.82Å; T124-A158 WeakPolarHBondContact OG1-CB 3.26Å; T124-A158 PolarHBondContact OG1-N 3.03Å; T124-L161 HydrophobicContact CG2-CD1 4.04Å |
| 125 | E | 86.6 | Confident | 86.8 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.1 | -43.3 | -179.2 | -162.4 | 169 | 168.9 | 0 | 0 | 113.4 | K123 T129 K149 | K123-E125 PolarHBondContact O-N 3.25Å; K123-E125 VanDerWaalsContact O-N 3.09Å; E125-T129 WeakPolarHBondContact O-CB 3.35Å; E125-T129 PolarHBondContact O-N 3.48Å; E125-T129 VanDerWaalsContact O-N 3.09Å; E125-T129 PolarHBondContact O-OG1 3.27Å; E125-K149 IonicContact OE2-NZ 3.86Å; E125-K149 PolarHBondContact OE2-NZ 3.47Å |
| 126 | E | 88.8 | Confident | 86.6 | Confident | 82 Ų | 82 | 54 Ų | 54 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 178.8 | -65.4 | 179.5 | -165.9 | 0 | 0 | 110.4 | K123 Q130 T183 | K123-E126 HydrophobicContact CB-CB 4.3Å; K123-E126 HydrophobicContact CB-CG 4.3Å; K123-E126 HydrophobicContact CD-CG 4.32Å; K123-E126 WeakPolarHBondContact CD-OE1 3.38Å; K123-E126 VanDerWaalsContact CD-OE2 3.23Å; K123-E126 WeakPolarHBondContact CD-OE2 3.43Å; K123-E126 IonicContact NZ-OE1 3.67Å; K123-E126 PolarHBondContact NZ-OE1 2.95Å; K123-E126 IonicContact NZ-OE2 2.79Å; K123-E126 PolarHBondContact NZ-OE2 3.35Å; K123-E126 PolarHBondContact O-N 3.11Å; K123-E126 VanDerWaalsContact O-N 3.13Å; E126-Q130 WeakPolarHBondContact O-CG 3.46Å; E126-Q130 PolarHBondContact O-N 3.31Å; E126-T183 HydrophobicContact CB-CG2 4.24Å |
| 127 | V | 89.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | M122 K123 T129 Q130 C131 L161 F176 I179 L180 T183 | M122-V127 HydrophobicContact CB-CG2 4.4Å; M122-V127 HydrophobicContact CG-CG2 4.46Å; M122-V127 HydrophobicContact SD-CB 4.08Å; M122-V127 HydrophobicContact SD-CG1 3.86Å; M122-V127 HydrophobicContact SD-CG2 3.98Å; K123-V127 PolarHBondContact O-N 3.31Å; K123-V127 VanDerWaalsContact O-N 3.15Å; V127-T129 PolarHBondContact O-N 3.02Å; V127-Q130 PolarHBondContact O-N 2.84Å; V127-C131 PolarHBondContact O-N 3.5Å; V127-C131 PolarHBondContact O-SG 2.92Å; V127-L161 HydrophobicContact CG1-CD1 4.18Å; V127-L161 HydrophobicContact CG1-CD2 4.37Å; V127-F176 HydrophobicContact CG1-CE2 3.92Å; V127-I179 HydrophobicContact CG1-CG2 4Å; V127-L180 HydrophobicContact CG2-CD2 4.19Å; V127-T183 HydrophobicContact CG2-CG2 4.41Å |
| 128 | L | 89.3 | Confident | 86.2 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 179.1 | -179.8 | 58.8 | 0 | 0 | 0 | 111.9 | T124 Q130 C131 L132 L137 Q142 I145 E146 L161 | T124-L128 WeakPolarHBondContact O-CA 3.17Å; T124-L128 WeakPolarHBondContact O-CB 3.18Å; T124-L128 PolarHBondContact O-N 3.23Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-Q130 PolarHBondContact O-N 3.5Å; L128-C131 PolarHBondContact O-N 2.98Å; L128-L132 HydrophobicContact CD1-CD1 4.37Å; L128-L132 HydrophobicContact CD1-CG 4.48Å; L128-L132 HydrophobicContact CG-CD1 4.2Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.07Å; L128-L137 HydrophobicContact CD1-CD1 3.73Å; L128-Q142 HydrophobicContact CD2-CG 3.95Å; L128-Q142 HydrophobicContact CG-CG 4.32Å; L128-I145 HydrophobicContact CD1-CB 4.5Å; L128-I145 HydrophobicContact CD1-CD1 3.71Å; L128-I145 HydrophobicContact CD1-CG2 4.43Å; L128-I145 HydrophobicContact CD2-CB 4.09Å; L128-I145 HydrophobicContact CD2-CG2 3.77Å; L128-E146 HydrophobicContact CD2-CG 4.03Å; L128-L161 HydrophobicContact CB-CD1 3.95Å; L128-L161 HydrophobicContact CD1-CD1 4.22Å |
| 129 | T | 88.7 | Confident | 85.9 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | E125 V127 A133 | E125-T129 WeakPolarHBondContact O-CB 3.35Å; E125-T129 PolarHBondContact O-N 3.48Å; E125-T129 VanDerWaalsContact O-N 3.09Å; E125-T129 PolarHBondContact O-OG1 3.27Å; V127-T129 PolarHBondContact O-N 3.02Å; T129-A133 PolarHBondContact O-N 3.45Å; T129-A133 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 87.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74 | -36.1 | 178 | -69.6 | -66 | -31.7 | 0 | 0 | 112.7 | E126 V127 L128 L132 A133 R134 I179 T183 | E126-Q130 WeakPolarHBondContact O-CG 3.46Å; E126-Q130 PolarHBondContact O-N 3.31Å; V127-Q130 PolarHBondContact O-N 2.84Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-Q130 PolarHBondContact O-N 3.5Å; Q130-L132 VanDerWaalsContact C-N 3.28Å; Q130-L132 PolarHBondContact O-N 3.27Å; Q130-A133 PolarHBondContact O-N 3.41Å; Q130-R134 PolarHBondContact O-N 2.86Å; Q130-I179 HydrophobicContact CB-CB 4.44Å; Q130-I179 HydrophobicContact CB-CD1 4.43Å; Q130-I179 HydrophobicContact CB-CG1 4.1Å; Q130-I179 HydrophobicContact CB-CG2 3.6Å; Q130-I179 HydrophobicContact CG-CG2 4.48Å; Q130-T183 HydrophobicContact CG-CG2 3.91Å |
| 131 | C | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 173.9 | -71.3 | 0 | 0 | 0 | 0 | 112 | V127 L128 F135 L136 L137 I165 I179 | V127-C131 PolarHBondContact O-N 3.5Å; V127-C131 PolarHBondContact O-SG 2.92Å; L128-C131 PolarHBondContact O-N 2.98Å; C131-F135 PolarHBondContact O-N 3.49Å; C131-L136 HydrophobicContact CB-CB 4.35Å; C131-L136 PolarHBondContact O-N 3.23Å; C131-L137 HydrophobicContact CB-CB 4.44Å; C131-L137 HydrophobicContact CB-CD1 3.74Å; C131-L137 HydrophobicContact CB-CG 4.04Å; C131-L137 PolarHBondContact O-N 3.03Å; C131-I165 VanDerWaalsContact SG-CD1 3.58Å; C131-I179 HydrophobicContact CB-CD1 4.43Å |
| 132 | L | 86.4 | Confident | 85.2 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 174.1 | -68.2 | 160.9 | 0 | 0 | 0 | 111.8 | L128 Q130 R134 F135 L137 T138 Q142 | L128-L132 HydrophobicContact CD1-CD1 4.37Å; L128-L132 HydrophobicContact CD1-CG 4.48Å; L128-L132 HydrophobicContact CG-CD1 4.2Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.07Å; Q130-L132 VanDerWaalsContact C-N 3.28Å; Q130-L132 PolarHBondContact O-N 3.27Å; L132-R134 PolarHBondContact O-N 3.42Å; L132-F135 PolarHBondContact O-N 3.04Å; L132-L137 HydrophobicContact CD2-CB 4.25Å; L132-T138 WeakPolarHBondContact CD2-O 3.22Å; L132-Q142 HydrophobicContact CD1-CB 3.85Å; L132-Q142 HydrophobicContact CD1-CG 3.73Å; L132-Q142 HydrophobicContact CD2-CB 4.12Å |
| 133 | A | 84.5 | Confident | 85 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 55% | 0.554 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.8 | -28 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | T129 Q130 | T129-A133 PolarHBondContact O-N 3.45Å; T129-A133 VanDerWaalsContact O-N 3.11Å; Q130-A133 PolarHBondContact O-N 3.41Å |
| 134 | R | 82.8 | Confident | 84.5 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 11.7 | 176 | -59.7 | -158.3 | -173.4 | -167.4 | 3.1 | 114.3 | Q130 L132 L136 E175 I179 | Q130-R134 PolarHBondContact O-N 2.86Å; L132-R134 PolarHBondContact O-N 3.42Å; R134-L136 HydrophobicContact CB-CG 4.43Å; R134-L136 PolarHBondContact O-N 3.23Å; R134-L136 VanDerWaalsContact O-N 3.13Å; R134-E175 WeakPolarHBondContact CD-OE2 3.16Å; R134-E175 IonicContact CZ-OE2 3.56Å; R134-E175 IonicContact NE-OE2 3.17Å; R134-E175 IonicContact NH1-OE2 3.17Å; R134-E175 PolarHBondContact NH1-OE2 2.88Å; R134-I179 HydrophobicContact CB-CD1 4.47Å; R134-I179 HydrophobicContact CG-CD1 4.41Å |
| 135 | F | 82.3 | Confident | 84.4 | Confident | 195 Ų | 195 | 58.9 Ų | 58.9 | 86% | 0.855 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 24 | 179.7 | -53.3 | -79.9 | 0 | 0 | 0 | 114.9 | C131 L132 | C131-F135 PolarHBondContact O-N 3.49Å; L132-F135 PolarHBondContact O-N 3.04Å |
| 136 | L | 83 | Confident | 84.4 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -76.1 | -27.2 | 173.3 | -66.8 | -178.4 | 0 | 0 | 0 | 111.9 | C131 R134 I165 C168 W172 E175 F176 I179 | C131-L136 HydrophobicContact CB-CB 4.35Å; C131-L136 PolarHBondContact O-N 3.23Å; R134-L136 HydrophobicContact CB-CG 4.43Å; R134-L136 PolarHBondContact O-N 3.23Å; R134-L136 VanDerWaalsContact O-N 3.13Å; L136-I165 HydrophobicContact CB-CG1 4.47Å; L136-I165 HydrophobicContact CD1-CD1 4.31Å; L136-C168 PolarHBondContact O-SG 3.18Å; L136-W172 HydrophobicContact CD2-CB 4.03Å; L136-E175 HydrophobicContact CD1-CB 3.88Å; L136-E175 HydrophobicContact CD2-CB 4.08Å; L136-E175 HydrophobicContact CG-CB 4.36Å; L136-F176 HydrophobicContact CD1-CB 4.48Å; L136-I179 HydrophobicContact CD1-CD1 3.6Å |
| 137 | L | 84.8 | Confident | 84.2 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -130.3 | 157.8 | 178.2 | -64.5 | 176.2 | 0 | 0 | 0 | 110.1 | L128 C131 L132 D141 I145 L161 R164 I165 | L128-L137 HydrophobicContact CD1-CD1 3.73Å; C131-L137 HydrophobicContact CB-CB 4.44Å; C131-L137 HydrophobicContact CB-CD1 3.74Å; C131-L137 HydrophobicContact CB-CG 4.04Å; C131-L137 PolarHBondContact O-N 3.03Å; L132-L137 HydrophobicContact CD2-CB 4.25Å; L137-D141 HydrophobicContact CB-CB 4.15Å; L137-D141 HydrophobicContact CD2-CB 4.35Å; L137-I145 HydrophobicContact CD1-CD1 3.94Å; L137-L161 HydrophobicContact CD1-CG 4.04Å; L137-R164 HydrophobicContact CD2-CB 3.76Å; L137-I165 HydrophobicContact CD2-CG1 4.44Å |
| 138 | T | 81 | Confident | 84 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | trans | -98.9 | 163.9 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | L132 A140 D141 Q142 | L132-T138 WeakPolarHBondContact CD2-O 3.22Å; T138-A140 PolarHBondContact O-N 3.25Å; T138-D141 WeakPolarHBondContact CB-OD2 3.43Å; T138-D141 PolarHBondContact N-OD2 2.64Å; T138-D141 WeakPolarHBondContact O-CA 3.43Å; T138-D141 WeakPolarHBondContact O-CB 3.4Å; T138-D141 PolarHBondContact O-N 3.06Å; T138-D141 PolarHBondContact OG1-N 2.86Å; T138-D141 PolarHBondContact OG1-OD2 3.5Å; T138-Q142 PolarHBondContact O-N 3.44Å | ||
| 139 | A | 77.6 | Confident | 83.9 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.2 | -33 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q142 E143 | A139-Q142 WeakPolarHBondContact O-CB 3.47Å; A139-Q142 PolarHBondContact O-N 3.23Å; A139-E143 PolarHBondContact O-N 3.42Å |
| 140 | A | 75.3 | Confident | 83.9 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.6 | -31.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | T138 | T138-A140 PolarHBondContact O-N 3.25Å |
| 141 | D | 81.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 172.1 | -63 | -50.2 | 0 | 0 | 0 | 110.8 | K25 Q28 L137 T138 R144 I145 R164 | K25-D141 IonicContact NZ-OD1 3.74Å; K25-D141 IonicContact NZ-OD2 2.72Å; Q28-D141 PolarHBondContact NE2-OD1 2.77Å; L137-D141 HydrophobicContact CB-CB 4.15Å; L137-D141 HydrophobicContact CD2-CB 4.35Å; T138-D141 WeakPolarHBondContact CB-OD2 3.43Å; T138-D141 PolarHBondContact N-OD2 2.64Å; T138-D141 WeakPolarHBondContact O-CA 3.43Å; T138-D141 WeakPolarHBondContact O-CB 3.4Å; T138-D141 PolarHBondContact O-N 3.06Å; T138-D141 PolarHBondContact OG1-N 2.86Å; T138-D141 PolarHBondContact OG1-OD2 3.5Å; D141-R144 PolarHBondContact O-N 3.22Å; D141-I145 HydrophobicContact CB-CD1 4.45Å; D141-I145 WeakPolarHBondContact O-CB 3.36Å; D141-I145 WeakPolarHBondContact O-CD1 3.33Å; D141-I145 WeakPolarHBondContact O-CG1 3.46Å; D141-I145 PolarHBondContact O-N 3.02Å; D141-R164 WeakPolarHBondContact OD1-CD 3.44Å; D141-R164 IonicContact OD1-NE 3.62Å; D141-R164 PolarHBondContact OD1-NE 3.28Å |
| 142 | Q | 85.3 | Confident | 83.6 | Confident | 59 Ų | 59 | 69 Ų | 69 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.3 | -53.3 | 176.9 | -176.1 | -177.6 | 0.5 | 0 | 0 | 112 | L128 L132 T138 A139 R144 I145 E146 | L128-Q142 HydrophobicContact CD2-CG 3.95Å; L128-Q142 HydrophobicContact CG-CG 4.32Å; L132-Q142 HydrophobicContact CD1-CB 3.85Å; L132-Q142 HydrophobicContact CD1-CG 3.73Å; L132-Q142 HydrophobicContact CD2-CB 4.12Å; T138-Q142 PolarHBondContact O-N 3.44Å; A139-Q142 WeakPolarHBondContact O-CB 3.47Å; A139-Q142 PolarHBondContact O-N 3.23Å; Q142-R144 PolarHBondContact O-N 2.89Å; Q142-I145 PolarHBondContact O-N 3.22Å; Q142-E146 HydrophobicContact CG-CG 4.27Å; Q142-E146 VanDerWaalsContact CG-OE1 3.31Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.33Å; Q142-E146 PolarHBondContact NE2-OE1 3.07Å; Q142-E146 WeakPolarHBondContact O-CB 3.23Å; Q142-E146 WeakPolarHBondContact O-CG 3.35Å; Q142-E146 PolarHBondContact O-N 3.41Å |
| 143 | E | 82.9 | Confident | 83.5 | Confident | 142 Ų | 142 | 69 Ų | 69 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55.9 | -38.5 | -178.3 | -71.7 | 178.9 | -179.6 | 0 | 0 | 112.1 | A139 A147 | A139-E143 PolarHBondContact O-N 3.42Å; E143-A147 VanDerWaalsContact O-CB 3.25Å; E143-A147 WeakPolarHBondContact O-CB 3.18Å; E143-A147 PolarHBondContact O-N 3.23Å |
| 144 | R | 80.3 | Confident | 83.7 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.3 | -41.5 | 179.5 | -69.5 | -177.5 | -174.9 | -137 | 15.7 | 113.1 | D27 D141 Q142 E146 A147 E148 | D27-R144 IonicContact OD2-CZ 3.86Å; D27-R144 IonicContact OD2-NE 3.89Å; D27-R144 IonicContact OD2-NH1 3.69Å; D27-R144 PolarHBondContact OD2-NH1 3.42Å; D27-R144 IonicContact OD2-NH2 3.6Å; D27-R144 PolarHBondContact OD2-NH2 2.97Å; D141-R144 PolarHBondContact O-N 3.22Å; Q142-R144 PolarHBondContact O-N 2.89Å; R144-E146 VanDerWaalsContact C-N 3.29Å; R144-A147 PolarHBondContact O-N 2.9Å; R144-E148 WeakPolarHBondContact O-CB 3.4Å; R144-E148 PolarHBondContact O-N 2.96Å |
| 145 | I | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 176.4 | -67.5 | 163.4 | 0 | 0 | 0 | 109.8 | T124 L128 L137 D141 Q142 E148 K149 E160 L161 | T124-I145 HydrophobicContact CG2-CG2 3.86Å; L128-I145 HydrophobicContact CD1-CB 4.5Å; L128-I145 HydrophobicContact CD1-CD1 3.71Å; L128-I145 HydrophobicContact CD1-CG2 4.43Å; L128-I145 HydrophobicContact CD2-CB 4.09Å; L128-I145 HydrophobicContact CD2-CG2 3.77Å; L137-I145 HydrophobicContact CD1-CD1 3.94Å; D141-I145 HydrophobicContact CB-CD1 4.45Å; D141-I145 WeakPolarHBondContact O-CB 3.36Å; D141-I145 WeakPolarHBondContact O-CD1 3.33Å; D141-I145 WeakPolarHBondContact O-CG1 3.46Å; D141-I145 PolarHBondContact O-N 3.02Å; Q142-I145 PolarHBondContact O-N 3.22Å; I145-E148 PolarHBondContact O-N 3.06Å; I145-K149 WeakPolarHBondContact O-CB 3.25Å; I145-K149 PolarHBondContact O-N 2.65Å; I145-E160 HydrophobicContact CG1-CG 4.25Å; I145-L161 HydrophobicContact CD1-CB 3.95Å; I145-L161 HydrophobicContact CD1-CG 4.23Å; I145-L161 HydrophobicContact CG1-CB 4.43Å; I145-L161 HydrophobicContact CG2-CB 4.27Å |
| 146 | E | 87.2 | Confident | 84 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 174.9 | -74.1 | 179.9 | -175.5 | 0 | 0 | 112.3 | L128 Q142 R144 K149 T150 | L128-E146 HydrophobicContact CD2-CG 4.03Å; Q142-E146 HydrophobicContact CG-CG 4.27Å; Q142-E146 VanDerWaalsContact CG-OE1 3.31Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.33Å; Q142-E146 PolarHBondContact NE2-OE1 3.07Å; Q142-E146 WeakPolarHBondContact O-CB 3.23Å; Q142-E146 WeakPolarHBondContact O-CG 3.35Å; Q142-E146 PolarHBondContact O-N 3.41Å; R144-E146 VanDerWaalsContact C-N 3.29Å; E146-K149 PolarHBondContact O-N 2.96Å; E146-T150 VanDerWaalsContact O-CB 3.32Å; E146-T150 WeakPolarHBondContact O-CB 3.33Å; E146-T150 PolarHBondContact O-N 2.99Å; E146-T150 PolarHBondContact O-OG1 3.5Å |
| 147 | A | 84.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E143 R144 T150 N151 | E143-A147 VanDerWaalsContact O-CB 3.25Å; E143-A147 WeakPolarHBondContact O-CB 3.18Å; E143-A147 PolarHBondContact O-N 3.23Å; R144-A147 PolarHBondContact O-N 2.9Å; A147-T150 PolarHBondContact O-N 3.41Å; A147-N151 WeakPolarHBondContact O-CB 3.49Å; A147-N151 VanDerWaalsContact O-CG 3.23Å; A147-N151 PolarHBondContact O-N 3.02Å; A147-N151 PolarHBondContact O-ND2 3.29Å |
| 148 | E | 85.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.3 | -38.4 | -179.9 | -169.4 | 58.9 | -159.9 | 0 | 0 | 112 | R144 I145 H152 R156 E160 | R144-E148 WeakPolarHBondContact O-CB 3.4Å; R144-E148 PolarHBondContact O-N 2.96Å; I145-E148 PolarHBondContact O-N 3.06Å; E148-H152 WeakPolarHBondContact O-CA 3.34Å; E148-H152 PolarHBondContact O-N 3.41Å; E148-H152 IonicContact OE1-CE1 2.72Å; E148-H152 IonicContact OE1-CG 3.89Å; E148-H152 IonicContact OE1-ND1 2.92Å; E148-H152 PolarHBondContact OE1-ND1 3.27Å; E148-H152 IonicContact OE2-CE1 3.71Å; E148-H152 IonicContact OE2-ND1 3.12Å; E148-H152 PolarHBondContact OE2-ND1 3.09Å; E148-R156 HydrophobicContact CG-CB 4.09Å; E148-E160 HydrophobicContact CG-CB 4.3Å |
| 149 | K | 88.6 | Confident | 84.7 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 170.8 | 174.8 | -176 | 159.9 | -159.6 | 0 | 111.8 | E125 I145 E146 G153 | E125-K149 IonicContact OE2-NZ 3.86Å; E125-K149 PolarHBondContact OE2-NZ 3.47Å; I145-K149 WeakPolarHBondContact O-CB 3.25Å; I145-K149 PolarHBondContact O-N 2.65Å; E146-K149 PolarHBondContact O-N 2.96Å; K149-G153 CarbonylContact O-C 3.52Å; K149-G153 WeakPolarHBondContact O-CA 3.36Å; K149-G153 PolarHBondContact O-N 2.9Å |
| 150 | T | 87.5 | Confident | 85.1 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | -178.2 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | E146 A147 | E146-T150 VanDerWaalsContact O-CB 3.32Å; E146-T150 WeakPolarHBondContact O-CB 3.33Å; E146-T150 PolarHBondContact O-N 2.99Å; E146-T150 PolarHBondContact O-OG1 3.5Å; A147-T150 PolarHBondContact O-N 3.41Å |
| 151 | N | 84.4 | Confident | 85.8 | Confident | 115 Ų | 115 | 62.6 Ų | 62.6 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -82.1 | -36.5 | -176.6 | -67.2 | -27.9 | 0 | 0 | 0 | 113.2 | A147 | A147-N151 WeakPolarHBondContact O-CB 3.49Å; A147-N151 VanDerWaalsContact O-CG 3.23Å; A147-N151 PolarHBondContact O-N 3.02Å; A147-N151 PolarHBondContact O-ND2 3.29Å |
| 152 | H | 84.7 | Confident | 86.2 | Confident | 115 Ų | 115 | 62.6 Ų | 62.6 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -129 | 6 | -168.7 | -54.7 | 112.6 | 0 | 0 | 0 | 114.4 | E148 R156 | E148-H152 WeakPolarHBondContact O-CA 3.34Å; E148-H152 PolarHBondContact O-N 3.41Å; E148-H152 IonicContact OE1-CE1 2.72Å; E148-H152 IonicContact OE1-CG 3.89Å; E148-H152 IonicContact OE1-ND1 2.92Å; E148-H152 PolarHBondContact OE1-ND1 3.27Å; E148-H152 IonicContact OE2-CE1 3.71Å; E148-H152 IonicContact OE2-ND1 3.12Å; E148-H152 PolarHBondContact OE2-ND1 3.09Å; H152-R156 HydrophobicContact CB-CB 3.73Å; H152-R156 HydrophobicContact CB-CG 3.79Å |
| 153 | G | 84.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 62 Ų | 62 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | trans | 90.7 | 168.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | K149 R155 R156 G157 | K149-G153 CarbonylContact O-C 3.52Å; K149-G153 WeakPolarHBondContact O-CA 3.36Å; K149-G153 PolarHBondContact O-N 2.9Å; G153-R155 VanDerWaalsContact C-N 3.31Å; G153-R155 PolarHBondContact O-N 3.03Å; G153-R156 PolarHBondContact O-N 3.48Å; G153-R156 VanDerWaalsContact O-N 3.1Å; G153-G157 PolarHBondContact O-N 3.48Å | ||
| 154 | N | 87.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.3 | -39.8 | -171 | -172.6 | 70.8 | 0 | 0 | 0 | 114.1 | M122 T124 R156 G157 A158 | M122-N154 PolarHBondContact O-ND2 3.24Å; T124-N154 WeakPolarHBondContact CB-OD1 3.47Å; T124-N154 PolarHBondContact OG1-O 3.47Å; T124-N154 PolarHBondContact OG1-OD1 2.82Å; N154-R156 VanDerWaalsContact C-N 3.34Å; N154-R156 PolarHBondContact O-N 2.84Å; N154-G157 PolarHBondContact O-N 3.21Å; N154-A158 WeakPolarHBondContact O-CB 3.5Å; N154-A158 PolarHBondContact O-N 3.48Å |
| 155 | R | 86.7 | Confident | 86.6 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 179.5 | -68.6 | -173.2 | 66.9 | 111.5 | 5 | 112.6 | P117 E120 D121 G153 A158 H159 | P117-R155 PolarHBondContact O-NH2 3.3Å; P117-R155 VanDerWaalsContact O-NH2 3.09Å; E120-R155 HydrophobicContact CB-CB 4.41Å; E120-R155 IonicContact OE2-CZ 3.11Å; E120-R155 IonicContact OE2-NE 3.65Å; E120-R155 PolarHBondContact OE2-NE 3.24Å; E120-R155 IonicContact OE2-NH2 3.08Å; E120-R155 PolarHBondContact OE2-NH2 3.13Å; D121-R155 IonicContact OD1-CZ 3.62Å; D121-R155 IonicContact OD1-NH1 2.86Å; D121-R155 PolarHBondContact OD1-NH1 3.42Å; D121-R155 IonicContact OD2-NH1 3.06Å; D121-R155 PolarHBondContact OD2-NH1 3.15Å; G153-R155 VanDerWaalsContact C-N 3.31Å; G153-R155 PolarHBondContact O-N 3.03Å; R155-A158 PolarHBondContact O-N 2.9Å; R155-H159 WeakPolarHBondContact O-CB 3.39Å; R155-H159 PolarHBondContact O-N 2.94Å |
| 156 | R | 84.8 | Confident | 86.7 | Confident | 141 Ų | 141 | 52.1 Ų | 52.1 | 53% | 0.532 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.5 | -38.1 | 177.6 | -72.2 | -70.1 | -115.9 | -165.7 | -2.1 | 111.7 | E148 H152 G153 N154 H159 E160 | E148-R156 HydrophobicContact CG-CB 4.09Å; H152-R156 HydrophobicContact CB-CB 3.73Å; H152-R156 HydrophobicContact CB-CG 3.79Å; G153-R156 PolarHBondContact O-N 3.48Å; G153-R156 VanDerWaalsContact O-N 3.1Å; N154-R156 VanDerWaalsContact C-N 3.34Å; N154-R156 PolarHBondContact O-N 2.84Å; R156-H159 PolarHBondContact O-N 3.28Å; R156-E160 WeakPolarHBondContact O-CB 3.32Å; R156-E160 PolarHBondContact O-N 3.35Å |
| 157 | G | 88.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | G153 N154 E160 L161 | G153-G157 PolarHBondContact O-N 3.48Å; N154-G157 PolarHBondContact O-N 3.21Å; G157-E160 PolarHBondContact O-N 3.03Å; G157-L161 WeakPolarHBondContact O-CB 3.5Å; G157-L161 PolarHBondContact O-N 3.36Å |
| 158 | A | 88.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E120 M122 T124 N154 R155 E160 L161 L162 | E120-A158 HydrophobicContact CB-CB 4.38Å; E120-A158 HydrophobicContact CG-CB 4.47Å; E120-A158 WeakPolarHBondContact O-CB 3.37Å; M122-A158 HydrophobicContact CE-CB 4.11Å; M122-A158 HydrophobicContact CG-CB 4.1Å; T124-A158 WeakPolarHBondContact OG1-CB 3.26Å; T124-A158 PolarHBondContact OG1-N 3.03Å; N154-A158 WeakPolarHBondContact O-CB 3.5Å; N154-A158 PolarHBondContact O-N 3.48Å; R155-A158 PolarHBondContact O-N 2.9Å; A158-E160 VanDerWaalsContact C-N 3.31Å; A158-E160 PolarHBondContact O-N 3.45Å; A158-L161 WeakPolarHBondContact O-CB 3.2Å; A158-L161 PolarHBondContact O-N 2.99Å; A158-L162 WeakPolarHBondContact O-CG 3.44Å; A158-L162 PolarHBondContact O-N 3.48Å |
| 159 | H | 87.8 | Confident | 86.2 | Confident | 53 Ų | 53 | 53.3 Ų | 53.3 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.9 | -173.2 | 86 | 0 | 0 | 0 | 111.5 | T116 E120 R155 R156 L161 L162 N163 | T116-H159 WeakPolarHBondContact CG2-ND1 3.37Å; E120-H159 HydrophobicContact CG-CB 4.12Å; E120-H159 IonicContact OE1-CE1 3.63Å; E120-H159 IonicContact OE1-CG 2.77Å; E120-H159 IonicContact OE1-ND1 2.65Å; E120-H159 PolarHBondContact OE1-ND1 2.75Å; R155-H159 WeakPolarHBondContact O-CB 3.39Å; R155-H159 PolarHBondContact O-N 2.94Å; R156-H159 PolarHBondContact O-N 3.28Å; H159-L161 VanDerWaalsContact C-N 3.34Å; H159-L161 PolarHBondContact O-N 3.49Å; H159-L162 PolarHBondContact O-N 2.89Å; H159-N163 PolarHBondContact CD2-ND2 2.71Å; H159-N163 PolarHBondContact NE2-ND2 2.91Å; H159-N163 PolarHBondContact O-N 3.49Å |
| 160 | E | 85.7 | Confident | 85.9 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -33 | -179.8 | -172.5 | 62.4 | -172.6 | 0 | 0 | 112.6 | I145 E148 R156 G157 A158 R164 | I145-E160 HydrophobicContact CG1-CG 4.25Å; E148-E160 HydrophobicContact CG-CB 4.3Å; R156-E160 WeakPolarHBondContact O-CB 3.32Å; R156-E160 PolarHBondContact O-N 3.35Å; G157-E160 PolarHBondContact O-N 3.03Å; A158-E160 VanDerWaalsContact C-N 3.31Å; A158-E160 PolarHBondContact O-N 3.45Å; E160-R164 WeakPolarHBondContact O-CG 3.36Å; E160-R164 PolarHBondContact O-N 2.89Å; E160-R164 IonicContact OE1-CZ 3.86Å; E160-R164 IonicContact OE1-NH1 3.65Å; E160-R164 PolarHBondContact OE1-NH1 3.01Å; E160-R164 IonicContact OE1-NH2 3.53Å; E160-R164 PolarHBondContact OE1-NH2 2.93Å |
| 161 | L | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 170.5 | -176.1 | 157.2 | 0 | 0 | 0 | 111.3 | M122 T124 V127 L128 L137 I145 G157 A158 H159 N163 R164 I165 F176 | M122-L161 HydrophobicContact CE-CD2 4.3Å; T124-L161 HydrophobicContact CG2-CD1 4.04Å; V127-L161 HydrophobicContact CG1-CD1 4.18Å; V127-L161 HydrophobicContact CG1-CD2 4.37Å; L128-L161 HydrophobicContact CB-CD1 3.95Å; L128-L161 HydrophobicContact CD1-CD1 4.22Å; L137-L161 HydrophobicContact CD1-CG 4.04Å; I145-L161 HydrophobicContact CD1-CB 3.95Å; I145-L161 HydrophobicContact CD1-CG 4.23Å; I145-L161 HydrophobicContact CG1-CB 4.43Å; I145-L161 HydrophobicContact CG2-CB 4.27Å; G157-L161 WeakPolarHBondContact O-CB 3.5Å; G157-L161 PolarHBondContact O-N 3.36Å; A158-L161 WeakPolarHBondContact O-CB 3.2Å; A158-L161 PolarHBondContact O-N 2.99Å; H159-L161 VanDerWaalsContact C-N 3.34Å; H159-L161 PolarHBondContact O-N 3.49Å; L161-N163 PolarHBondContact O-N 3.35Å; L161-R164 PolarHBondContact O-N 2.93Å; L161-R164 VanDerWaalsContact O-N 3.17Å; L161-I165 HydrophobicContact CD2-CD1 4.05Å; L161-I165 PolarHBondContact O-N 3.25Å; L161-F176 HydrophobicContact CD2-CE2 4.23Å |
| 162 | L | 89.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | -179.8 | -68.7 | 170.4 | 0 | 0 | 0 | 111.8 | I112 T116 L119 M122 A158 H159 R164 I165 V166 F176 | I112-L162 HydrophobicContact CG2-CB 4.34Å; I112-L162 HydrophobicContact CG2-CD2 3.97Å; T116-L162 HydrophobicContact CG2-CD1 4.18Å; L119-L162 HydrophobicContact CB-CD1 3.63Å; L119-L162 HydrophobicContact CB-CD2 4.43Å; L119-L162 HydrophobicContact CD1-CD1 4.39Å; L119-L162 HydrophobicContact CD1-CD2 4.26Å; M122-L162 HydrophobicContact CE-CD1 3.75Å; M122-L162 HydrophobicContact CE-CD2 3.58Å; M122-L162 HydrophobicContact CE-CG 3.52Å; A158-L162 WeakPolarHBondContact O-CG 3.44Å; A158-L162 PolarHBondContact O-N 3.48Å; H159-L162 PolarHBondContact O-N 2.89Å; L162-R164 PolarHBondContact O-N 3Å; L162-I165 PolarHBondContact O-N 3.1Å; L162-V166 PolarHBondContact O-N 2.62Å; L162-F176 HydrophobicContact CD2-CE1 4.01Å; L162-F176 HydrophobicContact CD2-CZ 3.64Å |
| 163 | N | 84.9 | Confident | 86.1 | Confident | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.4 | -30 | 176.3 | -78.6 | -19.1 | 0 | 0 | 0 | 112.9 | H159 L161 V166 R167 | H159-N163 PolarHBondContact CD2-ND2 2.71Å; H159-N163 PolarHBondContact NE2-ND2 2.91Å; H159-N163 PolarHBondContact O-N 3.49Å; L161-N163 PolarHBondContact O-N 3.35Å; N163-V166 WeakPolarHBondContact O-CG2 3.47Å; N163-R167 PolarHBondContact O-NH1 3.3Å |
| 164 | R | 84.6 | Confident | 86.2 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -82.5 | -37.8 | 177.1 | -75.7 | -173.8 | 160.6 | 83.5 | 26.9 | 112.9 | D27 L137 D141 E160 L161 L162 R167 | D27-R164 IonicContact OD2-NH2 2.56Å; L137-R164 HydrophobicContact CD2-CB 3.76Å; D141-R164 WeakPolarHBondContact OD1-CD 3.44Å; D141-R164 IonicContact OD1-NE 3.62Å; D141-R164 PolarHBondContact OD1-NE 3.28Å; E160-R164 WeakPolarHBondContact O-CG 3.36Å; E160-R164 PolarHBondContact O-N 2.89Å; E160-R164 IonicContact OE1-CZ 3.86Å; E160-R164 IonicContact OE1-NH1 3.65Å; E160-R164 PolarHBondContact OE1-NH1 3.01Å; E160-R164 IonicContact OE1-NH2 3.53Å; E160-R164 PolarHBondContact OE1-NH2 2.93Å; L161-R164 PolarHBondContact O-N 2.93Å; L161-R164 VanDerWaalsContact O-N 3.17Å; L162-R164 PolarHBondContact O-N 3Å; R164-R167 PolarHBondContact O-N 3.45Å |
| 165 | I | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -34.8 | -173.7 | -130 | 162.8 | 0 | 0 | 0 | 112.3 | C131 L136 L137 L161 L162 R167 C168 W172 F176 | C131-I165 VanDerWaalsContact SG-CD1 3.58Å; L136-I165 HydrophobicContact CB-CG1 4.47Å; L136-I165 HydrophobicContact CD1-CD1 4.31Å; L137-I165 HydrophobicContact CD2-CG1 4.44Å; L161-I165 HydrophobicContact CD2-CD1 4.05Å; L161-I165 PolarHBondContact O-N 3.25Å; L162-I165 PolarHBondContact O-N 3.1Å; I165-R167 PolarHBondContact O-N 2.7Å; I165-R167 VanDerWaalsContact O-N 3.15Å; I165-C168 WeakPolarHBondContact O-CB 3.45Å; I165-C168 PolarHBondContact O-N 2.89Å; I165-C168 PolarHBondContact O-SG 3.17Å; I165-W172 HydrophobicContact CG2-CE3 3.72Å; I165-W172 HydrophobicContact CG2-CH2 4.47Å; I165-W172 HydrophobicContact CG2-CZ3 3.62Å; I165-F176 HydrophobicContact CD1-CB 4.4Å; I165-F176 HydrophobicContact CD1-CD2 3.43Å; I165-F176 VanDerWaalsContact CD1-CD2 3.43Å; I165-F176 HydrophobicContact CD1-CE2 3.89Å; I165-F176 HydrophobicContact CD1-CG 4.06Å |
| 166 | V | 87.5 | Confident | 86.4 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.6 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 113.8 | V109 I112 L162 N163 W172 | V109-V166 HydrophobicContact CG1-CB 4.15Å; V109-V166 HydrophobicContact CG2-CB 4.13Å; V109-V166 WeakPolarHBondContact CG2-O 3.33Å; I112-V166 HydrophobicContact CB-CG1 3.92Å; I112-V166 HydrophobicContact CG1-CG1 4.49Å; I112-V166 HydrophobicContact CG2-CG1 3.65Å; L162-V166 PolarHBondContact O-N 2.62Å; N163-V166 WeakPolarHBondContact O-CG2 3.47Å; V166-W172 HydrophobicContact CB-CH2 4.5Å; V166-W172 HydrophobicContact CB-CZ2 4.39Å; V166-W172 HydrophobicContact CG1-CH2 3.84Å; V166-W172 HydrophobicContact CG1-CZ2 4.18Å; V166-W172 HydrophobicContact CG1-CZ3 4.46Å |
| 167 | R | 84.3 | Confident | 86.6 | Confident | 52 Ų | 52 | 32.4 Ų | 32.4 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 3.5 | 178.5 | -60.5 | -177.5 | 178 | 114.3 | -6.3 | 112.9 | Q22 N163 R164 I165 | Q22-R167 PolarHBondContact O-NE 3.48Å; N163-R167 PolarHBondContact O-NH1 3.3Å; R164-R167 PolarHBondContact O-N 3.45Å; I165-R167 PolarHBondContact O-N 2.7Å; I165-R167 VanDerWaalsContact O-N 3.15Å |
| 168 | C | 82.1 | Confident | 86.5 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76 | 165.6 | 177.5 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | L136 I165 W172 | L136-C168 PolarHBondContact O-SG 3.18Å; I165-C168 WeakPolarHBondContact O-CB 3.45Å; I165-C168 PolarHBondContact O-N 2.89Å; I165-C168 PolarHBondContact O-SG 3.17Å; C168-W172 HydrophobicContact CB-CB 3.81Å; C168-W172 HydrophobicContact CB-CG 4.12Å |
| 169 | R | 81.3 | Confident | 86.6 | Confident | 125 Ų | 125 | 35.3 Ų | 35.3 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 148.8 | 175.9 | -75.1 | 180 | 168.9 | 165.5 | -2.6 | 111.1 | H87 D90 G171 W172 | H87-R169 HydrophobicContact CB-CG 3.88Å; D90-R169 VanDerWaalsContact CG-NH2 3.32Å; D90-R169 IonicContact OD1-CZ 3.67Å; D90-R169 IonicContact OD1-NH2 2.73Å; D90-R169 PolarHBondContact OD1-NH2 2.97Å; D90-R169 IonicContact OD2-CZ 3.14Å; D90-R169 VanDerWaalsContact OD2-CZ 3.24Å; D90-R169 IonicContact OD2-NE 3.62Å; D90-R169 PolarHBondContact OD2-NE 3.5Å; D90-R169 IonicContact OD2-NH2 3.95Å; D90-R169 PolarHBondContact OD2-NH2 3.3Å; R169-G171 PolarHBondContact O-N 3.33Å; R169-W172 VanDerWaalsContact O-CD1 3.3Å; R169-W172 PolarHBondContact O-N 2.94Å |
| 170 | P | 82 | Confident | 86.7 | Confident | 39 Ų | 39 | 32.8 Ų | 32.8 | 25% | 0.253 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 138.9 | 176.5 | -28.4 | 34.7 | 0 | 0 | 0 | 112.5 | H87 V101 N105 | H87-P170 VanDerWaalsContact CE1-CD 3.46Å; H87-P170 WeakPolarHBondContact CE1-CD 3.48Å; V101-P170 HydrophobicContact CG1-CB 3.68Å; V101-P170 HydrophobicContact CG1-CG 4.39Å; N105-P170 HydrophobicContact CB-CB 4.26Å; N105-P170 HydrophobicContact CB-CG 4.29Å |
| 171 | G | 81 | Confident | 86.7 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 47% | 0.474 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | -7.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R169 F173 S174 | R169-G171 PolarHBondContact O-N 3.33Å; G171-F173 VanDerWaalsContact C-N 3.26Å; G171-F173 PolarHBondContact O-N 2.88Å; G171-S174 PolarHBondContact O-OG 2.98Å |
| 172 | W | 88.5 | Confident | 86.5 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -31.2 | 175 | 66.6 | -92.6 | 0 | 0 | 0 | 113.3 | N105 V109 I112 L136 I165 V166 C168 R169 E175 F176 | N105-W172 PolarHBondContact OD1-NE1 3.3Å; V109-W172 HydrophobicContact CG2-CZ2 3.85Å; I112-W172 HydrophobicContact CB-CH2 4.27Å; I112-W172 HydrophobicContact CG1-CH2 3.49Å; I112-W172 VanDerWaalsContact CG1-CH2 3.49Å; I112-W172 HydrophobicContact CG1-CZ3 3.83Å; L136-W172 HydrophobicContact CD2-CB 4.03Å; I165-W172 HydrophobicContact CG2-CE3 3.72Å; I165-W172 HydrophobicContact CG2-CH2 4.47Å; I165-W172 HydrophobicContact CG2-CZ3 3.62Å; V166-W172 HydrophobicContact CB-CH2 4.5Å; V166-W172 HydrophobicContact CB-CZ2 4.39Å; V166-W172 HydrophobicContact CG1-CH2 3.84Å; V166-W172 HydrophobicContact CG1-CZ2 4.18Å; V166-W172 HydrophobicContact CG1-CZ3 4.46Å; C168-W172 HydrophobicContact CB-CB 3.81Å; C168-W172 HydrophobicContact CB-CG 4.12Å; R169-W172 VanDerWaalsContact O-CD1 3.3Å; R169-W172 PolarHBondContact O-N 2.94Å; W172-E175 PolarHBondContact O-N 3.44Å; W172-F176 HydrophobicContact CE3-CB 4.28Å; W172-F176 HydrophobicContact CZ3-CD1 4.42Å; W172-F176 VanDerWaalsContact O-CB 3.3Å; W172-F176 WeakPolarHBondContact O-CB 3.38Å; W172-F176 PolarHBondContact O-N 2.94Å |
| 173 | F | 90.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.6 | -41 | -173.2 | -178.3 | -99.8 | 0 | 0 | 0 | 112.9 | Y108 L111 I112 G171 E175 F176 R177 I192 | Y108-F173 AromaticContact CD1-CD1 3.35Å; Y108-F173 HydrophobicContact CD1-CD1 3.35Å; Y108-F173 HydrophobicContact CD1-CD2 4.08Å; Y108-F173 AromaticContact CD1-CE1 3.37Å; Y108-F173 HydrophobicContact CD1-CE1 3.37Å; Y108-F173 HydrophobicContact CD1-CE2 4.1Å; Y108-F173 AromaticContact CD1-CG 3.72Å; Y108-F173 HydrophobicContact CD1-CG 3.72Å; Y108-F173 AromaticContact CD1-CZ 3.77Å; Y108-F173 HydrophobicContact CD1-CZ 3.77Å; Y108-F173 HydrophobicContact CD2-CB 3.73Å; Y108-F173 AromaticContact CD2-CD1 3.77Å; Y108-F173 HydrophobicContact CD2-CD1 3.77Å; Y108-F173 AromaticContact CD2-CG 3.82Å; Y108-F173 HydrophobicContact CD2-CG 3.82Å; Y108-F173 AromaticContact CE1-CD1 3.51Å; Y108-F173 HydrophobicContact CE1-CD1 3.51Å; Y108-F173 AromaticContact CE1-CE1 3.43Å; Y108-F173 HydrophobicContact CE1-CE1 3.43Å; Y108-F173 VanDerWaalsContact CE1-CE1 3.43Å; Y108-F173 HydrophobicContact CE1-CG 4.32Å; Y108-F173 HydrophobicContact CE1-CZ 4.18Å; Y108-F173 HydrophobicContact CE2-CB 4.39Å; Y108-F173 AromaticContact CE2-CD1 3.89Å; Y108-F173 HydrophobicContact CE2-CD1 3.89Å; Y108-F173 HydrophobicContact CE2-CG 4.39Å; Y108-F173 HydrophobicContact CG-CB 3.81Å; Y108-F173 AromaticContact CG-CD1 3.52Å; Y108-F173 HydrophobicContact CG-CD1 3.52Å; Y108-F173 AromaticContact CG-CD2 3.94Å; Y108-F173 HydrophobicContact CG-CD2 3.94Å; Y108-F173 HydrophobicContact CG-CE1 4.03Å; Y108-F173 HydrophobicContact CG-CE2 4.41Å; Y108-F173 AromaticContact CG-CG 3.47Å; Y108-F173 HydrophobicContact CG-CG 3.47Å; Y108-F173 VanDerWaalsContact CG-CG 3.47Å; Y108-F173 HydrophobicContact CG-CZ 4.45Å; Y108-F173 AromaticContact CZ-CD1 3.8Å; L111-F173 HydrophobicContact CD2-CE2 4.05Å; L111-F173 HydrophobicContact CD2-CZ 3.65Å; I112-F173 HydrophobicContact CD1-CD2 4.33Å; I112-F173 HydrophobicContact CD1-CE2 3.92Å; I112-F173 HydrophobicContact CG1-CD2 4.22Å; I112-F173 HydrophobicContact CG1-CE2 4.14Å; G171-F173 VanDerWaalsContact C-N 3.26Å; G171-F173 PolarHBondContact O-N 2.88Å; F173-E175 VanDerWaalsContact C-N 3.34Å; F173-F176 PolarHBondContact O-N 2.84Å; F173-R177 VanDerWaalsContact O-CB 3.28Å; F173-R177 WeakPolarHBondContact O-CB 3.39Å; F173-R177 PolarHBondContact O-N 2.79Å; F173-I192 HydrophobicContact CE2-CB 4.35Å; F173-I192 HydrophobicContact CE2-CD1 4.1Å; F173-I192 HydrophobicContact CZ-CB 4.07Å; F173-I192 HydrophobicContact CZ-CD1 4.12Å; F173-I192 HydrophobicContact CZ-CG1 4.3Å |
| 174 | S | 86.9 | Confident | 86.4 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | G171 R177 E178 | G171-S174 PolarHBondContact O-OG 2.98Å; S174-R177 PolarHBondContact O-N 3.03Å; S174-E178 PolarHBondContact O-N 3.41Å |
| 175 | E | 87.4 | Confident | 86.6 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 176.1 | -69.8 | -61.2 | 152.3 | 0 | 0 | 112 | R134 L136 W172 F173 R177 E178 I179 | R134-E175 WeakPolarHBondContact CD-OE2 3.16Å; R134-E175 IonicContact CZ-OE2 3.56Å; R134-E175 IonicContact NE-OE2 3.17Å; R134-E175 IonicContact NH1-OE2 3.17Å; R134-E175 PolarHBondContact NH1-OE2 2.88Å; L136-E175 HydrophobicContact CD1-CB 3.88Å; L136-E175 HydrophobicContact CD2-CB 4.08Å; L136-E175 HydrophobicContact CG-CB 4.36Å; W172-E175 PolarHBondContact O-N 3.44Å; F173-E175 VanDerWaalsContact C-N 3.34Å; E175-R177 VanDerWaalsContact C-N 3.31Å; E175-R177 PolarHBondContact O-N 3.41Å; E175-E178 PolarHBondContact O-N 3.49Å; E175-I179 VanDerWaalsContact O-CG1 3.3Å; E175-I179 WeakPolarHBondContact O-CG1 3.35Å; E175-I179 PolarHBondContact O-N 3.01Å |
| 176 | F | 91.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.1 | -179.5 | -118.2 | 0 | 0 | 0 | 112 | I112 M122 V127 L136 L161 L162 I165 W172 F173 E178 I179 L180 I192 | I112-F176 HydrophobicContact CD1-CD1 4.2Å; I112-F176 HydrophobicContact CD1-CE1 3.92Å; M122-F176 HydrophobicContact CE-CZ 4.41Å; V127-F176 HydrophobicContact CG1-CE2 3.92Å; L136-F176 HydrophobicContact CD1-CB 4.48Å; L161-F176 HydrophobicContact CD2-CE2 4.23Å; L162-F176 HydrophobicContact CD2-CE1 4.01Å; L162-F176 HydrophobicContact CD2-CZ 3.64Å; I165-F176 HydrophobicContact CD1-CB 4.4Å; I165-F176 HydrophobicContact CD1-CD2 3.43Å; I165-F176 VanDerWaalsContact CD1-CD2 3.43Å; I165-F176 HydrophobicContact CD1-CE2 3.89Å; I165-F176 HydrophobicContact CD1-CG 4.06Å; W172-F176 HydrophobicContact CE3-CB 4.28Å; W172-F176 HydrophobicContact CZ3-CD1 4.42Å; W172-F176 VanDerWaalsContact O-CB 3.3Å; W172-F176 WeakPolarHBondContact O-CB 3.38Å; W172-F176 PolarHBondContact O-N 2.94Å; F173-F176 PolarHBondContact O-N 2.84Å; F176-E178 PolarHBondContact O-N 2.89Å; F176-I179 WeakPolarHBondContact O-CB 3.37Å; F176-I179 PolarHBondContact O-N 3.37Å; F176-L180 HydrophobicContact CD1-CD1 4.28Å; F176-L180 HydrophobicContact CE1-CD1 3.76Å; F176-L180 HydrophobicContact CE1-CG 4.3Å; F176-L180 HydrophobicContact CE2-CD2 4.38Å; F176-L180 HydrophobicContact CE2-CG 4.35Å; F176-L180 HydrophobicContact CZ-CD1 3.96Å; F176-L180 HydrophobicContact CZ-CD2 4.16Å; F176-L180 HydrophobicContact CZ-CG 4.12Å; F176-L180 PolarHBondContact O-N 3.16Å; F176-I192 HydrophobicContact CD1-CD1 4.43Å |
| 177 | R | 89.4 | Confident | 86 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.3 | -170.6 | -178.7 | 72.2 | -173 | -1.3 | 111.7 | F173 S174 E175 I179 L180 R181 Y189 I192 | F173-R177 VanDerWaalsContact O-CB 3.28Å; F173-R177 WeakPolarHBondContact O-CB 3.39Å; F173-R177 PolarHBondContact O-N 2.79Å; S174-R177 PolarHBondContact O-N 3.03Å; E175-R177 VanDerWaalsContact C-N 3.31Å; E175-R177 PolarHBondContact O-N 3.41Å; R177-I179 VanDerWaalsContact C-N 3.31Å; R177-I179 PolarHBondContact O-N 2.96Å; R177-L180 PolarHBondContact O-N 3.43Å; R177-R181 PolarHBondContact O-N 3.18Å; R177-R181 VanDerWaalsContact O-N 3.08Å; R177-Y189 HydrophobicContact CG-CD2 3.56Å; R177-Y189 HydrophobicContact CG-CE2 3.63Å; R177-Y189 WeakPolarHBondContact O-CD2 3.39Å; R177-I192 HydrophobicContact CB-CD1 4.05Å; R177-I192 HydrophobicContact CG-CD1 4Å; R177-I192 HydrophobicContact CG-CG1 4.23Å |
| 178 | E | 86.3 | Confident | 86.1 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.7 | -29.6 | 174.9 | -72.1 | -56.9 | 131.1 | 0 | 0 | 112.8 | S174 E175 F176 R181 A182 | S174-E178 PolarHBondContact O-N 3.41Å; E175-E178 PolarHBondContact O-N 3.49Å; F176-E178 PolarHBondContact O-N 2.89Å; E178-R181 WeakPolarHBondContact O-CB 3.42Å; E178-R181 PolarHBondContact O-N 3.01Å; E178-R181 IonicContact OE1-NH1 3.24Å; E178-R181 IonicContact OE2-NH1 3.8Å; E178-A182 VanDerWaalsContact O-CB 3.29Å; E178-A182 WeakPolarHBondContact O-CB 3.4Å; E178-A182 PolarHBondContact O-N 2.78Å |
| 179 | I | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 172.1 | -70 | 166.4 | 0 | 0 | 0 | 110.9 | V127 Q130 C131 R134 L136 E175 F176 R177 R181 A182 T183 | V127-I179 HydrophobicContact CG1-CG2 4Å; Q130-I179 HydrophobicContact CB-CB 4.44Å; Q130-I179 HydrophobicContact CB-CD1 4.43Å; Q130-I179 HydrophobicContact CB-CG1 4.1Å; Q130-I179 HydrophobicContact CB-CG2 3.6Å; Q130-I179 HydrophobicContact CG-CG2 4.48Å; C131-I179 HydrophobicContact CB-CD1 4.43Å; R134-I179 HydrophobicContact CB-CD1 4.47Å; R134-I179 HydrophobicContact CG-CD1 4.41Å; L136-I179 HydrophobicContact CD1-CD1 3.6Å; E175-I179 VanDerWaalsContact O-CG1 3.3Å; E175-I179 WeakPolarHBondContact O-CG1 3.35Å; E175-I179 PolarHBondContact O-N 3.01Å; F176-I179 WeakPolarHBondContact O-CB 3.37Å; F176-I179 PolarHBondContact O-N 3.37Å; R177-I179 VanDerWaalsContact C-N 3.31Å; R177-I179 PolarHBondContact O-N 2.96Å; I179-R181 PolarHBondContact O-N 3.1Å; I179-A182 PolarHBondContact O-N 2.95Å; I179-T183 HydrophobicContact CG2-CG2 4.29Å; I179-T183 WeakPolarHBondContact O-CB 3.42Å; I179-T183 WeakPolarHBondContact O-CG2 3.48Å; I179-T183 PolarHBondContact O-N 3.35Å; I179-T183 PolarHBondContact O-OG1 3.2Å |
| 180 | L | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -35.9 | 175.5 | -69.4 | 178.2 | 0 | 0 | 0 | 111.7 | L119 V127 F176 R177 T183 H185 L188 I192 | L119-L180 HydrophobicContact CD2-CD1 4.24Å; V127-L180 HydrophobicContact CG2-CD2 4.19Å; F176-L180 HydrophobicContact CD1-CD1 4.28Å; F176-L180 HydrophobicContact CE1-CD1 3.76Å; F176-L180 HydrophobicContact CE1-CG 4.3Å; F176-L180 HydrophobicContact CE2-CD2 4.38Å; F176-L180 HydrophobicContact CE2-CG 4.35Å; F176-L180 HydrophobicContact CZ-CD1 3.96Å; F176-L180 HydrophobicContact CZ-CD2 4.16Å; F176-L180 HydrophobicContact CZ-CG 4.12Å; F176-L180 PolarHBondContact O-N 3.16Å; R177-L180 PolarHBondContact O-N 3.43Å; L180-T183 WeakPolarHBondContact CA-OG1 3.32Å; L180-T183 PolarHBondContact O-OG1 3.07Å; L180-H185 HydrophobicContact CB-CB 4.38Å; L180-H185 HydrophobicContact CD2-CB 4.2Å; L180-H185 WeakPolarHBondContact O-CA 3.34Å; L180-H185 WeakPolarHBondContact O-CB 3.42Å; L180-H185 PolarHBondContact O-N 3.45Å; L180-L188 HydrophobicContact CD1-CB 4.26Å; L180-I192 HydrophobicContact CD1-CD1 3.68Å |
| 181 | R | 86.3 | Confident | 86.5 | Confident | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 173.1 | -165 | -175.9 | -160.8 | 167.2 | 6.9 | 112.5 | R177 E178 I179 T183 E184 Y189 | R177-R181 PolarHBondContact O-N 3.18Å; R177-R181 VanDerWaalsContact O-N 3.08Å; E178-R181 WeakPolarHBondContact O-CB 3.42Å; E178-R181 PolarHBondContact O-N 3.01Å; E178-R181 IonicContact OE1-NH1 3.24Å; E178-R181 IonicContact OE2-NH1 3.8Å; I179-R181 PolarHBondContact O-N 3.1Å; R181-T183 VanDerWaalsContact C-N 3.29Å; R181-T183 PolarHBondContact O-N 3.45Å; R181-E184 PolarHBondContact O-N 3.08Å; R181-Y189 HydrophobicContact CB-CD2 3.75Å; R181-Y189 HydrophobicContact CB-CE2 3.99Å; R181-Y189 HydrophobicContact CB-CG 4.31Å; R181-Y189 HydrophobicContact CG-CD2 4.24Å; R181-Y189 HydrophobicContact CG-CE2 4.19Å |
| 182 | A | 85.4 | Confident | 86.7 | Confident | 63 Ų | 63 | 50 Ų | 50 | 52% | 0.521 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.5 | -26.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E178 I179 E184 | E178-A182 VanDerWaalsContact O-CB 3.29Å; E178-A182 WeakPolarHBondContact O-CB 3.4Å; E178-A182 PolarHBondContact O-N 2.78Å; I179-A182 PolarHBondContact O-N 2.95Å; A182-E184 VanDerWaalsContact C-N 3.3Å |
| 183 | T | 88.9 | Confident | 86 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 14.2 | 175.6 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | E126 V127 Q130 I179 L180 R181 H185 | E126-T183 HydrophobicContact CB-CG2 4.24Å; V127-T183 HydrophobicContact CG2-CG2 4.41Å; Q130-T183 HydrophobicContact CG-CG2 3.91Å; I179-T183 HydrophobicContact CG2-CG2 4.29Å; I179-T183 WeakPolarHBondContact O-CB 3.42Å; I179-T183 WeakPolarHBondContact O-CG2 3.48Å; I179-T183 PolarHBondContact O-N 3.35Å; I179-T183 PolarHBondContact O-OG1 3.2Å; L180-T183 WeakPolarHBondContact CA-OG1 3.32Å; L180-T183 PolarHBondContact O-OG1 3.07Å; R181-T183 VanDerWaalsContact C-N 3.29Å; R181-T183 PolarHBondContact O-N 3.45Å; T183-H185 WeakPolarHBondContact CB-ND1 3.45Å; T183-H185 PolarHBondContact O-CE1 2.66Å; T183-H185 PolarHBondContact O-N 2.98Å; T183-H185 PolarHBondContact O-ND1 2.85Å; T183-H185 VanDerWaalsContact O-ND1 3.07Å; T183-H185 PolarHBondContact OG1-ND1 3.46Å |
| 184 | E | 85.1 | Confident | 85.3 | Confident | 165 Ų | 165 | 52.7 Ų | 52.7 | 77% | 0.771 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 21.9 | 176.5 | -54.5 | -174.2 | 164 | 0 | 0 | 115.4 | R181 A182 T186 | R181-E184 PolarHBondContact O-N 3.08Å; A182-E184 VanDerWaalsContact C-N 3.3Å; E184-T186 PolarHBondContact O-N 2.9Å; E184-T186 PolarHBondContact O-OG1 3.12Å |
| 185 | H | 87.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.111 | 29% | 0.29 | C | S | . | . | trans | -82.6 | 56.4 | 173.7 | -63.1 | 86.8 | 0 | 0 | 0 | 111.4 | K123 L180 T183 H187 L188 Y189 | K123-H185 PolarHBondContact N-NE2 2.93Å; L180-H185 HydrophobicContact CB-CB 4.38Å; L180-H185 HydrophobicContact CD2-CB 4.2Å; L180-H185 WeakPolarHBondContact O-CA 3.34Å; L180-H185 WeakPolarHBondContact O-CB 3.42Å; L180-H185 PolarHBondContact O-N 3.45Å; T183-H185 WeakPolarHBondContact CB-ND1 3.45Å; T183-H185 PolarHBondContact O-CE1 2.66Å; T183-H185 PolarHBondContact O-N 2.98Å; T183-H185 PolarHBondContact O-ND1 2.85Å; T183-H185 VanDerWaalsContact O-ND1 3.07Å; T183-H185 PolarHBondContact OG1-ND1 3.46Å; H185-H187 VanDerWaalsContact C-N 3.31Å; H185-H187 PolarHBondContact O-N 3.24Å; H185-L188 HydrophobicContact CB-CB 4.11Å; H185-L188 HydrophobicContact CB-CD1 4.12Å; H185-L188 HydrophobicContact CB-CG 4.28Å; H185-L188 PolarHBondContact O-N 3Å; H185-Y189 PolarHBondContact O-N 3.44Å | ||
| 186 | T | 80.6 | Confident | 82.4 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 53% | 0.534 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.7 | -41.9 | -171.8 | -17.8 | 0 | 0 | 0 | 0 | 113.3 | E184 L188 Y189 E190 | E184-T186 PolarHBondContact O-N 2.9Å; E184-T186 PolarHBondContact O-OG1 3.12Å; T186-L188 PolarHBondContact O-N 3.38Å; T186-Y189 PolarHBondContact O-N 2.81Å; T186-E190 WeakPolarHBondContact O-CG 3.22Å; T186-E190 PolarHBondContact O-N 3.41Å |
| 187 | H | 81.9 | Confident | 80.2 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 176.9 | 176.8 | -95.1 | 0 | 0 | 0 | 112.6 | H185 L191 | H185-H187 VanDerWaalsContact C-N 3.31Å; H185-H187 PolarHBondContact O-N 3.24Å; H187-L191 VanDerWaalsContact O-CB 3.3Å; H187-L191 WeakPolarHBondContact O-CB 3.28Å; H187-L191 PolarHBondContact O-N 3.37Å |
| 188 | L | 86.3 | Confident | 77.4 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74.3 | -36.6 | 178.5 | -58.3 | -176.4 | 0 | 0 | 0 | 111.5 | S118 L119 M122 L180 H185 T186 L191 I192 | S118-L188 WeakPolarHBondContact O-CD2 3.32Å; L119-L188 HydrophobicContact CD2-CB 4.02Å; L119-L188 HydrophobicContact CD2-CD1 4.37Å; L119-L188 HydrophobicContact CD2-CD2 4.27Å; L119-L188 HydrophobicContact CD2-CG 4.45Å; M122-L188 HydrophobicContact CB-CD1 3.7Å; L180-L188 HydrophobicContact CD1-CB 4.26Å; H185-L188 HydrophobicContact CB-CB 4.11Å; H185-L188 HydrophobicContact CB-CD1 4.12Å; H185-L188 HydrophobicContact CB-CG 4.28Å; H185-L188 PolarHBondContact O-N 3Å; T186-L188 PolarHBondContact O-N 3.38Å; L188-L191 WeakPolarHBondContact O-CB 3.5Å; L188-L191 PolarHBondContact O-N 3.41Å; L188-I192 WeakPolarHBondContact O-CG1 3.4Å; L188-I192 PolarHBondContact O-N 3.4Å |
| 189 | Y | 85 | Confident | 74.9 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 172.5 | 167.8 | -95.2 | 0 | 0 | 0 | 111.8 | R177 R181 H185 T186 G194 | R177-Y189 HydrophobicContact CG-CD2 3.56Å; R177-Y189 HydrophobicContact CG-CE2 3.63Å; R177-Y189 WeakPolarHBondContact O-CD2 3.39Å; R181-Y189 HydrophobicContact CB-CD2 3.75Å; R181-Y189 HydrophobicContact CB-CE2 3.99Å; R181-Y189 HydrophobicContact CB-CG 4.31Å; R181-Y189 HydrophobicContact CG-CD2 4.24Å; R181-Y189 HydrophobicContact CG-CE2 4.19Å; H185-Y189 PolarHBondContact O-N 3.44Å; T186-Y189 PolarHBondContact O-N 2.81Å; Y189-G194 VanDerWaalsContact CE1-CA 3.49Å; Y189-G194 WeakPolarHBondContact O-CA 3.5Å; Y189-G194 PolarHBondContact O-N 3.35Å |
| 190 | E | 84 | Confident | 72 | Confident | 89 Ų | 89 | 80 Ų | 80 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.7 | -73.1 | 173.3 | -173.1 | 0 | 0 | 111.9 | T186 I192 G193 | T186-E190 WeakPolarHBondContact O-CG 3.22Å; T186-E190 PolarHBondContact O-N 3.41Å; E190-I192 VanDerWaalsContact C-N 3.27Å; E190-I192 PolarHBondContact O-N 3.15Å; E190-G193 PolarHBondContact O-N 3.06Å |
| 191 | L | 84.3 | Confident | 69 | Low | 52 Ų | 52 | 88 Ų | 88 | 27% | 0.272 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.1 | -39.3 | 179.6 | -176.5 | 66.3 | 0 | 0 | 0 | 112.5 | F115 H187 L188 G193 | F115-L191 HydrophobicContact CB-CD2 4.21Å; F115-L191 HydrophobicContact CD1-CD1 3.88Å; F115-L191 HydrophobicContact CD1-CD2 3.92Å; F115-L191 HydrophobicContact CD1-CG 3.84Å; F115-L191 HydrophobicContact CD2-CG 4.48Å; F115-L191 HydrophobicContact CE1-CD1 3.68Å; F115-L191 HydrophobicContact CE1-CG 4.06Å; F115-L191 HydrophobicContact CG-CD2 4.15Å; F115-L191 HydrophobicContact CG-CG 4.08Å; F115-L191 HydrophobicContact CZ-CD1 4.21Å; F115-L191 HydrophobicContact CZ-CG 4.46Å; H187-L191 VanDerWaalsContact O-CB 3.3Å; H187-L191 WeakPolarHBondContact O-CB 3.28Å; H187-L191 PolarHBondContact O-N 3.37Å; L188-L191 WeakPolarHBondContact O-CB 3.5Å; L188-L191 PolarHBondContact O-N 3.41Å; L191-G193 VanDerWaalsContact C-N 3.28Å; L191-G193 PolarHBondContact O-N 3.44Å |
| 192 | I | 84.9 | Confident | 66.2 | Low | 5 Ų | 5 | 92 Ų | 92 | 3% | 0.026 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 19.2 | 179.1 | 69.2 | 172.6 | 0 | 0 | 0 | 113.3 | I112 F115 L119 F173 F176 R177 L180 L188 E190 | I112-I192 HydrophobicContact CD1-CG2 4.23Å; F115-I192 HydrophobicContact CD2-CG2 4.32Å; L119-I192 HydrophobicContact CD1-CG2 4.27Å; L119-I192 HydrophobicContact CD2-CG2 4.14Å; F173-I192 HydrophobicContact CE2-CB 4.35Å; F173-I192 HydrophobicContact CE2-CD1 4.1Å; F173-I192 HydrophobicContact CZ-CB 4.07Å; F173-I192 HydrophobicContact CZ-CD1 4.12Å; F173-I192 HydrophobicContact CZ-CG1 4.3Å; F176-I192 HydrophobicContact CD1-CD1 4.43Å; R177-I192 HydrophobicContact CB-CD1 4.05Å; R177-I192 HydrophobicContact CG-CD1 4Å; R177-I192 HydrophobicContact CG-CG1 4.23Å; L180-I192 HydrophobicContact CD1-CD1 3.68Å; L188-I192 WeakPolarHBondContact O-CG1 3.4Å; L188-I192 PolarHBondContact O-N 3.4Å; E190-I192 VanDerWaalsContact C-N 3.27Å; E190-I192 PolarHBondContact O-N 3.15Å |
| 193 | G | 75.4 | Confident | 63.4 | Low | 57 Ų | 57 | 96.9 Ų | 96.9 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | 18.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E190 L191 | E190-G193 PolarHBondContact O-N 3.06Å; L191-G193 VanDerWaalsContact C-N 3.28Å; L191-G193 PolarHBondContact O-N 3.44Å |
| 194 | G | 75.7 | Confident | 60.4 | Low | 7 Ų | 7 | 105.4 Ų | 105.4 | 7% | 0.072 | 54% | 0.544 | C | S | . | . | trans | -68.2 | 128.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y189 | Y189-G194 VanDerWaalsContact CE1-CA 3.49Å; Y189-G194 WeakPolarHBondContact O-CA 3.5Å; Y189-G194 PolarHBondContact O-N 3.35Å | ||
| 195 | S | 64.9 | Low | 57.6 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 60% | 0.601 | 54% | 0.542 | S | S | * | . | trans | -78.9 | 132.2 | 173.5 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | E197 | S195-E197 PolarHBondContact O-N 3.43Š| ||
| 196 | P | 48.2 | Very low | 54.7 | Low | 80 Ų | 80 | 110.3 Ų | 110.3 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | trans | -80.1 | 106.2 | 166.4 | 29.2 | -26.9 | 0 | 0 | 0 | 108 | ||||
| 197 | E | 44.2 | Very low | 52 | Low | 175 Ų | 175 | 111.1 Ų | 111.1 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | 179.7 | 158.3 | 138.6 | -102.3 | 170.7 | -165.6 | 0 | 0 | 116.5 | S195 | S195-E197 PolarHBondContact O-N 3.43Š| ||
| 198 | C | 29.9 | Very low | 49.3 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 69% | 0.689 | 60% | 0.595 | S | S | * | * | trans | 81 | 91.1 | 169.2 | -117.9 | 0 | 0 | 0 | 0 | 117.9 | K200 | C198-K200 PolarHBondContact O-N 3.33Š| ||
| 199 | K | 34.1 | Very low | 46.4 | Very low | 216 Ų | 216 | 115.8 Ų | 115.8 | 94% | 0.939 | 63% | 0.63 | S | S | * | * | trans | -56.3 | 84.5 | 146.5 | -73.6 | 179.6 | 176.8 | 177 | 0 | 108.9 | L201 | K199-L201 PolarHBondContact O-N 2.99Š| ||
| 200 | K | 29.3 | Very low | 43.5 | Very low | 182 Ų | 182 | 123.3 Ų | 123.3 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | trans | -82.1 | 109.3 | 153.1 | -83.1 | -175.4 | 176.2 | 179.1 | 0 | 106.8 | C198 K202 | C198-K200 PolarHBondContact O-N 3.33Å; K200-K202 PolarHBondContact O-N 2.98Å | ||
| 201 | L | 26.5 | Very low | 40.6 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 89% | 0.885 | 69% | 0.685 | S | S | * | * | trans | -44.4 | 120.2 | 166.3 | -78.3 | 149.3 | 0 | 0 | 0 | 109 | K199 N203 | K199-L201 PolarHBondContact O-N 2.99Å; L201-N203 PolarHBondContact O-N 2.93Å | ||
| 202 | K | 28 | Very low | 38.2 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | -63.5 | 112.2 | 160.9 | -76.9 | 179.9 | 174 | 179.5 | 0 | 107.1 | K200 | K200-K202 PolarHBondContact O-N 2.98Š| ||
| 203 | N | 26.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 135 Ų | 135 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | -99.3 | 123.4 | 143.7 | -91.8 | -8.7 | 0 | 0 | 0 | 106.6 | L201 | L201-N203 PolarHBondContact O-N 2.93Š| ||
| 204 | E | 27 | Very low | 32.6 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | trans | -70 | 144.6 | 179.2 | -62.1 | 176.2 | 149.4 | 0 | 0 | 112 | ||||
| 205 | A | 26.6 | Very low | 30.1 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 156.1 | 99.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 206 | K | 25.6 | Very low | 28 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | 88.3 | 126.4 | 87.6 | -94.1 | -171.1 | 177.8 | -179.9 | 0 | 113.2 | |||||
| 207 | A | 24 | Very low | 26.8 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 70.8 | 139.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 208 | A | 25.7 | Very low | 25.9 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | cis | -165.5 | 160.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 209 | E | 24.5 | Very low | 25.6 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 50.8 | 111.1 | 139.2 | -69.9 | 169.7 | 176.5 | 0 | 0 | 119.3 | ||||
| 210 | E | 24.2 | Very low | 25.1 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 97.4 | 106.5 | 88.7 | -83.6 | -163.3 | 158.2 | 0 | 0 | 113.4 | |||||
| 211 | K | 22.8 | Very low | 25.4 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 55.6 | 170.6 | 133.7 | -82 | -166.4 | -179.5 | -179.7 | 0 | 119.2 | ||||
| 212 | P | 34.2 | Very low | 25.1 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | -127.3 | -166.1 | -91.5 | 29.6 | -4.1 | 0 | 0 | 0 | 111.9 | |||||
| 213 | A | 21.6 | Very low | 24.8 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 80.6 | 153.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 214 | E | 22.6 | Very low | 24.6 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | cis | -167.7 | 158.7 | -2.5 | -128.6 | 170.4 | 173.5 | 0 | 0 | 105.6 | ||||
| 215 | S | 22.2 | Very low | 24.4 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | 39.5 | 127.5 | 150.5 | 66.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 216 | C | 21.2 | Very low | 24.2 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | 31.1 | 121.4 | 127.2 | -57.6 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 217 | Q | 23.6 | Very low | 24.1 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -178.6 | 148.1 | 98.9 | -94.9 | 172.1 | 8.7 | 0 | 0 | 111.2 | |||||
| 218 | S | 25.3 | Very low | 24.2 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -46.7 | 147 | 164.6 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | E | 23.2 | Very low | 24.1 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | 168.2 | 119.8 | 119.3 | -91 | 175.1 | -173.5 | 0 | 0 | 110 | |||||
| 220 | E | 23.6 | Very low | 24.6 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -64 | 170.9 | 146.5 | -59 | -175.2 | 151 | 0 | 0 | 108.2 | ||||
| 221 | P | 34.7 | Very low | 24.7 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -148.3 | -169.6 | 17.3 | 38.9 | -15.4 | 0 | 0 | 0 | 115.4 | ||||
| 222 | M | 21.7 | Very low | 24.9 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 89.8 | 123.8 | 139.6 | -90.4 | -172.3 | 176.8 | 0 | 0 | 121.2 | ||||
| 223 | E | 21.3 | Very low | 24.5 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 78.2 | 145.5 | 133.6 | -67.5 | -170.8 | 171.3 | 0 | 0 | 118.6 | ||||
| 224 | I | 21.5 | Very low | 24.6 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 64% | 0.641 | 75% | 0.752 | S | S | * | * | cis | -170.1 | 158.8 | -8.3 | -109.3 | 164.6 | 0 | 0 | 0 | 105 | ||||
| 225 | S | 21.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 75.1 | 140.4 | 157.1 | 71.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 226 | G | 23 | Very low | 25.6 | Very low | 56 Ų | 56 | 131.1 Ų | 131.1 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | cis | 174.7 | 157.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 227 | T | 23.6 | Very low | 25.9 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 64.6 | 129.2 | 147.1 | 59.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 228 | E | 26.6 | Very low | 26 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | cis | -160 | 151.9 | 47.4 | -78.3 | -176.5 | 154.3 | 0 | 0 | 112.7 | ||||
| 229 | G | 22.4 | Very low | 26 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -81.5 | -168.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 230 | P | 36.6 | Very low | 26.1 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | -147.7 | 162.1 | 53.2 | 37.8 | -17 | 0 | 0 | 0 | 118.5 | |||||
| 231 | Q | 25.8 | Very low | 26.2 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | trans | 58 | 142.4 | 136.8 | -69.3 | 175.4 | -43.6 | 0 | 0 | 121.1 | ||||
| 232 | D | 27.1 | Very low | 25.7 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | -166.7 | 164.9 | 6.8 | -112.3 | -22.7 | 0 | 0 | 0 | 110.6 | ||||
| 233 | D | 26 | Very low | 25.9 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 91.4 | 102.5 | 154 | -60.7 | -25.6 | 0 | 0 | 0 | 123 | ||||
| 234 | A | 23.6 | Very low | 26.1 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -83.3 | -178.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 235 | P | 39.8 | Very low | 26.3 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | -135.8 | 150.3 | 57.2 | 15.2 | 12 | 0 | 0 | 0 | 114.6 | |||||
| 236 | D | 26.4 | Very low | 26.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | 65.4 | 139.9 | 80.9 | -96.9 | 1.6 | 0 | 0 | 0 | 113.3 | |||||
| 237 | L | 26.3 | Very low | 26.6 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | cis | -167.9 | 155.5 | 19.7 | -87.7 | 136.9 | 0 | 0 | 0 | 110.1 | ||||
| 238 | Y | 25.3 | Very low | 26.6 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 29.5 | 136 | 139.3 | -68.2 | -110.9 | 0 | 0 | 0 | 122.9 | ||||
| 239 | L | 26.9 | Very low | 26.6 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | 173.5 | 145.8 | 104.8 | -92 | 164.2 | 0 | 0 | 0 | 114.1 | |||||
| 240 | D | 25.3 | Very low | 26.8 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -14 | 157.1 | 160.4 | -83 | -52 | 0 | 0 | 0 | 121.7 | ||||
| 241 | G | 25.7 | Very low | 26.8 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | 133 | 98 | 129.7 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 242 | D | 24 | Very low | 27.4 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | -14.4 | 161.8 | 152 | -152 | 4 | 0 | 0 | 0 | 120.8 | ||||
| 243 | L | 25.5 | Very low | 27.2 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | 100.3 | 106 | 155.7 | -58.8 | 168.9 | 0 | 0 | 0 | 121 | ||||
| 244 | S | 24.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | 96.8 | 121.4 | 115.2 | 76.5 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 245 | K | 26.9 | Very low | 27.3 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | 58 | 120.9 | 128.2 | -73.4 | -177.4 | 177.3 | 176.2 | 0 | 121.5 | |||||
| 246 | S | 25.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 93.7 | 114.6 | 119.3 | 70.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 247 | M | 24.5 | Very low | 26.5 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | 76.5 | 123.4 | 120.9 | -74.7 | 173.6 | 73.2 | 0 | 0 | 121.3 | |||||
| 248 | D | 24.6 | Very low | 26.7 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 60% | 0.599 | 77% | 0.77 | S | S | * | * | trans | 73.6 | 111.9 | 134.3 | -57 | -12.9 | 0 | 0 | 0 | 120.4 | ||||
| 249 | N | 26.7 | Very low | 26.7 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 170.6 | 124.1 | 93.2 | -91 | -52.4 | 0 | 0 | 0 | 114.2 | |||||
| 250 | L | 25.6 | Very low | 26.7 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 23.7 | 156.8 | 143.1 | -80.7 | 123.2 | 0 | 0 | 0 | 125.4 | ||||
| 251 | P | 36.5 | Very low | 26.7 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -106.3 | -167 | -156.8 | 50.1 | -39.5 | 0 | 0 | 0 | 111.4 | ||||
| 252 | P | 39.1 | Very low | 26.9 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -147.4 | 166.8 | 54.5 | 36.9 | -13.3 | 0 | 0 | 0 | 118.2 | |||||
| 253 | D | 22.9 | Very low | 27.2 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 109.8 | 113.9 | 130.8 | -108.2 | 9.1 | 0 | 0 | 0 | 123.3 | ||||
| 254 | V | 25.6 | Very low | 27.2 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | trans | 55.8 | 109.7 | 147 | -142.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 255 | S | 27 | Very low | 27.5 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | 162.5 | 134.7 | 103.5 | 53 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 256 | G | 25 | Very low | 27.7 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 98.3 | 111.1 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 257 | C | 22.6 | Very low | 28.4 | Very low | 132 Ų | 132 | 118.4 Ų | 118.4 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -58.8 | 154 | 166.6 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 258 | P | 31.6 | Very low | 28.4 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -135.2 | 148 | 109.8 | 24.3 | -5.3 | 0 | 0 | 0 | 111.1 | |||||
| 259 | G | 25.4 | Very low | 28.7 | Very low | 71 Ų | 71 | 112.2 Ų | 112.2 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | 100 | 87.9 | 64.8 | 0 | 0 | 0 | 0 | 0 | 108 | E261 | G259-E261 PolarHBondContact O-N 3.48Š| |||
| 260 | A | 25.7 | Very low | 29.6 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -75.8 | 113 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | E | 26.4 | Very low | 30.9 | Very low | 193 Ų | 193 | 111.3 Ų | 111.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95 | 131.6 | 165.2 | -76.3 | -172.4 | 161 | 0 | 0 | 110.5 | G259 A263 | G259-E261 PolarHBondContact O-N 3.48Å; E261-A263 PolarHBondContact O-N 3.33Å |
| 262 | A | 30.5 | Very low | 32.5 | Very low | 105 Ų | 105 | 114.9 Ų | 114.9 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G264 | A262-G264 PolarHBondContact O-N 2.91Š|
| 263 | A | 28.4 | Very low | 34.6 | Very low | 104 Ų | 104 | 110 Ų | 110 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 116.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E261 | E261-A263 PolarHBondContact O-N 3.33Š|
| 264 | G | 27.4 | Very low | 37.8 | Very low | 69 Ų | 69 | 107.4 Ų | 107.4 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 141.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A262 T266 | A262-G264 PolarHBondContact O-N 2.91Å; G264-T266 PolarHBondContact O-N 3.4Å |
| 265 | A | 29.4 | Very low | 41 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | trans | -76.3 | 104.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 266 | T | 30.7 | Very low | 44.1 | Very low | 137 Ų | 137 | 105.1 Ų | 105.1 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | trans | -88.7 | 145.2 | 152.5 | 45.9 | 0 | 0 | 0 | 0 | 109.1 | G264 | G264-T266 PolarHBondContact O-N 3.4Š| ||
| 267 | G | 39.8 | Very low | 47.4 | Very low | 87 Ų | 87 | 108.5 Ų | 108.5 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | trans | -47.9 | 148.6 | -161.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 268 | G | 26.3 | Very low | 50.7 | Low | 75 Ų | 75 | 104.1 Ų | 104.1 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -149.6 | 148.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 269 | G | 30.6 | Very low | 53.7 | Low | 65 Ų | 65 | 98.5 Ų | 98.5 | 67% | 0.67 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -63.8 | -162.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E271 | G269-E271 PolarHBondContact O-N 2.98Å; G269-E271 VanDerWaalsContact O-N 3.11Å |
| 270 | P | 44.1 | Very low | 57.1 | Low | 122 Ų | 122 | 97.4 Ų | 97.4 | 79% | 0.792 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -57.9 | 120.1 | -174.8 | 11.7 | -14.2 | 0 | 0 | 0 | 110.9 | E272 | P270-E272 PolarHBondContact O-N 3.49Š|
| 271 | E | 54.8 | Low | 60.3 | Low | 158 Ų | 158 | 95.7 Ų | 95.7 | 74% | 0.738 | 61% | 0.61 | S | S | * | * | trans | -54.6 | 111.1 | 178 | -75 | -175.3 | 157.8 | 0 | 0 | 110.4 | G269 I273 | G269-E271 PolarHBondContact O-N 2.98Å; G269-E271 VanDerWaalsContact O-N 3.11Å; E271-I273 PolarHBondContact O-N 3.36Å | ||
| 272 | E | 69.4 | Low | 63.6 | Low | 181 Ų | 181 | 86.5 Ų | 86.5 | 85% | 0.846 | 57% | 0.567 | S | S | * | * | trans | -71.7 | 124.7 | 177.3 | -166.7 | 174.6 | -171.3 | 0 | 0 | 110.2 | P270 S274 | P270-E272 PolarHBondContact O-N 3.49Å; E272-S274 PolarHBondContact O-N 3.26Å | ||
| 273 | I | 83.3 | Confident | 66.8 | Low | 11 Ų | 11 | 81.5 Ų | 81.5 | 6% | 0.056 | 53% | 0.525 | C | S | . | . | trans | -74.6 | 100.5 | 179.5 | -58.8 | 163.7 | 0 | 0 | 0 | 108.7 | E271 V307 Y308 I346 L347 | E271-I273 PolarHBondContact O-N 3.36Å; I273-V307 HydrophobicContact CD1-CG1 3.9Å; I273-Y308 HydrophobicContact CB-CD2 4.44Å; I273-Y308 HydrophobicContact CG2-CD2 3.96Å; I273-Y308 WeakPolarHBondContact O-CD2 3.37Å; I273-Y308 WeakPolarHBondContact O-CE2 3.47Å; I273-I346 HydrophobicContact CD1-CB 4.3Å; I273-I346 HydrophobicContact CD1-CG2 3.74Å; I273-I346 HydrophobicContact CG1-CD1 4.41Å; I273-I346 HydrophobicContact CG1-CG2 3.82Å; I273-L347 HydrophobicContact CD1-CD2 3.7Å | ||
| 274 | S | 89 | Confident | 70.1 | Confident | 92 Ų | 92 | 83.2 Ų | 83.2 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | trans | -100.2 | 145.3 | 173.4 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | E272 | E272-S274 PolarHBondContact O-N 3.26Š| ||
| 275 | L | 93.2 | Very high | 73.4 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.141 | 48% | 0.479 | C | S | . | . | trans | -106.6 | 146.6 | 173.1 | -67 | -171.9 | 0 | 0 | 0 | 110.1 | Q279 M280 A283 R304 V305 Y308 | L275-Q279 HydrophobicContact CB-CB 3.99Å; L275-Q279 HydrophobicContact CD1-CB 4.41Å; L275-Q279 HydrophobicContact CD2-CB 4.34Å; L275-Q279 HydrophobicContact CG-CB 4.49Å; L275-M280 HydrophobicContact CD1-CE 4.37Å; L275-M280 HydrophobicContact CD1-SD 4.44Å; L275-A283 HydrophobicContact CD1-CB 4.11Å; L275-R304 HydrophobicContact CD2-CG 4.05Å; L275-V305 HydrophobicContact CD2-CG2 4.37Å; L275-Y308 HydrophobicContact CD1-CD1 3.41Å; L275-Y308 VanDerWaalsContact CD1-CD1 3.41Å; L275-Y308 HydrophobicContact CD1-CD2 4.34Å; L275-Y308 HydrophobicContact CD1-CE1 4.01Å; L275-Y308 HydrophobicContact CD1-CG 3.6Å; L275-Y308 HydrophobicContact CD2-CG 4.2Å; L275-Y308 HydrophobicContact CG-CD1 3.98Å; L275-Y308 HydrophobicContact CG-CD2 3.97Å; L275-Y308 HydrophobicContact CG-CG 3.66Å | ||
| 276 | R | 93.5 | Very high | 76.6 | Confident | 156 Ų | 156 | 75.3 Ų | 75.3 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | trans | -68.6 | 159 | 168.8 | -58.4 | 174.9 | -176.4 | 175.8 | -5.2 | 110.5 | Y278 Q279 M280 | R276-Y278 HydrophobicContact CB-CD1 3.97Å; R276-Y278 HydrophobicContact CB-CE1 3.75Å; R276-Y278 HydrophobicContact CG-CE1 4.23Å; R276-Y278 PolarHBondContact NH1-OH 3.46Å; R276-Y278 VanDerWaalsContact NH1-OH 3.1Å; R276-Y278 PolarHBondContact O-N 3.32Å; R276-Q279 HydrophobicContact CB-CB 4.43Å; R276-Q279 HydrophobicContact CB-CG 4.18Å; R276-Q279 CarbonylContact O-C 3.41Å; R276-Q279 WeakPolarHBondContact O-CA 3.44Å; R276-Q279 VanDerWaalsContact O-CB 3.27Å; R276-Q279 WeakPolarHBondContact O-CB 3.48Å; R276-Q279 PolarHBondContact O-N 3.48Å; R276-M280 PolarHBondContact O-N 3.38Å | ||
| 277 | D | 92.6 | Very high | 79.8 | Confident | 147 Ų | 147 | 71.9 Ų | 71.9 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -54.6 | -46.5 | -177.3 | -61.1 | -24.7 | 0 | 0 | 0 | 113.6 | Q279 M280 E281 | D277-Q279 VanDerWaalsContact C-N 3.26Å; D277-Q279 PolarHBondContact O-N 3.3Å; D277-M280 PolarHBondContact O-N 3.05Å; D277-E281 PolarHBondContact O-N 3.34Å |
| 278 | Y | 92.9 | Very high | 82.5 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.3 | -28.4 | 177.3 | 75.4 | -98.2 | 0 | 0 | 0 | 112.8 | R276 V282 L296 S300 I489 | R276-Y278 HydrophobicContact CB-CD1 3.97Å; R276-Y278 HydrophobicContact CB-CE1 3.75Å; R276-Y278 HydrophobicContact CG-CE1 4.23Å; R276-Y278 PolarHBondContact NH1-OH 3.46Å; R276-Y278 VanDerWaalsContact NH1-OH 3.1Å; R276-Y278 PolarHBondContact O-N 3.32Å; Y278-V282 PolarHBondContact O-N 2.94Å; Y278-L296 HydrophobicContact CD2-CD2 4.36Å; Y278-S300 PolarHBondContact OH-O 2.98Å; Y278-I489 HydrophobicContact CD2-CD1 3.82Å; Y278-I489 HydrophobicContact CD2-CG1 3.78Å; Y278-I489 HydrophobicContact CE2-CD1 3.73Å; Y278-I489 HydrophobicContact CE2-CG1 4.04Å; Y278-I489 HydrophobicContact CG-CG1 4.06Å |
| 279 | Q | 95.3 | Very high | 85.7 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74 | -39.5 | 175.6 | -69.4 | 177.8 | -35.9 | 0 | 0 | 110 | L275 R276 D277 V282 A283 S300 V305 | L275-Q279 HydrophobicContact CB-CB 3.99Å; L275-Q279 HydrophobicContact CD1-CB 4.41Å; L275-Q279 HydrophobicContact CD2-CB 4.34Å; L275-Q279 HydrophobicContact CG-CB 4.49Å; R276-Q279 HydrophobicContact CB-CB 4.43Å; R276-Q279 HydrophobicContact CB-CG 4.18Å; R276-Q279 CarbonylContact O-C 3.41Å; R276-Q279 WeakPolarHBondContact O-CA 3.44Å; R276-Q279 VanDerWaalsContact O-CB 3.27Å; R276-Q279 WeakPolarHBondContact O-CB 3.48Å; R276-Q279 PolarHBondContact O-N 3.48Å; D277-Q279 VanDerWaalsContact C-N 3.26Å; D277-Q279 PolarHBondContact O-N 3.3Å; Q279-V282 VanDerWaalsContact O-CG2 3.23Å; Q279-V282 WeakPolarHBondContact O-CG2 3.29Å; Q279-A283 VanDerWaalsContact O-CB 3.25Å; Q279-A283 WeakPolarHBondContact O-CB 3.38Å; Q279-A283 PolarHBondContact O-N 3.43Å; Q279-A283 VanDerWaalsContact O-N 3.08Å; Q279-S300 PolarHBondContact NE2-O 3.05Å; Q279-V305 HydrophobicContact CB-CG2 3.76Å; Q279-V305 HydrophobicContact CG-CG2 3.84Å |
| 280 | M | 95.1 | Very high | 88.9 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 176 | -168.6 | 68.2 | -88.1 | 0 | 0 | 111.4 | L275 R276 D277 V282 A283 R284 L287 Y308 | L275-M280 HydrophobicContact CD1-CE 4.37Å; L275-M280 HydrophobicContact CD1-SD 4.44Å; R276-M280 PolarHBondContact O-N 3.38Å; D277-M280 PolarHBondContact O-N 3.05Å; M280-V282 VanDerWaalsContact C-N 3.32Å; M280-V282 PolarHBondContact O-N 2.84Å; M280-A283 HydrophobicContact CE-CB 3.75Å; M280-A283 PolarHBondContact O-N 3.46Å; M280-R284 PolarHBondContact O-N 3.08Å; M280-L287 HydrophobicContact CE-CD1 3.27Å; M280-L287 HydrophobicContact CE-CG 4.4Å; M280-Y308 HydrophobicContact CE-CE1 4.15Å; M280-Y308 HydrophobicContact SD-CE1 4.25Å |
| 281 | E | 94.4 | Very high | 91.5 | Very high | 74 Ų | 74 | 66.8 Ų | 66.8 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.4 | -48.7 | 176 | -172.9 | -164.5 | 158.3 | 0 | 0 | 111.9 | D277 | D277-E281 PolarHBondContact O-N 3.34Å |
| 282 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77 | -23.5 | -178.3 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | Y278 Q279 M280 I294 L296 M485 | Y278-V282 PolarHBondContact O-N 2.94Å; Q279-V282 VanDerWaalsContact O-CG2 3.23Å; Q279-V282 WeakPolarHBondContact O-CG2 3.29Å; M280-V282 VanDerWaalsContact C-N 3.32Å; M280-V282 PolarHBondContact O-N 2.84Å; V282-I294 HydrophobicContact CB-CG2 4.16Å; V282-I294 HydrophobicContact CG2-CD1 4.35Å; V282-I294 HydrophobicContact CG2-CG2 3.81Å; V282-L296 HydrophobicContact CG1-CD2 4.21Å; V282-L296 HydrophobicContact CG2-CD1 4.03Å; V282-L296 HydrophobicContact CG2-CD2 4.37Å; V282-L296 HydrophobicContact CG2-CG 4.42Å; V282-M485 HydrophobicContact CB-CB 3.94Å; V282-M485 HydrophobicContact CG1-CB 4.15Å |
| 283 | A | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -82.8 | -25.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L275 Q279 M280 A286 L287 V305 I309 | L275-A283 HydrophobicContact CD1-CB 4.11Å; Q279-A283 VanDerWaalsContact O-CB 3.25Å; Q279-A283 WeakPolarHBondContact O-CB 3.38Å; Q279-A283 PolarHBondContact O-N 3.43Å; Q279-A283 VanDerWaalsContact O-N 3.08Å; M280-A283 HydrophobicContact CE-CB 3.75Å; M280-A283 PolarHBondContact O-N 3.46Å; A283-A286 WeakPolarHBondContact O-CA 3.43Å; A283-A286 WeakPolarHBondContact O-CB 3.33Å; A283-A286 PolarHBondContact O-N 3.14Å; A283-L287 PolarHBondContact O-N 2.93Å; A283-L287 VanDerWaalsContact O-N 3.12Å; A283-V305 HydrophobicContact CB-CG1 3.71Å; A283-I309 HydrophobicContact CB-CD1 4.06Å; A283-I309 HydrophobicContact CB-CG1 4.17Å |
| 284 | R | 96.6 | Very high | 95.7 | Very high | 140 Ų | 140 | 50.3 Ų | 50.3 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -49.7 | -50.4 | -172 | -177 | -176.4 | -61.4 | 141.3 | 1.6 | 114.2 | M280 A286 L287 E288 | M280-R284 PolarHBondContact O-N 3.08Å; R284-A286 VanDerWaalsContact C-N 3.26Å; R284-A286 PolarHBondContact O-N 2.9Å; R284-L287 WeakPolarHBondContact O-CB 3.38Å; R284-L287 PolarHBondContact O-N 3.45Å; R284-E288 WeakPolarHBondContact CG-OE1 3.41Å; R284-E288 PolarHBondContact O-N 3.11Å; R284-E288 VanDerWaalsContact O-N 3.16Å |
| 285 | P | 96.8 | Very high | 96 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.071 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -30.7 | -179.4 | -19.4 | 32.7 | 0 | 0 | 0 | 113.1 | L287 E288 G289 E290 V292 M485 | P285-L287 VanDerWaalsContact C-N 3.34Å; P285-E288 PolarHBondContact O-N 3.37Å; P285-G289 PolarHBondContact O-N 2.87Å; P285-E290 HydrophobicContact CB-CB 4.29Å; P285-E290 VanDerWaalsContact O-CB 3.28Å; P285-E290 WeakPolarHBondContact O-CB 3.32Å; P285-E290 PolarHBondContact O-N 2.72Å; P285-V292 HydrophobicContact CB-CG1 3.85Å; P285-M485 HydrophobicContact CG-CE 3.77Å; P285-M485 HydrophobicContact CG-CG 4.49Å; P285-M485 HydrophobicContact CG-SD 3.97Å |
| 286 | A | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A283 R284 E288 G289 V292 I309 Q449 L451 | A283-A286 WeakPolarHBondContact O-CA 3.43Å; A283-A286 WeakPolarHBondContact O-CB 3.33Å; A283-A286 PolarHBondContact O-N 3.14Å; R284-A286 VanDerWaalsContact C-N 3.26Å; R284-A286 PolarHBondContact O-N 2.9Å; A286-E288 PolarHBondContact O-N 2.59Å; A286-G289 PolarHBondContact O-N 3.04Å; A286-G289 VanDerWaalsContact O-N 3.1Å; A286-V292 HydrophobicContact CB-CG2 3.73Å; A286-I309 HydrophobicContact CB-CD1 3.69Å; A286-I309 HydrophobicContact CB-CG1 4.21Å; A286-I309 HydrophobicContact CB-CG2 4.16Å; A286-Q449 PolarHBondContact O-NE2 2.94Å; A286-L451 HydrophobicContact CB-CD1 4.34Å |
| 287 | L | 97 | Very high | 95.8 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -26.3 | 174.7 | -60.2 | 177.3 | 0 | 0 | 0 | 112.8 | M280 A283 R284 P285 G289 Y308 I309 K312 | M280-L287 HydrophobicContact CE-CD1 3.27Å; M280-L287 HydrophobicContact CE-CG 4.4Å; A283-L287 PolarHBondContact O-N 2.93Å; A283-L287 VanDerWaalsContact O-N 3.12Å; R284-L287 WeakPolarHBondContact O-CB 3.38Å; R284-L287 PolarHBondContact O-N 3.45Å; P285-L287 VanDerWaalsContact C-N 3.34Å; L287-G289 PolarHBondContact O-N 3.07Å; L287-Y308 HydrophobicContact CD1-CE1 3.88Å; L287-Y308 HydrophobicContact CD2-CD1 4.27Å; L287-Y308 HydrophobicContact CD2-CE1 4.17Å; L287-I309 HydrophobicContact CD2-CB 4.42Å; L287-I309 HydrophobicContact CD2-CG1 4.04Å; L287-K312 HydrophobicContact CD2-CB 3.7Å; L287-K312 HydrophobicContact CD2-CG 4.03Å |
| 288 | E | 96.3 | Very high | 95.5 | Very high | 125 Ų | 125 | 34.4 Ų | 34.4 | 58% | 0.584 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.6 | 174 | -66.2 | 165 | -175.3 | 0 | 0 | 112.5 | R284 P285 A286 | R284-E288 WeakPolarHBondContact CG-OE1 3.41Å; R284-E288 PolarHBondContact O-N 3.11Å; R284-E288 VanDerWaalsContact O-N 3.16Å; P285-E288 PolarHBondContact O-N 3.37Å; A286-E288 PolarHBondContact O-N 2.59Å |
| 289 | G | 95.3 | Very high | 95 | Very high | 44 Ų | 44 | 35 Ų | 35 | 45% | 0.454 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 9.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P285 A286 L287 Q449 | P285-G289 PolarHBondContact O-N 2.87Å; A286-G289 PolarHBondContact O-N 3.04Å; A286-G289 VanDerWaalsContact O-N 3.1Å; L287-G289 PolarHBondContact O-N 3.07Å; G289-Q449 VanDerWaalsContact C-NE2 3.35Å |
| 290 | E | 97.6 | Very high | 94.6 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | trans | -77.3 | 145.5 | 175.2 | -61.9 | -168.8 | -151.9 | 0 | 0 | 112 | P285 V292 Q449 S482 K483 | P285-E290 HydrophobicContact CB-CB 4.29Å; P285-E290 VanDerWaalsContact O-CB 3.28Å; P285-E290 WeakPolarHBondContact O-CB 3.32Å; P285-E290 PolarHBondContact O-N 2.72Å; E290-V292 HydrophobicContact CB-CG1 4.23Å; E290-Q449 PolarHBondContact O-NE2 2.69Å; E290-S482 WeakPolarHBondContact OE2-CB 3.45Å; E290-S482 PolarHBondContact OE2-OG 3.28Å; E290-K483 VanDerWaalsContact CD-NZ 3.32Å; E290-K483 IonicContact OE1-NZ 3.94Å; E290-K483 PolarHBondContact OE1-NZ 2.87Å; E290-K483 WeakPolarHBondContact OE2-CE 3.27Å; E290-K483 IonicContact OE2-NZ 2.77Å; E290-K483 PolarHBondContact OE2-NZ 3.02Å | ||
| 291 | N | 98.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 34 Ų | 34 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | trans | -76.3 | 123.1 | 169.8 | -69.2 | -10.4 | 0 | 0 | 0 | 109.6 | Y427 Q449 I450 D480 A481 S482 | N291-Y427 PolarHBondContact ND2-OH 2.91Å; N291-Y427 VanDerWaalsContact ND2-OH 3.09Å; N291-Q449 WeakPolarHBondContact OD1-CA 3.49Å; N291-I450 VanDerWaalsContact CA-O 3.24Å; N291-I450 WeakPolarHBondContact CA-O 3.41Å; N291-I450 HydrophobicContact CB-CB 4.3Å; N291-I450 PolarHBondContact OD1-N 2.96Å; N291-D480 WeakPolarHBondContact CB-O 3.29Å; N291-D480 PolarHBondContact ND2-O 3.47Å; N291-D480 PolarHBondContact ND2-OD2 3.4Å; N291-A481 CarbonylContact O-C 3.56Å; N291-A481 WeakPolarHBondContact O-CA 3.3Å; N291-S482 PolarHBondContact O-N 2.97Å; N291-S482 PolarHBondContact O-OG 3.27Å | ||
| 292 | V | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.2 | -175.6 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | P285 A286 E290 I294 I450 L451 G452 K483 M485 | P285-V292 HydrophobicContact CB-CG1 3.85Å; A286-V292 HydrophobicContact CB-CG2 3.73Å; E290-V292 HydrophobicContact CB-CG1 4.23Å; V292-I294 HydrophobicContact CG2-CG1 4.27Å; V292-I450 PolarHBondContact N-O 2.88Å; V292-I450 VanDerWaalsContact N-O 3.13Å; V292-L451 HydrophobicContact CG2-CD1 3.7Å; V292-G452 PolarHBondContact O-N 3.41Å; V292-K483 WeakPolarHBondContact CA-O 3.43Å; V292-K483 HydrophobicContact CG1-CB 4.34Å; V292-M485 HydrophobicContact CB-CG 4.42Å |
| 293 | I | 98.5 | Very high | 94 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.9 | 165.6 | -65.2 | 168.6 | 0 | 0 | 0 | 108.3 | G452 T454 I475 C476 L479 A481 K483 I484 M485 | I293-G452 CarbonylContact C-O 3.47Å; I293-G452 WeakPolarHBondContact CA-O 3.49Å; I293-T454 HydrophobicContact CG2-CG2 4.27Å; I293-I475 HydrophobicContact CD1-CG2 4.02Å; I293-C476 HydrophobicContact CD1-CB 4.37Å; I293-L479 HydrophobicContact CD1-CB 4.25Å; I293-L479 HydrophobicContact CD1-CD1 3.63Å; I293-L479 HydrophobicContact CG1-CB 4.38Å; I293-L479 HydrophobicContact CG1-CD1 3.77Å; I293-A481 HydrophobicContact CD1-CB 3.95Å; I293-A481 HydrophobicContact CG1-CB 3.84Å; I293-K483 PolarHBondContact N-O 3.26Å; I293-K483 VanDerWaalsContact N-O 3.14Å; I293-I484 HydrophobicContact CB-CG1 4.25Å; I293-I484 HydrophobicContact CG2-CD1 4.4Å; I293-I484 HydrophobicContact CG2-CG1 4.18Å; I293-M485 PolarHBondContact O-N 3.17Å |
| 294 | I | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 112.7 | 172.1 | -61.4 | -178.3 | 0 | 0 | 0 | 108.8 | V282 V292 L296 V305 I309 L451 G452 L453 T454 M485 | V282-I294 HydrophobicContact CB-CG2 4.16Å; V282-I294 HydrophobicContact CG2-CD1 4.35Å; V282-I294 HydrophobicContact CG2-CG2 3.81Å; V292-I294 HydrophobicContact CG2-CG1 4.27Å; I294-L296 HydrophobicContact CG2-CD1 3.84Å; I294-L296 HydrophobicContact CG2-CG 3.73Å; I294-V305 HydrophobicContact CD1-CG1 3.82Å; I294-I309 HydrophobicContact CD1-CD1 4.02Å; I294-L451 HydrophobicContact CD1-CD1 3.77Å; I294-L451 HydrophobicContact CG1-CD1 3.97Å; I294-G452 PolarHBondContact N-O 2.9Å; I294-L453 HydrophobicContact CB-CD2 4.05Å; I294-L453 HydrophobicContact CD1-CD2 4.43Å; I294-T454 PolarHBondContact O-N 3.24Å; I294-M485 HydrophobicContact CG1-CB 4.46Å |
| 295 | C | 95.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 8% | 0.081 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 101 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | T454 M485 T486 | C295-T454 WeakPolarHBondContact CA-O 3.35Å; C295-T454 HydrophobicContact CB-CG2 4.37Å; C295-M485 WeakPolarHBondContact CB-O 3.48Å; C295-M485 PolarHBondContact N-O 3.47Å; C295-T486 HydrophobicContact CB-CG2 4.1Å |
| 296 | L | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -129.1 | 138.1 | 177.8 | -66.2 | 174.9 | 0 | 0 | 0 | 111.3 | Y278 V282 I294 K302 V305 T454 A455 I489 | Y278-L296 HydrophobicContact CD2-CD2 4.36Å; V282-L296 HydrophobicContact CG1-CD2 4.21Å; V282-L296 HydrophobicContact CG2-CD1 4.03Å; V282-L296 HydrophobicContact CG2-CD2 4.37Å; V282-L296 HydrophobicContact CG2-CG 4.42Å; I294-L296 HydrophobicContact CG2-CD1 3.84Å; I294-L296 HydrophobicContact CG2-CG 3.73Å; L296-K302 HydrophobicContact CB-CD 4.25Å; L296-K302 HydrophobicContact CB-CG 3.74Å; L296-K302 HydrophobicContact CD1-CG 4.29Å; L296-K302 WeakPolarHBondContact O-CD 3.41Å; L296-K302 PolarHBondContact O-NZ 3.18Å; L296-V305 HydrophobicContact CD1-CG2 4.39Å; L296-T454 PolarHBondContact N-O 3.4Å; L296-A455 VanDerWaalsContact O-CA 3.31Å; L296-A455 WeakPolarHBondContact O-CA 3.43Å; L296-I489 HydrophobicContact CD2-CD1 3.83Å | ||
| 297 | P | 88.9 | Confident | 93.7 | Very high | 49 Ų | 49 | 29.6 Ų | 29.6 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | trans | -52.2 | 155.4 | 177.9 | -24.3 | 32.8 | 0 | 0 | 0 | 113.9 | G299 S300 K302 I489 | P297-G299 PolarHBondContact O-N 2.96Å; P297-S300 VanDerWaalsContact O-CB 3.24Å; P297-S300 WeakPolarHBondContact O-CB 3.37Å; P297-S300 PolarHBondContact O-N 3.37Å; P297-S300 VanDerWaalsContact O-N 3.16Å; P297-S300 PolarHBondContact O-OG 3.1Å; P297-K302 PolarHBondContact O-NZ 3.21Å; P297-I489 HydrophobicContact CG-CD1 4.27Å | ||
| 298 | T | 87.1 | Confident | 93.7 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 17% | 0.172 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 137.2 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | S300 | T298-S300 VanDerWaalsContact C-N 3.32Å; T298-S300 PolarHBondContact O-N 2.84Å |
| 299 | G | 82.4 | Confident | 93.8 | Very high | 53 Ų | 53 | 22.4 Ų | 22.4 | 55% | 0.546 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -5.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P297 G301 | P297-G299 PolarHBondContact O-N 2.96Å; G299-G301 PolarHBondContact O-N 3.32Å |
| 300 | S | 86.7 | Confident | 93.9 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -78.1 | 2.7 | -179.5 | -48.1 | 0 | 0 | 0 | 0 | 114.8 | Y278 Q279 P297 T298 I489 | Y278-S300 PolarHBondContact OH-O 2.98Å; Q279-S300 PolarHBondContact NE2-O 3.05Å; P297-S300 VanDerWaalsContact O-CB 3.24Å; P297-S300 WeakPolarHBondContact O-CB 3.37Å; P297-S300 PolarHBondContact O-N 3.37Å; P297-S300 VanDerWaalsContact O-N 3.16Å; P297-S300 PolarHBondContact O-OG 3.1Å; T298-S300 VanDerWaalsContact C-N 3.32Å; T298-S300 PolarHBondContact O-N 2.84Å; S300-I489 WeakPolarHBondContact OG-CD1 3.42Å |
| 301 | G | 88.4 | Confident | 93.9 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 26% | 0.258 | 12% | 0.119 | S | C | . | . | trans | 77.6 | 38.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G299 T303 R304 V305 | G299-G301 PolarHBondContact O-N 3.32Å; G301-T303 VanDerWaalsContact C-N 3.29Å; G301-T303 PolarHBondContact O-N 3.45Å; G301-R304 WeakPolarHBondContact O-CB 3.37Å; G301-R304 PolarHBondContact O-N 2.92Å; G301-R304 VanDerWaalsContact O-N 3.12Å; G301-V305 PolarHBondContact O-N 3.45Å | ||
| 302 | K | 92.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 9% | 0.087 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -50.9 | -46.7 | 177.1 | -76.7 | -169.6 | -68.8 | -74.2 | 0 | 112.9 | L296 P297 R304 V305 A306 T454 | L296-K302 HydrophobicContact CB-CD 4.25Å; L296-K302 HydrophobicContact CB-CG 3.74Å; L296-K302 HydrophobicContact CD1-CG 4.29Å; L296-K302 WeakPolarHBondContact O-CD 3.41Å; L296-K302 PolarHBondContact O-NZ 3.18Å; P297-K302 PolarHBondContact O-NZ 3.21Å; K302-R304 VanDerWaalsContact C-N 3.33Å; K302-R304 PolarHBondContact O-N 2.95Å; K302-V305 WeakPolarHBondContact O-CB 3.49Å; K302-V305 PolarHBondContact O-N 2.95Å; K302-A306 PolarHBondContact O-N 3.32Å; K302-A306 VanDerWaalsContact O-N 3.17Å; K302-T454 WeakPolarHBondContact CD-O 3.33Å |
| 303 | T | 91.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -35.1 | -178.6 | -43 | 0 | 0 | 0 | 0 | 111.7 | G301 V305 A306 V307 H339 E343 F344 | G301-T303 VanDerWaalsContact C-N 3.29Å; G301-T303 PolarHBondContact O-N 3.45Å; T303-V305 VanDerWaalsContact C-N 3.31Å; T303-V305 PolarHBondContact O-N 2.96Å; T303-A306 WeakPolarHBondContact O-CA 3.28Å; T303-A306 VanDerWaalsContact O-CB 3.25Å; T303-A306 WeakPolarHBondContact O-CB 3.33Å; T303-A306 PolarHBondContact O-N 3.1Å; T303-A306 VanDerWaalsContact O-N 3.08Å; T303-V307 WeakPolarHBondContact O-CG2 3.18Å; T303-V307 PolarHBondContact O-N 3.44Å; T303-H339 WeakPolarHBondContact CG2-ND1 3.42Å; T303-E343 HydrophobicContact CG2-CB 3.72Å; T303-E343 HydrophobicContact CG2-CG 3.62Å; T303-F344 HydrophobicContact CG2-CE2 4.17Å |
| 304 | R | 93.1 | Very high | 93.7 | Very high | 88 Ų | 88 | 24.6 Ų | 24.6 | 33% | 0.332 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 173.1 | -176.3 | 59.5 | 62.2 | 98 | -1.2 | 112.3 | L275 G301 K302 A306 V307 Y308 E343 | L275-R304 HydrophobicContact CD2-CG 4.05Å; G301-R304 WeakPolarHBondContact O-CB 3.37Å; G301-R304 PolarHBondContact O-N 2.92Å; G301-R304 VanDerWaalsContact O-N 3.12Å; K302-R304 VanDerWaalsContact C-N 3.33Å; K302-R304 PolarHBondContact O-N 2.95Å; R304-A306 VanDerWaalsContact C-N 3.3Å; R304-A306 PolarHBondContact O-N 3.14Å; R304-V307 PolarHBondContact O-N 2.69Å; R304-Y308 PolarHBondContact O-N 3.03Å; R304-E343 IonicContact NE-OE2 2.96Å; R304-E343 PolarHBondContact NE-OE2 2.81Å; R304-E343 IonicContact NH2-OE2 2.72Å |
| 305 | V | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 111 | L275 Q279 A283 I294 L296 G301 K302 T303 Y308 I309 | L275-V305 HydrophobicContact CD2-CG2 4.37Å; Q279-V305 HydrophobicContact CB-CG2 3.76Å; Q279-V305 HydrophobicContact CG-CG2 3.84Å; A283-V305 HydrophobicContact CB-CG1 3.71Å; I294-V305 HydrophobicContact CD1-CG1 3.82Å; L296-V305 HydrophobicContact CD1-CG2 4.39Å; G301-V305 PolarHBondContact O-N 3.45Å; K302-V305 WeakPolarHBondContact O-CB 3.49Å; K302-V305 PolarHBondContact O-N 2.95Å; T303-V305 VanDerWaalsContact C-N 3.31Å; T303-V305 PolarHBondContact O-N 2.96Å; V305-Y308 PolarHBondContact O-N 2.84Å; V305-I309 HydrophobicContact CG1-CD1 3.77Å; V305-I309 HydrophobicContact CG1-CG1 4.44Å; V305-I309 WeakPolarHBondContact O-CG1 3.36Å; V305-I309 PolarHBondContact O-N 3.46Å |
| 306 | A | 96.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K302 T303 R304 I309 T310 I407 L453 | K302-A306 PolarHBondContact O-N 3.32Å; K302-A306 VanDerWaalsContact O-N 3.17Å; T303-A306 WeakPolarHBondContact O-CA 3.28Å; T303-A306 VanDerWaalsContact O-CB 3.25Å; T303-A306 WeakPolarHBondContact O-CB 3.33Å; T303-A306 PolarHBondContact O-N 3.1Å; T303-A306 VanDerWaalsContact O-N 3.08Å; R304-A306 VanDerWaalsContact C-N 3.3Å; R304-A306 PolarHBondContact O-N 3.14Å; A306-I309 PolarHBondContact O-N 2.92Å; A306-T310 WeakPolarHBondContact O-CB 3.2Å; A306-T310 PolarHBondContact O-N 3.16Å; A306-T310 PolarHBondContact O-OG1 3.35Å; A306-I407 HydrophobicContact CB-CD1 4.29Å; A306-I407 HydrophobicContact CB-CG2 4.22Å; A306-L453 HydrophobicContact CB-CD1 3.63Å |
| 307 | V | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | I273 T303 R304 T310 Q311 E343 F344 L347 | I273-V307 HydrophobicContact CD1-CG1 3.9Å; T303-V307 WeakPolarHBondContact O-CG2 3.18Å; T303-V307 PolarHBondContact O-N 3.44Å; R304-V307 PolarHBondContact O-N 2.69Å; V307-T310 WeakPolarHBondContact O-CB 3.18Å; V307-T310 PolarHBondContact O-N 2.92Å; V307-Q311 PolarHBondContact O-N 3.17Å; V307-E343 HydrophobicContact CG2-CB 4.01Å; V307-F344 HydrophobicContact CG2-CD1 4.17Å; V307-F344 HydrophobicContact CG2-CD2 3.77Å; V307-F344 HydrophobicContact CG2-CE1 4.1Å; V307-F344 HydrophobicContact CG2-CE2 3.7Å; V307-F344 HydrophobicContact CG2-CG 4.01Å; V307-F344 HydrophobicContact CG2-CZ 3.86Å; V307-L347 HydrophobicContact CG1-CD1 3.94Å; V307-L347 HydrophobicContact CG1-CD2 4.29Å; V307-L347 HydrophobicContact CG1-CG 3.95Å |
| 308 | Y | 97.1 | Very high | 94 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 15% | 0.153 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 178.2 | -176.7 | -92.2 | 0 | 0 | 0 | 112.6 | I273 L275 M280 L287 R304 V305 T310 Q311 K312 | I273-Y308 HydrophobicContact CB-CD2 4.44Å; I273-Y308 HydrophobicContact CG2-CD2 3.96Å; I273-Y308 WeakPolarHBondContact O-CD2 3.37Å; I273-Y308 WeakPolarHBondContact O-CE2 3.47Å; L275-Y308 HydrophobicContact CD1-CD1 3.41Å; L275-Y308 VanDerWaalsContact CD1-CD1 3.41Å; L275-Y308 HydrophobicContact CD1-CD2 4.34Å; L275-Y308 HydrophobicContact CD1-CE1 4.01Å; L275-Y308 HydrophobicContact CD1-CG 3.6Å; L275-Y308 HydrophobicContact CD2-CG 4.2Å; L275-Y308 HydrophobicContact CG-CD1 3.98Å; L275-Y308 HydrophobicContact CG-CD2 3.97Å; L275-Y308 HydrophobicContact CG-CG 3.66Å; M280-Y308 HydrophobicContact CE-CE1 4.15Å; M280-Y308 HydrophobicContact SD-CE1 4.25Å; L287-Y308 HydrophobicContact CD1-CE1 3.88Å; L287-Y308 HydrophobicContact CD2-CD1 4.27Å; L287-Y308 HydrophobicContact CD2-CE1 4.17Å; R304-Y308 PolarHBondContact O-N 3.03Å; V305-Y308 PolarHBondContact O-N 2.84Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 3Å; Y308-Q311 PolarHBondContact O-N 3.07Å; Y308-K312 HydrophobicContact CD1-CG 4.26Å; Y308-K312 HydrophobicContact CE1-CG 3.83Å; Y308-K312 PolarHBondContact O-N 3.15Å; Y308-K312 VanDerWaalsContact OH-CE 3.29Å; Y308-K312 WeakPolarHBondContact OH-CE 3.39Å |
| 309 | I | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -42 | 175.5 | -67.5 | 163.8 | 0 | 0 | 0 | 110.4 | A283 A286 L287 I294 V305 A306 Q311 K312 H313 L405 L451 | A283-I309 HydrophobicContact CB-CD1 4.06Å; A283-I309 HydrophobicContact CB-CG1 4.17Å; A286-I309 HydrophobicContact CB-CD1 3.69Å; A286-I309 HydrophobicContact CB-CG1 4.21Å; A286-I309 HydrophobicContact CB-CG2 4.16Å; L287-I309 HydrophobicContact CD2-CB 4.42Å; L287-I309 HydrophobicContact CD2-CG1 4.04Å; I294-I309 HydrophobicContact CD1-CD1 4.02Å; V305-I309 HydrophobicContact CG1-CD1 3.77Å; V305-I309 HydrophobicContact CG1-CG1 4.44Å; V305-I309 WeakPolarHBondContact O-CG1 3.36Å; V305-I309 PolarHBondContact O-N 3.46Å; A306-I309 PolarHBondContact O-N 2.92Å; I309-Q311 PolarHBondContact O-N 2.89Å; I309-K312 PolarHBondContact O-N 2.91Å; I309-H313 WeakPolarHBondContact O-CB 3.28Å; I309-H313 PolarHBondContact O-N 2.89Å; I309-L405 HydrophobicContact CG2-CD2 4.35Å; I309-L451 HydrophobicContact CB-CD2 4.4Å; I309-L451 HydrophobicContact CD1-CD1 4.22Å; I309-L451 HydrophobicContact CD1-CD2 3.66Å; I309-L451 HydrophobicContact CG2-CD2 4.27Å |
| 310 | T | 98 | Very high | 95 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 177 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | A306 V307 Y308 H313 L314 V326 F344 L347 I375 I407 | A306-T310 WeakPolarHBondContact O-CB 3.2Å; A306-T310 PolarHBondContact O-N 3.16Å; A306-T310 PolarHBondContact O-OG1 3.35Å; V307-T310 WeakPolarHBondContact O-CB 3.18Å; V307-T310 PolarHBondContact O-N 2.92Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 3Å; T310-H313 PolarHBondContact O-N 2.98Å; T310-L314 HydrophobicContact CG2-CD1 3.99Å; T310-L314 WeakPolarHBondContact O-CB 3.49Å; T310-L314 WeakPolarHBondContact O-CG 3.38Å; T310-L314 PolarHBondContact O-N 2.84Å; T310-V326 HydrophobicContact CG2-CB 4.23Å; T310-V326 HydrophobicContact CG2-CG1 4.07Å; T310-V326 HydrophobicContact CG2-CG2 4.04Å; T310-F344 HydrophobicContact CG2-CE1 4.15Å; T310-L347 HydrophobicContact CG2-CD1 3.85Å; T310-I375 HydrophobicContact CG2-CD1 3.63Å; T310-I375 HydrophobicContact CG2-CG1 3.99Å; T310-I407 WeakPolarHBondContact OG1-CD1 3.42Å |
| 311 | Q | 96.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -54.8 | 178.9 | -171.4 | -179 | 25.2 | 0 | 0 | 111.1 | V307 Y308 I309 H313 L314 D315 L347 | V307-Q311 PolarHBondContact O-N 3.17Å; Y308-Q311 PolarHBondContact O-N 3.07Å; I309-Q311 PolarHBondContact O-N 2.89Å; Q311-H313 VanDerWaalsContact C-N 3.32Å; Q311-H313 PolarHBondContact O-N 3.14Å; Q311-L314 PolarHBondContact O-N 2.88Å; Q311-D315 WeakPolarHBondContact O-CB 3.22Å; Q311-D315 PolarHBondContact O-N 2.86Å; Q311-L347 HydrophobicContact CB-CD2 3.83Å; Q311-L347 HydrophobicContact CG-CD2 3.95Å |
| 312 | K | 96.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | -178.3 | -67.3 | -59 | -177.1 | -171 | 0 | 113 | L287 Y308 I309 S316 | L287-K312 HydrophobicContact CD2-CB 3.7Å; L287-K312 HydrophobicContact CD2-CG 4.03Å; Y308-K312 HydrophobicContact CD1-CG 4.26Å; Y308-K312 HydrophobicContact CE1-CG 3.83Å; Y308-K312 PolarHBondContact O-N 3.15Å; Y308-K312 VanDerWaalsContact OH-CE 3.29Å; Y308-K312 WeakPolarHBondContact OH-CE 3.39Å; I309-K312 PolarHBondContact O-N 2.91Å; K312-S316 WeakPolarHBondContact O-CB 3.26Å; K312-S316 PolarHBondContact O-N 3.03Å |
| 313 | H | 97.8 | Very high | 95.5 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 174.8 | 179 | 85.3 | 0 | 0 | 0 | 111.5 | I309 T310 Q311 R317 T404 L405 | I309-H313 WeakPolarHBondContact O-CB 3.28Å; I309-H313 PolarHBondContact O-N 2.89Å; T310-H313 PolarHBondContact O-N 2.98Å; Q311-H313 VanDerWaalsContact C-N 3.32Å; Q311-H313 PolarHBondContact O-N 3.14Å; H313-R317 WeakPolarHBondContact O-CG 3.4Å; H313-R317 PolarHBondContact O-N 3.24Å; H313-R317 VanDerWaalsContact O-N 3.1Å; H313-T404 WeakPolarHBondContact NE2-CB 3.41Å; H313-T404 PolarHBondContact NE2-OG1 2.73Å; H313-L405 HydrophobicContact CB-CD2 4.21Å |
| 314 | L | 97.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 179.2 | -71.1 | 174.7 | 0 | 0 | 0 | 112.5 | T310 Q311 S316 R317 R318 V326 Y351 I375 | T310-L314 HydrophobicContact CG2-CD1 3.99Å; T310-L314 WeakPolarHBondContact O-CB 3.49Å; T310-L314 WeakPolarHBondContact O-CG 3.38Å; T310-L314 PolarHBondContact O-N 2.84Å; Q311-L314 PolarHBondContact O-N 2.88Å; L314-S316 PolarHBondContact O-N 3.34Å; L314-R317 PolarHBondContact O-N 3.4Å; L314-R318 WeakPolarHBondContact O-CB 3.48Å; L314-R318 PolarHBondContact O-N 3.47Å; L314-V326 HydrophobicContact CD1-CG2 4.19Å; L314-V326 HydrophobicContact CD2-CG2 3.87Å; L314-V326 HydrophobicContact CG-CG2 3.95Å; L314-Y351 HydrophobicContact CB-CD1 4.31Å; L314-Y351 HydrophobicContact CB-CE1 3.56Å; L314-Y351 HydrophobicContact CB-CE2 4.17Å; L314-Y351 VanDerWaalsContact CB-CZ 3.48Å; L314-Y351 WeakPolarHBondContact CB-OH 3.4Å; L314-Y351 HydrophobicContact CD1-CD1 3.78Å; L314-Y351 HydrophobicContact CD1-CD2 4.18Å; L314-Y351 HydrophobicContact CD1-CE1 3.9Å; L314-Y351 HydrophobicContact CD1-CE2 4.31Å; L314-Y351 HydrophobicContact CD1-CG 3.92Å; L314-Y351 HydrophobicContact CG-CE1 4.26Å; L314-I375 HydrophobicContact CD1-CD1 3.74Å; L314-I375 HydrophobicContact CD1-CG1 3.66Å |
| 315 | D | 96 | Very high | 95.9 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.9 | -68.3 | -15.7 | 0 | 0 | 0 | 110.7 | Q311 R317 R318 A319 Y351 | Q311-D315 WeakPolarHBondContact O-CB 3.22Å; Q311-D315 PolarHBondContact O-N 2.86Å; D315-R317 PolarHBondContact O-N 3.28Å; D315-R318 PolarHBondContact O-N 3.25Å; D315-A319 WeakPolarHBondContact O-CB 3.35Å; D315-A319 PolarHBondContact O-N 3.3Å; D315-Y351 PolarHBondContact N-OH 3.27Å; D315-Y351 PolarHBondContact OD1-OH 3.16Å |
| 316 | S | 96.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 42% | 0.42 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 176.7 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | K312 L314 R318 A319 E320 | K312-S316 WeakPolarHBondContact O-CB 3.26Å; K312-S316 PolarHBondContact O-N 3.03Å; L314-S316 PolarHBondContact O-N 3.34Å; S316-R318 PolarHBondContact O-N 2.81Å; S316-A319 PolarHBondContact O-N 3.07Å; S316-E320 WeakPolarHBondContact O-CG 3.24Å; S316-E320 PolarHBondContact O-N 3.29Å; S316-E320 PolarHBondContact OG-OE1 2.92Å |
| 317 | R | 95.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 179 | -67.2 | -72.5 | -72.3 | -166.4 | -6.1 | 111.7 | H313 L314 D315 E320 G321 K322 P323 | H313-R317 WeakPolarHBondContact O-CG 3.4Å; H313-R317 PolarHBondContact O-N 3.24Å; H313-R317 VanDerWaalsContact O-N 3.1Å; L314-R317 PolarHBondContact O-N 3.4Å; D315-R317 PolarHBondContact O-N 3.28Å; R317-E320 CarbonylContact O-C 3.19Å; R317-E320 PolarHBondContact O-N 3.2Å; R317-G321 PolarHBondContact O-N 2.68Å; R317-K322 CarbonylContact C-O 3.48Å; R317-K322 PolarHBondContact O-N 3.24Å; R317-P323 VanDerWaalsContact CZ-O 3.3Å; R317-P323 PolarHBondContact NE-O 3.35Å; R317-P323 PolarHBondContact NH2-O 3.35Å |
| 318 | R | 94.8 | Very high | 96.2 | Very high | 138 Ų | 138 | 49.5 Ų | 49.5 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 176 | -173.7 | -177.1 | -74.1 | -177.5 | -3.2 | 111 | L314 D315 S316 E320 G321 T350 | L314-R318 WeakPolarHBondContact O-CB 3.48Å; L314-R318 PolarHBondContact O-N 3.47Å; D315-R318 PolarHBondContact O-N 3.25Å; S316-R318 PolarHBondContact O-N 2.81Å; R318-E320 VanDerWaalsContact C-N 3.29Å; R318-E320 PolarHBondContact O-N 2.95Å; R318-G321 PolarHBondContact O-N 3.46Å; R318-T350 PolarHBondContact NH2-O 3.06Å; R318-T350 VanDerWaalsContact NH2-O 3.07Å |
| 319 | A | 95.2 | Very high | 96.2 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 76% | 0.76 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.7 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D315 S316 G321 | D315-A319 WeakPolarHBondContact O-CB 3.35Å; D315-A319 PolarHBondContact O-N 3.3Å; S316-A319 PolarHBondContact O-N 3.07Å; A319-G321 VanDerWaalsContact C-N 3.26Å; A319-G321 PolarHBondContact O-N 3.06Å |
| 320 | E | 94.8 | Very high | 96.1 | Very high | 99 Ų | 99 | 47.6 Ų | 47.6 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.6 | 174.1 | -70.3 | 173.5 | -138.5 | 0 | 0 | 114.1 | S316 R317 R318 K322 | S316-E320 WeakPolarHBondContact O-CG 3.24Å; S316-E320 PolarHBondContact O-N 3.29Å; S316-E320 PolarHBondContact OG-OE1 2.92Å; R317-E320 CarbonylContact O-C 3.19Å; R317-E320 PolarHBondContact O-N 3.2Å; R318-E320 VanDerWaalsContact C-N 3.29Å; R318-E320 PolarHBondContact O-N 2.95Å; E320-K322 HydrophobicContact CB-CD 4.2Å; E320-K322 HydrophobicContact CB-CG 4.2Å; E320-K322 PolarHBondContact O-N 2.91Å; E320-K322 WeakPolarHBondContact OE2-CD 3.45Å; E320-K322 WeakPolarHBondContact OE2-CE 3.38Å; E320-K322 IonicContact OE2-NZ 3.92Å; E320-K322 PolarHBondContact OE2-NZ 3.49Å |
| 321 | G | 93.5 | Very high | 95.8 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 22.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R317 R318 A319 | R317-G321 PolarHBondContact O-N 2.68Å; R318-G321 PolarHBondContact O-N 3.46Å; A319-G321 VanDerWaalsContact C-N 3.26Å; A319-G321 PolarHBondContact O-N 3.06Å |
| 322 | K | 93.4 | Very high | 95.4 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | trans | -104.5 | 147.8 | -179.8 | -67.6 | 176.6 | -169.9 | 157.4 | 0 | 110.8 | R317 E320 G324 | R317-K322 CarbonylContact C-O 3.48Å; R317-K322 PolarHBondContact O-N 3.24Å; E320-K322 HydrophobicContact CB-CD 4.2Å; E320-K322 HydrophobicContact CB-CG 4.2Å; E320-K322 PolarHBondContact O-N 2.91Å; E320-K322 WeakPolarHBondContact OE2-CD 3.45Å; E320-K322 WeakPolarHBondContact OE2-CE 3.38Å; E320-K322 IonicContact OE2-NZ 3.92Å; E320-K322 PolarHBondContact OE2-NZ 3.49Å; K322-G324 PolarHBondContact O-N 3.05Å | ||
| 323 | P | 91.8 | Very high | 95 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 68% | 0.675 | 28% | 0.279 | S | S | * | . | trans | -64 | 136.2 | 173.8 | 26.7 | -33.7 | 0 | 0 | 0 | 110.4 | R317 | R317-P323 VanDerWaalsContact CZ-O 3.3Å; R317-P323 PolarHBondContact NE-O 3.35Å; R317-P323 PolarHBondContact NH2-O 3.35Å | ||
| 324 | G | 95.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | trans | -113.6 | 132 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K322 | K322-G324 PolarHBondContact O-N 3.05Š| ||
| 325 | K | 97.5 | Very high | 94.1 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | trans | -146.7 | 123.6 | 179.1 | -162.8 | 152.6 | -63.4 | -167.3 | 0 | 111.1 | V370 E371 N373 D374 I376 D402 L403 T404 L405 | K325-V370 HydrophobicContact CD-CG1 3.74Å; K325-V370 VanDerWaalsContact CD-O 3.28Å; K325-V370 WeakPolarHBondContact CD-O 3.28Å; K325-V370 WeakPolarHBondContact CE-O 3.44Å; K325-V370 PolarHBondContact NZ-O 3.18Å; K325-E371 PolarHBondContact NZ-O 3.42Å; K325-N373 WeakPolarHBondContact CE-O 3.48Å; K325-D374 CarbonylContact C-O 3.59Å; K325-D374 WeakPolarHBondContact CA-O 3.37Å; K325-I376 HydrophobicContact CG-CD1 4.18Å; K325-D402 WeakPolarHBondContact CD-O 3.3Å; K325-L403 HydrophobicContact CD-CD2 4.24Å; K325-L403 HydrophobicContact CG-CD2 4.02Å; K325-T404 PolarHBondContact N-OG1 2.83Å; K325-T404 WeakPolarHBondContact O-CA 3.29Å; K325-T404 PolarHBondContact O-N 3.03Å; K325-T404 PolarHBondContact O-OG1 3.21Å; K325-L405 PolarHBondContact O-N 3.49Å; K325-L405 VanDerWaalsContact O-N 3.14Å | ||
| 326 | V | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.3 | -173.8 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | T310 L314 D374 I375 I376 L405 I407 | T310-V326 HydrophobicContact CG2-CB 4.23Å; T310-V326 HydrophobicContact CG2-CG1 4.07Å; T310-V326 HydrophobicContact CG2-CG2 4.04Å; L314-V326 HydrophobicContact CD1-CG2 4.19Å; L314-V326 HydrophobicContact CD2-CG2 3.87Å; L314-V326 HydrophobicContact CG-CG2 3.95Å; V326-D374 PolarHBondContact N-O 3.05Å; V326-I375 HydrophobicContact CB-CG1 4.41Å; V326-I375 WeakPolarHBondContact O-CA 3.1Å; V326-I376 PolarHBondContact O-N 2.9Å; V326-L405 WeakPolarHBondContact CA-O 3.45Å; V326-L405 HydrophobicContact CB-CB 4.48Å; V326-L405 HydrophobicContact CG1-CB 4.17Å; V326-L405 HydrophobicContact CG1-CD2 3.91Å; V326-L405 HydrophobicContact CG1-CG 4.03Å; V326-L405 HydrophobicContact CG2-CB 4Å; V326-L405 HydrophobicContact CG2-CD2 4.16Å; V326-I407 HydrophobicContact CG1-CD1 4.04Å; V326-I407 HydrophobicContact CG1-CG1 4.34Å |
| 327 | V | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | L329 I376 L383 L403 L405 I406 I407 | V327-L329 HydrophobicContact CG1-CD2 3.44Å; V327-L329 VanDerWaalsContact CG1-CD2 3.44Å; V327-L329 HydrophobicContact CG1-CG 4.06Å; V327-I376 CarbonylContact C-O 3.59Å; V327-I376 VanDerWaalsContact CA-O 3.3Å; V327-I376 WeakPolarHBondContact CA-O 3.5Å; V327-I376 HydrophobicContact CG2-CB 4.33Å; V327-I376 HydrophobicContact CG2-CD1 4.41Å; V327-L383 HydrophobicContact CG1-CD2 4.3Å; V327-L403 HydrophobicContact CB-CD1 4.34Å; V327-L403 HydrophobicContact CG2-CD1 3.71Å; V327-L403 HydrophobicContact CG2-CD2 3.55Å; V327-L403 HydrophobicContact CG2-CG 4.22Å; V327-L405 PolarHBondContact N-O 3.34Å; V327-I406 WeakPolarHBondContact O-CA 3.35Å; V327-I407 PolarHBondContact O-N 2.76Å |
| 328 | V | 98.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114 | 174 | -173 | 0 | 0 | 0 | 0 | 108.4 | F344 I376 I377 C378 I407 | V328-F344 HydrophobicContact CG2-CE1 3.96Å; V328-F344 HydrophobicContact CG2-CE2 4.22Å; V328-F344 HydrophobicContact CG2-CZ 3.62Å; V328-I376 PolarHBondContact N-O 3.48Å; V328-I377 HydrophobicContact CB-CB 4.47Å; V328-I377 HydrophobicContact CB-CG1 4.15Å; V328-I377 HydrophobicContact CB-CG2 4.33Å; V328-I377 HydrophobicContact CG2-CG1 4.25Å; V328-C378 PolarHBondContact O-N 3.42Å; V328-I407 CarbonylContact C-O 3.58Å; V328-I407 WeakPolarHBondContact CA-O 3.48Å; V328-I407 HydrophobicContact CG1-CB 4.4Å; V328-I407 HydrophobicContact CG1-CG2 4.36Å; V328-I407 HydrophobicContact CG2-CB 4.32Å; V328-I407 HydrophobicContact CG2-CD1 4.25Å |
| 329 | L | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.8 | -176.1 | -57.3 | -180 | 0 | 0 | 0 | 111.2 | V327 C378 L383 I406 I407 I408 D409 Y420 I423 | V327-L329 HydrophobicContact CG1-CD2 3.44Å; V327-L329 VanDerWaalsContact CG1-CD2 3.44Å; V327-L329 HydrophobicContact CG1-CG 4.06Å; L329-C378 WeakPolarHBondContact CA-O 3.35Å; L329-L383 HydrophobicContact CD1-CD2 4.07Å; L329-L383 HydrophobicContact CD2-CB 4.05Å; L329-L383 HydrophobicContact CD2-CD2 3.81Å; L329-L383 HydrophobicContact CG-CD2 4.47Å; L329-I406 HydrophobicContact CD1-CG2 3.67Å; L329-I406 HydrophobicContact CG-CG2 4.12Å; L329-I407 PolarHBondContact N-O 3.36Å; L329-I408 HydrophobicContact CD1-CG1 4.18Å; L329-D409 PolarHBondContact O-N 2.88Å; L329-Y420 HydrophobicContact CB-CD1 4.4Å; L329-Y420 HydrophobicContact CB-CE1 3.79Å; L329-Y420 PolarHBondContact O-OH 3.45Å; L329-I423 HydrophobicContact CD1-CD1 3.79Å |
| 330 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 157.1 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | K332 L335 V336 H339 C378 T379 A380 D409 Y420 | V330-K332 WeakPolarHBondContact CG2-O 3.33Å; V330-L335 HydrophobicContact CB-CB 3.87Å; V330-L335 HydrophobicContact CB-CD1 4.27Å; V330-L335 HydrophobicContact CG1-CB 3.9Å; V330-L335 HydrophobicContact CG2-CB 4.07Å; V330-V336 HydrophobicContact CG2-CB 4.43Å; V330-V336 HydrophobicContact CG2-CG2 3.34Å; V330-H339 VanDerWaalsContact CG1-CD2 3.48Å; V330-H339 WeakPolarHBondContact CG1-CD2 3.49Å; V330-C378 PolarHBondContact N-O 2.78Å; V330-T379 HydrophobicContact CG2-CG2 4.33Å; V330-T379 WeakPolarHBondContact O-CA 3.05Å; V330-A380 PolarHBondContact O-N 2.93Å; V330-A380 VanDerWaalsContact O-N 3.07Å; V330-D409 HydrophobicContact CG1-CB 4.26Å; V330-Y420 VanDerWaalsContact CA-OH 3.26Å; V330-Y420 WeakPolarHBondContact CA-OH 3.42Å |
| 331 | N | 90.7 | Very high | 92.8 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -93.1 | -16.9 | -177.9 | 64.5 | -12.9 | 0 | 0 | 0 | 113.3 | L335 H413 Y420 E731 | N331-L335 WeakPolarHBondContact OD1-CD1 3.38Å; N331-H413 PolarHBondContact ND2-CD2 3Å; N331-H413 PolarHBondContact ND2-NE2 2.68Å; N331-Y420 HydrophobicContact CB-CE2 4.26Å; N331-Y420 PolarHBondContact N-OH 3.29Å; N331-E731 PolarHBondContact ND2-OE1 2.98Å |
| 332 | K | 88.6 | Confident | 92.4 | Very high | 53 Ų | 53 | 35 Ų | 35 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -127.3 | 141.5 | -178.4 | -63.4 | 179.4 | -177.2 | -177.8 | 0 | 111.3 | V330 L335 V728 E731 | V330-K332 WeakPolarHBondContact CG2-O 3.33Å; K332-L335 HydrophobicContact CB-CD1 3.96Å; K332-L335 HydrophobicContact CB-CG 4.01Å; K332-L335 WeakPolarHBondContact O-CB 3.47Å; K332-L335 PolarHBondContact O-N 2.75Å; K332-V728 PolarHBondContact NZ-O 2.78Å; K332-E731 PolarHBondContact NZ-O 3.04Å |
| 333 | I | 87.9 | Confident | 92.2 | Very high | 61 Ų | 61 | 32.4 Ų | 32.4 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.6 | -46.1 | -179.8 | -64.8 | 168.4 | 0 | 0 | 0 | 112.8 | L335 V336 D359 T379 | I333-L335 PolarHBondContact O-N 2.98Å; I333-L335 VanDerWaalsContact O-N 3.1Å; I333-V336 WeakPolarHBondContact O-CB 3.33Å; I333-V336 PolarHBondContact O-N 2.88Å; I333-D359 WeakPolarHBondContact CG2-OD2 3.25Å; I333-T379 HydrophobicContact CG1-CG2 3.91Å |
| 334 | P | 86.5 | Confident | 92.2 | Very high | 52 Ų | 52 | 27.5 Ų | 27.5 | 34% | 0.338 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.8 | -24.9 | -179.9 | -27.3 | 36.6 | 0 | 0 | 0 | 114.6 | V336 E337 Q338 L733 | P334-V336 VanDerWaalsContact C-N 3.29Å; P334-V336 PolarHBondContact O-N 3.33Å; P334-E337 PolarHBondContact O-N 3.24Å; P334-Q338 WeakPolarHBondContact O-CB 3.41Å; P334-Q338 PolarHBondContact O-N 2.86Å; P334-L733 HydrophobicContact CB-CD2 3.77Å; P334-L733 HydrophobicContact CG-CD2 4.2Å |
| 335 | L | 90.5 | Very high | 92 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.1 | -27.9 | 178.8 | -57.7 | 178.5 | 0 | 0 | 0 | 112.7 | V330 N331 K332 I333 Q338 H339 G732 | V330-L335 HydrophobicContact CB-CB 3.87Å; V330-L335 HydrophobicContact CB-CD1 4.27Å; V330-L335 HydrophobicContact CG1-CB 3.9Å; V330-L335 HydrophobicContact CG2-CB 4.07Å; N331-L335 WeakPolarHBondContact OD1-CD1 3.38Å; K332-L335 HydrophobicContact CB-CD1 3.96Å; K332-L335 HydrophobicContact CB-CG 4.01Å; K332-L335 WeakPolarHBondContact O-CB 3.47Å; K332-L335 PolarHBondContact O-N 2.75Å; I333-L335 PolarHBondContact O-N 2.98Å; I333-L335 VanDerWaalsContact O-N 3.1Å; L335-Q338 PolarHBondContact O-N 2.88Å; L335-H339 WeakPolarHBondContact O-CB 3.48Å; L335-H339 PolarHBondContact O-CD2 2.75Å; L335-H339 VanDerWaalsContact O-CD2 3.28Å; L335-H339 VanDerWaalsContact O-CG 3.31Å; L335-H339 PolarHBondContact O-N 3.19Å; L335-G732 WeakPolarHBondContact CD2-O 3.4Å |
| 336 | V | 92.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -53.3 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | V330 I333 P334 F340 R355 I377 T379 | V330-V336 HydrophobicContact CG2-CB 4.43Å; V330-V336 HydrophobicContact CG2-CG2 3.34Å; I333-V336 WeakPolarHBondContact O-CB 3.33Å; I333-V336 PolarHBondContact O-N 2.88Å; P334-V336 VanDerWaalsContact C-N 3.29Å; P334-V336 PolarHBondContact O-N 3.33Å; V336-F340 VanDerWaalsContact O-CB 3.24Å; V336-F340 WeakPolarHBondContact O-CB 3.08Å; V336-F340 PolarHBondContact O-N 2.95Å; V336-R355 HydrophobicContact CG1-CB 3.66Å; V336-R355 HydrophobicContact CG1-CG 4.45Å; V336-I377 HydrophobicContact CG1-CG2 4.28Å; V336-T379 HydrophobicContact CG2-CG2 3.84Å |
| 337 | E | 89.3 | Confident | 91.4 | Very high | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 178.8 | -176 | 58.1 | -139.2 | 0 | 0 | 111.4 | P334 F340 S341 R355 | P334-E337 PolarHBondContact O-N 3.24Å; E337-F340 PolarHBondContact O-N 3.34Å; E337-S341 WeakPolarHBondContact O-CB 3.27Å; E337-S341 PolarHBondContact O-N 3.2Å; E337-S341 PolarHBondContact OE1-OG 3.12Å; E337-R355 VanDerWaalsContact OE2-CD 3.26Å; E337-R355 WeakPolarHBondContact OE2-CD 3.4Å; E337-R355 IonicContact OE2-CZ 3.33Å; E337-R355 IonicContact OE2-NE 3.62Å; E337-R355 PolarHBondContact OE2-NE 2.9Å; E337-R355 IonicContact OE2-NH2 2.64Å |
| 338 | Q | 89.3 | Confident | 91 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.3 | -54.7 | 178.3 | -172.1 | -174.7 | -53.5 | 0 | 0 | 111.1 | P334 L335 F340 T342 D734 | P334-Q338 WeakPolarHBondContact O-CB 3.41Å; P334-Q338 PolarHBondContact O-N 2.86Å; L335-Q338 PolarHBondContact O-N 2.88Å; Q338-F340 VanDerWaalsContact C-N 3.35Å; Q338-F340 PolarHBondContact O-N 3.2Å; Q338-T342 WeakPolarHBondContact O-CB 3.38Å; Q338-T342 PolarHBondContact O-N 3.31Å; Q338-T342 PolarHBondContact O-OG1 2.88Å; Q338-D734 VanDerWaalsContact CD-CB 3.49Å; Q338-D734 HydrophobicContact CG-CB 4.34Å |
| 339 | H | 93.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -65.5 | -37.5 | -179.6 | -65.7 | -32.3 | 0 | 0 | 0 | 112.6 | T303 V330 L335 E343 F344 I377 D409 | T303-H339 WeakPolarHBondContact CG2-ND1 3.42Å; V330-H339 VanDerWaalsContact CG1-CD2 3.48Å; V330-H339 WeakPolarHBondContact CG1-CD2 3.49Å; L335-H339 WeakPolarHBondContact O-CB 3.48Å; L335-H339 PolarHBondContact O-CD2 2.75Å; L335-H339 VanDerWaalsContact O-CD2 3.28Å; L335-H339 VanDerWaalsContact O-CG 3.31Å; L335-H339 PolarHBondContact O-N 3.19Å; H339-E343 PolarHBondContact O-N 3.08Å; H339-F344 HydrophobicContact CB-CD2 4.15Å; H339-F344 WeakPolarHBondContact O-CB 3.44Å; H339-F344 PolarHBondContact O-N 3.44Å; H339-I377 HydrophobicContact CB-CD1 4.16Å; H339-I377 HydrophobicContact CB-CG2 4.2Å; H339-D409 IonicContact NE2-OD2 2.63Å |
| 340 | F | 92.9 | Very high | 90.2 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -65.7 | -44.5 | 179 | 177.4 | -99.3 | 0 | 0 | 0 | 113.6 | V336 E337 Q338 K348 V353 R355 I377 | V336-F340 VanDerWaalsContact O-CB 3.24Å; V336-F340 WeakPolarHBondContact O-CB 3.08Å; V336-F340 PolarHBondContact O-N 2.95Å; E337-F340 PolarHBondContact O-N 3.34Å; Q338-F340 VanDerWaalsContact C-N 3.35Å; Q338-F340 PolarHBondContact O-N 3.2Å; F340-K348 VanDerWaalsContact CE2-CE 3.4Å; F340-K348 VanDerWaalsContact CZ-CE 3.42Å; F340-V353 HydrophobicContact CD2-CG1 4Å; F340-V353 HydrophobicContact CE2-CB 4.5Å; F340-V353 HydrophobicContact CE2-CG1 4.16Å; F340-V353 WeakPolarHBondContact CE2-O 3.25Å; F340-R355 HydrophobicContact CB-CB 4.17Å; F340-R355 VanDerWaalsContact CD1-CD 3.49Å; F340-R355 HydrophobicContact CD1-CG 4.41Å; F340-R355 HydrophobicContact CD2-CB 3.84Å; F340-R355 HydrophobicContact CD2-CG 4.26Å; F340-R355 VanDerWaalsContact CE1-CZ 3.48Å; F340-R355 HydrophobicContact CE2-CB 4.31Å; F340-R355 HydrophobicContact CE2-CG 4.4Å; F340-R355 HydrophobicContact CG-CB 4.01Å; F340-R355 HydrophobicContact CG-CG 4.24Å; F340-I377 HydrophobicContact CB-CD1 4.01Å; F340-I377 HydrophobicContact CD2-CD1 4.48Å |
| 341 | S | 88.1 | Confident | 90.2 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -89.5 | -23.4 | -172 | -75.3 | 0 | 0 | 0 | 0 | 113.7 | E337 | E337-S341 WeakPolarHBondContact O-CB 3.27Å; E337-S341 PolarHBondContact O-N 3.2Å; E337-S341 PolarHBondContact OE1-OG 3.12Å |
| 342 | T | 85.4 | Confident | 90.5 | Very high | 75 Ų | 75 | 53 Ų | 53 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -105.7 | -58.1 | -178.5 | 63.5 | 0 | 0 | 0 | 0 | 113.1 | Q338 | Q338-T342 WeakPolarHBondContact O-CB 3.38Å; Q338-T342 PolarHBondContact O-N 3.31Å; Q338-T342 PolarHBondContact O-OG1 2.88Å |
| 343 | E | 87.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -89.3 | -50.9 | -167.4 | -63.7 | -74.5 | -177.6 | 0 | 0 | 112.5 | T303 R304 V307 H339 R345 | T303-E343 HydrophobicContact CG2-CB 3.72Å; T303-E343 HydrophobicContact CG2-CG 3.62Å; R304-E343 IonicContact NE-OE2 2.96Å; R304-E343 PolarHBondContact NE-OE2 2.81Å; R304-E343 IonicContact NH2-OE2 2.72Å; V307-E343 HydrophobicContact CG2-CB 4.01Å; H339-E343 PolarHBondContact O-N 3.08Å; E343-R345 VanDerWaalsContact C-N 3.26Å; E343-R345 PolarHBondContact O-N 3.33Å |
| 344 | F | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -82.5 | -1.5 | -178.4 | -76.1 | -98.5 | 0 | 0 | 0 | 113.4 | T303 V307 T310 V328 H339 I346 L347 V353 I375 I377 | T303-F344 HydrophobicContact CG2-CE2 4.17Å; V307-F344 HydrophobicContact CG2-CD1 4.17Å; V307-F344 HydrophobicContact CG2-CD2 3.77Å; V307-F344 HydrophobicContact CG2-CE1 4.1Å; V307-F344 HydrophobicContact CG2-CE2 3.7Å; V307-F344 HydrophobicContact CG2-CG 4.01Å; V307-F344 HydrophobicContact CG2-CZ 3.86Å; T310-F344 HydrophobicContact CG2-CE1 4.15Å; V328-F344 HydrophobicContact CG2-CE1 3.96Å; V328-F344 HydrophobicContact CG2-CE2 4.22Å; V328-F344 HydrophobicContact CG2-CZ 3.62Å; H339-F344 HydrophobicContact CB-CD2 4.15Å; H339-F344 WeakPolarHBondContact O-CB 3.44Å; H339-F344 PolarHBondContact O-N 3.44Å; F344-I346 PolarHBondContact O-N 2.58Å; F344-L347 HydrophobicContact CD1-CD1 4Å; F344-L347 HydrophobicContact CE1-CD1 4.38Å; F344-L347 PolarHBondContact O-N 3.08Å; F344-L347 VanDerWaalsContact O-N 3.13Å; F344-V353 HydrophobicContact CB-CG1 4.44Å; F344-I375 HydrophobicContact CD1-CG2 4.02Å; F344-I375 HydrophobicContact CE1-CG2 4.25Å; F344-I377 HydrophobicContact CB-CD1 3.81Å; F344-I377 HydrophobicContact CD1-CD1 4.47Å; F344-I377 HydrophobicContact CD2-CD1 3.85Å; F344-I377 HydrophobicContact CG-CD1 3.79Å |
| 345 | R | 90.8 | Very high | 91.4 | Very high | 168 Ų | 168 | 52 Ų | 52 | 63% | 0.634 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -56.3 | -37.7 | 177.1 | -179.4 | -180 | 175.4 | -167.5 | -1.4 | 112 | E343 L347 K348 | E343-R345 VanDerWaalsContact C-N 3.26Å; E343-R345 PolarHBondContact O-N 3.33Å; R345-L347 PolarHBondContact O-N 3.03Å; R345-K348 WeakPolarHBondContact O-CB 3.48Å; R345-K348 PolarHBondContact O-N 3.2Å; R345-K348 VanDerWaalsContact O-N 3.15Å |
| 346 | I | 89.8 | Confident | 91.4 | Very high | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.3 | -33 | -178.3 | -57.1 | 167.8 | 0 | 0 | 0 | 111.1 | I273 F344 K348 | I273-I346 HydrophobicContact CD1-CB 4.3Å; I273-I346 HydrophobicContact CD1-CG2 3.74Å; I273-I346 HydrophobicContact CG1-CD1 4.41Å; I273-I346 HydrophobicContact CG1-CG2 3.82Å; F344-I346 PolarHBondContact O-N 2.58Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.46Å |
| 347 | L | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -77.5 | -13.2 | -179.5 | -59.2 | -175 | 0 | 0 | 0 | 113.7 | I273 V307 T310 Q311 F344 R345 L349 T350 Y351 V353 I375 | I273-L347 HydrophobicContact CD1-CD2 3.7Å; V307-L347 HydrophobicContact CG1-CD1 3.94Å; V307-L347 HydrophobicContact CG1-CD2 4.29Å; V307-L347 HydrophobicContact CG1-CG 3.95Å; T310-L347 HydrophobicContact CG2-CD1 3.85Å; Q311-L347 HydrophobicContact CB-CD2 3.83Å; Q311-L347 HydrophobicContact CG-CD2 3.95Å; F344-L347 HydrophobicContact CD1-CD1 4Å; F344-L347 HydrophobicContact CE1-CD1 4.38Å; F344-L347 PolarHBondContact O-N 3.08Å; F344-L347 VanDerWaalsContact O-N 3.13Å; R345-L347 PolarHBondContact O-N 3.03Å; L347-L349 PolarHBondContact O-N 3.4Å; L347-T350 PolarHBondContact O-N 3.21Å; L347-T350 VanDerWaalsContact O-N 3.09Å; L347-Y351 PolarHBondContact O-N 3.17Å; L347-V353 HydrophobicContact CB-CG2 4.44Å; L347-I375 HydrophobicContact CB-CD1 4.07Å; L347-I375 HydrophobicContact CD1-CD1 3.67Å |
| 348 | K | 90.8 | Very high | 90.6 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -64.6 | -21.2 | 178.6 | -68.4 | -179.3 | 177.5 | 173.3 | 0 | 113.7 | F340 R345 I346 T350 Y351 V353 | F340-K348 VanDerWaalsContact CE2-CE 3.4Å; F340-K348 VanDerWaalsContact CZ-CE 3.42Å; R345-K348 WeakPolarHBondContact O-CB 3.48Å; R345-K348 PolarHBondContact O-N 3.2Å; R345-K348 VanDerWaalsContact O-N 3.15Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.46Å; K348-T350 PolarHBondContact O-N 3.12Å; K348-Y351 WeakPolarHBondContact CA-O 3.49Å; K348-V353 HydrophobicContact CG-CB 3.93Å; K348-V353 HydrophobicContact CG-CG2 3.81Å |
| 349 | L | 87.4 | Confident | 89.7 | Confident | 146 Ų | 146 | 53.6 Ų | 53.6 | 76% | 0.764 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -70.3 | -24.2 | 176.2 | -61.9 | 176.5 | 0 | 0 | 0 | 112.1 | L347 | L347-L349 PolarHBondContact O-N 3.4Š|
| 350 | T | 92.3 | Very high | 88.7 | Confident | 66 Ų | 66 | 54.7 Ų | 54.7 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -25 | -171.7 | -49.3 | 0 | 0 | 0 | 0 | 113.5 | R318 L347 K348 | R318-T350 PolarHBondContact NH2-O 3.06Å; R318-T350 VanDerWaalsContact NH2-O 3.07Å; L347-T350 PolarHBondContact O-N 3.21Å; L347-T350 VanDerWaalsContact O-N 3.09Å; K348-T350 PolarHBondContact O-N 3.12Å |
| 351 | Y | 95.4 | Very high | 87.5 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -135.4 | 150.3 | -170.9 | -66.1 | -72.2 | 0 | 0 | 0 | 111.4 | L314 D315 L347 K348 V353 D374 | L314-Y351 HydrophobicContact CB-CD1 4.31Å; L314-Y351 HydrophobicContact CB-CE1 3.56Å; L314-Y351 HydrophobicContact CB-CE2 4.17Å; L314-Y351 VanDerWaalsContact CB-CZ 3.48Å; L314-Y351 WeakPolarHBondContact CB-OH 3.4Å; L314-Y351 HydrophobicContact CD1-CD1 3.78Å; L314-Y351 HydrophobicContact CD1-CD2 4.18Å; L314-Y351 HydrophobicContact CD1-CE1 3.9Å; L314-Y351 HydrophobicContact CD1-CE2 4.31Å; L314-Y351 HydrophobicContact CD1-CG 3.92Å; L314-Y351 HydrophobicContact CG-CE1 4.26Å; D315-Y351 PolarHBondContact N-OH 3.27Å; D315-Y351 PolarHBondContact OD1-OH 3.16Å; L347-Y351 PolarHBondContact O-N 3.17Å; K348-Y351 WeakPolarHBondContact CA-O 3.49Å; Y351-V353 PolarHBondContact O-N 2.98Å; Y351-D374 HydrophobicContact CD1-CB 4.14Å |
| 352 | K | 95.4 | Very high | 86.2 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | trans | -78.6 | 113 | 173 | -66.6 | 179.2 | -176.9 | 177.8 | 0 | 109.6 | R372 N373 D374 I375 | K352-R372 WeakPolarHBondContact CD-O 3.48Å; K352-N373 HydrophobicContact CB-CB 4.38Å; K352-D374 PolarHBondContact N-OD2 3.41Å; K352-D374 PolarHBondContact O-N 2.68Å; K352-I375 PolarHBondContact O-N 3.01Å | ||
| 353 | V | 95.5 | Very high | 84.9 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.8 | -178.8 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | F340 F344 L347 K348 Y351 I375 I377 | F340-V353 HydrophobicContact CD2-CG1 4Å; F340-V353 HydrophobicContact CE2-CB 4.5Å; F340-V353 HydrophobicContact CE2-CG1 4.16Å; F340-V353 WeakPolarHBondContact CE2-O 3.25Å; F344-V353 HydrophobicContact CB-CG1 4.44Å; L347-V353 HydrophobicContact CB-CG2 4.44Å; K348-V353 HydrophobicContact CG-CB 3.93Å; K348-V353 HydrophobicContact CG-CG2 3.81Å; Y351-V353 PolarHBondContact O-N 2.98Å; V353-I375 WeakPolarHBondContact CA-O 3.23Å; V353-I375 HydrophobicContact CB-CB 4.43Å; V353-I375 HydrophobicContact CG1-CB 4.14Å; V353-I375 HydrophobicContact CG1-CG2 4.07Å; V353-I375 HydrophobicContact CG2-CB 4.17Å; V353-I375 HydrophobicContact CG2-CD1 4.02Å; V353-I377 HydrophobicContact CG1-CD1 4.35Å |
| 354 | E | 93.7 | Very high | 83.5 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 156.6 | 175.4 | -169 | 53.9 | -84.8 | 0 | 0 | 112 | I369 N373 I375 I376 I377 | E354-I369 HydrophobicContact CB-CG2 4.16Å; E354-I369 HydrophobicContact CG-CG2 3.89Å; E354-N373 HydrophobicContact CB-CB 4.3Å; E354-I375 PolarHBondContact N-O 3.44Å; E354-I376 WeakPolarHBondContact O-CA 3.08Å; E354-I377 PolarHBondContact O-N 3.46Å |
| 355 | R | 92.9 | Very high | 82.6 | Confident | 83 Ų | 83 | 72 Ų | 72 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.3 | 178.6 | 70.8 | -175.2 | 176.3 | -62.4 | 10.4 | 112 | V336 E337 F340 I377 | V336-R355 HydrophobicContact CG1-CB 3.66Å; V336-R355 HydrophobicContact CG1-CG 4.45Å; E337-R355 VanDerWaalsContact OE2-CD 3.26Å; E337-R355 WeakPolarHBondContact OE2-CD 3.4Å; E337-R355 IonicContact OE2-CZ 3.33Å; E337-R355 IonicContact OE2-NE 3.62Å; E337-R355 PolarHBondContact OE2-NE 2.9Å; E337-R355 IonicContact OE2-NH2 2.64Å; F340-R355 HydrophobicContact CB-CB 4.17Å; F340-R355 VanDerWaalsContact CD1-CD 3.49Å; F340-R355 HydrophobicContact CD1-CG 4.41Å; F340-R355 HydrophobicContact CD2-CB 3.84Å; F340-R355 HydrophobicContact CD2-CG 4.26Å; F340-R355 VanDerWaalsContact CE1-CZ 3.48Å; F340-R355 HydrophobicContact CE2-CB 4.31Å; F340-R355 HydrophobicContact CE2-CG 4.4Å; F340-R355 HydrophobicContact CG-CB 4.01Å; F340-R355 HydrophobicContact CG-CG 4.24Å; R355-I377 CarbonylContact C-O 3.53Å; R355-I377 VanDerWaalsContact CA-O 3.29Å; R355-I377 WeakPolarHBondContact CA-O 3.37Å |
| 356 | V | 91.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 123.4 | 178.4 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | F366 I369 I376 I377 C378 T379 I382 | V356-F366 HydrophobicContact CB-CD2 4.23Å; V356-F366 HydrophobicContact CB-CE2 4.13Å; V356-F366 HydrophobicContact CG1-CD2 4.01Å; V356-F366 HydrophobicContact CG1-CE2 4.32Å; V356-F366 HydrophobicContact CG2-CD2 4.02Å; V356-F366 HydrophobicContact CG2-CE2 4.05Å; V356-I369 HydrophobicContact CG2-CD1 3.85Å; V356-I369 HydrophobicContact CG2-CG2 4Å; V356-I376 HydrophobicContact CG2-CG2 4.47Å; V356-I377 PolarHBondContact N-O 3.28Å; V356-C378 HydrophobicContact CB-CB 4.09Å; V356-C378 WeakPolarHBondContact O-CA 3.45Å; V356-C378 WeakPolarHBondContact O-CB 3.39Å; V356-T379 PolarHBondContact O-N 2.85Å; V356-I382 HydrophobicContact CG1-CG2 4.07Å |
| 357 | S | 86.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -132.2 | 174.3 | 177 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | D359 S360 | S357-D359 PolarHBondContact O-N 3.4Å; S357-D359 VanDerWaalsContact O-N 3.12Å; S357-D359 PolarHBondContact OG-N 2.74Å; S357-S360 PolarHBondContact N-OG 3.45Å; S357-S360 WeakPolarHBondContact O-CB 3.47Å; S357-S360 PolarHBondContact O-N 2.98Å; S357-S360 VanDerWaalsContact O-N 3.13Å; S357-S360 PolarHBondContact OG-OG 3.27Å | ||
| 358 | G | 77.6 | Confident | 82.1 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K363 | G358-K363 WeakPolarHBondContact O-CE 3.34Å; G358-K363 PolarHBondContact O-NZ 3.1Å |
| 359 | D | 70.9 | Confident | 82.1 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -5.5 | -179.3 | -61.7 | -13.1 | 0 | 0 | 0 | 112.4 | I333 S357 | I333-D359 WeakPolarHBondContact CG2-OD2 3.25Å; S357-D359 PolarHBondContact O-N 3.4Å; S357-D359 VanDerWaalsContact O-N 3.12Å; S357-D359 PolarHBondContact OG-N 2.74Å |
| 360 | S | 72.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 56 Ų | 56 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | trans | -78.4 | 134.6 | -179.6 | -53.6 | 0 | 0 | 0 | 0 | 111 | S357 L362 K363 | S357-S360 PolarHBondContact N-OG 3.45Å; S357-S360 WeakPolarHBondContact O-CB 3.47Å; S357-S360 PolarHBondContact O-N 2.98Å; S357-S360 VanDerWaalsContact O-N 3.13Å; S357-S360 PolarHBondContact OG-OG 3.27Å; S360-L362 PolarHBondContact O-N 2.9Å; S360-K363 WeakPolarHBondContact O-CG 3.35Å | ||
| 361 | Q | 66.3 | Low | 82.2 | Confident | 183 Ų | 183 | 59.4 Ų | 59.4 | 86% | 0.855 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -69.6 | -18.8 | 169.9 | -66.2 | -173.1 | -1.2 | 0 | 0 | 112.4 | K363 | Q361-K363 PolarHBondContact O-N 3.09Š|
| 362 | L | 60.5 | Low | 82.1 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -67 | 9.6 | 179.6 | -64.5 | 174 | 0 | 0 | 0 | 115.1 | S360 I364 I369 | S360-L362 PolarHBondContact O-N 2.9Å; L362-I364 PolarHBondContact O-N 2.82Å; L362-I369 HydrophobicContact CB-CD1 3.91Å; L362-I369 WeakPolarHBondContact O-CD1 3.48Å |
| 363 | K | 59 | Low | 82.1 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -65.9 | -16.6 | 178.6 | -71.2 | 174.3 | -165.4 | 171 | 0 | 113.9 | G358 S360 Q361 S365 Y386 | G358-K363 WeakPolarHBondContact O-CE 3.34Å; G358-K363 PolarHBondContact O-NZ 3.1Å; S360-K363 WeakPolarHBondContact O-CG 3.35Å; Q361-K363 PolarHBondContact O-N 3.09Å; K363-S365 PolarHBondContact O-N 3.46Å; K363-Y386 PolarHBondContact O-OH 3.48Å |
| 364 | I | 59 | Low | 82.1 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 76% | 0.759 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -68 | -20.6 | -168.9 | -56.6 | 172.5 | 0 | 0 | 0 | 111.6 | L362 | L362-I364 PolarHBondContact O-N 2.82Š|
| 365 | S | 73.6 | Confident | 82.3 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -149.9 | 63.8 | 175.1 | 71.1 | 0 | 0 | 0 | 0 | 113.7 | K363 A367 N368 I369 | K363-S365 PolarHBondContact O-N 3.46Å; S365-A367 PolarHBondContact O-N 3.06Å; S365-N368 VanDerWaalsContact CB-ND2 3.32Å; S365-N368 WeakPolarHBondContact CB-ND2 3.49Å; S365-N368 PolarHBondContact O-N 2.91Å; S365-N368 VanDerWaalsContact O-N 3.08Å; S365-I369 PolarHBondContact O-N 2.89Å; S365-I369 VanDerWaalsContact O-N 3.1Å |
| 366 | F | 86.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -34.1 | 179.1 | -176 | -109.7 | 0 | 0 | 0 | 112.4 | V356 N368 I369 V370 I376 C378 I382 L383 Y386 V398 | V356-F366 HydrophobicContact CB-CD2 4.23Å; V356-F366 HydrophobicContact CB-CE2 4.13Å; V356-F366 HydrophobicContact CG1-CD2 4.01Å; V356-F366 HydrophobicContact CG1-CE2 4.32Å; V356-F366 HydrophobicContact CG2-CD2 4.02Å; V356-F366 HydrophobicContact CG2-CE2 4.05Å; F366-N368 PolarHBondContact O-N 2.83Å; F366-I369 WeakPolarHBondContact O-CB 3.49Å; F366-I369 PolarHBondContact O-N 3.22Å; F366-V370 HydrophobicContact CD1-CG2 3.97Å; F366-V370 HydrophobicContact CE1-CG2 3.6Å; F366-V370 HydrophobicContact CE2-CG2 4.25Å; F366-V370 HydrophobicContact CG-CG2 4.45Å; F366-V370 HydrophobicContact CZ-CG2 3.76Å; F366-V370 WeakPolarHBondContact O-CG2 3.35Å; F366-V370 PolarHBondContact O-N 3.13Å; F366-I376 HydrophobicContact CE2-CG2 3.97Å; F366-I376 HydrophobicContact CZ-CG2 4.31Å; F366-C378 HydrophobicContact CE2-CB 4.45Å; F366-I382 HydrophobicContact CD1-CG2 4.24Å; F366-I382 HydrophobicContact CD2-CG2 3.62Å; F366-I382 HydrophobicContact CE1-CG2 4.27Å; F366-I382 HydrophobicContact CE2-CG2 3.66Å; F366-I382 HydrophobicContact CG-CG2 3.92Å; F366-I382 HydrophobicContact CZ-CG2 4Å; F366-L383 HydrophobicContact CE1-CD1 4.05Å; F366-Y386 HydrophobicContact CB-CD1 3.98Å; F366-Y386 HydrophobicContact CB-CD2 3.65Å; F366-Y386 HydrophobicContact CB-CE1 3.65Å; F366-Y386 HydrophobicContact CB-CE2 3.29Å; F366-Y386 HydrophobicContact CB-CG 3.98Å; F366-Y386 HydrophobicContact CD1-CD1 4.17Å; F366-Y386 AromaticContact CD1-CD2 3.6Å; F366-Y386 HydrophobicContact CD1-CD2 3.6Å; F366-Y386 HydrophobicContact CD1-CE2 4.18Å; F366-Y386 AromaticContact CD1-CG 3.59Å; F366-Y386 HydrophobicContact CD1-CG 3.59Å; F366-Y386 AromaticContact CG-CD2 3.87Å; F366-Y386 HydrophobicContact CG-CD2 3.87Å; F366-Y386 AromaticContact CG-CE2 3.97Å; F366-Y386 HydrophobicContact CG-CE2 3.97Å; F366-Y386 HydrophobicContact CG-CG 4.19Å; F366-Y386 PolarHBondContact N-OH 3.46Å; F366-V398 HydrophobicContact CD1-CG2 3.97Å; F366-V398 HydrophobicContact CE1-CG2 4.24Å |
| 367 | A | 87.8 | Confident | 82.8 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S365 I369 V370 E371 E396 V398 | S365-A367 PolarHBondContact O-N 3.06Å; A367-I369 VanDerWaalsContact C-N 3.33Å; A367-I369 PolarHBondContact O-N 3Å; A367-V370 PolarHBondContact O-N 3.12Å; A367-E371 WeakPolarHBondContact O-CB 3.38Å; A367-E371 PolarHBondContact O-N 2.74Å; A367-E396 HydrophobicContact CB-CB 4.29Å; A367-E396 WeakPolarHBondContact CB-O 3.43Å; A367-V398 HydrophobicContact CB-CG2 4.25Å |
| 368 | N | 88.4 | Confident | 83.2 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 176.1 | -64.2 | -17.6 | 0 | 0 | 0 | 112 | S365 F366 E371 R372 | S365-N368 VanDerWaalsContact CB-ND2 3.32Å; S365-N368 WeakPolarHBondContact CB-ND2 3.49Å; S365-N368 PolarHBondContact O-N 2.91Å; S365-N368 VanDerWaalsContact O-N 3.08Å; F366-N368 PolarHBondContact O-N 2.83Å; N368-E371 PolarHBondContact O-N 2.82Å; N368-R372 WeakPolarHBondContact O-CB 3.35Å; N368-R372 VanDerWaalsContact O-CG 3.26Å; N368-R372 WeakPolarHBondContact O-CG 3.43Å; N368-R372 PolarHBondContact O-N 2.8Å |
| 369 | I | 90.6 | Very high | 84 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 174.8 | -65.4 | 172 | 0 | 0 | 0 | 110.1 | E354 V356 L362 S365 F366 A367 E371 R372 N373 | E354-I369 HydrophobicContact CB-CG2 4.16Å; E354-I369 HydrophobicContact CG-CG2 3.89Å; V356-I369 HydrophobicContact CG2-CD1 3.85Å; V356-I369 HydrophobicContact CG2-CG2 4Å; L362-I369 HydrophobicContact CB-CD1 3.91Å; L362-I369 WeakPolarHBondContact O-CD1 3.48Å; S365-I369 PolarHBondContact O-N 2.89Å; S365-I369 VanDerWaalsContact O-N 3.1Å; F366-I369 WeakPolarHBondContact O-CB 3.49Å; F366-I369 PolarHBondContact O-N 3.22Å; A367-I369 VanDerWaalsContact C-N 3.33Å; A367-I369 PolarHBondContact O-N 3Å; I369-E371 VanDerWaalsContact C-N 3.29Å; I369-E371 PolarHBondContact O-N 3.18Å; I369-R372 PolarHBondContact O-N 3.37Å; I369-N373 WeakPolarHBondContact O-CB 3.35Å; I369-N373 PolarHBondContact O-N 3.08Å; I369-N373 VanDerWaalsContact O-N 3.16Å; I369-N373 PolarHBondContact O-ND2 3.32Å |
| 370 | V | 92.3 | Very high | 85.2 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 109.1 | K325 F366 A367 V398 L403 | K325-V370 HydrophobicContact CD-CG1 3.74Å; K325-V370 VanDerWaalsContact CD-O 3.28Å; K325-V370 WeakPolarHBondContact CD-O 3.28Å; K325-V370 WeakPolarHBondContact CE-O 3.44Å; K325-V370 PolarHBondContact NZ-O 3.18Å; F366-V370 HydrophobicContact CD1-CG2 3.97Å; F366-V370 HydrophobicContact CE1-CG2 3.6Å; F366-V370 HydrophobicContact CE2-CG2 4.25Å; F366-V370 HydrophobicContact CG-CG2 4.45Å; F366-V370 HydrophobicContact CZ-CG2 3.76Å; F366-V370 WeakPolarHBondContact O-CG2 3.35Å; F366-V370 PolarHBondContact O-N 3.13Å; A367-V370 PolarHBondContact O-N 3.12Å; V370-V398 HydrophobicContact CB-CG2 4.41Å; V370-V398 HydrophobicContact CG1-CG1 4.26Å; V370-V398 HydrophobicContact CG2-CG2 4.14Å; V370-L403 HydrophobicContact CG1-CD2 4.1Å |
| 371 | E | 91.3 | Very high | 86.2 | Confident | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.4 | -49.6 | 179.3 | -170.3 | 178 | -165.9 | 0 | 0 | 113.1 | K325 A367 N368 I369 | K325-E371 PolarHBondContact NZ-O 3.42Å; A367-E371 WeakPolarHBondContact O-CB 3.38Å; A367-E371 PolarHBondContact O-N 2.74Å; N368-E371 PolarHBondContact O-N 2.82Å; I369-E371 VanDerWaalsContact C-N 3.29Å; I369-E371 PolarHBondContact O-N 3.18Å |
| 372 | R | 92.3 | Very high | 87.4 | Confident | 179 Ų | 179 | 46 Ų | 46 | 68% | 0.675 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -79.8 | -18 | -170.7 | -68.4 | 176 | -178 | -168.5 | 1 | 115.3 | K352 N368 I369 | K352-R372 WeakPolarHBondContact CD-O 3.48Å; N368-R372 WeakPolarHBondContact O-CB 3.35Å; N368-R372 VanDerWaalsContact O-CG 3.26Å; N368-R372 WeakPolarHBondContact O-CG 3.43Å; N368-R372 PolarHBondContact O-N 2.8Å; I369-R372 PolarHBondContact O-N 3.37Å |
| 373 | N | 94.8 | Very high | 89 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | trans | -115 | 150.4 | -173.9 | -63.2 | -77.5 | 0 | 0 | 0 | 112.5 | K325 K352 E354 I369 I376 | K325-N373 WeakPolarHBondContact CE-O 3.48Å; K352-N373 HydrophobicContact CB-CB 4.38Å; E354-N373 HydrophobicContact CB-CB 4.3Å; I369-N373 WeakPolarHBondContact O-CB 3.35Å; I369-N373 PolarHBondContact O-N 3.08Å; I369-N373 VanDerWaalsContact O-N 3.16Å; I369-N373 PolarHBondContact O-ND2 3.32Å; N373-I376 HydrophobicContact CB-CD1 4.45Å; N373-I376 HydrophobicContact CB-CG1 4.32Å | ||
| 374 | D | 96.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 38 Ų | 38 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -86.2 | -37.2 | 178.8 | -55.5 | -53.7 | 0 | 0 | 0 | 111.1 | K325 V326 Y351 K352 | K325-D374 CarbonylContact C-O 3.59Å; K325-D374 WeakPolarHBondContact CA-O 3.37Å; V326-D374 PolarHBondContact N-O 3.05Å; Y351-D374 HydrophobicContact CD1-CB 4.14Å; K352-D374 PolarHBondContact N-OD2 3.41Å; K352-D374 PolarHBondContact O-N 2.68Å |
| 375 | I | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.1 | -177.6 | -56.7 | 169 | 0 | 0 | 0 | 109.1 | T310 L314 V326 F344 L347 K352 V353 E354 I377 | T310-I375 HydrophobicContact CG2-CD1 3.63Å; T310-I375 HydrophobicContact CG2-CG1 3.99Å; L314-I375 HydrophobicContact CD1-CD1 3.74Å; L314-I375 HydrophobicContact CD1-CG1 3.66Å; V326-I375 HydrophobicContact CB-CG1 4.41Å; V326-I375 WeakPolarHBondContact O-CA 3.1Å; F344-I375 HydrophobicContact CD1-CG2 4.02Å; F344-I375 HydrophobicContact CE1-CG2 4.25Å; L347-I375 HydrophobicContact CB-CD1 4.07Å; L347-I375 HydrophobicContact CD1-CD1 3.67Å; K352-I375 PolarHBondContact O-N 3.01Å; V353-I375 WeakPolarHBondContact CA-O 3.23Å; V353-I375 HydrophobicContact CB-CB 4.43Å; V353-I375 HydrophobicContact CG1-CB 4.14Å; V353-I375 HydrophobicContact CG1-CG2 4.07Å; V353-I375 HydrophobicContact CG2-CB 4.17Å; V353-I375 HydrophobicContact CG2-CD1 4.02Å; E354-I375 PolarHBondContact N-O 3.44Å; I375-I377 HydrophobicContact CG2-CG1 4.48Å |
| 376 | I | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.6 | 178.3 | -56 | 89.9 | 0 | 0 | 0 | 109.2 | K325 V326 V327 V328 E354 V356 F366 N373 C378 | K325-I376 HydrophobicContact CG-CD1 4.18Å; V326-I376 PolarHBondContact O-N 2.9Å; V327-I376 CarbonylContact C-O 3.59Å; V327-I376 VanDerWaalsContact CA-O 3.3Å; V327-I376 WeakPolarHBondContact CA-O 3.5Å; V327-I376 HydrophobicContact CG2-CB 4.33Å; V327-I376 HydrophobicContact CG2-CD1 4.41Å; V328-I376 PolarHBondContact N-O 3.48Å; E354-I376 WeakPolarHBondContact O-CA 3.08Å; V356-I376 HydrophobicContact CG2-CG2 4.47Å; F366-I376 HydrophobicContact CE2-CG2 3.97Å; F366-I376 HydrophobicContact CZ-CG2 4.31Å; N373-I376 HydrophobicContact CB-CD1 4.45Å; N373-I376 HydrophobicContact CB-CG1 4.32Å; I376-C378 HydrophobicContact CG2-CB 4.39Å |
| 377 | I | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 116.9 | 174.6 | -53.9 | 174.1 | 0 | 0 | 0 | 107.9 | V328 V336 H339 F340 F344 V353 E354 R355 V356 I375 | V328-I377 HydrophobicContact CB-CB 4.47Å; V328-I377 HydrophobicContact CB-CG1 4.15Å; V328-I377 HydrophobicContact CB-CG2 4.33Å; V328-I377 HydrophobicContact CG2-CG1 4.25Å; V336-I377 HydrophobicContact CG1-CG2 4.28Å; H339-I377 HydrophobicContact CB-CD1 4.16Å; H339-I377 HydrophobicContact CB-CG2 4.2Å; F340-I377 HydrophobicContact CB-CD1 4.01Å; F340-I377 HydrophobicContact CD2-CD1 4.48Å; F344-I377 HydrophobicContact CB-CD1 3.81Å; F344-I377 HydrophobicContact CD1-CD1 4.47Å; F344-I377 HydrophobicContact CD2-CD1 3.85Å; F344-I377 HydrophobicContact CG-CD1 3.79Å; V353-I377 HydrophobicContact CG1-CD1 4.35Å; E354-I377 PolarHBondContact O-N 3.46Å; R355-I377 CarbonylContact C-O 3.53Å; R355-I377 VanDerWaalsContact CA-O 3.29Å; R355-I377 WeakPolarHBondContact CA-O 3.37Å; V356-I377 PolarHBondContact N-O 3.28Å; I375-I377 HydrophobicContact CG2-CG1 4.48Å |
| 378 | C | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 160 | -176.6 | 70.4 | 0 | 0 | 0 | 0 | 115.2 | V328 L329 V330 V356 F366 I376 | V328-C378 PolarHBondContact O-N 3.42Å; L329-C378 WeakPolarHBondContact CA-O 3.35Å; V330-C378 PolarHBondContact N-O 2.78Å; V356-C378 HydrophobicContact CB-CB 4.09Å; V356-C378 WeakPolarHBondContact O-CA 3.45Å; V356-C378 WeakPolarHBondContact O-CB 3.39Å; F366-C378 HydrophobicContact CE2-CB 4.45Å; I376-C378 HydrophobicContact CG2-CB 4.39Å |
| 379 | T | 94.4 | Very high | 93 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 136.1 | 169 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | V330 I333 V336 V356 Q381 I382 | V330-T379 HydrophobicContact CG2-CG2 4.33Å; V330-T379 WeakPolarHBondContact O-CA 3.05Å; I333-T379 HydrophobicContact CG1-CG2 3.91Å; V336-T379 HydrophobicContact CG2-CG2 3.84Å; V356-T379 PolarHBondContact O-N 2.85Å; T379-Q381 PolarHBondContact O-N 3.13Å; T379-I382 WeakPolarHBondContact O-CB 3.42Å; T379-I382 PolarHBondContact O-N 3.33Å; T379-I382 VanDerWaalsContact OG1-CG1 3.31Å; T379-I382 WeakPolarHBondContact OG1-CG1 3.5Å |
| 380 | A | 94.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -49.9 | -38.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V330 I382 L383 E384 V419 Y420 I423 | V330-A380 PolarHBondContact O-N 2.93Å; V330-A380 VanDerWaalsContact O-N 3.07Å; A380-I382 PolarHBondContact O-N 3.09Å; A380-L383 PolarHBondContact O-N 3.33Å; A380-E384 PolarHBondContact O-N 3.06Å; A380-E384 VanDerWaalsContact O-N 3.09Å; A380-V419 HydrophobicContact CB-CB 4.13Å; A380-V419 HydrophobicContact CB-CG1 3.72Å; A380-Y420 HydrophobicContact CB-CD1 3.61Å; A380-Y420 HydrophobicContact CB-CE1 3.45Å; A380-Y420 VanDerWaalsContact CB-CE1 3.45Å; A380-I423 HydrophobicContact CB-CD1 4.37Å |
| 381 | Q | 93.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64 | -27.9 | -177.2 | -167.8 | 60.8 | 54.5 | 0 | 0 | 112.7 | T379 E384 N385 V419 | T379-Q381 PolarHBondContact O-N 3.13Å; Q381-E384 PolarHBondContact NE2-OE2 3.12Å; Q381-E384 PolarHBondContact O-N 3.15Å; Q381-N385 PolarHBondContact NE2-OD1 3.13Å; Q381-N385 WeakPolarHBondContact O-CB 3.36Å; Q381-N385 PolarHBondContact O-N 3.43Å; Q381-N385 PolarHBondContact O-ND2 3.1Å; Q381-N385 PolarHBondContact O-OD1 2.81Å; Q381-V419 HydrophobicContact CB-CG1 4.33Å |
| 382 | I | 92.1 | Very high | 91 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -51.8 | 176.3 | -61.8 | -66.9 | 0 | 0 | 0 | 109.6 | V356 F366 T379 A380 E384 N385 Y386 | V356-I382 HydrophobicContact CG1-CG2 4.07Å; F366-I382 HydrophobicContact CD1-CG2 4.24Å; F366-I382 HydrophobicContact CD2-CG2 3.62Å; F366-I382 HydrophobicContact CE1-CG2 4.27Å; F366-I382 HydrophobicContact CE2-CG2 3.66Å; F366-I382 HydrophobicContact CG-CG2 3.92Å; F366-I382 HydrophobicContact CZ-CG2 4Å; T379-I382 WeakPolarHBondContact O-CB 3.42Å; T379-I382 PolarHBondContact O-N 3.33Å; T379-I382 VanDerWaalsContact OG1-CG1 3.31Å; T379-I382 WeakPolarHBondContact OG1-CG1 3.5Å; A380-I382 PolarHBondContact O-N 3.09Å; I382-E384 VanDerWaalsContact C-N 3.3Å; I382-E384 PolarHBondContact O-N 3.34Å; I382-N385 PolarHBondContact O-N 3.12Å; I382-Y386 HydrophobicContact CG2-CD2 4.37Å; I382-Y386 WeakPolarHBondContact O-CD2 3.42Å; I382-Y386 PolarHBondContact O-N 3.36Å |
| 383 | L | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.2 | -179.6 | 62.4 | 0 | 0 | 0 | 111.5 | V327 L329 F366 A380 Y386 L387 V398 L403 I423 | V327-L383 HydrophobicContact CG1-CD2 4.3Å; L329-L383 HydrophobicContact CD1-CD2 4.07Å; L329-L383 HydrophobicContact CD2-CB 4.05Å; L329-L383 HydrophobicContact CD2-CD2 3.81Å; L329-L383 HydrophobicContact CG-CD2 4.47Å; F366-L383 HydrophobicContact CE1-CD1 4.05Å; A380-L383 PolarHBondContact O-N 3.33Å; L383-Y386 PolarHBondContact O-N 3.35Å; L383-L387 HydrophobicContact CD1-CD1 4.23Å; L383-L387 HydrophobicContact CD1-CG 4.09Å; L383-L387 HydrophobicContact CD2-CD1 4.27Å; L383-L387 HydrophobicContact CG-CD1 3.78Å; L383-L387 HydrophobicContact CG-CG 4.14Å; L383-L387 WeakPolarHBondContact O-CB 3.47Å; L383-L387 VanDerWaalsContact O-CG 3.25Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 2.85Å; L383-V398 HydrophobicContact CD1-CG1 4.29Å; L383-L403 HydrophobicContact CD1-CD1 4.31Å; L383-L403 HydrophobicContact CD2-CD1 4.22Å; L383-I423 HydrophobicContact CB-CD1 4.44Å; L383-I423 HydrophobicContact CD2-CD1 4.34Å; L383-I423 HydrophobicContact CD2-CG2 4.41Å |
| 384 | E | 93.7 | Very high | 88.5 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 179.3 | -161.9 | -75.9 | 141.9 | 0 | 0 | 112.3 | A380 Q381 I382 Y386 L387 E388 V419 H422 I423 R426 | A380-E384 PolarHBondContact O-N 3.06Å; A380-E384 VanDerWaalsContact O-N 3.09Å; Q381-E384 PolarHBondContact NE2-OE2 3.12Å; Q381-E384 PolarHBondContact O-N 3.15Å; I382-E384 VanDerWaalsContact C-N 3.3Å; I382-E384 PolarHBondContact O-N 3.34Å; E384-Y386 VanDerWaalsContact C-N 3.31Å; E384-Y386 PolarHBondContact O-N 3Å; E384-L387 PolarHBondContact O-N 3.17Å; E384-E388 PolarHBondContact O-N 3.13Å; E384-V419 HydrophobicContact CB-CG1 3.87Å; E384-V419 HydrophobicContact CG-CG1 4.22Å; E384-H422 HydrophobicContact CG-CB 4.11Å; E384-I423 HydrophobicContact CB-CD1 4.35Å; E384-I423 HydrophobicContact CB-CG1 4.07Å; E384-I423 HydrophobicContact CG-CG1 4.23Å; E384-R426 IonicContact OE1-CZ 2.64Å; E384-R426 IonicContact OE1-NE 2.89Å; E384-R426 IonicContact OE1-NH2 3.72Å; E384-R426 PolarHBondContact OE1-NH2 3.47Å |
| 385 | N | 90.3 | Very high | 86.8 | Confident | 59 Ų | 59 | 44 Ų | 44 | 32% | 0.316 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56 | -45.1 | 176.7 | -68.5 | -6.2 | 0 | 0 | 0 | 111.6 | Q381 I382 E388 R389 | Q381-N385 PolarHBondContact NE2-OD1 3.13Å; Q381-N385 WeakPolarHBondContact O-CB 3.36Å; Q381-N385 PolarHBondContact O-N 3.43Å; Q381-N385 PolarHBondContact O-ND2 3.1Å; Q381-N385 PolarHBondContact O-OD1 2.81Å; I382-N385 PolarHBondContact O-N 3.12Å; N385-E388 WeakPolarHBondContact O-CB 3.34Å; N385-E388 PolarHBondContact O-N 3.16Å; N385-R389 WeakPolarHBondContact O-CG 3.33Å; N385-R389 PolarHBondContact O-N 3.37Å |
| 386 | Y | 90.7 | Very high | 85.6 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.7 | -26.9 | -177.7 | -81.5 | -89.8 | 0 | 0 | 0 | 113.6 | K363 F366 I382 L383 E384 E388 R389 A390 E396 V398 | K363-Y386 PolarHBondContact O-OH 3.48Å; F366-Y386 HydrophobicContact CB-CD1 3.98Å; F366-Y386 HydrophobicContact CB-CD2 3.65Å; F366-Y386 HydrophobicContact CB-CE1 3.65Å; F366-Y386 HydrophobicContact CB-CE2 3.29Å; F366-Y386 HydrophobicContact CB-CG 3.98Å; F366-Y386 HydrophobicContact CD1-CD1 4.17Å; F366-Y386 AromaticContact CD1-CD2 3.6Å; F366-Y386 HydrophobicContact CD1-CD2 3.6Å; F366-Y386 HydrophobicContact CD1-CE2 4.18Å; F366-Y386 AromaticContact CD1-CG 3.59Å; F366-Y386 HydrophobicContact CD1-CG 3.59Å; F366-Y386 AromaticContact CG-CD2 3.87Å; F366-Y386 HydrophobicContact CG-CD2 3.87Å; F366-Y386 AromaticContact CG-CE2 3.97Å; F366-Y386 HydrophobicContact CG-CE2 3.97Å; F366-Y386 HydrophobicContact CG-CG 4.19Å; F366-Y386 PolarHBondContact N-OH 3.46Å; I382-Y386 HydrophobicContact CG2-CD2 4.37Å; I382-Y386 WeakPolarHBondContact O-CD2 3.42Å; I382-Y386 PolarHBondContact O-N 3.36Å; L383-Y386 PolarHBondContact O-N 3.35Å; E384-Y386 VanDerWaalsContact C-N 3.31Å; E384-Y386 PolarHBondContact O-N 3Å; Y386-E388 VanDerWaalsContact C-N 3.33Å; Y386-R389 PolarHBondContact OH-NH1 3.1Å; Y386-A390 PolarHBondContact O-N 3.33Å; Y386-E396 WeakPolarHBondContact CD1-O 3.31Å; Y386-V398 PolarHBondContact O-N 2.89Å; Y386-V398 VanDerWaalsContact O-N 3.08Å |
| 387 | L | 91.6 | Very high | 85 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.8 | -32.2 | 167.5 | -72.8 | 170.2 | 0 | 0 | 0 | 111.8 | L383 E384 S391 V398 L400 I423 R426 | L383-L387 HydrophobicContact CD1-CD1 4.23Å; L383-L387 HydrophobicContact CD1-CG 4.09Å; L383-L387 HydrophobicContact CD2-CD1 4.27Å; L383-L387 HydrophobicContact CG-CD1 3.78Å; L383-L387 HydrophobicContact CG-CG 4.14Å; L383-L387 WeakPolarHBondContact O-CB 3.47Å; L383-L387 VanDerWaalsContact O-CG 3.25Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 2.85Å; E384-L387 PolarHBondContact O-N 3.17Å; L387-S391 PolarHBondContact O-N 2.72Å; L387-S391 PolarHBondContact O-OG 2.82Å; L387-V398 WeakPolarHBondContact CD2-O 3.34Å; L387-L400 HydrophobicContact CD1-CD2 4.02Å; L387-L400 HydrophobicContact CD2-CD2 3.82Å; L387-L400 HydrophobicContact CD2-CG 3.82Å; L387-I423 HydrophobicContact CD1-CG1 4.2Å; L387-I423 HydrophobicContact CD1-CG2 4.01Å; L387-R426 PolarHBondContact O-NH1 3.35Å |
| 388 | E | 87.7 | Confident | 84.7 | Confident | 104 Ų | 104 | 49.9 Ų | 49.9 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68 | -48.8 | 174.5 | -169.2 | 170.8 | -149.9 | 0 | 0 | 111.7 | E384 N385 Y386 A390 S391 S392 | E384-E388 PolarHBondContact O-N 3.13Å; N385-E388 WeakPolarHBondContact O-CB 3.34Å; N385-E388 PolarHBondContact O-N 3.16Å; Y386-E388 VanDerWaalsContact C-N 3.33Å; E388-A390 VanDerWaalsContact C-N 3.31Å; E388-A390 PolarHBondContact O-N 3.47Å; E388-S391 CarbonylContact O-C 3.53Å; E388-S391 WeakPolarHBondContact O-CA 3.49Å; E388-S391 VanDerWaalsContact O-CB 3.27Å; E388-S391 WeakPolarHBondContact O-CB 3.24Å; E388-S391 PolarHBondContact O-N 2.9Å; E388-S392 PolarHBondContact O-N 3.48Å |
| 389 | R | 85.1 | Confident | 84.5 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54 | -44.5 | 176 | -69.5 | -179.1 | -176.2 | 179.8 | -1.1 | 113.2 | N385 Y386 S391 S392 G393 E394 | N385-R389 WeakPolarHBondContact O-CG 3.33Å; N385-R389 PolarHBondContact O-N 3.37Å; Y386-R389 PolarHBondContact OH-NH1 3.1Å; R389-S391 PolarHBondContact O-N 2.91Å; R389-S391 VanDerWaalsContact O-N 3.12Å; R389-S392 WeakPolarHBondContact CA-OG 3.5Å; R389-S392 PolarHBondContact O-N 2.77Å; R389-S392 VanDerWaalsContact O-N 3.15Å; R389-S392 PolarHBondContact O-OG 3.23Å; R389-S392 VanDerWaalsContact O-OG 3.06Å; R389-G393 PolarHBondContact O-N 3.48Å; R389-G393 VanDerWaalsContact O-N 3.12Å; R389-E394 HydrophobicContact CB-CB 4.28Å; R389-E394 PolarHBondContact O-N 3.16Å |
| 390 | A | 81.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 56 Ų | 56 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -24.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y386 E388 V398 K399 | Y386-A390 PolarHBondContact O-N 3.33Å; E388-A390 VanDerWaalsContact C-N 3.31Å; E388-A390 PolarHBondContact O-N 3.47Å; A390-V398 VanDerWaalsContact CB-O 3.31Å; A390-V398 WeakPolarHBondContact CB-O 3.24Å; A390-K399 HydrophobicContact CB-CG 4.41Å |
| 391 | S | 76.5 | Confident | 84.4 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -91.8 | -26.4 | 178.8 | -52.1 | 0 | 0 | 0 | 0 | 113 | L387 E388 R389 R426 | L387-S391 PolarHBondContact O-N 2.72Å; L387-S391 PolarHBondContact O-OG 2.82Å; E388-S391 CarbonylContact O-C 3.53Å; E388-S391 WeakPolarHBondContact O-CA 3.49Å; E388-S391 VanDerWaalsContact O-CB 3.27Å; E388-S391 WeakPolarHBondContact O-CB 3.24Å; E388-S391 PolarHBondContact O-N 2.9Å; R389-S391 PolarHBondContact O-N 2.91Å; R389-S391 VanDerWaalsContact O-N 3.12Å; S391-R426 PolarHBondContact OG-NH1 3.48Å; S391-R426 VanDerWaalsContact OG-NH1 3.1Å |
| 392 | S | 73.9 | Confident | 84.5 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -83.8 | -16.1 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | E388 R389 E394 | E388-S392 PolarHBondContact O-N 3.48Å; R389-S392 WeakPolarHBondContact CA-OG 3.5Å; R389-S392 PolarHBondContact O-N 2.77Å; R389-S392 VanDerWaalsContact O-N 3.15Å; R389-S392 PolarHBondContact O-OG 3.23Å; R389-S392 VanDerWaalsContact O-OG 3.06Å; S392-E394 PolarHBondContact OG-OE1 3.46Å |
| 393 | G | 67.8 | Low | 84.7 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | 16.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R389 | R389-G393 PolarHBondContact O-N 3.48Å; R389-G393 VanDerWaalsContact O-N 3.12Å |
| 394 | E | 67.1 | Low | 84.9 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | trans | -75.2 | 146.9 | 171.5 | -70.5 | 162.1 | -127.2 | 0 | 0 | 111 | R389 S392 | R389-E394 HydrophobicContact CB-CB 4.28Å; R389-E394 PolarHBondContact O-N 3.16Å; S392-E394 PolarHBondContact OG-OE1 3.46Å | ||
| 395 | D | 61 | Low | 85.2 | Confident | 153 Ų | 153 | 57 Ų | 57 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 147.1 | 174 | -70.1 | -37.5 | 0 | 0 | 0 | 110.5 | ||
| 396 | E | 72.6 | Confident | 85.6 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 29.6 | -179.6 | -48.1 | -169.9 | 155.8 | 0 | 0 | 118.3 | A367 Y386 | A367-E396 HydrophobicContact CB-CB 4.29Å; A367-E396 WeakPolarHBondContact CB-O 3.43Å; Y386-E396 WeakPolarHBondContact CD1-O 3.31Å |
| 397 | G | 83.4 | Confident | 85.9 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | trans | -76.3 | 153.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 398 | V | 90.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | trans | -104.2 | 139.2 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | F366 A367 V370 L383 Y386 L387 A390 | F366-V398 HydrophobicContact CD1-CG2 3.97Å; F366-V398 HydrophobicContact CE1-CG2 4.24Å; A367-V398 HydrophobicContact CB-CG2 4.25Å; V370-V398 HydrophobicContact CB-CG2 4.41Å; V370-V398 HydrophobicContact CG1-CG1 4.26Å; V370-V398 HydrophobicContact CG2-CG2 4.14Å; L383-V398 HydrophobicContact CD1-CG1 4.29Å; Y386-V398 PolarHBondContact O-N 2.89Å; Y386-V398 VanDerWaalsContact O-N 3.08Å; L387-V398 WeakPolarHBondContact CD2-O 3.34Å; A390-V398 VanDerWaalsContact CB-O 3.31Å; A390-V398 WeakPolarHBondContact CB-O 3.24Å | ||
| 399 | K | 92.3 | Very high | 86.7 | Confident | 126 Ų | 126 | 48.9 Ų | 48.9 | 55% | 0.548 | 29% | 0.286 | S | S | . | . | trans | -106 | 150.5 | 175.4 | -63 | 170.5 | -175.7 | 165 | 0 | 110.7 | A390 S401 D402 | A390-K399 HydrophobicContact CB-CG 4.41Å; K399-S401 WeakPolarHBondContact CB-OG 3.1Å; K399-S401 PolarHBondContact O-N 3.27Å; K399-D402 WeakPolarHBondContact CA-OD2 3.39Å; K399-D402 WeakPolarHBondContact CB-OD2 3.42Å; K399-D402 PolarHBondContact N-OD2 3.03Å; K399-D402 WeakPolarHBondContact O-CB 3.32Å; K399-D402 PolarHBondContact O-N 3.46Å | ||
| 400 | L | 94.4 | Very high | 87.2 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.6 | 173.5 | -70 | 175 | 0 | 0 | 0 | 112.8 | L387 D402 L403 I406 R426 P448 | L387-L400 HydrophobicContact CD1-CD2 4.02Å; L387-L400 HydrophobicContact CD2-CD2 3.82Å; L387-L400 HydrophobicContact CD2-CG 3.82Å; L400-D402 PolarHBondContact O-N 3.1Å; L400-L403 PolarHBondContact O-N 3.49Å; L400-I406 HydrophobicContact CD2-CD1 4.15Å; L400-R426 HydrophobicContact CD1-CB 4.06Å; L400-P448 WeakPolarHBondContact O-CD 3.47Å |
| 401 | S | 93.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -67 | -17.8 | 177 | 51.8 | 0 | 0 | 0 | 0 | 114 | K399 | K399-S401 WeakPolarHBondContact CB-OG 3.1Å; K399-S401 PolarHBondContact O-N 3.27Å |
| 402 | D | 93.9 | Very high | 88.8 | Confident | 72 Ų | 72 | 39.9 Ų | 39.9 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -80 | -15.5 | -179.6 | -49.8 | -22.9 | 0 | 0 | 0 | 110.6 | K325 K399 L400 | K325-D402 WeakPolarHBondContact CD-O 3.3Å; K399-D402 WeakPolarHBondContact CA-OD2 3.39Å; K399-D402 WeakPolarHBondContact CB-OD2 3.42Å; K399-D402 PolarHBondContact N-OD2 3.03Å; K399-D402 WeakPolarHBondContact O-CB 3.32Å; K399-D402 PolarHBondContact O-N 3.46Å; L400-D402 PolarHBondContact O-N 3.1Å |
| 403 | L | 97.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | trans | -103.3 | 148.2 | -178.7 | -50.8 | -176.5 | 0 | 0 | 0 | 110.5 | K325 V327 V370 L383 L400 I406 P448 | K325-L403 HydrophobicContact CD-CD2 4.24Å; K325-L403 HydrophobicContact CG-CD2 4.02Å; V327-L403 HydrophobicContact CB-CD1 4.34Å; V327-L403 HydrophobicContact CG2-CD1 3.71Å; V327-L403 HydrophobicContact CG2-CD2 3.55Å; V327-L403 HydrophobicContact CG2-CG 4.22Å; V370-L403 HydrophobicContact CG1-CD2 4.1Å; L383-L403 HydrophobicContact CD1-CD1 4.31Å; L383-L403 HydrophobicContact CD2-CD1 4.22Å; L400-L403 PolarHBondContact O-N 3.49Å; L403-I406 HydrophobicContact CD1-CD1 4.03Å; L403-I406 HydrophobicContact CD1-CG1 4.04Å; L403-P448 HydrophobicContact CB-CB 4.2Å; L403-P448 HydrophobicContact CB-CG 4.49Å | ||
| 404 | T | 98.1 | Very high | 91 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 13% | 0.129 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -116 | -23.7 | 179.2 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | H313 K325 P448 Q449 | H313-T404 WeakPolarHBondContact NE2-CB 3.41Å; H313-T404 PolarHBondContact NE2-OG1 2.73Å; K325-T404 PolarHBondContact N-OG1 2.83Å; K325-T404 WeakPolarHBondContact O-CA 3.29Å; K325-T404 PolarHBondContact O-N 3.03Å; K325-T404 PolarHBondContact O-OG1 3.21Å; T404-P448 WeakPolarHBondContact O-CA 3.43Å; T404-Q449 PolarHBondContact O-N 2.97Å |
| 405 | L | 98.7 | Very high | 92 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 132.6 | 174.5 | 173.9 | 64.1 | 0 | 0 | 0 | 109.1 | I309 H313 K325 V326 V327 I407 Q449 L451 | I309-L405 HydrophobicContact CG2-CD2 4.35Å; H313-L405 HydrophobicContact CB-CD2 4.21Å; K325-L405 PolarHBondContact O-N 3.49Å; K325-L405 VanDerWaalsContact O-N 3.14Å; V326-L405 WeakPolarHBondContact CA-O 3.45Å; V326-L405 HydrophobicContact CB-CB 4.48Å; V326-L405 HydrophobicContact CG1-CB 4.17Å; V326-L405 HydrophobicContact CG1-CD2 3.91Å; V326-L405 HydrophobicContact CG1-CG 4.03Å; V326-L405 HydrophobicContact CG2-CB 4Å; V326-L405 HydrophobicContact CG2-CD2 4.16Å; V327-L405 PolarHBondContact N-O 3.34Å; L405-I407 HydrophobicContact CD1-CG1 4.41Å; L405-I407 HydrophobicContact CD2-CD1 4.08Å; L405-I407 HydrophobicContact CD2-CG1 4.14Å; L405-I407 HydrophobicContact CG-CD1 4.49Å; L405-I407 HydrophobicContact CG-CG1 4.02Å; L405-Q449 CarbonylContact C-O 3.54Å; L405-Q449 WeakPolarHBondContact CA-O 3.15Å; L405-Q449 HydrophobicContact CD1-CB 3.85Å; L405-Q449 HydrophobicContact CD1-CG 3.98Å; L405-L451 HydrophobicContact CD1-CB 4.32Å |
| 406 | I | 98.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.3 | 171.1 | -62.5 | 171.2 | 0 | 0 | 0 | 108.2 | V327 L329 L400 L403 I408 P448 Q449 I450 L451 | V327-I406 WeakPolarHBondContact O-CA 3.35Å; L329-I406 HydrophobicContact CD1-CG2 3.67Å; L329-I406 HydrophobicContact CG-CG2 4.12Å; L400-I406 HydrophobicContact CD2-CD1 4.15Å; L403-I406 HydrophobicContact CD1-CD1 4.03Å; L403-I406 HydrophobicContact CD1-CG1 4.04Å; I406-I408 HydrophobicContact CG2-CD1 4.37Å; I406-I408 HydrophobicContact CG2-CG1 3.96Å; I406-P448 HydrophobicContact CD1-CB 4.18Å; I406-P448 HydrophobicContact CD1-CG 3.55Å; I406-P448 HydrophobicContact CG1-CB 4.05Å; I406-P448 HydrophobicContact CG1-CG 4Å; I406-Q449 PolarHBondContact N-O 3.49Å; I406-I450 HydrophobicContact CB-CD1 3.92Å; I406-I450 HydrophobicContact CD1-CD1 4.18Å; I406-I450 HydrophobicContact CG1-CD1 4.47Å; I406-I450 WeakPolarHBondContact O-CA 3.43Å; I406-L451 PolarHBondContact O-N 3.05Å |
| 407 | I | 98.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126 | 174.9 | -56.8 | 177.7 | 0 | 0 | 0 | 107.5 | A306 T310 V326 V327 V328 L329 L405 L451 L453 | A306-I407 HydrophobicContact CB-CD1 4.29Å; A306-I407 HydrophobicContact CB-CG2 4.22Å; T310-I407 WeakPolarHBondContact OG1-CD1 3.42Å; V326-I407 HydrophobicContact CG1-CD1 4.04Å; V326-I407 HydrophobicContact CG1-CG1 4.34Å; V327-I407 PolarHBondContact O-N 2.76Å; V328-I407 CarbonylContact C-O 3.58Å; V328-I407 WeakPolarHBondContact CA-O 3.48Å; V328-I407 HydrophobicContact CG1-CB 4.4Å; V328-I407 HydrophobicContact CG1-CG2 4.36Å; V328-I407 HydrophobicContact CG2-CB 4.32Å; V328-I407 HydrophobicContact CG2-CD1 4.25Å; L329-I407 PolarHBondContact N-O 3.36Å; L405-I407 HydrophobicContact CD1-CG1 4.41Å; L405-I407 HydrophobicContact CD2-CD1 4.08Å; L405-I407 HydrophobicContact CD2-CG1 4.14Å; L405-I407 HydrophobicContact CG-CD1 4.49Å; L405-I407 HydrophobicContact CG-CG1 4.02Å; I407-L451 CarbonylContact C-O 3.49Å; I407-L451 WeakPolarHBondContact CA-O 3.04Å; I407-L451 HydrophobicContact CD1-CD2 4.29Å; I407-L451 HydrophobicContact CG1-CB 4.21Å; I407-L451 HydrophobicContact CG1-CD2 4.11Å; I407-L451 HydrophobicContact CG2-CD2 4.25Å; I407-L453 HydrophobicContact CG2-CD1 3.74Å; I407-L453 HydrophobicContact CG2-CG 4.28Å |
| 408 | I | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.1 | 179.2 | -60.7 | 172.8 | 0 | 0 | 0 | 107.9 | L329 I406 C411 Y420 M424 L451 L453 L479 | L329-I408 HydrophobicContact CD1-CG1 4.18Å; I406-I408 HydrophobicContact CG2-CD1 4.37Å; I406-I408 HydrophobicContact CG2-CG1 3.96Å; I408-C411 HydrophobicContact CB-CB 4.18Å; I408-C411 HydrophobicContact CG2-CB 3.8Å; I408-Y420 HydrophobicContact CG2-CD1 3.84Å; I408-Y420 HydrophobicContact CG2-CD2 3.9Å; I408-Y420 HydrophobicContact CG2-CE1 3.82Å; I408-Y420 HydrophobicContact CG2-CE2 3.92Å; I408-Y420 HydrophobicContact CG2-CG 3.87Å; I408-M424 HydrophobicContact CD1-CG 4.25Å; I408-M424 HydrophobicContact CD1-SD 4.04Å; I408-L451 PolarHBondContact N-O 2.95Å; I408-L453 PolarHBondContact O-N 2.93Å; I408-L479 HydrophobicContact CD1-CD2 3.52Å |
| 409 | D | 96.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 148.5 | 171.3 | -166.5 | 43.2 | 0 | 0 | 0 | 110.9 | L329 V330 H339 C411 Y420 | L329-D409 PolarHBondContact O-N 2.88Å; V330-D409 HydrophobicContact CG1-CB 4.26Å; H339-D409 IonicContact NE2-OD2 2.63Å; D409-C411 VanDerWaalsContact C-N 3.27Å; D409-C411 PolarHBondContact O-N 2.77Å; D409-Y420 PolarHBondContact O-OH 3.29Å |
| 410 | E | 95.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 49.9 | -172.5 | -61.5 | -62.7 | 170.2 | 0 | 0 | 113.1 | H412 H413 L453 E731 Q755 | E410-H412 PolarHBondContact O-N 3.44Å; E410-H412 IonicContact OE2-CE1 3.81Å; E410-H412 PolarHBondContact OE2-CE1 2.89Å; E410-H412 IonicContact OE2-ND1 2.77Å; E410-H412 PolarHBondContact OE2-ND1 2.87Å; E410-H413 PolarHBondContact O-CD2 3.04Å; E410-H413 VanDerWaalsContact O-CD2 3.28Å; E410-H413 PolarHBondContact O-N 3.2Å; E410-L453 CarbonylContact C-O 3.33Å; E410-L453 WeakPolarHBondContact CA-O 3.37Å; E410-L453 PolarHBondContact N-O 3.48Å; E410-E731 WeakPolarHBondContact CB-OE1 3.41Å; E410-E731 HydrophobicContact CG-CG 4.07Å; E410-E731 WeakPolarHBondContact CG-OE1 3.49Å; E410-Q755 PolarHBondContact OE2-NE2 3.13Å |
| 411 | C | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -64.5 | -6.1 | -169.8 | 77.4 | 0 | 0 | 0 | 0 | 115 | I408 D409 H413 T414 L453 L479 | I408-C411 HydrophobicContact CB-CB 4.18Å; I408-C411 HydrophobicContact CG2-CB 3.8Å; D409-C411 VanDerWaalsContact C-N 3.27Å; D409-C411 PolarHBondContact O-N 2.77Å; C411-H413 PolarHBondContact O-N 2.67Å; C411-T414 VanDerWaalsContact O-CB 3.26Å; C411-T414 WeakPolarHBondContact O-CB 3.35Å; C411-T414 PolarHBondContact O-N 3.3Å; C411-T414 PolarHBondContact O-OG1 3.37Å; C411-L453 PolarHBondContact N-O 3.33Å; C411-L479 HydrophobicContact CB-CD1 3.75Å; C411-L479 HydrophobicContact CB-CD2 4.5Å |
| 412 | H | 94.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -65.1 | -15.7 | 173.1 | 66.1 | -95.5 | 0 | 0 | 0 | 112.9 | E410 T414 Q415 T454 S456 E731 I751 | E410-H412 PolarHBondContact O-N 3.44Å; E410-H412 IonicContact OE2-CE1 3.81Å; E410-H412 PolarHBondContact OE2-CE1 2.89Å; E410-H412 IonicContact OE2-ND1 2.77Å; E410-H412 PolarHBondContact OE2-ND1 2.87Å; H412-T414 PolarHBondContact O-N 3.33Å; H412-Q415 PolarHBondContact O-NE2 3.01Å; H412-T454 PolarHBondContact ND1-OG1 3.46Å; H412-S456 WeakPolarHBondContact CB-O 3.15Å; H412-E731 IonicContact CE1-OE1 2.81Å; H412-E731 IonicContact NE2-OE1 3.53Å; H412-E731 IonicContact NE2-OE2 3.59Å; H412-I751 HydrophobicContact CB-CD1 4.38Å |
| 413 | H | 94.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 22 Ų | 22 | 18% | 0.181 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -76 | -0.3 | 167.6 | -67.5 | -52.4 | 0 | 0 | 0 | 113.7 | N331 E410 C411 Q415 E418 Y420 E731 | N331-H413 PolarHBondContact ND2-CD2 3Å; N331-H413 PolarHBondContact ND2-NE2 2.68Å; E410-H413 PolarHBondContact O-CD2 3.04Å; E410-H413 VanDerWaalsContact O-CD2 3.28Å; E410-H413 PolarHBondContact O-N 3.2Å; C411-H413 PolarHBondContact O-N 2.67Å; H413-Q415 PolarHBondContact O-N 3.1Å; H413-E418 WeakPolarHBondContact CA-OE2 3.47Å; H413-E418 WeakPolarHBondContact CB-OE2 3.29Å; H413-E418 IonicContact CG-OE2 3.01Å; H413-E418 IonicContact ND1-OE2 2.62Å; H413-E418 PolarHBondContact ND1-OE2 3.18Å; H413-E418 WeakPolarHBondContact O-CB 3.44Å; H413-Y420 HydrophobicContact CB-CD2 3.66Å; H413-Y420 HydrophobicContact CB-CE2 3.89Å; H413-E731 IonicContact CD2-OE1 3.91Å; H413-E731 PolarHBondContact CD2-OE1 3.02Å; H413-E731 IonicContact CE1-OE1 3.17Å; H413-E731 IonicContact CE1-OE2 3.4Å; H413-E731 VanDerWaalsContact NE2-CD 3.31Å; H413-E731 IonicContact NE2-OE1 2.7Å; H413-E731 PolarHBondContact NE2-OE1 3Å; H413-E731 IonicContact NE2-OE2 2.88Å; H413-E731 PolarHBondContact NE2-OE2 3.32Å; H413-E731 VanDerWaalsContact NE2-OE2 3.17Å |
| 414 | T | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -79.5 | 61.2 | 177 | -42.5 | 0 | 0 | 0 | 0 | 111 | C411 H412 N421 M424 N478 L479 | C411-T414 VanDerWaalsContact O-CB 3.26Å; C411-T414 WeakPolarHBondContact O-CB 3.35Å; C411-T414 PolarHBondContact O-N 3.3Å; C411-T414 PolarHBondContact O-OG1 3.37Å; H412-T414 PolarHBondContact O-N 3.33Å; T414-N421 HydrophobicContact CG2-CB 4.48Å; T414-M424 HydrophobicContact CG2-CB 4.25Å; T414-M424 HydrophobicContact CG2-CG 3.79Å; T414-N478 HydrophobicContact CG2-CB 4.04Å; T414-N478 PolarHBondContact O-ND2 3.14Å; T414-L479 HydrophobicContact CG2-CD2 3.88Å; T414-L479 HydrophobicContact CG2-CG 3.94Å | ||
| 415 | Q | 87.8 | Confident | 93.1 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 8% | 0.084 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -149.7 | 161.6 | -178.7 | 56.4 | 178.3 | -36.1 | 0 | 0 | 111.9 | H412 H413 G417 E418 H471 | H412-Q415 PolarHBondContact O-NE2 3.01Å; H413-Q415 PolarHBondContact O-N 3.1Å; Q415-G417 PolarHBondContact O-N 3.2Å; Q415-E418 WeakPolarHBondContact O-CB 3.48Å; Q415-E418 PolarHBondContact O-N 3.02Å; Q415-H471 PolarHBondContact OE1-CE1 3.22Å |
| 416 | K | 79.6 | Confident | 92.9 | Very high | 129 Ų | 129 | 24 Ų | 24 | 56% | 0.561 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -132.2 | 173.1 | -55.8 | 174.7 | -176.4 | 168.7 | 0 | 112.6 | N421 R824 | K416-N421 PolarHBondContact O-ND2 3.04Å; K416-R824 PolarHBondContact O-NH1 2.89Å |
| 417 | G | 71.7 | Confident | 92.8 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 44% | 0.443 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 26.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q415 H422 | Q415-G417 PolarHBondContact O-N 3.2Å; G417-H422 PolarHBondContact O-NE2 3.01Å |
| 418 | E | 86.4 | Confident | 92.7 | Very high | 70 Ų | 70 | 24.4 Ų | 24.4 | 33% | 0.327 | 12% | 0.124 | S | C | . | . | trans | -84.1 | 157 | 179.8 | -64.1 | 178.7 | -161.4 | 0 | 0 | 111.1 | H413 Q415 Y420 N421 H422 | H413-E418 WeakPolarHBondContact CA-OE2 3.47Å; H413-E418 WeakPolarHBondContact CB-OE2 3.29Å; H413-E418 IonicContact CG-OE2 3.01Å; H413-E418 IonicContact ND1-OE2 2.62Å; H413-E418 PolarHBondContact ND1-OE2 3.18Å; H413-E418 WeakPolarHBondContact O-CB 3.44Å; Q415-E418 WeakPolarHBondContact O-CB 3.48Å; Q415-E418 PolarHBondContact O-N 3.02Å; E418-Y420 PolarHBondContact O-N 2.82Å; E418-N421 WeakPolarHBondContact O-CB 3.44Å; E418-N421 PolarHBondContact O-N 3.07Å; E418-H422 PolarHBondContact O-N 2.91Å | ||
| 419 | V | 92.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 27.8 Ų | 27.8 | 24% | 0.242 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | -167.8 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | A380 Q381 E384 N421 H422 I423 | A380-V419 HydrophobicContact CB-CB 4.13Å; A380-V419 HydrophobicContact CB-CG1 3.72Å; Q381-V419 HydrophobicContact CB-CG1 4.33Å; E384-V419 HydrophobicContact CB-CG1 3.87Å; E384-V419 HydrophobicContact CG-CG1 4.22Å; V419-N421 PolarHBondContact O-N 2.97Å; V419-H422 WeakPolarHBondContact O-CB 3.14Å; V419-H422 PolarHBondContact O-N 2.72Å; V419-H422 VanDerWaalsContact O-N 3.12Å; V419-I423 PolarHBondContact O-N 2.93Å |
| 420 | Y | 96.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 175.4 | -64.5 | -40 | 0 | 0 | 0 | 111.9 | L329 V330 N331 A380 I408 D409 H413 E418 H422 I423 M424 | L329-Y420 HydrophobicContact CB-CD1 4.4Å; L329-Y420 HydrophobicContact CB-CE1 3.79Å; L329-Y420 PolarHBondContact O-OH 3.45Å; V330-Y420 VanDerWaalsContact CA-OH 3.26Å; V330-Y420 WeakPolarHBondContact CA-OH 3.42Å; N331-Y420 HydrophobicContact CB-CE2 4.26Å; N331-Y420 PolarHBondContact N-OH 3.29Å; A380-Y420 HydrophobicContact CB-CD1 3.61Å; A380-Y420 HydrophobicContact CB-CE1 3.45Å; A380-Y420 VanDerWaalsContact CB-CE1 3.45Å; I408-Y420 HydrophobicContact CG2-CD1 3.84Å; I408-Y420 HydrophobicContact CG2-CD2 3.9Å; I408-Y420 HydrophobicContact CG2-CE1 3.82Å; I408-Y420 HydrophobicContact CG2-CE2 3.92Å; I408-Y420 HydrophobicContact CG2-CG 3.87Å; D409-Y420 PolarHBondContact O-OH 3.29Å; H413-Y420 HydrophobicContact CB-CD2 3.66Å; H413-Y420 HydrophobicContact CB-CE2 3.89Å; E418-Y420 PolarHBondContact O-N 2.82Å; Y420-H422 VanDerWaalsContact C-N 3.33Å; Y420-H422 PolarHBondContact O-N 2.77Å; Y420-I423 PolarHBondContact O-N 2.83Å; Y420-M424 WeakPolarHBondContact O-CG 3.26Å; Y420-M424 PolarHBondContact O-N 3.09Å |
| 421 | N | 94.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 179.5 | -161.2 | 46.9 | 0 | 0 | 0 | 110.8 | T414 K416 E418 V419 I423 M424 M425 | T414-N421 HydrophobicContact CG2-CB 4.48Å; K416-N421 PolarHBondContact O-ND2 3.04Å; E418-N421 WeakPolarHBondContact O-CB 3.44Å; E418-N421 PolarHBondContact O-N 3.07Å; V419-N421 PolarHBondContact O-N 2.97Å; N421-I423 PolarHBondContact O-N 2.64Å; N421-M424 CarbonylContact O-C 3.55Å; N421-M424 PolarHBondContact O-N 3.46Å; N421-M425 WeakPolarHBondContact O-CB 3.42Å; N421-M425 WeakPolarHBondContact O-CG 3.24Å; N421-M425 PolarHBondContact O-N 3.09Å |
| 422 | H | 93.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 33 Ų | 33 | 26% | 0.264 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.6 | -64.5 | 172.5 | 0 | 0 | 0 | 112.6 | E384 G417 E418 V419 Y420 M425 R426 | E384-H422 HydrophobicContact CG-CB 4.11Å; G417-H422 PolarHBondContact O-NE2 3.01Å; E418-H422 PolarHBondContact O-N 2.91Å; V419-H422 WeakPolarHBondContact O-CB 3.14Å; V419-H422 PolarHBondContact O-N 2.72Å; V419-H422 VanDerWaalsContact O-N 3.12Å; Y420-H422 VanDerWaalsContact C-N 3.33Å; Y420-H422 PolarHBondContact O-N 2.77Å; H422-M425 PolarHBondContact O-N 3.38Å; H422-R426 PolarHBondContact O-N 3.26Å |
| 423 | I | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 175.1 | -62.9 | 168.1 | 0 | 0 | 0 | 109.8 | L329 A380 L383 E384 L387 V419 Y420 N421 M425 R426 Y427 | L329-I423 HydrophobicContact CD1-CD1 3.79Å; A380-I423 HydrophobicContact CB-CD1 4.37Å; L383-I423 HydrophobicContact CB-CD1 4.44Å; L383-I423 HydrophobicContact CD2-CD1 4.34Å; L383-I423 HydrophobicContact CD2-CG2 4.41Å; E384-I423 HydrophobicContact CB-CD1 4.35Å; E384-I423 HydrophobicContact CB-CG1 4.07Å; E384-I423 HydrophobicContact CG-CG1 4.23Å; L387-I423 HydrophobicContact CD1-CG1 4.2Å; L387-I423 HydrophobicContact CD1-CG2 4.01Å; V419-I423 PolarHBondContact O-N 2.93Å; Y420-I423 PolarHBondContact O-N 2.83Å; N421-I423 PolarHBondContact O-N 2.64Å; I423-M425 VanDerWaalsContact C-N 3.33Å; I423-M425 PolarHBondContact O-N 3.24Å; I423-R426 WeakPolarHBondContact O-CB 3.43Å; I423-R426 PolarHBondContact O-N 3.18Å; I423-R426 VanDerWaalsContact O-N 3.14Å; I423-Y427 PolarHBondContact O-N 3.16Å; I423-Y427 VanDerWaalsContact O-N 3.13Å |
| 424 | M | 97.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -32.4 | 179 | -70.6 | -45.8 | -61.6 | 0 | 0 | 113.3 | I408 T414 Y420 N421 R426 Y427 L428 I450 N478 L479 | I408-M424 HydrophobicContact CD1-CG 4.25Å; I408-M424 HydrophobicContact CD1-SD 4.04Å; T414-M424 HydrophobicContact CG2-CB 4.25Å; T414-M424 HydrophobicContact CG2-CG 3.79Å; Y420-M424 WeakPolarHBondContact O-CG 3.26Å; Y420-M424 PolarHBondContact O-N 3.09Å; N421-M424 CarbonylContact O-C 3.55Å; N421-M424 PolarHBondContact O-N 3.46Å; M424-R426 VanDerWaalsContact C-N 3.3Å; M424-R426 PolarHBondContact O-N 3.01Å; M424-Y427 HydrophobicContact CE-CD1 3.66Å; M424-Y427 HydrophobicContact CE-CE1 4.22Å; M424-Y427 HydrophobicContact CE-CG 3.9Å; M424-Y427 WeakPolarHBondContact O-CB 3.5Å; M424-Y427 PolarHBondContact O-N 2.82Å; M424-L428 WeakPolarHBondContact O-CB 3.47Å; M424-L428 VanDerWaalsContact O-CG 3.31Å; M424-L428 WeakPolarHBondContact O-CG 3.48Å; M424-L428 PolarHBondContact O-N 3.2Å; M424-I450 HydrophobicContact CE-CD1 4.01Å; M424-I450 HydrophobicContact CE-CG1 3.86Å; M424-I450 HydrophobicContact CE-CG2 4.22Å; M424-I450 HydrophobicContact SD-CD1 4.03Å; M424-I450 HydrophobicContact SD-CG1 4.45Å; M424-I450 HydrophobicContact SD-CG2 4.37Å; M424-N478 VanDerWaalsContact CB-O 3.27Å; M424-N478 WeakPolarHBondContact CB-O 3.31Å; M424-N478 WeakPolarHBondContact CE-O 3.39Å; M424-L479 HydrophobicContact CG-CD2 4.29Å |
| 425 | M | 94.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -36 | 173.7 | -72.5 | -40.7 | -62 | 0 | 0 | 111.8 | N421 H422 I423 L428 K429 A817 I818 E821 | N421-M425 WeakPolarHBondContact O-CB 3.42Å; N421-M425 WeakPolarHBondContact O-CG 3.24Å; N421-M425 PolarHBondContact O-N 3.09Å; H422-M425 PolarHBondContact O-N 3.38Å; I423-M425 VanDerWaalsContact C-N 3.33Å; I423-M425 PolarHBondContact O-N 3.24Å; M425-L428 HydrophobicContact SD-CD1 4.32Å; M425-K429 WeakPolarHBondContact O-CB 3.43Å; M425-K429 WeakPolarHBondContact O-CG 3.28Å; M425-K429 PolarHBondContact O-N 3.34Å; M425-A817 VanDerWaalsContact CE-C 3.49Å; M425-A817 HydrophobicContact CE-CB 4.16Å; M425-A817 WeakPolarHBondContact CE-O 3.37Å; M425-A817 HydrophobicContact SD-CB 4.07Å; M425-I818 HydrophobicContact CE-CB 3.99Å; M425-I818 HydrophobicContact CE-CG1 3.46Å; M425-I818 VanDerWaalsContact CE-CG1 3.46Å; M425-E821 HydrophobicContact CE-CB 4.26Å; M425-E821 HydrophobicContact CG-CG 4.46Å |
| 426 | R | 94.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 172.8 | -63.8 | 175.9 | -171.1 | -92.3 | 1.5 | 110.4 | E384 L387 S391 L400 H422 I423 M424 K429 Q430 | E384-R426 IonicContact OE1-CZ 2.64Å; E384-R426 IonicContact OE1-NE 2.89Å; E384-R426 IonicContact OE1-NH2 3.72Å; E384-R426 PolarHBondContact OE1-NH2 3.47Å; L387-R426 PolarHBondContact O-NH1 3.35Å; S391-R426 PolarHBondContact OG-NH1 3.48Å; S391-R426 VanDerWaalsContact OG-NH1 3.1Å; L400-R426 HydrophobicContact CD1-CB 4.06Å; H422-R426 PolarHBondContact O-N 3.26Å; I423-R426 WeakPolarHBondContact O-CB 3.43Å; I423-R426 PolarHBondContact O-N 3.18Å; I423-R426 VanDerWaalsContact O-N 3.14Å; M424-R426 VanDerWaalsContact C-N 3.3Å; M424-R426 PolarHBondContact O-N 3.01Å; R426-K429 PolarHBondContact O-N 3.3Å; R426-Q430 PolarHBondContact O-N 3.34Å |
| 427 | Y | 96.9 | Very high | 93 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.8 | -51.2 | 174.9 | 172.9 | -81.4 | 0 | 0 | 0 | 111.8 | N291 I423 M424 K429 Q430 K431 L447 P448 I450 D480 | N291-Y427 PolarHBondContact ND2-OH 2.91Å; N291-Y427 VanDerWaalsContact ND2-OH 3.09Å; I423-Y427 PolarHBondContact O-N 3.16Å; I423-Y427 VanDerWaalsContact O-N 3.13Å; M424-Y427 HydrophobicContact CE-CD1 3.66Å; M424-Y427 HydrophobicContact CE-CE1 4.22Å; M424-Y427 HydrophobicContact CE-CG 3.9Å; M424-Y427 WeakPolarHBondContact O-CB 3.5Å; M424-Y427 PolarHBondContact O-N 2.82Å; Y427-K429 PolarHBondContact O-N 3.19Å; Y427-Q430 CarbonylContact O-C 3.56Å; Y427-Q430 PolarHBondContact O-N 3.13Å; Y427-Q430 VanDerWaalsContact O-N 3.16Å; Y427-K431 HydrophobicContact CE1-CD 4.28Å; Y427-K431 PolarHBondContact O-N 3.31Å; Y427-L447 HydrophobicContact CD2-CB 4.45Å; Y427-L447 HydrophobicContact CD2-CD2 3.95Å; Y427-L447 HydrophobicContact CE2-CB 3.79Å; Y427-L447 HydrophobicContact CE2-CD1 4.12Å; Y427-L447 HydrophobicContact CE2-CD2 4.1Å; Y427-L447 HydrophobicContact CE2-CG 4.22Å; Y427-P448 HydrophobicContact CD2-CG 4.25Å; Y427-P448 HydrophobicContact CE2-CG 4.35Å; Y427-P448 WeakPolarHBondContact CE2-O 3.33Å; Y427-I450 HydrophobicContact CD2-CD1 4.09Å; Y427-I450 HydrophobicContact CD2-CG1 4.43Å; Y427-I450 HydrophobicContact CE2-CD1 4.03Å; Y427-I450 HydrophobicContact CE2-CG1 3.99Å; Y427-D480 HydrophobicContact CD1-CB 4.36Å; Y427-D480 HydrophobicContact CE1-CB 3.59Å; Y427-D480 VanDerWaalsContact CE1-OD2 3.28Å; Y427-D480 WeakPolarHBondContact CE1-OD2 3.39Å; Y427-D480 PolarHBondContact OH-OD2 3.26Å |
| 428 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | -178.8 | -68.8 | 177.5 | 0 | 0 | 0 | 111.9 | M424 M425 Q430 K431 H432 D480 Q814 I818 | M424-L428 WeakPolarHBondContact O-CB 3.47Å; M424-L428 VanDerWaalsContact O-CG 3.31Å; M424-L428 WeakPolarHBondContact O-CG 3.48Å; M424-L428 PolarHBondContact O-N 3.2Å; M425-L428 HydrophobicContact SD-CD1 4.32Å; L428-Q430 VanDerWaalsContact C-N 3.28Å; L428-Q430 PolarHBondContact O-N 3.41Å; L428-K431 WeakPolarHBondContact O-CB 3.43Å; L428-K431 PolarHBondContact O-N 3.05Å; L428-H432 PolarHBondContact O-CD2 3.5Å; L428-H432 VanDerWaalsContact O-CD2 3.24Å; L428-H432 PolarHBondContact O-N 2.9Å; L428-D480 HydrophobicContact CD2-CB 4.06Å; L428-Q814 HydrophobicContact CD1-CB 4.48Å; L428-Q814 HydrophobicContact CD1-CG 4.06Å; L428-Q814 HydrophobicContact CD2-CG 3.84Å; L428-I818 HydrophobicContact CB-CD1 4.27Å |
| 429 | K | 94.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 51 Ų | 51 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.7 | -44 | 173.8 | -76.6 | 170.9 | -175.3 | 175.3 | 0 | 110.9 | M425 R426 Y427 K433 I818 | M425-K429 WeakPolarHBondContact O-CB 3.43Å; M425-K429 WeakPolarHBondContact O-CG 3.28Å; M425-K429 PolarHBondContact O-N 3.34Å; R426-K429 PolarHBondContact O-N 3.3Å; Y427-K429 PolarHBondContact O-N 3.19Å; K429-K433 WeakPolarHBondContact O-CB 3.25Å; K429-K433 PolarHBondContact O-N 3.42Å; K429-I818 HydrophobicContact CG-CG1 4.44Å; K429-I818 HydrophobicContact CG-CG2 4.21Å |
| 430 | Q | 95.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.9 | -39.7 | 176.9 | -173.6 | 57.9 | 45.3 | 0 | 0 | 112.3 | R426 Y427 L428 H432 K433 N434 V445 L447 | R426-Q430 PolarHBondContact O-N 3.34Å; Y427-Q430 CarbonylContact O-C 3.56Å; Y427-Q430 PolarHBondContact O-N 3.13Å; Y427-Q430 VanDerWaalsContact O-N 3.16Å; L428-Q430 VanDerWaalsContact C-N 3.28Å; L428-Q430 PolarHBondContact O-N 3.41Å; Q430-H432 PolarHBondContact O-N 2.92Å; Q430-K433 CarbonylContact O-C 3.59Å; Q430-K433 WeakPolarHBondContact O-CB 3.43Å; Q430-K433 PolarHBondContact O-N 3.33Å; Q430-K433 VanDerWaalsContact O-N 3.14Å; Q430-N434 PolarHBondContact NE2-OD1 3.23Å; Q430-N434 PolarHBondContact O-N 2.81Å; Q430-V445 HydrophobicContact CG-CB 4.46Å; Q430-L447 HydrophobicContact CB-CD2 4.08Å; Q430-L447 HydrophobicContact CG-CD2 3.83Å |
| 431 | K | 95.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 173.6 | -180 | 175.9 | -179.8 | 167.4 | 0 | 112.1 | Y427 L428 K433 N434 K435 L447 D480 | Y427-K431 HydrophobicContact CE1-CD 4.28Å; Y427-K431 PolarHBondContact O-N 3.31Å; L428-K431 WeakPolarHBondContact O-CB 3.43Å; L428-K431 PolarHBondContact O-N 3.05Å; K431-K433 VanDerWaalsContact C-N 3.34Å; K431-N434 WeakPolarHBondContact O-CB 3.43Å; K431-N434 PolarHBondContact O-N 3.25Å; K431-K435 PolarHBondContact O-N 3.4Å; K431-L447 HydrophobicContact CB-CD1 3.76Å; K431-L447 HydrophobicContact CG-CD1 4.35Å; K431-D480 WeakPolarHBondContact CD-OD2 3.06Å; K431-D480 IonicContact NZ-OD1 3.51Å; K431-D480 PolarHBondContact NZ-OD1 3.44Å; K431-D480 IonicContact NZ-OD2 2.65Å; K431-D480 PolarHBondContact NZ-OD2 3.41Å |
| 432 | H | 93.1 | Very high | 94.1 | Very high | 37 Ų | 37 | 67.7 Ų | 67.7 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -32 | 176.8 | -77.2 | -83.1 | 0 | 0 | 0 | 112.6 | L428 Q430 K435 K436 | L428-H432 PolarHBondContact O-CD2 3.5Å; L428-H432 VanDerWaalsContact O-CD2 3.24Å; L428-H432 PolarHBondContact O-N 2.9Å; Q430-H432 PolarHBondContact O-N 2.92Å; H432-K435 PolarHBondContact O-N 2.93Å; H432-K436 PolarHBondContact O-N 3.04Å |
| 433 | K | 93.4 | Very high | 94 | Very high | 118 Ų | 118 | 74.1 Ų | 74.1 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 171.4 | -171.4 | 178.9 | 177.8 | -176 | 0 | 111.3 | K429 Q430 K431 K435 K436 L437 | K429-K433 WeakPolarHBondContact O-CB 3.25Å; K429-K433 PolarHBondContact O-N 3.42Å; Q430-K433 CarbonylContact O-C 3.59Å; Q430-K433 WeakPolarHBondContact O-CB 3.43Å; Q430-K433 PolarHBondContact O-N 3.33Å; Q430-K433 VanDerWaalsContact O-N 3.14Å; K431-K433 VanDerWaalsContact C-N 3.34Å; K433-K435 VanDerWaalsContact C-N 3.29Å; K433-K435 PolarHBondContact O-N 3.1Å; K433-K436 WeakPolarHBondContact O-CA 3.41Å; K433-K436 WeakPolarHBondContact O-CB 3.4Å; K433-K436 PolarHBondContact O-N 3.14Å; K433-L437 HydrophobicContact CG-CD1 4.45Å; K433-L437 HydrophobicContact CG-CG 4.48Å; K433-L437 WeakPolarHBondContact O-CG 3.43Å; K433-L437 PolarHBondContact O-N 2.92Å |
| 434 | N | 95.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 76.6 Ų | 76.6 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 175.8 | -74.8 | -10.3 | 0 | 0 | 0 | 112.3 | Q430 K431 K436 L437 L438 P444 V445 | Q430-N434 PolarHBondContact NE2-OD1 3.23Å; Q430-N434 PolarHBondContact O-N 2.81Å; K431-N434 WeakPolarHBondContact O-CB 3.43Å; K431-N434 PolarHBondContact O-N 3.25Å; N434-K436 VanDerWaalsContact C-N 3.25Å; N434-K436 PolarHBondContact O-N 2.82Å; N434-L437 PolarHBondContact O-N 3.32Å; N434-L438 WeakPolarHBondContact O-CG 3.43Å; N434-L438 PolarHBondContact O-N 2.94Å; N434-P444 HydrophobicContact CB-CB 4.11Å; N434-V445 PolarHBondContact ND2-O 2.87Å; N434-V445 PolarHBondContact OD1-N 2.93Å |
| 435 | K | 91.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 79.1 Ų | 79.1 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.6 | -35.3 | 173.4 | -65.9 | -175.4 | -178.9 | 179.7 | 0 | 112.5 | K431 H432 K433 K439 | K431-K435 PolarHBondContact O-N 3.4Å; H432-K435 PolarHBondContact O-N 2.93Å; K433-K435 VanDerWaalsContact C-N 3.29Å; K433-K435 PolarHBondContact O-N 3.1Å; K435-K439 WeakPolarHBondContact O-CG 3.39Å; K435-K439 PolarHBondContact O-N 2.76Å |
| 436 | K | 91.1 | Very high | 93.7 | Very high | 139 Ų | 139 | 83.2 Ų | 83.2 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -73.7 | -45 | 175.1 | -63.1 | -176.8 | 178.8 | -172.2 | 0 | 111.5 | H432 K433 N434 L438 K439 E440 | H432-K436 PolarHBondContact O-N 3.04Å; K433-K436 WeakPolarHBondContact O-CA 3.41Å; K433-K436 WeakPolarHBondContact O-CB 3.4Å; K433-K436 PolarHBondContact O-N 3.14Å; N434-K436 VanDerWaalsContact C-N 3.25Å; N434-K436 PolarHBondContact O-N 2.82Å; K436-L438 VanDerWaalsContact C-N 3.28Å; K436-L438 PolarHBondContact O-N 3.46Å; K436-K439 WeakPolarHBondContact O-CB 3.45Å; K436-K439 PolarHBondContact O-N 2.75Å; K436-E440 WeakPolarHBondContact O-CG 3.39Å; K436-E440 PolarHBondContact O-N 3.25Å |
| 437 | L | 92.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 82.8 Ų | 82.8 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.2 | -43.7 | 177 | -68 | 175.2 | 0 | 0 | 0 | 111.6 | K433 N434 K439 E440 Q441 K442 V445 | K433-L437 HydrophobicContact CG-CD1 4.45Å; K433-L437 HydrophobicContact CG-CG 4.48Å; K433-L437 WeakPolarHBondContact O-CG 3.43Å; K433-L437 PolarHBondContact O-N 2.92Å; N434-L437 PolarHBondContact O-N 3.32Å; L437-K439 VanDerWaalsContact C-N 3.35Å; L437-K439 PolarHBondContact O-N 2.98Å; L437-E440 CarbonylContact O-C 3.46Å; L437-E440 WeakPolarHBondContact O-CA 3.46Å; L437-E440 PolarHBondContact O-N 3.46Å; L437-E440 VanDerWaalsContact O-N 3.1Å; L437-Q441 PolarHBondContact O-N 3.05Å; L437-Q441 VanDerWaalsContact O-N 3.09Å; L437-K442 CarbonylContact C-O 3.6Å; L437-K442 HydrophobicContact CB-CB 4.06Å; L437-K442 HydrophobicContact CD2-CB 3.92Å; L437-K442 HydrophobicContact CD2-CD 3.72Å; L437-K442 HydrophobicContact CD2-CG 4.48Å; L437-K442 PolarHBondContact O-N 3.44Å; L437-V445 HydrophobicContact CD1-CG2 4.49Å |
| 438 | L | 92.1 | Very high | 93.9 | Very high | 106 Ų | 106 | 82.3 Ų | 82.3 | 56% | 0.555 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 175.6 | -72.8 | 169.6 | 0 | 0 | 0 | 112.7 | N434 K436 E440 Q441 P444 | N434-L438 WeakPolarHBondContact O-CG 3.43Å; N434-L438 PolarHBondContact O-N 2.94Å; K436-L438 VanDerWaalsContact C-N 3.28Å; K436-L438 PolarHBondContact O-N 3.46Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 2.97Å; L438-Q441 PolarHBondContact O-N 2.83Å; L438-Q441 VanDerWaalsContact O-N 3.13Å; L438-P444 HydrophobicContact CD2-CB 4.41Å; L438-P444 HydrophobicContact CD2-CG 4Å; L438-P444 HydrophobicContact CG-CB 4.42Å |
| 439 | K | 92.9 | Very high | 94 | Very high | 188 Ų | 188 | 83.1 Ų | 83.1 | 82% | 0.817 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 174.4 | -70.4 | 179.8 | 179.1 | -168.9 | 0 | 112.4 | K435 K436 L437 Q441 | K435-K439 WeakPolarHBondContact O-CG 3.39Å; K435-K439 PolarHBondContact O-N 2.76Å; K436-K439 WeakPolarHBondContact O-CB 3.45Å; K436-K439 PolarHBondContact O-N 2.75Å; L437-K439 VanDerWaalsContact C-N 3.35Å; L437-K439 PolarHBondContact O-N 2.98Å; K439-Q441 PolarHBondContact O-N 3.02Å |
| 440 | E | 93.3 | Very high | 94.2 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.5 | 174.4 | -65.8 | 172.5 | -156.3 | 0 | 0 | 112.9 | K436 L437 L438 K442 | K436-E440 WeakPolarHBondContact O-CG 3.39Å; K436-E440 PolarHBondContact O-N 3.25Å; L437-E440 CarbonylContact O-C 3.46Å; L437-E440 WeakPolarHBondContact O-CA 3.46Å; L437-E440 PolarHBondContact O-N 3.46Å; L437-E440 VanDerWaalsContact O-N 3.1Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 2.97Å; E440-K442 HydrophobicContact CB-CD 4.22Å; E440-K442 HydrophobicContact CB-CG 4.31Å; E440-K442 PolarHBondContact O-N 3Å; E440-K442 VanDerWaalsContact O-N 3.16Å; E440-K442 WeakPolarHBondContact OE2-CE 3.27Å; E440-K442 IonicContact OE2-NZ 3.44Å; E440-K442 PolarHBondContact OE2-NZ 3.2Å |
| 441 | Q | 92.3 | Very high | 94.3 | Very high | 188 Ų | 188 | 78 Ų | 78 | 88% | 0.879 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 26.6 | -175.9 | -56.5 | -179.5 | 13.4 | 0 | 0 | 114.5 | L437 L438 K439 | L437-Q441 PolarHBondContact O-N 3.05Å; L437-Q441 VanDerWaalsContact O-N 3.09Å; L438-Q441 PolarHBondContact O-N 2.83Å; L438-Q441 VanDerWaalsContact O-N 3.13Å; K439-Q441 PolarHBondContact O-N 3.02Å |
| 442 | K | 93 | Very high | 94.5 | Very high | 114 Ų | 114 | 75.4 Ų | 75.4 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 146.6 | 174.8 | -68.6 | 173.4 | -175.6 | 161.4 | 0 | 110.7 | L437 E440 | L437-K442 CarbonylContact C-O 3.6Å; L437-K442 HydrophobicContact CB-CB 4.06Å; L437-K442 HydrophobicContact CD2-CB 3.92Å; L437-K442 HydrophobicContact CD2-CD 3.72Å; L437-K442 HydrophobicContact CD2-CG 4.48Å; L437-K442 PolarHBondContact O-N 3.44Å; E440-K442 HydrophobicContact CB-CD 4.22Å; E440-K442 HydrophobicContact CB-CG 4.31Å; E440-K442 PolarHBondContact O-N 3Å; E440-K442 VanDerWaalsContact O-N 3.16Å; E440-K442 WeakPolarHBondContact OE2-CE 3.27Å; E440-K442 IonicContact OE2-NZ 3.44Å; E440-K442 PolarHBondContact OE2-NZ 3.2Å |
| 443 | K | 91.3 | Very high | 94.7 | Very high | 191 Ų | 191 | 73.8 Ų | 73.8 | 83% | 0.83 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 125.2 | 177.1 | -170.1 | 175.7 | -179.2 | 178.5 | 0 | 110.2 | ||
| 444 | P | 93.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 68.1 Ų | 68.1 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -69 | 149.9 | 176.7 | 29.8 | -35.3 | 0 | 0 | 0 | 110.6 | N434 L438 | N434-P444 HydrophobicContact CB-CB 4.11Å; L438-P444 HydrophobicContact CD2-CB 4.41Å; L438-P444 HydrophobicContact CD2-CG 4Å; L438-P444 HydrophobicContact CG-CB 4.42Å |
| 445 | V | 94.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 67.8 Ų | 67.8 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 130.8 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | Q430 N434 L437 | Q430-V445 HydrophobicContact CG-CB 4.46Å; N434-V445 PolarHBondContact ND2-O 2.87Å; N434-V445 PolarHBondContact OD1-N 2.93Å; L437-V445 HydrophobicContact CD1-CG2 4.49Å |
| 446 | P | 94.5 | Very high | 94.7 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 143.9 | 175.8 | -24.3 | 34.1 | 0 | 0 | 0 | 112 | ||
| 447 | L | 97.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | trans | -122.9 | 143.6 | 175.4 | -74.2 | 176.1 | 0 | 0 | 0 | 109.6 | Y427 Q430 K431 | Y427-L447 HydrophobicContact CD2-CB 4.45Å; Y427-L447 HydrophobicContact CD2-CD2 3.95Å; Y427-L447 HydrophobicContact CE2-CB 3.79Å; Y427-L447 HydrophobicContact CE2-CD1 4.12Å; Y427-L447 HydrophobicContact CE2-CD2 4.1Å; Y427-L447 HydrophobicContact CE2-CG 4.22Å; Q430-L447 HydrophobicContact CB-CD2 4.08Å; Q430-L447 HydrophobicContact CG-CD2 3.83Å; K431-L447 HydrophobicContact CB-CD1 3.76Å; K431-L447 HydrophobicContact CG-CD1 4.35Å | ||
| 448 | P | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | trans | -70.8 | 150.2 | 176.1 | 27.8 | -32.2 | 0 | 0 | 0 | 110.9 | L400 L403 T404 I406 Y427 I450 | L400-P448 WeakPolarHBondContact O-CD 3.47Å; L403-P448 HydrophobicContact CB-CB 4.2Å; L403-P448 HydrophobicContact CB-CG 4.49Å; T404-P448 WeakPolarHBondContact O-CA 3.43Å; I406-P448 HydrophobicContact CD1-CB 4.18Å; I406-P448 HydrophobicContact CD1-CG 3.55Å; I406-P448 HydrophobicContact CG1-CB 4.05Å; I406-P448 HydrophobicContact CG1-CG 4Å; Y427-P448 HydrophobicContact CD2-CG 4.25Å; Y427-P448 HydrophobicContact CE2-CG 4.35Å; Y427-P448 WeakPolarHBondContact CE2-O 3.33Å; P448-I450 HydrophobicContact CG-CD1 4.41Å | ||
| 449 | Q | 98.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 148.3 | 163.4 | -174.3 | -177.6 | 5.8 | 0 | 0 | 109.8 | A286 G289 E290 N291 T404 L405 I406 | A286-Q449 PolarHBondContact O-NE2 2.94Å; G289-Q449 VanDerWaalsContact C-NE2 3.35Å; E290-Q449 PolarHBondContact O-NE2 2.69Å; N291-Q449 WeakPolarHBondContact OD1-CA 3.49Å; T404-Q449 PolarHBondContact O-N 2.97Å; L405-Q449 CarbonylContact C-O 3.54Å; L405-Q449 WeakPolarHBondContact CA-O 3.15Å; L405-Q449 HydrophobicContact CD1-CB 3.85Å; L405-Q449 HydrophobicContact CD1-CG 3.98Å; I406-Q449 PolarHBondContact N-O 3.49Å |
| 450 | I | 98.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.6 | 180 | -52.4 | -61.6 | 0 | 0 | 0 | 110.4 | N291 V292 I406 M424 Y427 P448 L479 | N291-I450 VanDerWaalsContact CA-O 3.24Å; N291-I450 WeakPolarHBondContact CA-O 3.41Å; N291-I450 HydrophobicContact CB-CB 4.3Å; N291-I450 PolarHBondContact OD1-N 2.96Å; V292-I450 PolarHBondContact N-O 2.88Å; V292-I450 VanDerWaalsContact N-O 3.13Å; I406-I450 HydrophobicContact CB-CD1 3.92Å; I406-I450 HydrophobicContact CD1-CD1 4.18Å; I406-I450 HydrophobicContact CG1-CD1 4.47Å; I406-I450 WeakPolarHBondContact O-CA 3.43Å; M424-I450 HydrophobicContact CE-CD1 4.01Å; M424-I450 HydrophobicContact CE-CG1 3.86Å; M424-I450 HydrophobicContact CE-CG2 4.22Å; M424-I450 HydrophobicContact SD-CD1 4.03Å; M424-I450 HydrophobicContact SD-CG1 4.45Å; M424-I450 HydrophobicContact SD-CG2 4.37Å; Y427-I450 HydrophobicContact CD2-CD1 4.09Å; Y427-I450 HydrophobicContact CD2-CG1 4.43Å; Y427-I450 HydrophobicContact CE2-CD1 4.03Å; Y427-I450 HydrophobicContact CE2-CG1 3.99Å; P448-I450 HydrophobicContact CG-CD1 4.41Å; I450-L479 HydrophobicContact CG2-CD2 4.13Å; I450-L479 WeakPolarHBondContact CG2-O 3.28Å |
| 451 | L | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.7 | 172.5 | 177.5 | 63.8 | 0 | 0 | 0 | 109.8 | A286 V292 I294 I309 L405 I406 I407 I408 L453 | A286-L451 HydrophobicContact CB-CD1 4.34Å; V292-L451 HydrophobicContact CG2-CD1 3.7Å; I294-L451 HydrophobicContact CD1-CD1 3.77Å; I294-L451 HydrophobicContact CG1-CD1 3.97Å; I309-L451 HydrophobicContact CB-CD2 4.4Å; I309-L451 HydrophobicContact CD1-CD1 4.22Å; I309-L451 HydrophobicContact CD1-CD2 3.66Å; I309-L451 HydrophobicContact CG2-CD2 4.27Å; L405-L451 HydrophobicContact CD1-CB 4.32Å; I406-L451 PolarHBondContact O-N 3.05Å; I407-L451 CarbonylContact C-O 3.49Å; I407-L451 WeakPolarHBondContact CA-O 3.04Å; I407-L451 HydrophobicContact CD1-CD2 4.29Å; I407-L451 HydrophobicContact CG1-CB 4.21Å; I407-L451 HydrophobicContact CG1-CD2 4.11Å; I407-L451 HydrophobicContact CG2-CD2 4.25Å; I408-L451 PolarHBondContact N-O 2.95Å; L451-L453 HydrophobicContact CD1-CD2 4.34Å; L451-L453 HydrophobicContact CD2-CD2 4.22Å; L451-L453 HydrophobicContact CG-CD2 4.1Å; L451-L453 HydrophobicContact CG-CG 4.49Å |
| 452 | G | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V292 I293 I294 | V292-G452 PolarHBondContact O-N 3.41Å; I293-G452 CarbonylContact C-O 3.47Å; I293-G452 WeakPolarHBondContact CA-O 3.49Å; I294-G452 PolarHBondContact N-O 2.9Å |
| 453 | L | 97.7 | Very high | 95 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.5 | 174.5 | -54.9 | 172.1 | 0 | 0 | 0 | 109.4 | I294 A306 I407 I408 E410 C411 L451 | I294-L453 HydrophobicContact CB-CD2 4.05Å; I294-L453 HydrophobicContact CD1-CD2 4.43Å; A306-L453 HydrophobicContact CB-CD1 3.63Å; I407-L453 HydrophobicContact CG2-CD1 3.74Å; I407-L453 HydrophobicContact CG2-CG 4.28Å; I408-L453 PolarHBondContact O-N 2.93Å; E410-L453 CarbonylContact C-O 3.33Å; E410-L453 WeakPolarHBondContact CA-O 3.37Å; E410-L453 PolarHBondContact N-O 3.48Å; C411-L453 PolarHBondContact N-O 3.33Å; L451-L453 HydrophobicContact CD1-CD2 4.34Å; L451-L453 HydrophobicContact CD2-CD2 4.22Å; L451-L453 HydrophobicContact CG-CD2 4.1Å; L451-L453 HydrophobicContact CG-CG 4.49Å |
| 454 | T | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.6 | 173 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | I293 I294 C295 L296 K302 H412 S456 | I293-T454 HydrophobicContact CG2-CG2 4.27Å; I294-T454 PolarHBondContact O-N 3.24Å; C295-T454 WeakPolarHBondContact CA-O 3.35Å; C295-T454 HydrophobicContact CB-CG2 4.37Å; L296-T454 PolarHBondContact N-O 3.4Å; K302-T454 WeakPolarHBondContact CD-O 3.33Å; H412-T454 PolarHBondContact ND1-OG1 3.46Å; T454-S456 PolarHBondContact OG1-N 2.79Å; T454-S456 VanDerWaalsContact OG1-N 3.12Å; T454-S456 PolarHBondContact OG1-O 3.19Å |
| 455 | A | 92.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73.8 | -32.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L296 Q755 | L296-A455 VanDerWaalsContact O-CA 3.31Å; L296-A455 WeakPolarHBondContact O-CA 3.43Å; A455-Q755 HydrophobicContact CB-CG 4.26Å |
| 456 | S | 93.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -159.2 | 130.8 | -175.2 | 172.8 | 0 | 0 | 0 | 0 | 109.5 | H412 T454 G458 M791 | H412-S456 WeakPolarHBondContact CB-O 3.15Å; T454-S456 PolarHBondContact OG1-N 2.79Å; T454-S456 VanDerWaalsContact OG1-N 3.12Å; T454-S456 PolarHBondContact OG1-O 3.19Å; S456-G458 PolarHBondContact OG-N 3.39Å; S456-M791 PolarHBondContact OG-SD 3.44Å | ||
| 457 | P | 93.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | -73.6 | -17.8 | 171 | 30.7 | -35.6 | 0 | 0 | 0 | 112.6 | I472 I475 I484 M791 I795 | P457-I472 HydrophobicContact CG-CD1 4.5Å; P457-I472 HydrophobicContact CG-CG1 4.3Å; P457-I475 HydrophobicContact CB-CD1 4.21Å; P457-I475 WeakPolarHBondContact O-CD1 3.49Å; P457-I484 HydrophobicContact CG-CD1 4.35Å; P457-M791 HydrophobicContact CG-CG 4.29Å; P457-M791 HydrophobicContact CG-SD 4.01Å; P457-I795 HydrophobicContact CG-CD1 4.01Å | ||
| 458 | G | 94.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 71.7 | -172 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | S456 H471 E750 | S456-G458 PolarHBondContact OG-N 3.39Å; G458-H471 PolarHBondContact O-CD2 2.81Å; G458-E750 WeakPolarHBondContact CA-OE1 3.29Å | ||
| 459 | V | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | trans | -126.2 | 5.3 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 113.4 | G461 A462 A468 H471 E750 R787 M791 | V459-G461 PolarHBondContact O-N 2.77Å; V459-A462 HydrophobicContact CB-CB 4.2Å; V459-A462 HydrophobicContact CG2-CB 4.36Å; V459-A462 WeakPolarHBondContact O-CB 3.44Å; V459-A462 PolarHBondContact O-N 3.29Å; V459-A468 HydrophobicContact CB-CB 3.92Å; V459-A468 HydrophobicContact CG1-CB 3.84Å; V459-H471 VanDerWaalsContact C-CG 3.47Å; V459-H471 VanDerWaalsContact CA-CD2 3.48Å; V459-H471 WeakPolarHBondContact CA-CD2 3.06Å; V459-E750 HydrophobicContact CG2-CG 4.44Å; V459-E750 PolarHBondContact N-OE1 3.12Å; V459-R787 WeakPolarHBondContact CG1-O 3.49Å; V459-R787 HydrophobicContact CG2-CB 3.74Å; V459-R787 HydrophobicContact CG2-CG 3.69Å; V459-M791 HydrophobicContact CG1-CB 3.57Å; V459-M791 HydrophobicContact CG1-CG 4.19Å | ||
| 460 | G | 91.5 | Very high | 95.4 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 54% | 0.536 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 29 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A462 H471 | G460-A462 VanDerWaalsContact C-N 3.29Å; G460-A462 PolarHBondContact O-N 3.36Å; G460-H471 WeakPolarHBondContact CA-CE1 3.39Å; G460-H471 WeakPolarHBondContact CA-ND1 3.44Å; G460-H471 PolarHBondContact N-CD2 3.26Å; G460-H471 VanDerWaalsContact N-CD2 3.31Å; G460-H471 PolarHBondContact N-CE1 2.76Å; G460-H471 PolarHBondContact N-NE2 2.86Å; G460-H471 VanDerWaalsContact N-NE2 3.19Å |
| 461 | G | 90.5 | Very high | 95.3 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 12.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V459 R787 | V459-G461 PolarHBondContact O-N 2.77Å; G461-R787 PolarHBondContact O-NH2 3.25Å |
| 462 | A | 93.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | trans | -54.3 | 145.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V459 G460 K467 A468 | V459-A462 HydrophobicContact CB-CB 4.2Å; V459-A462 HydrophobicContact CG2-CB 4.36Å; V459-A462 WeakPolarHBondContact O-CB 3.44Å; V459-A462 PolarHBondContact O-N 3.29Å; G460-A462 VanDerWaalsContact C-N 3.29Å; G460-A462 PolarHBondContact O-N 3.36Å; A462-K467 HydrophobicContact CB-CB 3.71Å; A462-A468 HydrophobicContact CB-CB 4.12Å | ||
| 463 | K | 92.6 | Very high | 95.2 | Very high | 181 Ų | 181 | 35.6 Ų | 35.6 | 79% | 0.787 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -104.6 | -12.9 | 173.5 | -60.5 | -174.6 | -178.8 | -176.3 | 0 | 112.7 | ||
| 464 | T | 95.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 39 Ų | 39 | 45% | 0.454 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -131.1 | 151.3 | -176.4 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | N466 K467 A468 | T464-N466 VanDerWaalsContact C-N 3.3Å; T464-N466 PolarHBondContact O-N 3.01Å; T464-K467 PolarHBondContact O-N 3.11Å; T464-K467 VanDerWaalsContact O-N 3.13Å; T464-K467 PolarHBondContact OG1-N 3.15Å; T464-A468 PolarHBondContact O-N 2.94Å |
| 465 | L | 96 | Very high | 95.2 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | -178.3 | -177.3 | 62 | 0 | 0 | 0 | 112.4 | K467 A468 E469 M790 K793 A794 K797 | L465-K467 VanDerWaalsContact C-N 3.3Å; L465-K467 PolarHBondContact O-N 2.94Å; L465-A468 WeakPolarHBondContact O-CB 3.27Å; L465-A468 PolarHBondContact O-N 3.07Å; L465-A468 VanDerWaalsContact O-N 3.17Å; L465-E469 PolarHBondContact O-N 3.03Å; L465-M790 HydrophobicContact CB-CG 4.3Å; L465-M790 HydrophobicContact CD1-CG 3.74Å; L465-M790 WeakPolarHBondContact CD1-O 3.3Å; L465-K793 HydrophobicContact CD1-CB 3.89Å; L465-A794 HydrophobicContact CD1-CB 3.97Å; L465-K797 HydrophobicContact CD2-CD 4.12Å; L465-K797 VanDerWaalsContact CD2-NZ 3.3Å |
| 466 | N | 96.2 | Very high | 95.5 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.6 | -37.1 | 178.8 | -63.8 | -0.6 | 0 | 0 | 0 | 111.9 | T464 E469 E470 | T464-N466 VanDerWaalsContact C-N 3.3Å; T464-N466 PolarHBondContact O-N 3.01Å; N466-E469 PolarHBondContact O-N 3.29Å; N466-E470 WeakPolarHBondContact O-CB 3.45Å; N466-E470 PolarHBondContact O-N 3.48Å |
| 467 | K | 96.8 | Very high | 95.7 | Very high | 109 Ų | 109 | 38.7 Ų | 38.7 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.2 | -31.8 | 175.8 | -77.9 | -72.1 | 174.6 | -161.6 | 0 | 112.3 | A462 T464 L465 E470 H471 | A462-K467 HydrophobicContact CB-CB 3.71Å; T464-K467 PolarHBondContact O-N 3.11Å; T464-K467 VanDerWaalsContact O-N 3.13Å; T464-K467 PolarHBondContact OG1-N 3.15Å; L465-K467 VanDerWaalsContact C-N 3.3Å; L465-K467 PolarHBondContact O-N 2.94Å; K467-E470 WeakPolarHBondContact CD-OE2 3.48Å; K467-E470 WeakPolarHBondContact CE-OE2 3.39Å; K467-E470 VanDerWaalsContact NZ-CD 3.35Å; K467-E470 IonicContact NZ-OE1 3.71Å; K467-E470 PolarHBondContact NZ-OE1 3.5Å; K467-E470 IonicContact NZ-OE2 3.2Å; K467-E470 PolarHBondContact NZ-OE2 2.75Å; K467-H471 WeakPolarHBondContact O-CB 3.3Å; K467-H471 PolarHBondContact O-N 3.29Å |
| 468 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V459 A462 T464 L465 H471 I472 M790 A794 | V459-A468 HydrophobicContact CB-CB 3.92Å; V459-A468 HydrophobicContact CG1-CB 3.84Å; A462-A468 HydrophobicContact CB-CB 4.12Å; T464-A468 PolarHBondContact O-N 2.94Å; L465-A468 WeakPolarHBondContact O-CB 3.27Å; L465-A468 PolarHBondContact O-N 3.07Å; L465-A468 VanDerWaalsContact O-N 3.17Å; A468-H471 WeakPolarHBondContact O-CB 3.31Å; A468-H471 PolarHBondContact O-N 3.3Å; A468-I472 WeakPolarHBondContact O-CG1 3.49Å; A468-I472 PolarHBondContact O-N 2.7Å; A468-M790 HydrophobicContact CB-CG 3.79Å; A468-M790 HydrophobicContact CB-SD 3.63Å; A468-A794 HydrophobicContact CB-CB 4.28Å |
| 469 | E | 97.1 | Very high | 96 | Very high | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 173.4 | -176.7 | 177.9 | 159.4 | 0 | 0 | 111.5 | L465 N466 H471 I472 L473 A794 I798 | L465-E469 PolarHBondContact O-N 3.03Å; N466-E469 PolarHBondContact O-N 3.29Å; E469-H471 VanDerWaalsContact C-N 3.26Å; E469-H471 PolarHBondContact O-N 2.86Å; E469-I472 PolarHBondContact O-N 3.19Å; E469-L473 HydrophobicContact CG-CD1 3.92Å; E469-L473 HydrophobicContact CG-CG 4.43Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 3.04Å; E469-A794 HydrophobicContact CB-CB 4.34Å; E469-I798 HydrophobicContact CG-CD1 4.12Å; E469-I798 HydrophobicContact CG-CG1 3.89Å |
| 470 | E | 96.6 | Very high | 96.1 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.6 | -42.6 | 174 | -177.1 | -174.5 | 147 | 0 | 0 | 111.6 | N466 K467 R474 F813 | N466-E470 WeakPolarHBondContact O-CB 3.45Å; N466-E470 PolarHBondContact O-N 3.48Å; K467-E470 WeakPolarHBondContact CD-OE2 3.48Å; K467-E470 WeakPolarHBondContact CE-OE2 3.39Å; K467-E470 VanDerWaalsContact NZ-CD 3.35Å; K467-E470 IonicContact NZ-OE1 3.71Å; K467-E470 PolarHBondContact NZ-OE1 3.5Å; K467-E470 IonicContact NZ-OE2 3.2Å; K467-E470 PolarHBondContact NZ-OE2 2.75Å; E470-R474 VanDerWaalsContact O-CB 3.27Å; E470-R474 WeakPolarHBondContact O-CB 3.33Å; E470-R474 PolarHBondContact O-N 2.78Å; E470-F813 HydrophobicContact CG-CE1 3.97Å; E470-F813 HydrophobicContact CG-CZ 3.83Å |
| 471 | H | 96.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 177.9 | 179.4 | 74.9 | 0 | 0 | 0 | 112.6 | Q415 G458 V459 G460 K467 A468 E469 R474 I475 | Q415-H471 PolarHBondContact OE1-CE1 3.22Å; G458-H471 PolarHBondContact O-CD2 2.81Å; V459-H471 VanDerWaalsContact C-CG 3.47Å; V459-H471 VanDerWaalsContact CA-CD2 3.48Å; V459-H471 WeakPolarHBondContact CA-CD2 3.06Å; G460-H471 WeakPolarHBondContact CA-CE1 3.39Å; G460-H471 WeakPolarHBondContact CA-ND1 3.44Å; G460-H471 PolarHBondContact N-CD2 3.26Å; G460-H471 VanDerWaalsContact N-CD2 3.31Å; G460-H471 PolarHBondContact N-CE1 2.76Å; G460-H471 PolarHBondContact N-NE2 2.86Å; G460-H471 VanDerWaalsContact N-NE2 3.19Å; K467-H471 WeakPolarHBondContact O-CB 3.3Å; K467-H471 PolarHBondContact O-N 3.29Å; A468-H471 WeakPolarHBondContact O-CB 3.31Å; A468-H471 PolarHBondContact O-N 3.3Å; E469-H471 VanDerWaalsContact C-N 3.26Å; E469-H471 PolarHBondContact O-N 2.86Å; H471-R474 WeakPolarHBondContact O-CB 3.37Å; H471-R474 PolarHBondContact O-N 2.92Å; H471-I475 WeakPolarHBondContact NE2-CD1 3.32Å; H471-I475 PolarHBondContact O-N 2.76Å |
| 472 | I | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -43.3 | -179.2 | -64.1 | 168.9 | 0 | 0 | 0 | 110.4 | P457 A468 E469 R474 I475 C476 I484 M791 A794 I795 I798 | P457-I472 HydrophobicContact CG-CD1 4.5Å; P457-I472 HydrophobicContact CG-CG1 4.3Å; A468-I472 WeakPolarHBondContact O-CG1 3.49Å; A468-I472 PolarHBondContact O-N 2.7Å; E469-I472 PolarHBondContact O-N 3.19Å; I472-R474 VanDerWaalsContact C-N 3.26Å; I472-R474 PolarHBondContact O-N 3.38Å; I472-I475 PolarHBondContact O-N 3.07Å; I472-I475 VanDerWaalsContact O-N 3.17Å; I472-C476 PolarHBondContact O-N 2.82Å; I472-C476 PolarHBondContact O-SG 3.23Å; I472-I484 HydrophobicContact CG2-CD1 4.03Å; I472-M791 HydrophobicContact CD1-CG 4.08Å; I472-A794 HydrophobicContact CD1-CB 3.73Å; I472-I795 HydrophobicContact CD1-CG1 3.81Å; I472-I798 HydrophobicContact CB-CD1 3.68Å; I472-I798 HydrophobicContact CG2-CD1 3.49Å; I472-I798 VanDerWaalsContact CG2-CD1 3.49Å |
| 473 | L | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -37.3 | 174.3 | -73.9 | 171.8 | 0 | 0 | 0 | 111.7 | E469 C476 A477 I798 Y806 Q809 I810 F813 | E469-L473 HydrophobicContact CG-CD1 3.92Å; E469-L473 HydrophobicContact CG-CG 4.43Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 3.04Å; L473-C476 WeakPolarHBondContact O-CB 3.2Å; L473-C476 PolarHBondContact O-N 3.03Å; L473-A477 VanDerWaalsContact O-CB 3.29Å; L473-A477 WeakPolarHBondContact O-CB 3.37Å; L473-A477 PolarHBondContact O-N 3Å; L473-I798 HydrophobicContact CD2-CD1 4.16Å; L473-I798 HydrophobicContact CD2-CG1 4.07Å; L473-I798 HydrophobicContact CD2-CG2 3.98Å; L473-I798 HydrophobicContact CG-CD1 3.92Å; L473-I798 HydrophobicContact CG-CG1 4.12Å; L473-Y806 HydrophobicContact CD2-CD2 3.85Å; L473-Y806 HydrophobicContact CD2-CE2 3.69Å; L473-Q809 VanDerWaalsContact CD1-OE1 3.3Å; L473-I810 HydrophobicContact CD2-CD1 4.4Å; L473-I810 WeakPolarHBondContact O-CD1 3.32Å; L473-F813 HydrophobicContact CB-CD2 4.11Å; L473-F813 HydrophobicContact CB-CE2 3.76Å; L473-F813 HydrophobicContact CD1-CE2 4.21Å |
| 474 | R | 96.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 31 Ų | 31 | 28% | 0.279 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.1 | -170.1 | 175.3 | 65.6 | 178.1 | 0 | 112.3 | E470 H471 I472 A477 N478 | E470-R474 VanDerWaalsContact O-CB 3.27Å; E470-R474 WeakPolarHBondContact O-CB 3.33Å; E470-R474 PolarHBondContact O-N 2.78Å; H471-R474 WeakPolarHBondContact O-CB 3.37Å; H471-R474 PolarHBondContact O-N 2.92Å; I472-R474 VanDerWaalsContact C-N 3.26Å; I472-R474 PolarHBondContact O-N 3.38Å; R474-A477 PolarHBondContact O-N 2.85Å; R474-N478 WeakPolarHBondContact O-CB 3.04Å; R474-N478 PolarHBondContact O-N 2.76Å; R474-N478 PolarHBondContact O-ND2 3.02Å; R474-N478 PolarHBondContact O-OD1 2.9Å |
| 475 | I | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 172.8 | -67.8 | 173.2 | 0 | 0 | 0 | 110.2 | I293 P457 H471 I472 A477 N478 L479 | I293-I475 HydrophobicContact CD1-CG2 4.02Å; P457-I475 HydrophobicContact CB-CD1 4.21Å; P457-I475 WeakPolarHBondContact O-CD1 3.49Å; H471-I475 WeakPolarHBondContact NE2-CD1 3.32Å; H471-I475 PolarHBondContact O-N 2.76Å; I472-I475 PolarHBondContact O-N 3.07Å; I472-I475 VanDerWaalsContact O-N 3.17Å; I475-A477 VanDerWaalsContact C-N 3.26Å; I475-A477 PolarHBondContact O-N 3.27Å; I475-N478 PolarHBondContact O-N 3.22Å; I475-L479 HydrophobicContact CG2-CD1 3.96Å; I475-L479 PolarHBondContact O-N 3.31Å |
| 476 | C | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 175.1 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | I293 I472 L473 L479 D480 A481 Y806 I810 | I293-C476 HydrophobicContact CD1-CB 4.37Å; I472-C476 PolarHBondContact O-N 2.82Å; I472-C476 PolarHBondContact O-SG 3.23Å; L473-C476 WeakPolarHBondContact O-CB 3.2Å; L473-C476 PolarHBondContact O-N 3.03Å; C476-L479 PolarHBondContact O-N 2.98Å; C476-D480 PolarHBondContact O-N 2.77Å; C476-A481 HydrophobicContact CB-CB 4.34Å; C476-A481 PolarHBondContact O-N 2.75Å; C476-Y806 VanDerWaalsContact CB-OH 3.3Å; C476-Y806 WeakPolarHBondContact CB-OH 3.45Å; C476-I810 HydrophobicContact CB-CD1 3.7Å |
| 477 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L473 R474 I475 L479 D480 I810 F813 Q814 | L473-A477 VanDerWaalsContact O-CB 3.29Å; L473-A477 WeakPolarHBondContact O-CB 3.37Å; L473-A477 PolarHBondContact O-N 3Å; R474-A477 PolarHBondContact O-N 2.85Å; I475-A477 VanDerWaalsContact C-N 3.26Å; I475-A477 PolarHBondContact O-N 3.27Å; A477-L479 VanDerWaalsContact C-N 3.32Å; A477-L479 PolarHBondContact O-N 2.74Å; A477-D480 PolarHBondContact O-N 3.01Å; A477-D480 VanDerWaalsContact O-N 3.17Å; A477-I810 HydrophobicContact CB-CD1 3.96Å; A477-I810 HydrophobicContact CB-CG2 4.24Å; A477-F813 HydrophobicContact CB-CB 3.53Å; A477-Q814 HydrophobicContact CB-CG 4.1Å; A477-Q814 VanDerWaalsContact O-CG 3.32Å; A477-Q814 WeakPolarHBondContact O-CG 3.45Å; A477-Q814 PolarHBondContact O-NE2 3.31Å |
| 478 | N | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 176.3 | -67 | -12.4 | 0 | 0 | 0 | 111.3 | T414 M424 R474 I475 D480 | T414-N478 HydrophobicContact CG2-CB 4.04Å; T414-N478 PolarHBondContact O-ND2 3.14Å; M424-N478 VanDerWaalsContact CB-O 3.27Å; M424-N478 WeakPolarHBondContact CB-O 3.31Å; M424-N478 WeakPolarHBondContact CE-O 3.39Å; R474-N478 WeakPolarHBondContact O-CB 3.04Å; R474-N478 PolarHBondContact O-N 2.76Å; R474-N478 PolarHBondContact O-ND2 3.02Å; R474-N478 PolarHBondContact O-OD1 2.9Å; I475-N478 PolarHBondContact O-N 3.22Å; N478-D480 VanDerWaalsContact C-N 3.28Å; N478-D480 PolarHBondContact O-N 2.96Å |
| 479 | L | 98.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.4 | 177.9 | -74.9 | 164.6 | 0 | 0 | 0 | 114.1 | I293 I408 C411 T414 M424 I450 I475 C476 A477 A481 | I293-L479 HydrophobicContact CD1-CB 4.25Å; I293-L479 HydrophobicContact CD1-CD1 3.63Å; I293-L479 HydrophobicContact CG1-CB 4.38Å; I293-L479 HydrophobicContact CG1-CD1 3.77Å; I408-L479 HydrophobicContact CD1-CD2 3.52Å; C411-L479 HydrophobicContact CB-CD1 3.75Å; C411-L479 HydrophobicContact CB-CD2 4.5Å; T414-L479 HydrophobicContact CG2-CD2 3.88Å; T414-L479 HydrophobicContact CG2-CG 3.94Å; M424-L479 HydrophobicContact CG-CD2 4.29Å; I450-L479 HydrophobicContact CG2-CD2 4.13Å; I450-L479 WeakPolarHBondContact CG2-O 3.28Å; I475-L479 HydrophobicContact CG2-CD1 3.96Å; I475-L479 PolarHBondContact O-N 3.31Å; C476-L479 PolarHBondContact O-N 2.98Å; A477-L479 VanDerWaalsContact C-N 3.32Å; A477-L479 PolarHBondContact O-N 2.74Å; L479-A481 PolarHBondContact O-N 3.18Å |
| 480 | D | 98.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 35.9 | -174.2 | -163.6 | 42.6 | 0 | 0 | 0 | 114.1 | N291 Y427 L428 K431 C476 A477 N478 Q814 | N291-D480 WeakPolarHBondContact CB-O 3.29Å; N291-D480 PolarHBondContact ND2-O 3.47Å; N291-D480 PolarHBondContact ND2-OD2 3.4Å; Y427-D480 HydrophobicContact CD1-CB 4.36Å; Y427-D480 HydrophobicContact CE1-CB 3.59Å; Y427-D480 VanDerWaalsContact CE1-OD2 3.28Å; Y427-D480 WeakPolarHBondContact CE1-OD2 3.39Å; Y427-D480 PolarHBondContact OH-OD2 3.26Å; L428-D480 HydrophobicContact CD2-CB 4.06Å; K431-D480 WeakPolarHBondContact CD-OD2 3.06Å; K431-D480 IonicContact NZ-OD1 3.51Å; K431-D480 PolarHBondContact NZ-OD1 3.44Å; K431-D480 IonicContact NZ-OD2 2.65Å; K431-D480 PolarHBondContact NZ-OD2 3.41Å; C476-D480 PolarHBondContact O-N 2.77Å; A477-D480 PolarHBondContact O-N 3.01Å; A477-D480 VanDerWaalsContact O-N 3.17Å; N478-D480 VanDerWaalsContact C-N 3.28Å; N478-D480 PolarHBondContact O-N 2.96Å; D480-Q814 PolarHBondContact OD1-NE2 2.76Å |
| 481 | A | 97.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -77.8 | 126.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N291 I293 C476 L479 K483 Y806 | N291-A481 CarbonylContact O-C 3.56Å; N291-A481 WeakPolarHBondContact O-CA 3.3Å; I293-A481 HydrophobicContact CD1-CB 3.95Å; I293-A481 HydrophobicContact CG1-CB 3.84Å; C476-A481 HydrophobicContact CB-CB 4.34Å; C476-A481 PolarHBondContact O-N 2.75Å; L479-A481 PolarHBondContact O-N 3.18Å; A481-K483 VanDerWaalsContact C-N 3.32Å; A481-Y806 WeakPolarHBondContact O-CE1 3.49Å; A481-Y806 PolarHBondContact O-OH 2.85Å | ||
| 482 | S | 96.1 | Very high | 88.6 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -68.9 | -34.1 | 170.8 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | E290 N291 Q803 Y806 | E290-S482 WeakPolarHBondContact OE2-CB 3.45Å; E290-S482 PolarHBondContact OE2-OG 3.28Å; N291-S482 PolarHBondContact O-N 2.97Å; N291-S482 PolarHBondContact O-OG 3.27Å; S482-Q803 PolarHBondContact O-NE2 2.9Å; S482-Y806 WeakPolarHBondContact O-CE1 3.43Å |
| 483 | K | 95.2 | Very high | 86.8 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 147.9 | -174.7 | -64 | 171.6 | -173.1 | 147 | 0 | 111.4 | E290 V292 I293 A481 M485 | E290-K483 VanDerWaalsContact CD-NZ 3.32Å; E290-K483 IonicContact OE1-NZ 3.94Å; E290-K483 PolarHBondContact OE1-NZ 2.87Å; E290-K483 WeakPolarHBondContact OE2-CE 3.27Å; E290-K483 IonicContact OE2-NZ 2.77Å; E290-K483 PolarHBondContact OE2-NZ 3.02Å; V292-K483 WeakPolarHBondContact CA-O 3.43Å; V292-K483 HydrophobicContact CG1-CB 4.34Å; I293-K483 PolarHBondContact N-O 3.26Å; I293-K483 VanDerWaalsContact N-O 3.14Å; A481-K483 VanDerWaalsContact C-N 3.32Å; K483-M485 HydrophobicContact CB-SD 4.09Å |
| 484 | I | 95.9 | Very high | 85.5 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.6 | 164.6 | -173.6 | 168.1 | 0 | 0 | 0 | 109.3 | I293 P457 I472 I795 I798 K799 | I293-I484 HydrophobicContact CB-CG1 4.25Å; I293-I484 HydrophobicContact CG2-CD1 4.4Å; I293-I484 HydrophobicContact CG2-CG1 4.18Å; P457-I484 HydrophobicContact CG-CD1 4.35Å; I472-I484 HydrophobicContact CG2-CD1 4.03Å; I484-I795 HydrophobicContact CD1-CD1 4.44Å; I484-I795 HydrophobicContact CD1-CG1 4.34Å; I484-I795 HydrophobicContact CG2-CG2 4.36Å; I484-I798 HydrophobicContact CG2-CG2 4.21Å; I484-K799 HydrophobicContact CG2-CG 4.36Å; I484-K799 WeakPolarHBondContact O-CE 3.36Å |
| 485 | M | 95.6 | Very high | 84.7 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.2 | -176.1 | -56.6 | -55.2 | -70.9 | 0 | 0 | 110.1 | V282 P285 V292 I293 I294 C295 K483 | V282-M485 HydrophobicContact CB-CB 3.94Å; V282-M485 HydrophobicContact CG1-CB 4.15Å; P285-M485 HydrophobicContact CG-CE 3.77Å; P285-M485 HydrophobicContact CG-CG 4.49Å; P285-M485 HydrophobicContact CG-SD 3.97Å; V292-M485 HydrophobicContact CB-CG 4.42Å; I293-M485 PolarHBondContact O-N 3.17Å; I294-M485 HydrophobicContact CG1-CB 4.46Å; C295-M485 WeakPolarHBondContact CB-O 3.48Å; C295-M485 PolarHBondContact N-O 3.47Å; K483-M485 HydrophobicContact CB-SD 4.09Å |
| 486 | T | 93.3 | Very high | 84.4 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.172 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.8 | 174.2 | 61.9 | 0 | 0 | 0 | 0 | 107.5 | C295 I795 K799 | C295-T486 HydrophobicContact CB-CG2 4.1Å; T486-I795 HydrophobicContact CG2-CG2 3.85Å; T486-K799 PolarHBondContact OG1-NZ 3.41Å |
| 487 | G | 82.5 | Confident | 84.1 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | trans | -82.5 | 150.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I489 | G487-I489 PolarHBondContact O-N 3.45Š| ||
| 488 | S | 73.3 | Confident | 83.9 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | trans | -76.7 | 68.1 | 172.4 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 489 | I | 70.3 | Confident | 83.7 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | trans | -93.8 | 122 | 177.9 | -62 | 163.1 | 0 | 0 | 0 | 108.4 | Y278 L296 P297 S300 G487 K491 | Y278-I489 HydrophobicContact CD2-CD1 3.82Å; Y278-I489 HydrophobicContact CD2-CG1 3.78Å; Y278-I489 HydrophobicContact CE2-CD1 3.73Å; Y278-I489 HydrophobicContact CE2-CG1 4.04Å; Y278-I489 HydrophobicContact CG-CG1 4.06Å; L296-I489 HydrophobicContact CD2-CD1 3.83Å; P297-I489 HydrophobicContact CG-CD1 4.27Å; S300-I489 WeakPolarHBondContact OG-CD1 3.42Å; G487-I489 PolarHBondContact O-N 3.45Å; I489-K491 PolarHBondContact O-N 3.48Å | ||
| 490 | V | 62 | Low | 83.4 | Confident | 136 Ų | 136 | 70 Ų | 70 | 82% | 0.824 | 36% | 0.36 | S | S | * | . | trans | -61.5 | 108.6 | 167.5 | -178 | 0 | 0 | 0 | 0 | 107.3 | K492 | V490-K492 PolarHBondContact O-N 3Å; V490-K492 VanDerWaalsContact O-N 3.12Å | ||
| 491 | K | 60.4 | Low | 83 | Confident | 122 Ų | 122 | 70 Ų | 70 | 53% | 0.53 | 36% | 0.36 | S | S | . | . | trans | -64.8 | 113.7 | 172.8 | -73 | -173.2 | 175.6 | -174.4 | 0 | 107.1 | I489 E493 E788 | I489-K491 PolarHBondContact O-N 3.48Å; K491-E493 PolarHBondContact O-N 3.32Å; K491-E493 VanDerWaalsContact O-N 3.14Å; K491-E788 IonicContact NZ-OE1 3.92Å; K491-E788 PolarHBondContact NZ-OE1 2.86Å | ||
| 492 | K | 60.3 | Low | 82.4 | Confident | 152 Ų | 152 | 76.2 Ų | 76.2 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | trans | -58.2 | 118.6 | 164 | -93.8 | -171.5 | 173.2 | -170.5 | 0 | 106.9 | V490 Q494 E763 | V490-K492 PolarHBondContact O-N 3Å; V490-K492 VanDerWaalsContact O-N 3.12Å; K492-Q494 PolarHBondContact O-N 3.01Å; K492-E763 IonicContact NZ-OE1 3.35Å | ||
| 493 | E | 58.8 | Low | 81.8 | Confident | 191 Ų | 191 | 77.9 Ų | 77.9 | 89% | 0.893 | 40% | 0.4 | S | S | * | . | trans | -66.4 | 105.8 | 176.8 | -73.3 | -171.9 | 163.7 | 0 | 0 | 108.8 | K491 | K491-E493 PolarHBondContact O-N 3.32Å; K491-E493 VanDerWaalsContact O-N 3.14Å | ||
| 494 | Q | 70.4 | Confident | 81.2 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | trans | -76.6 | 142.5 | 170.9 | -63.6 | 178.5 | -1.1 | 0 | 0 | 109.4 | K492 K496 Q757 G760 S765 | K492-Q494 PolarHBondContact O-N 3.01Å; Q494-K496 PolarHBondContact O-N 3.34Å; Q494-Q757 PolarHBondContact NE2-O 2.82Å; Q494-Q757 PolarHBondContact OE1-O 3.1Å; Q494-G760 PolarHBondContact NE2-O 3.43Å; Q494-S765 WeakPolarHBondContact CG-OG 3.47Å | ||
| 495 | R | 80.4 | Confident | 80.5 | Confident | 183 Ų | 183 | 85.9 Ų | 85.9 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 103.2 | 175.2 | -63.9 | -178.8 | -173.1 | 171.6 | 5.2 | 109.1 | S765 T766 Y767 | R495-S765 PolarHBondContact N-O 2.98Å; R495-T766 HydrophobicContact CB-CG2 4.36Å; R495-Y767 PolarHBondContact O-N 3.46Å |
| 496 | K | 89.7 | Confident | 80.1 | Confident | 62 Ų | 62 | 90.6 Ų | 90.6 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.3 | 173.9 | -177.3 | 161.4 | -169.4 | 175.1 | 0 | 110.5 | Q494 Y767 E781 E785 | Q494-K496 PolarHBondContact O-N 3.34Å; K496-Y767 CarbonylContact C-O 3.59Å; K496-Y767 VanDerWaalsContact CA-O 3.28Å; K496-Y767 WeakPolarHBondContact CA-O 3.42Å; K496-Y767 HydrophobicContact CD-CD1 4.02Å; K496-Y767 HydrophobicContact CD-CE1 4.28Å; K496-Y767 HydrophobicContact CG-CD1 3.98Å; K496-E781 WeakPolarHBondContact CE-OE1 3.17Å; K496-E781 IonicContact NZ-OE1 3.82Å; K496-E781 PolarHBondContact NZ-OE1 3.34Å; K496-E785 VanDerWaalsContact CD-OE1 3.29Å; K496-E785 WeakPolarHBondContact CD-OE1 3.43Å; K496-E785 WeakPolarHBondContact CE-OE1 3.31Å; K496-E785 IonicContact NZ-OE1 2.94Å; K496-E785 PolarHBondContact NZ-OE1 2.99Å |
| 497 | S | 92.8 | Very high | 80 | Confident | 46 Ų | 46 | 90.7 Ų | 90.7 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.1 | 176 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | Y767 T768 V769 | S497-Y767 PolarHBondContact N-O 2.99Å; S497-T768 VanDerWaalsContact O-CA 3.3Å; S497-T768 WeakPolarHBondContact O-CA 3.14Å; S497-T768 PolarHBondContact OG-OG1 3.35Å; S497-V769 PolarHBondContact O-N 3.2Å |
| 498 | I | 92.8 | Very high | 80.6 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 40% | 0.395 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.3 | 169.5 | -59.9 | 176.6 | 0 | 0 | 0 | 107.5 | P500 V769 D771 A778 | I498-P500 WeakPolarHBondContact O-CD 3.48Å; I498-V769 WeakPolarHBondContact CA-O 3.45Å; I498-D771 HydrophobicContact CG2-CB 3.9Å; I498-A778 HydrophobicContact CD1-CB 4.26Å; I498-A778 HydrophobicContact CG2-CB 4.07Å |
| 499 | L | 93.1 | Very high | 81.6 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 22% | 0.22 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 101.7 | 178.8 | -171 | 59 | 0 | 0 | 0 | 108.4 | K641 K645 T768 V769 V770 D771 | L499-K641 HydrophobicContact CD1-CD 4.07Å; L499-K641 HydrophobicContact CD2-CB 3.66Å; L499-K641 HydrophobicContact CD2-CD 4.43Å; L499-K641 HydrophobicContact CD2-CG 4.45Å; L499-K641 HydrophobicContact CG-CB 4.07Å; L499-K641 HydrophobicContact CG-CD 4.19Å; L499-K641 HydrophobicContact CG-CG 4.37Å; L499-K645 HydrophobicContact CD2-CB 4.36Å; L499-T768 HydrophobicContact CB-CG2 4.15Å; L499-V769 PolarHBondContact N-O 3.39Å; L499-V770 HydrophobicContact CD2-CG2 4.43Å; L499-D771 PolarHBondContact O-N 2.73Å |
| 500 | P | 91.8 | Very high | 82.8 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 53% | 0.526 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.4 | 179.2 | 29.3 | -34 | 0 | 0 | 0 | 110.1 | I498 | I498-P500 WeakPolarHBondContact O-CD 3.48Å |
| 501 | V | 89.7 | Confident | 84.4 | Confident | 11 Ų | 11 | 81.2 Ų | 81.2 | 7% | 0.067 | 40% | 0.395 | C | S | . | . | trans | -105.6 | 131.9 | 175 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | D637 S638 K641 V770 D771 | V501-D637 WeakPolarHBondContact CA-OD2 3.15Å; V501-D637 HydrophobicContact CG1-CB 3.91Å; V501-S638 WeakPolarHBondContact CG1-OG 3.42Å; V501-K641 HydrophobicContact CG2-CG 4.44Å; V501-V770 HydrophobicContact CG2-CG1 3.38Å; V501-D771 VanDerWaalsContact CB-O 3.3Å; V501-D771 WeakPolarHBondContact CB-O 3.19Å; V501-D771 PolarHBondContact N-O 3.04Å | ||
| 502 | E | 86.4 | Confident | 86.1 | Confident | 135 Ų | 135 | 75.8 Ų | 75.8 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 152 | 174.4 | -64.2 | -174.2 | -177.1 | 0 | 0 | 111.9 | D637 | E502-D637 PolarHBondContact N-OD2 3.21Å; E502-D637 WeakPolarHBondContact O-CB 3.41Å |
| 503 | S | 82.5 | Confident | 87.8 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 150.9 | 167.5 | -66.1 | 0 | 0 | 0 | 0 | 109.8 | K505 K773 | S503-K505 PolarHBondContact O-N 3.45Å; S503-K773 WeakPolarHBondContact OG-CD 3.45Å; S503-K773 PolarHBondContact OG-NZ 2.56Å |
| 504 | R | 83.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 137.7 | 166.1 | -61.8 | 177.1 | -177.3 | -172.7 | -10.1 | 109.6 | E506 D507 S573 M578 Y634 N636 | R504-E506 VanDerWaalsContact C-N 3.28Å; R504-E506 WeakPolarHBondContact CB-O 3.36Å; R504-D507 HydrophobicContact CB-CB 4.35Å; R504-D507 IonicContact CZ-OD1 3.71Å; R504-D507 IonicContact NH1-OD1 2.75Å; R504-D507 PolarHBondContact NH1-OD1 3.12Å; R504-S573 PolarHBondContact NH2-O 3.2Å; R504-M578 PolarHBondContact NH1-SD 3.47Å; R504-Y634 PolarHBondContact NE-O 3.12Å; R504-N636 HydrophobicContact CG-CB 4.47Å |
| 505 | K | 80.9 | Confident | 90.9 | Very high | 209 Ų | 209 | 65.4 Ų | 65.4 | 91% | 0.909 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -62.9 | -41.5 | 172.7 | -67.1 | -177.7 | 180 | 178.3 | 0 | 110.5 | S503 | S503-K505 PolarHBondContact O-N 3.45Š|
| 506 | E | 87.5 | Confident | 91.7 | Very high | 126 Ų | 126 | 56.7 Ų | 56.7 | 59% | 0.589 | 30% | 0.298 | S | S | * | . | trans | -132.4 | 135.1 | 175.2 | -66 | 177.9 | -170.4 | 0 | 0 | 109.1 | R504 P508 Y634 | R504-E506 VanDerWaalsContact C-N 3.28Å; R504-E506 WeakPolarHBondContact CB-O 3.36Å; E506-P508 VanDerWaalsContact C-CD 3.47Å; E506-Y634 HydrophobicContact CB-CD1 4.27Å; E506-Y634 HydrophobicContact CB-CE1 4.06Å | ||
| 507 | D | 90.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | trans | -128.7 | 67.4 | 178.7 | -174 | 21.2 | 0 | 0 | 0 | 110.9 | R504 F509 G510 C511 | R504-D507 HydrophobicContact CB-CB 4.35Å; R504-D507 IonicContact CZ-OD1 3.71Å; R504-D507 IonicContact NH1-OD1 2.75Å; R504-D507 PolarHBondContact NH1-OD1 3.12Å; D507-F509 VanDerWaalsContact C-N 3.27Å; D507-F509 PolarHBondContact O-N 3.22Å; D507-G510 PolarHBondContact O-N 3.4Å; D507-G510 PolarHBondContact OD1-N 3.32Å; D507-G510 WeakPolarHBondContact OD2-CA 3.11Å; D507-C511 PolarHBondContact O-N 2.75Å; D507-C511 PolarHBondContact O-SG 3.24Å | ||
| 508 | P | 94.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -36.9 | -178.4 | 24.5 | -34 | 0 | 0 | 0 | 112 | E506 C511 V512 L628 Y634 | E506-P508 VanDerWaalsContact C-CD 3.47Å; P508-C511 WeakPolarHBondContact O-CB 3.43Å; P508-C511 PolarHBondContact O-N 3.19Å; P508-V512 WeakPolarHBondContact O-CG2 3.48Å; P508-V512 PolarHBondContact O-N 3.14Å; P508-L628 HydrophobicContact CB-CD1 4.1Å; P508-L628 HydrophobicContact CB-CD2 3.87Å; P508-L628 HydrophobicContact CG-CD2 3.83Å; P508-Y634 HydrophobicContact CG-CD1 3.72Å; P508-Y634 HydrophobicContact CG-CD2 3.75Å; P508-Y634 HydrophobicContact CG-CE1 3.68Å; P508-Y634 HydrophobicContact CG-CE2 3.72Å; P508-Y634 HydrophobicContact CG-CG 3.76Å |
| 509 | F | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 174.4 | -179.7 | -87.3 | 0 | 0 | 0 | 111.4 | D507 C511 V512 V513 M578 A581 L582 L625 L628 A629 | D507-F509 VanDerWaalsContact C-N 3.27Å; D507-F509 PolarHBondContact O-N 3.22Å; F509-C511 VanDerWaalsContact C-N 3.28Å; F509-C511 PolarHBondContact O-N 3.26Å; F509-V512 PolarHBondContact O-N 3.39Å; F509-V513 HydrophobicContact CD1-CG2 4.2Å; F509-V513 HydrophobicContact CE1-CG2 3.84Å; F509-V513 HydrophobicContact CZ-CG2 4.27Å; F509-V513 WeakPolarHBondContact O-CG2 3.38Å; F509-V513 PolarHBondContact O-N 3.3Å; F509-M578 HydrophobicContact CB-CG 4.32Å; F509-M578 HydrophobicContact CB-SD 3.38Å; F509-M578 WeakPolarHBondContact CB-SD 3.48Å; F509-M578 HydrophobicContact CD1-CB 4.5Å; F509-M578 HydrophobicContact CD1-CG 4.24Å; F509-M578 HydrophobicContact CD1-SD 4.37Å; F509-M578 HydrophobicContact CD2-CB 4.13Å; F509-M578 HydrophobicContact CD2-CG 4.44Å; F509-M578 HydrophobicContact CD2-SD 4.21Å; F509-M578 HydrophobicContact CE2-CB 4.27Å; F509-M578 HydrophobicContact CG-CB 4.25Å; F509-M578 HydrophobicContact CG-CG 4.08Å; F509-M578 HydrophobicContact CG-SD 3.75Å; F509-A581 HydrophobicContact CE1-CB 4.43Å; F509-A581 HydrophobicContact CZ-CB 4.45Å; F509-L582 HydrophobicContact CE2-CB 4.17Å; F509-L582 HydrophobicContact CZ-CB 4.21Å; F509-L625 HydrophobicContact CD2-CD2 3.68Å; F509-L625 HydrophobicContact CE2-CB 4.18Å; F509-L625 HydrophobicContact CE2-CD2 3.62Å; F509-L625 HydrophobicContact CE2-CG 4.47Å; F509-L625 HydrophobicContact CG-CD2 4.3Å; F509-L625 HydrophobicContact CZ-CD2 4.19Å; F509-L628 HydrophobicContact CB-CB 4.37Å; F509-L628 HydrophobicContact CD2-CB 4.42Å; F509-A629 HydrophobicContact CD2-CB 4.44Å; F509-A629 HydrophobicContact CE2-CB 4.26Å |
| 510 | G | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -34 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | D507 V513 K514 | D507-G510 PolarHBondContact O-N 3.4Å; D507-G510 PolarHBondContact OD1-N 3.32Å; D507-G510 WeakPolarHBondContact OD2-CA 3.11Å; G510-V513 PolarHBondContact O-N 3.12Å; G510-K514 WeakPolarHBondContact O-CB 3.35Å; G510-K514 WeakPolarHBondContact O-CG 3.27Å; G510-K514 PolarHBondContact O-N 2.98Å |
| 511 | C | 95.6 | Very high | 93 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 49% | 0.493 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 172.6 | -74.4 | 0 | 0 | 0 | 0 | 112 | D507 P508 F509 V513 K514 T515 | D507-C511 PolarHBondContact O-N 2.75Å; D507-C511 PolarHBondContact O-SG 3.24Å; P508-C511 WeakPolarHBondContact O-CB 3.43Å; P508-C511 PolarHBondContact O-N 3.19Å; F509-C511 VanDerWaalsContact C-N 3.28Å; F509-C511 PolarHBondContact O-N 3.26Å; C511-V513 PolarHBondContact O-N 2.92Å; C511-K514 PolarHBondContact O-N 3.01Å; C511-T515 PolarHBondContact O-N 3.44Å; C511-T515 PolarHBondContact O-OG1 2.8Å; C511-T515 VanDerWaalsContact O-OG1 3.07Å |
| 512 | V | 97 | Very high | 93.3 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | P508 F509 K514 T515 I516 K621 E624 L625 L628 | P508-V512 WeakPolarHBondContact O-CG2 3.48Å; P508-V512 PolarHBondContact O-N 3.14Å; F509-V512 PolarHBondContact O-N 3.39Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 2.95Å; V512-T515 WeakPolarHBondContact O-CB 3.47Å; V512-T515 PolarHBondContact O-N 3.44Å; V512-I516 HydrophobicContact CG1-CD1 4.34Å; V512-I516 WeakPolarHBondContact O-CG1 3.33Å; V512-I516 PolarHBondContact O-N 3.37Å; V512-K621 HydrophobicContact CG1-CB 4.09Å; V512-K621 HydrophobicContact CG1-CD 4.26Å; V512-K621 HydrophobicContact CG1-CG 4.3Å; V512-E624 HydrophobicContact CG2-CG 4.14Å; V512-E624 WeakPolarHBondContact CG2-OE1 3.47Å; V512-L625 HydrophobicContact CB-CD2 3.78Å; V512-L625 HydrophobicContact CB-CG 4.5Å; V512-L625 HydrophobicContact CG1-CD1 4.41Å; V512-L625 HydrophobicContact CG1-CD2 3.61Å; V512-L625 HydrophobicContact CG1-CG 3.82Å; V512-L628 HydrophobicContact CG2-CD1 3.96Å |
| 513 | V | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | F509 G510 C511 T515 I516 M517 Y566 L570 L625 | F509-V513 HydrophobicContact CD1-CG2 4.2Å; F509-V513 HydrophobicContact CE1-CG2 3.84Å; F509-V513 HydrophobicContact CZ-CG2 4.27Å; F509-V513 WeakPolarHBondContact O-CG2 3.38Å; F509-V513 PolarHBondContact O-N 3.3Å; G510-V513 PolarHBondContact O-N 3.12Å; C511-V513 PolarHBondContact O-N 2.92Å; V513-T515 VanDerWaalsContact C-N 3.35Å; V513-T515 PolarHBondContact O-N 3.43Å; V513-I516 WeakPolarHBondContact O-CB 3.45Å; V513-I516 PolarHBondContact O-N 2.88Å; V513-M517 HydrophobicContact CG1-SD 4.21Å; V513-M517 WeakPolarHBondContact O-CG 3.39Å; V513-M517 PolarHBondContact O-N 3.1Å; V513-Y566 HydrophobicContact CG1-CD1 4.12Å; V513-L570 HydrophobicContact CG1-CB 4.18Å; V513-L625 HydrophobicContact CG2-CD2 4.06Å |
| 514 | K | 96.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.9 | -72 | 170.5 | -175.5 | 172.1 | 0 | 111.9 | G510 C511 V512 I516 M517 T518 L532 L570 | G510-K514 WeakPolarHBondContact O-CB 3.35Å; G510-K514 WeakPolarHBondContact O-CG 3.27Å; G510-K514 PolarHBondContact O-N 2.98Å; C511-K514 PolarHBondContact O-N 3.01Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 2.95Å; K514-I516 VanDerWaalsContact C-N 3.34Å; K514-I516 PolarHBondContact O-N 2.94Å; K514-M517 PolarHBondContact O-N 2.92Å; K514-T518 PolarHBondContact O-N 3.36Å; K514-T518 PolarHBondContact O-OG1 2.98Å; K514-T518 VanDerWaalsContact O-OG1 3.05Å; K514-L532 HydrophobicContact CB-CD1 4.03Å; K514-L532 HydrophobicContact CG-CB 4.36Å; K514-L532 HydrophobicContact CG-CD1 3.84Å; K514-L570 HydrophobicContact CG-CD2 3.96Å |
| 515 | T | 97.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.1 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | C511 V512 V513 T518 A519 | C511-T515 PolarHBondContact O-N 3.44Å; C511-T515 PolarHBondContact O-OG1 2.8Å; C511-T515 VanDerWaalsContact O-OG1 3.07Å; V512-T515 WeakPolarHBondContact O-CB 3.47Å; V512-T515 PolarHBondContact O-N 3.44Å; V513-T515 VanDerWaalsContact C-N 3.35Å; V513-T515 PolarHBondContact O-N 3.43Å; T515-T518 PolarHBondContact O-N 3.13Å; T515-A519 PolarHBondContact O-N 2.8Å |
| 516 | I | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 173.9 | -65.8 | 167 | 0 | 0 | 0 | 110.1 | V512 V513 K514 T518 A519 I520 Y566 L617 K621 L625 | V512-I516 HydrophobicContact CG1-CD1 4.34Å; V512-I516 WeakPolarHBondContact O-CG1 3.33Å; V512-I516 PolarHBondContact O-N 3.37Å; V513-I516 WeakPolarHBondContact O-CB 3.45Å; V513-I516 PolarHBondContact O-N 2.88Å; K514-I516 VanDerWaalsContact C-N 3.34Å; K514-I516 PolarHBondContact O-N 2.94Å; I516-T518 VanDerWaalsContact C-N 3.32Å; I516-T518 PolarHBondContact O-N 3.47Å; I516-A519 PolarHBondContact O-N 3.01Å; I516-I520 HydrophobicContact CG2-CD1 3.9Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.44Å; I516-I520 PolarHBondContact O-N 3.29Å; I516-Y566 HydrophobicContact CD1-CE1 4.19Å; I516-Y566 HydrophobicContact CG2-CD1 4.31Å; I516-Y566 HydrophobicContact CG2-CD2 4.29Å; I516-Y566 HydrophobicContact CG2-CE1 3.8Å; I516-Y566 HydrophobicContact CG2-CE2 3.78Å; I516-Y566 VanDerWaalsContact CG2-CZ 3.5Å; I516-L617 HydrophobicContact CG2-CD2 3.88Å; I516-L617 HydrophobicContact CG2-CG 4.15Å; I516-K621 HydrophobicContact CD1-CB 3.81Å; I516-K621 HydrophobicContact CD1-CG 4.17Å; I516-K621 HydrophobicContact CG1-CB 4.23Å; I516-K621 HydrophobicContact CG1-CG 4.01Å; I516-L625 HydrophobicContact CD1-CD1 4.08Å |
| 517 | M | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 178.3 | -67.4 | 176.2 | 79.9 | 0 | 0 | 112.2 | V513 K514 I520 H521 L532 Y537 L563 Y566 N567 L570 | V513-M517 HydrophobicContact CG1-SD 4.21Å; V513-M517 WeakPolarHBondContact O-CG 3.39Å; V513-M517 PolarHBondContact O-N 3.1Å; K514-M517 PolarHBondContact O-N 2.92Å; M517-I520 PolarHBondContact O-N 3.46Å; M517-H521 PolarHBondContact O-N 2.99Å; M517-H521 PolarHBondContact O-ND1 2.85Å; M517-H521 VanDerWaalsContact O-ND1 3.12Å; M517-L532 HydrophobicContact CB-CD1 4.31Å; M517-L532 HydrophobicContact CE-CB 4.36Å; M517-L532 HydrophobicContact CE-CD2 3.91Å; M517-L532 HydrophobicContact SD-CB 4.38Å; M517-L532 HydrophobicContact SD-CD1 4.39Å; M517-Y537 HydrophobicContact CE-CD1 4.19Å; M517-Y537 HydrophobicContact CE-CE1 3.44Å; M517-Y537 VanDerWaalsContact CE-CE1 3.44Å; M517-Y537 HydrophobicContact CE-CE2 4.39Å; M517-L563 HydrophobicContact CB-CD2 3.97Å; M517-L563 HydrophobicContact CE-CD2 4.48Å; M517-L563 HydrophobicContact CG-CD2 4.22Å; M517-Y566 HydrophobicContact CG-CG 4.31Å; M517-N567 HydrophobicContact CE-CB 3.95Å; M517-L570 HydrophobicContact SD-CD2 4.46Å |
| 518 | T | 97 | Very high | 95.6 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | K514 T515 I516 I520 H521 E522 | K514-T518 PolarHBondContact O-N 3.36Å; K514-T518 PolarHBondContact O-OG1 2.98Å; K514-T518 VanDerWaalsContact O-OG1 3.05Å; T515-T518 PolarHBondContact O-N 3.13Å; I516-T518 VanDerWaalsContact C-N 3.32Å; I516-T518 PolarHBondContact O-N 3.47Å; T518-I520 VanDerWaalsContact C-N 3.26Å; T518-I520 PolarHBondContact O-N 3.3Å; T518-H521 WeakPolarHBondContact O-CB 3.4Å; T518-H521 PolarHBondContact O-N 3.44Å; T518-H521 VanDerWaalsContact O-N 3.13Å; T518-E522 WeakPolarHBondContact O-CG 3.31Å; T518-E522 PolarHBondContact O-N 3.04Å |
| 519 | A | 97.3 | Very high | 95.4 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T515 I516 E522 H523 F613 L617 | T515-A519 PolarHBondContact O-N 2.8Å; I516-A519 PolarHBondContact O-N 3.01Å; A519-E522 PolarHBondContact O-N 3.06Å; A519-H523 WeakPolarHBondContact O-CB 3.41Å; A519-H523 PolarHBondContact O-N 3.39Å; A519-F613 HydrophobicContact CB-CZ 4.42Å; A519-L617 HydrophobicContact CB-CD1 4.18Å; A519-L617 HydrophobicContact CB-CD2 3.87Å |
| 520 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 174.4 | -61.8 | 169.1 | 0 | 0 | 0 | 111.2 | I516 M517 T518 E522 H523 A524 C559 F562 L563 Y566 F613 L614 L617 | I516-I520 HydrophobicContact CG2-CD1 3.9Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.44Å; I516-I520 PolarHBondContact O-N 3.29Å; M517-I520 PolarHBondContact O-N 3.46Å; T518-I520 VanDerWaalsContact C-N 3.26Å; T518-I520 PolarHBondContact O-N 3.3Å; I520-E522 VanDerWaalsContact C-N 3.35Å; I520-E522 PolarHBondContact O-N 3.42Å; I520-H523 PolarHBondContact O-N 3.36Å; I520-A524 WeakPolarHBondContact O-CB 3.47Å; I520-A524 PolarHBondContact O-N 3.15Å; I520-C559 HydrophobicContact CG2-CB 3.68Å; I520-F562 HydrophobicContact CD1-CB 4.39Å; I520-L563 HydrophobicContact CB-CD2 3.81Å; I520-L563 HydrophobicContact CB-CG 4.31Å; I520-L563 HydrophobicContact CD1-CD2 4.35Å; I520-L563 HydrophobicContact CG2-CD1 4.07Å; I520-L563 HydrophobicContact CG2-CD2 3.76Å; I520-L563 HydrophobicContact CG2-CG 3.68Å; I520-Y566 HydrophobicContact CD1-CD2 3.85Å; I520-Y566 HydrophobicContact CD1-CE2 3.66Å; I520-F613 HydrophobicContact CG1-CE1 4.48Å; I520-L614 HydrophobicContact CD1-CD2 3.7Å; I520-L614 HydrophobicContact CG1-CD2 3.6Å; I520-L614 HydrophobicContact CG2-CD2 4.18Å; I520-L617 HydrophobicContact CD1-CD2 4.44Å; I520-L617 HydrophobicContact CG1-CD2 3.83Å |
| 521 | H | 97.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 173.7 | -73.4 | 137.6 | 0 | 0 | 0 | 112.3 | M517 T518 A524 R525 L526 P528 Y537 W540 | M517-H521 PolarHBondContact O-N 2.99Å; M517-H521 PolarHBondContact O-ND1 2.85Å; M517-H521 VanDerWaalsContact O-ND1 3.12Å; T518-H521 WeakPolarHBondContact O-CB 3.4Å; T518-H521 PolarHBondContact O-N 3.44Å; T518-H521 VanDerWaalsContact O-N 3.13Å; H521-A524 CarbonylContact O-C 3.6Å; H521-A524 PolarHBondContact O-N 3.18Å; H521-R525 CarbonylContact O-C 3.5Å; H521-R525 VanDerWaalsContact O-CA 3.32Å; H521-R525 WeakPolarHBondContact O-CA 3.21Å; H521-R525 PolarHBondContact O-N 3.48Å; H521-L526 VanDerWaalsContact CB-O 3.29Å; H521-L526 WeakPolarHBondContact CB-O 3.09Å; H521-L526 PolarHBondContact O-N 3.11Å; H521-P528 WeakPolarHBondContact NE2-CG 3.27Å; H521-Y537 AromaticContact CE1-CE2 3.87Å; H521-Y537 AromaticContact CE1-CZ 3.89Å; H521-Y537 PolarHBondContact CE1-OH 3.03Å; H521-Y537 AromaticContact NE2-CE2 3.73Å; H521-Y537 AromaticContact NE2-CZ 3.59Å; H521-Y537 PolarHBondContact NE2-OH 2.98Å; H521-W540 AromaticContact NE2-CH2 3.94Å; H521-W540 AromaticContact NE2-CZ3 3.98Å |
| 522 | E | 96.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 178.9 | -72 | 173.2 | -178 | 0 | 0 | 111.4 | T518 A519 I520 A524 R525 | T518-E522 WeakPolarHBondContact O-CG 3.31Å; T518-E522 PolarHBondContact O-N 3.04Å; A519-E522 PolarHBondContact O-N 3.06Å; I520-E522 VanDerWaalsContact C-N 3.35Å; I520-E522 PolarHBondContact O-N 3.42Å; E522-A524 PolarHBondContact O-N 2.89Å; E522-R525 PolarHBondContact O-N 2.74Å |
| 523 | H | 95.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.8 | -176 | 84.6 | 0 | 0 | 0 | 112.3 | A519 I520 F613 | A519-H523 WeakPolarHBondContact O-CB 3.41Å; A519-H523 PolarHBondContact O-N 3.39Å; I520-H523 PolarHBondContact O-N 3.36Å; H523-F613 HydrophobicContact CB-CD1 4.12Å; H523-F613 HydrophobicContact CB-CE1 3.51Å; H523-F613 HydrophobicContact CB-CZ 3.81Å; H523-F613 AromaticContact CD2-CD1 3.86Å; H523-F613 AromaticContact CG-CD1 3.65Å; H523-F613 AromaticContact CG-CE1 3.59Å; H523-F613 AromaticContact ND1-CD1 3.75Å; H523-F613 AromaticContact ND1-CE1 3.97Å; H523-F613 AromaticContact ND1-CG 3.86Å |
| 524 | A | 94.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -87 | -3.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I520 H521 E522 L526 C559 | I520-A524 WeakPolarHBondContact O-CB 3.47Å; I520-A524 PolarHBondContact O-N 3.15Å; H521-A524 CarbonylContact O-C 3.6Å; H521-A524 PolarHBondContact O-N 3.18Å; E522-A524 PolarHBondContact O-N 2.89Å; A524-L526 VanDerWaalsContact C-N 3.28Å; A524-L526 HydrophobicContact CB-CD1 3.85Å; A524-L526 HydrophobicContact CB-CG 3.84Å; A524-L526 PolarHBondContact O-N 3.25Å; A524-C559 HydrophobicContact CB-CB 3.7Å |
| 525 | R | 94.9 | Very high | 93.3 | Very high | 205 Ų | 205 | 63.1 Ų | 63.1 | 77% | 0.774 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 43.1 | -172 | -56.6 | -179.5 | 179.8 | 179.2 | 0.2 | 113.3 | H521 E522 F527 | H521-R525 CarbonylContact O-C 3.5Å; H521-R525 VanDerWaalsContact O-CA 3.32Å; H521-R525 WeakPolarHBondContact O-CA 3.21Å; H521-R525 PolarHBondContact O-N 3.48Å; E522-R525 PolarHBondContact O-N 2.74Å; R525-F527 HydrophobicContact CB-CE2 4.38Å; R525-F527 WeakPolarHBondContact O-CE2 3.31Å |
| 526 | L | 93.5 | Very high | 92.9 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | trans | -104.5 | 128.9 | 178.7 | -66.9 | 176 | 0 | 0 | 0 | 111 | H521 A524 P528 W540 K544 V556 L563 | H521-L526 VanDerWaalsContact CB-O 3.29Å; H521-L526 WeakPolarHBondContact CB-O 3.09Å; H521-L526 PolarHBondContact O-N 3.11Å; A524-L526 VanDerWaalsContact C-N 3.28Å; A524-L526 HydrophobicContact CB-CD1 3.85Å; A524-L526 HydrophobicContact CB-CG 3.84Å; A524-L526 PolarHBondContact O-N 3.25Å; L526-P528 WeakPolarHBondContact O-CD 3.29Å; L526-W540 HydrophobicContact CB-CH2 3.93Å; L526-W540 HydrophobicContact CB-CZ2 4.18Å; L526-W540 HydrophobicContact CD1-CH2 4.08Å; L526-K544 HydrophobicContact CD2-CD 4.3Å; L526-V556 HydrophobicContact CD1-CG1 4.19Å; L526-V556 HydrophobicContact CD2-CG1 4.02Å; L526-L563 HydrophobicContact CD1-CD1 4.1Å | ||
| 527 | F | 90.8 | Very high | 92.7 | Very high | 164 Ų | 164 | 64.3 Ų | 64.3 | 72% | 0.719 | 33% | 0.334 | S | S | * | . | trans | -125.9 | 83.9 | -176.8 | -54.7 | -77.8 | 0 | 0 | 0 | 111.1 | R525 | R525-F527 HydrophobicContact CB-CE2 4.38Å; R525-F527 WeakPolarHBondContact O-CE2 3.31Å | ||
| 528 | P | 91.7 | Very high | 92.4 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 20% | 0.201 | 35% | 0.348 | C | S | . | . | trans | -70.4 | 144.1 | 176.7 | 23.9 | -25.2 | 0 | 0 | 0 | 111.2 | H521 L526 Y537 W540 | H521-P528 WeakPolarHBondContact NE2-CG 3.27Å; L526-P528 WeakPolarHBondContact O-CD 3.29Å; P528-Y537 HydrophobicContact CB-CD2 4.23Å; P528-Y537 HydrophobicContact CB-CE2 3.97Å; P528-Y537 HydrophobicContact CG-CD2 4.3Å; P528-Y537 HydrophobicContact CG-CE2 3.6Å; P528-W540 HydrophobicContact CB-CD2 3.95Å; P528-W540 HydrophobicContact CB-CE3 4.1Å; P528-W540 HydrophobicContact CB-CH2 3.94Å; P528-W540 HydrophobicContact CB-CZ2 3.76Å; P528-W540 HydrophobicContact CB-CZ3 4.11Å; P528-W540 HydrophobicContact CG-CH2 3.85Å; P528-W540 HydrophobicContact CG-CZ2 4.09Å; P528-W540 HydrophobicContact CG-CZ3 4.1Å | ||
| 529 | T | 89.4 | Confident | 92.2 | Very high | 150 Ų | 150 | 69.9 Ų | 69.9 | 92% | 0.92 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -93.9 | -0.5 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 530 | C | 90 | Very high | 92.1 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -105.2 | 155.5 | -177.2 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | N536 Y537 | C530-N536 HydrophobicContact CB-CB 4.29Å; C530-Y537 VanDerWaalsContact SG-CA 3.55Å |
| 531 | D | 89 | Confident | 92 | Very high | 133 Ų | 133 | 71.3 Ų | 71.3 | 71% | 0.711 | 36% | 0.357 | S | S | * | . | trans | -69.4 | 137.1 | -176.9 | -59.6 | -41 | 0 | 0 | 0 | 112.5 | S534 Y537 | D531-S534 VanDerWaalsContact O-CB 3.26Å; D531-S534 WeakPolarHBondContact O-CB 3.27Å; D531-S534 PolarHBondContact O-OG 3.33Å; D531-Y537 WeakPolarHBondContact O-CB 3.48Å | ||
| 532 | L | 91.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 72 Ų | 72 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 141.2 | 172.4 | -51.1 | -178.5 | 0 | 0 | 0 | 110.6 | K514 M517 Y537 L570 | K514-L532 HydrophobicContact CB-CD1 4.03Å; K514-L532 HydrophobicContact CG-CB 4.36Å; K514-L532 HydrophobicContact CG-CD1 3.84Å; M517-L532 HydrophobicContact CB-CD1 4.31Å; M517-L532 HydrophobicContact CE-CB 4.36Å; M517-L532 HydrophobicContact CE-CD2 3.91Å; M517-L532 HydrophobicContact SD-CB 4.38Å; M517-L532 HydrophobicContact SD-CD1 4.39Å; L532-Y537 HydrophobicContact CD2-CD2 3.63Å; L532-Y537 HydrophobicContact CD2-CE2 3.18Å; L532-Y537 HydrophobicContact CD2-CG 4.5Å; L532-L570 HydrophobicContact CB-CD2 4.14Å |
| 533 | G | 87.8 | Confident | 91.6 | Very high | 25 Ų | 25 | 69.9 Ų | 69.9 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 27 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | N567 I571 | G533-N567 WeakPolarHBondContact CA-OD1 3.3Å; G533-N567 PolarHBondContact N-OD1 2.9Å; G533-I571 WeakPolarHBondContact O-CG1 3.39Å |
| 534 | S | 87.3 | Confident | 91.5 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -119.5 | 160.1 | -179.7 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | D531 N536 Y537 E538 N567 | D531-S534 VanDerWaalsContact O-CB 3.26Å; D531-S534 WeakPolarHBondContact O-CB 3.27Å; D531-S534 PolarHBondContact O-OG 3.33Å; S534-N536 VanDerWaalsContact C-N 3.28Å; S534-N536 PolarHBondContact O-N 3.16Å; S534-Y537 PolarHBondContact O-N 3.37Å; S534-Y537 WeakPolarHBondContact OG-CB 3.31Å; S534-Y537 PolarHBondContact OG-N 2.9Å; S534-Y537 VanDerWaalsContact OG-N 3.11Å; S534-E538 PolarHBondContact O-N 2.62Å; S534-E538 VanDerWaalsContact O-N 3.16Å; S534-N567 PolarHBondContact N-OD1 2.94Å; S534-N567 PolarHBondContact O-ND2 3.45Å; S534-N567 VanDerWaalsContact O-ND2 3.09Å |
| 535 | Q | 85.2 | Confident | 91.4 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 173.9 | -171.7 | 174.1 | 4.3 | 0 | 0 | 111.9 | Y537 E538 Q539 | Q535-Y537 VanDerWaalsContact C-N 3.34Å; Q535-E538 PolarHBondContact O-N 3.12Å; Q535-Q539 WeakPolarHBondContact O-CG 3.47Å; Q535-Q539 PolarHBondContact O-N 3.25Å; Q535-Q539 VanDerWaalsContact O-N 3.13Å |
| 536 | N | 89.8 | Confident | 91.1 | Very high | 107 Ų | 107 | 65.9 Ų | 65.9 | 57% | 0.572 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 176.8 | -68.3 | -14.8 | 0 | 0 | 0 | 110.9 | C530 S534 Q539 W540 | C530-N536 HydrophobicContact CB-CB 4.29Å; S534-N536 VanDerWaalsContact C-N 3.28Å; S534-N536 PolarHBondContact O-N 3.16Å; N536-Q539 PolarHBondContact O-N 2.96Å; N536-W540 PolarHBondContact O-N 2.85Å |
| 537 | Y | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 174.9 | -173.3 | -79.8 | 0 | 0 | 0 | 112.2 | M517 H521 P528 C530 D531 L532 S534 Q535 Q539 W540 A541 L563 N567 | M517-Y537 HydrophobicContact CE-CD1 4.19Å; M517-Y537 HydrophobicContact CE-CE1 3.44Å; M517-Y537 VanDerWaalsContact CE-CE1 3.44Å; M517-Y537 HydrophobicContact CE-CE2 4.39Å; H521-Y537 AromaticContact CE1-CE2 3.87Å; H521-Y537 AromaticContact CE1-CZ 3.89Å; H521-Y537 PolarHBondContact CE1-OH 3.03Å; H521-Y537 AromaticContact NE2-CE2 3.73Å; H521-Y537 AromaticContact NE2-CZ 3.59Å; H521-Y537 PolarHBondContact NE2-OH 2.98Å; P528-Y537 HydrophobicContact CB-CD2 4.23Å; P528-Y537 HydrophobicContact CB-CE2 3.97Å; P528-Y537 HydrophobicContact CG-CD2 4.3Å; P528-Y537 HydrophobicContact CG-CE2 3.6Å; C530-Y537 VanDerWaalsContact SG-CA 3.55Å; D531-Y537 WeakPolarHBondContact O-CB 3.48Å; L532-Y537 HydrophobicContact CD2-CD2 3.63Å; L532-Y537 HydrophobicContact CD2-CE2 3.18Å; L532-Y537 HydrophobicContact CD2-CG 4.5Å; S534-Y537 PolarHBondContact O-N 3.37Å; S534-Y537 WeakPolarHBondContact OG-CB 3.31Å; S534-Y537 PolarHBondContact OG-N 2.9Å; S534-Y537 VanDerWaalsContact OG-N 3.11Å; Q535-Y537 VanDerWaalsContact C-N 3.34Å; Y537-Q539 VanDerWaalsContact C-N 3.32Å; Y537-Q539 PolarHBondContact O-N 2.8Å; Y537-W540 HydrophobicContact CD2-CE3 4.29Å; Y537-W540 HydrophobicContact CE1-CE3 4.37Å; Y537-W540 HydrophobicContact CE1-CZ3 4.35Å; Y537-W540 AromaticContact CE2-CE3 3.97Å; Y537-W540 HydrophobicContact CE2-CE3 3.97Å; Y537-W540 AromaticContact CE2-CZ3 3.86Å; Y537-W540 HydrophobicContact CE2-CZ3 3.86Å; Y537-W540 AromaticContact CZ-CZ3 3.7Å; Y537-W540 PolarHBondContact O-N 3.48Å; Y537-A541 HydrophobicContact CE1-CB 4.4Å; Y537-A541 PolarHBondContact O-N 3.14Å; Y537-L563 HydrophobicContact CE1-CB 4.36Å; Y537-L563 WeakPolarHBondContact OH-CD2 3.46Å; Y537-N567 HydrophobicContact CD1-CB 3.7Å; Y537-N567 VanDerWaalsContact CD1-CG 3.43Å; Y537-N567 WeakPolarHBondContact CD1-OD1 3.43Å; Y537-N567 HydrophobicContact CE1-CB 3.93Å |
| 538 | E | 92.1 | Very high | 91.1 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 174.7 | -166.9 | -172 | 168.5 | 0 | 0 | 111.6 | S534 Q535 A541 V542 R564 | S534-E538 PolarHBondContact O-N 2.62Å; S534-E538 VanDerWaalsContact O-N 3.16Å; Q535-E538 PolarHBondContact O-N 3.12Å; E538-A541 PolarHBondContact O-N 3.03Å; E538-V542 WeakPolarHBondContact O-CG2 3.27Å; E538-V542 PolarHBondContact O-N 3.49Å; E538-R564 HydrophobicContact CG-CG 4.18Å; E538-R564 IonicContact OE1-NE 2.98Å; E538-R564 IonicContact OE1-NH2 2.68Å |
| 539 | Q | 91.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 59.5 Ų | 59.5 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 177.1 | -70.4 | 178.3 | -4 | 0 | 0 | 112.1 | Q535 N536 Y537 V542 Q543 | Q535-Q539 WeakPolarHBondContact O-CG 3.47Å; Q535-Q539 PolarHBondContact O-N 3.25Å; Q535-Q539 VanDerWaalsContact O-N 3.13Å; N536-Q539 PolarHBondContact O-N 2.96Å; Y537-Q539 VanDerWaalsContact C-N 3.32Å; Y537-Q539 PolarHBondContact O-N 2.8Å; Q539-V542 PolarHBondContact O-N 3.44Å; Q539-Q543 WeakPolarHBondContact O-CB 3.47Å; Q539-Q543 PolarHBondContact O-N 2.64Å |
| 540 | W | 95.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 20% | 0.197 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.8 | 171.4 | 89.2 | 0 | 0 | 0 | 111.7 | H521 L526 P528 N536 Y537 V542 Q543 K544 L563 | H521-W540 AromaticContact NE2-CH2 3.94Å; H521-W540 AromaticContact NE2-CZ3 3.98Å; L526-W540 HydrophobicContact CB-CH2 3.93Å; L526-W540 HydrophobicContact CB-CZ2 4.18Å; L526-W540 HydrophobicContact CD1-CH2 4.08Å; P528-W540 HydrophobicContact CB-CD2 3.95Å; P528-W540 HydrophobicContact CB-CE3 4.1Å; P528-W540 HydrophobicContact CB-CH2 3.94Å; P528-W540 HydrophobicContact CB-CZ2 3.76Å; P528-W540 HydrophobicContact CB-CZ3 4.11Å; P528-W540 HydrophobicContact CG-CH2 3.85Å; P528-W540 HydrophobicContact CG-CZ2 4.09Å; P528-W540 HydrophobicContact CG-CZ3 4.1Å; N536-W540 PolarHBondContact O-N 2.85Å; Y537-W540 HydrophobicContact CD2-CE3 4.29Å; Y537-W540 HydrophobicContact CE1-CE3 4.37Å; Y537-W540 HydrophobicContact CE1-CZ3 4.35Å; Y537-W540 AromaticContact CE2-CE3 3.97Å; Y537-W540 HydrophobicContact CE2-CE3 3.97Å; Y537-W540 AromaticContact CE2-CZ3 3.86Å; Y537-W540 HydrophobicContact CE2-CZ3 3.86Å; Y537-W540 AromaticContact CZ-CZ3 3.7Å; Y537-W540 PolarHBondContact O-N 3.48Å; W540-V542 PolarHBondContact O-N 2.76Å; W540-Q543 PolarHBondContact O-N 3.1Å; W540-K544 HydrophobicContact CD2-CG 4.17Å; W540-K544 HydrophobicContact CZ2-CG 3.92Å; W540-K544 WeakPolarHBondContact O-CG 3.45Å; W540-K544 PolarHBondContact O-N 3.13Å; W540-L563 HydrophobicContact CH2-CD1 4.47Å; W540-L563 HydrophobicContact CZ3-CD1 4.29Å |
| 541 | A | 94.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y537 E538 Q543 K544 E545 R564 | Y537-A541 HydrophobicContact CE1-CB 4.4Å; Y537-A541 PolarHBondContact O-N 3.14Å; E538-A541 PolarHBondContact O-N 3.03Å; A541-Q543 VanDerWaalsContact C-N 3.33Å; A541-Q543 PolarHBondContact O-N 2.98Å; A541-K544 PolarHBondContact O-N 3.27Å; A541-E545 WeakPolarHBondContact O-CB 3.28Å; A541-E545 PolarHBondContact O-N 3.01Å; A541-R564 HydrophobicContact CB-CB 4.04Å |
| 542 | V | 92.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | E538 Q539 W540 R546 | E538-V542 WeakPolarHBondContact O-CG2 3.27Å; E538-V542 PolarHBondContact O-N 3.49Å; Q539-V542 PolarHBondContact O-N 3.44Å; W540-V542 PolarHBondContact O-N 2.76Å; V542-R546 VanDerWaalsContact O-CG 3.29Å; V542-R546 WeakPolarHBondContact O-CG 3.26Å; V542-R546 PolarHBondContact O-N 3.16Å |
| 543 | Q | 92.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.2 | -178.3 | 58.7 | 26.9 | 0 | 0 | 111.3 | Q539 W540 A541 R546 E547 | Q539-Q543 WeakPolarHBondContact O-CB 3.47Å; Q539-Q543 PolarHBondContact O-N 2.64Å; W540-Q543 PolarHBondContact O-N 3.1Å; A541-Q543 VanDerWaalsContact C-N 3.33Å; A541-Q543 PolarHBondContact O-N 2.98Å; Q543-R546 PolarHBondContact O-N 2.77Å; Q543-E547 WeakPolarHBondContact CG-OE1 3.22Å; Q543-E547 PolarHBondContact NE2-OE1 3.45Å; Q543-E547 WeakPolarHBondContact O-CG 3.44Å; Q543-E547 PolarHBondContact O-N 3.29Å |
| 544 | K | 93.8 | Very high | 90.5 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 177.4 | -73.2 | -70.8 | 161.6 | -152.7 | 0 | 113 | L526 W540 A541 R546 E547 A548 A560 | L526-K544 HydrophobicContact CD2-CD 4.3Å; W540-K544 HydrophobicContact CD2-CG 4.17Å; W540-K544 HydrophobicContact CZ2-CG 3.92Å; W540-K544 WeakPolarHBondContact O-CG 3.45Å; W540-K544 PolarHBondContact O-N 3.13Å; A541-K544 PolarHBondContact O-N 3.27Å; K544-R546 VanDerWaalsContact C-N 3.29Å; K544-R546 PolarHBondContact O-N 3.01Å; K544-E547 IonicContact NZ-OE2 2.76Å; K544-E547 PolarHBondContact NZ-OE2 3.16Å; K544-E547 PolarHBondContact O-N 3.38Å; K544-A548 VanDerWaalsContact O-CB 3.31Å; K544-A548 WeakPolarHBondContact O-CB 3.39Å; K544-A548 PolarHBondContact O-N 2.9Å; K544-A560 HydrophobicContact CB-CB 4.3Å |
| 545 | E | 92.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 173 | -177.7 | -82.1 | 153.1 | 0 | 0 | 111.4 | A541 A549 R557 A560 R846 | A541-E545 WeakPolarHBondContact O-CB 3.28Å; A541-E545 PolarHBondContact O-N 3.01Å; E545-A549 VanDerWaalsContact O-CB 3.32Å; E545-A549 WeakPolarHBondContact O-CB 3.47Å; E545-A549 PolarHBondContact O-N 2.97Å; E545-R557 HydrophobicContact CG-CG 3.99Å; E545-A560 HydrophobicContact CB-CB 3.9Å; E545-R846 VanDerWaalsContact CD-NH2 3.29Å; E545-R846 IonicContact OE1-CZ 2.79Å; E545-R846 VanDerWaalsContact OE1-CZ 3.31Å; E545-R846 IonicContact OE1-NE 3.52Å; E545-R846 PolarHBondContact OE1-NE 2.93Å; E545-R846 IonicContact OE1-NH2 2.66Å; E545-R846 PolarHBondContact OE1-NH2 2.94Å; E545-R846 IonicContact OE2-CZ 3.62Å; E545-R846 IonicContact OE2-NH2 3.41Å; E545-R846 PolarHBondContact OE2-NH2 2.99Å |
| 546 | R | 88.8 | Confident | 91.2 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 179.6 | -72 | 171.6 | 179.2 | -176.4 | -0.1 | 113.6 | V542 Q543 K544 K550 S936 | V542-R546 VanDerWaalsContact O-CG 3.29Å; V542-R546 WeakPolarHBondContact O-CG 3.26Å; V542-R546 PolarHBondContact O-N 3.16Å; Q543-R546 PolarHBondContact O-N 2.77Å; K544-R546 VanDerWaalsContact C-N 3.29Å; K544-R546 PolarHBondContact O-N 3.01Å; R546-K550 PolarHBondContact O-N 2.89Å; R546-S936 PolarHBondContact O-OG 2.99Å |
| 547 | E | 91 | Very high | 91.3 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -52 | 175.2 | -74.7 | 168.9 | -170.8 | 0 | 0 | 109.9 | Q543 K544 A549 K550 D551 | Q543-E547 WeakPolarHBondContact CG-OE1 3.22Å; Q543-E547 PolarHBondContact NE2-OE1 3.45Å; Q543-E547 WeakPolarHBondContact O-CG 3.44Å; Q543-E547 PolarHBondContact O-N 3.29Å; K544-E547 IonicContact NZ-OE2 2.76Å; K544-E547 PolarHBondContact NZ-OE2 3.16Å; K544-E547 PolarHBondContact O-N 3.38Å; E547-A549 VanDerWaalsContact C-N 3.34Å; E547-A549 PolarHBondContact O-N 2.87Å; E547-K550 WeakPolarHBondContact O-CA 3.45Å; E547-K550 VanDerWaalsContact O-CB 3.32Å; E547-K550 WeakPolarHBondContact O-CB 3.36Å; E547-K550 PolarHBondContact O-N 3.12Å; E547-D551 PolarHBondContact O-N 3.28Å |
| 548 | A | 91.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K544 K550 D551 G552 D553 V556 R557 | K544-A548 VanDerWaalsContact O-CB 3.31Å; K544-A548 WeakPolarHBondContact O-CB 3.39Å; K544-A548 PolarHBondContact O-N 2.9Å; A548-K550 VanDerWaalsContact C-N 3.28Å; A548-K550 PolarHBondContact O-N 3.45Å; A548-D551 PolarHBondContact O-N 2.83Å; A548-G552 PolarHBondContact O-N 2.88Å; A548-D553 HydrophobicContact CB-CB 4.24Å; A548-D553 PolarHBondContact O-N 3.11Å; A548-V556 HydrophobicContact CB-CB 3.85Å; A548-V556 HydrophobicContact CB-CG1 3.68Å; A548-R557 HydrophobicContact CB-CB 3.74Å |
| 549 | A | 87.8 | Confident | 91.4 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E545 E547 R557 R846 V927 | E545-A549 VanDerWaalsContact O-CB 3.32Å; E545-A549 WeakPolarHBondContact O-CB 3.47Å; E545-A549 PolarHBondContact O-N 2.97Å; E547-A549 VanDerWaalsContact C-N 3.34Å; E547-A549 PolarHBondContact O-N 2.87Å; A549-R557 HydrophobicContact CB-CG 4.36Å; A549-R846 HydrophobicContact CB-CG 4.23Å; A549-V927 HydrophobicContact CB-CG2 4.3Å; A549-V927 WeakPolarHBondContact O-CG2 3.12Å |
| 550 | K | 86.9 | Confident | 91.6 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.4 | -42.7 | 177.6 | -173.3 | -169.8 | 174.4 | -164.9 | 0 | 111.3 | R546 E547 A548 G552 K934 | R546-K550 PolarHBondContact O-N 2.89Å; E547-K550 WeakPolarHBondContact O-CA 3.45Å; E547-K550 VanDerWaalsContact O-CB 3.32Å; E547-K550 WeakPolarHBondContact O-CB 3.36Å; E547-K550 PolarHBondContact O-N 3.12Å; A548-K550 VanDerWaalsContact C-N 3.28Å; A548-K550 PolarHBondContact O-N 3.45Å; K550-G552 VanDerWaalsContact C-N 3.26Å; K550-G552 PolarHBondContact O-N 2.91Å; K550-K934 WeakPolarHBondContact CE-O 3.43Å; K550-K934 HydrophobicContact CG-CB 3.78Å; K550-K934 WeakPolarHBondContact O-CD 3.19Å; K550-K934 PolarHBondContact O-NZ 3.49Å |
| 551 | D | 88.8 | Confident | 91.5 | Very high | 120 Ų | 120 | 42.3 Ų | 42.3 | 64% | 0.642 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -77.7 | -17.1 | -177.2 | -62.3 | -18.8 | 0 | 0 | 0 | 112 | E547 A548 | E547-D551 PolarHBondContact O-N 3.28Å; A548-D551 PolarHBondContact O-N 2.83Å |
| 552 | G | 85.7 | Confident | 91.5 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 17.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A548 K550 Q554 | A548-G552 PolarHBondContact O-N 2.88Å; K550-G552 VanDerWaalsContact C-N 3.26Å; K550-G552 PolarHBondContact O-N 2.91Å; G552-Q554 PolarHBondContact O-N 3.21Å |
| 553 | D | 90.4 | Very high | 91.8 | Very high | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | trans | -80.3 | 95.9 | 176.9 | -171.4 | -29.1 | 0 | 0 | 0 | 109.9 | A548 T555 V556 R557 | A548-D553 HydrophobicContact CB-CB 4.24Å; A548-D553 PolarHBondContact O-N 3.11Å; D553-T555 PolarHBondContact OD1-N 3.4Å; D553-T555 VanDerWaalsContact OD1-N 3.15Å; D553-V556 HydrophobicContact CB-CB 4.36Å; D553-V556 PolarHBondContact OD1-N 3.1Å; D553-V556 VanDerWaalsContact OD2-CG2 3.23Å; D553-V556 WeakPolarHBondContact OD2-CG2 3.27Å; D553-R557 VanDerWaalsContact O-CB 3.25Å; D553-R557 WeakPolarHBondContact O-CB 3.39Å; D553-R557 PolarHBondContact O-N 3.47Å | ||
| 554 | Q | 88.9 | Confident | 91.9 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.5 | -39.5 | -179 | -173.3 | 175.1 | 6.3 | 0 | 0 | 112 | G552 R557 V558 H847 | G552-Q554 PolarHBondContact O-N 3.21Å; Q554-R557 PolarHBondContact O-N 3.02Å; Q554-V558 HydrophobicContact CG-CG2 4.2Å; Q554-V558 VanDerWaalsContact O-CG2 3.29Å; Q554-V558 WeakPolarHBondContact O-CG2 3.3Å; Q554-V558 PolarHBondContact O-N 3.29Å; Q554-H847 PolarHBondContact NE2-NE2 3.01Å |
| 555 | T | 91.8 | Very high | 91.9 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64 | -52.7 | -176.4 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | D553 R557 V558 C559 T610 | D553-T555 PolarHBondContact OD1-N 3.4Å; D553-T555 VanDerWaalsContact OD1-N 3.15Å; T555-R557 VanDerWaalsContact C-N 3.31Å; T555-R557 PolarHBondContact O-N 3.29Å; T555-V558 PolarHBondContact O-N 3.23Å; T555-C559 WeakPolarHBondContact O-CB 3.4Å; T555-C559 PolarHBondContact O-N 3.33Å; T555-C559 PolarHBondContact O-SG 3.38Å; T555-T610 HydrophobicContact CG2-CG2 4.02Å; T555-T610 PolarHBondContact OG1-OG1 2.89Å |
| 556 | V | 93.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 13% | 0.127 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L526 A548 D553 A560 | L526-V556 HydrophobicContact CD1-CG1 4.19Å; L526-V556 HydrophobicContact CD2-CG1 4.02Å; A548-V556 HydrophobicContact CB-CB 3.85Å; A548-V556 HydrophobicContact CB-CG1 3.68Å; D553-V556 HydrophobicContact CB-CB 4.36Å; D553-V556 PolarHBondContact OD1-N 3.1Å; D553-V556 VanDerWaalsContact OD2-CG2 3.23Å; D553-V556 WeakPolarHBondContact OD2-CG2 3.27Å; V556-A560 VanDerWaalsContact O-CB 3.24Å; V556-A560 WeakPolarHBondContact O-CB 3.26Å; V556-A560 PolarHBondContact O-N 2.9Å |
| 557 | R | 92.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -49.4 | -179.3 | -172.6 | -171.2 | 57.5 | 65.9 | 12.4 | 112.1 | E545 A548 A549 D553 Q554 T555 A560 E561 R846 H847 | E545-R557 HydrophobicContact CG-CG 3.99Å; A548-R557 HydrophobicContact CB-CB 3.74Å; A549-R557 HydrophobicContact CB-CG 4.36Å; D553-R557 VanDerWaalsContact O-CB 3.25Å; D553-R557 WeakPolarHBondContact O-CB 3.39Å; D553-R557 PolarHBondContact O-N 3.47Å; Q554-R557 PolarHBondContact O-N 3.02Å; T555-R557 VanDerWaalsContact C-N 3.31Å; T555-R557 PolarHBondContact O-N 3.29Å; R557-A560 PolarHBondContact O-N 3.17Å; R557-E561 PolarHBondContact O-N 3.39Å; R557-E561 VanDerWaalsContact O-N 3.07Å; R557-R846 VanDerWaalsContact CD-O 3.26Å; R557-R846 WeakPolarHBondContact CD-O 3.29Å; R557-R846 PolarHBondContact NE-O 3.34Å; R557-R846 VanDerWaalsContact NE-O 3.08Å; R557-H847 PolarHBondContact NE-O 3.06Å; R557-H847 PolarHBondContact NH1-ND1 3.05Å; R557-H847 VanDerWaalsContact NH2-C 3.34Å; R557-H847 PolarHBondContact NH2-CD2 3.36Å; R557-H847 PolarHBondContact NH2-CE1 2.75Å; R557-H847 VanDerWaalsContact NH2-CE1 3.26Å; R557-H847 PolarHBondContact NH2-ND1 3.21Å; R557-H847 PolarHBondContact NH2-NE2 3.38Å; R557-H847 PolarHBondContact NH2-O 3.44Å |
| 558 | V | 91.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 178.8 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | Q554 T555 A560 E561 F562 E611 L614 | Q554-V558 HydrophobicContact CG-CG2 4.2Å; Q554-V558 VanDerWaalsContact O-CG2 3.29Å; Q554-V558 WeakPolarHBondContact O-CG2 3.3Å; Q554-V558 PolarHBondContact O-N 3.29Å; T555-V558 PolarHBondContact O-N 3.23Å; V558-A560 VanDerWaalsContact C-N 3.34Å; V558-A560 PolarHBondContact O-N 2.72Å; V558-E561 WeakPolarHBondContact O-CB 3.31Å; V558-E561 PolarHBondContact O-N 2.86Å; V558-F562 HydrophobicContact CG1-CD2 4.03Å; V558-F562 HydrophobicContact CG1-CE2 3.89Å; V558-F562 VanDerWaalsContact O-CD2 3.3Å; V558-F562 WeakPolarHBondContact O-CD2 3.15Å; V558-F562 PolarHBondContact O-N 3.17Å; V558-F562 VanDerWaalsContact O-N 3.09Å; V558-E611 HydrophobicContact CG1-CG 4.32Å; V558-L614 HydrophobicContact CG1-CD1 3.59Å |
| 559 | C | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.8 | -72.2 | 0 | 0 | 0 | 0 | 112.2 | I520 A524 T555 E561 F562 L563 | I520-C559 HydrophobicContact CG2-CB 3.68Å; A524-C559 HydrophobicContact CB-CB 3.7Å; T555-C559 WeakPolarHBondContact O-CB 3.4Å; T555-C559 PolarHBondContact O-N 3.33Å; T555-C559 PolarHBondContact O-SG 3.38Å; C559-E561 VanDerWaalsContact C-N 3.35Å; C559-E561 PolarHBondContact O-N 2.8Å; C559-F562 PolarHBondContact O-N 3.37Å; C559-L563 WeakPolarHBondContact O-CB 3.21Å; C559-L563 WeakPolarHBondContact O-CG 3.26Å; C559-L563 PolarHBondContact O-N 3.17Å |
| 560 | A | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K544 E545 V556 R557 V558 R564 | K544-A560 HydrophobicContact CB-CB 4.3Å; E545-A560 HydrophobicContact CB-CB 3.9Å; V556-A560 VanDerWaalsContact O-CB 3.24Å; V556-A560 WeakPolarHBondContact O-CB 3.26Å; V556-A560 PolarHBondContact O-N 2.9Å; R557-A560 PolarHBondContact O-N 3.17Å; V558-A560 VanDerWaalsContact C-N 3.34Å; V558-A560 PolarHBondContact O-N 2.72Å; A560-R564 WeakPolarHBondContact O-CB 3.47Å; A560-R564 PolarHBondContact O-N 2.77Å |
| 561 | E | 92.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 32.5 Ų | 32.5 | 23% | 0.229 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 173 | -174.2 | -177.3 | 163 | 0 | 0 | 111.3 | R557 V558 C559 R564 R565 F588 Q592 | R557-E561 PolarHBondContact O-N 3.39Å; R557-E561 VanDerWaalsContact O-N 3.07Å; V558-E561 WeakPolarHBondContact O-CB 3.31Å; V558-E561 PolarHBondContact O-N 2.86Å; C559-E561 VanDerWaalsContact C-N 3.35Å; C559-E561 PolarHBondContact O-N 2.8Å; E561-R564 PolarHBondContact O-N 3.06Å; E561-R565 PolarHBondContact O-N 2.94Å; E561-F588 HydrophobicContact CG-CE2 4.5Å; E561-F588 HydrophobicContact CG-CZ 4.28Å; E561-Q592 PolarHBondContact OE1-NE2 3.17Å |
| 562 | F | 95.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 177.4 | -83.3 | -116.3 | 0 | 0 | 0 | 111.5 | I520 V558 C559 R564 R565 Y566 F588 H589 Q592 L614 F615 | I520-F562 HydrophobicContact CD1-CB 4.39Å; V558-F562 HydrophobicContact CG1-CD2 4.03Å; V558-F562 HydrophobicContact CG1-CE2 3.89Å; V558-F562 VanDerWaalsContact O-CD2 3.3Å; V558-F562 WeakPolarHBondContact O-CD2 3.15Å; V558-F562 PolarHBondContact O-N 3.17Å; V558-F562 VanDerWaalsContact O-N 3.09Å; C559-F562 PolarHBondContact O-N 3.37Å; F562-R564 VanDerWaalsContact C-N 3.29Å; F562-R564 PolarHBondContact O-N 2.91Å; F562-R565 WeakPolarHBondContact O-CA 3.29Å; F562-R565 WeakPolarHBondContact O-CB 3.45Å; F562-R565 PolarHBondContact O-N 2.92Å; F562-Y566 HydrophobicContact CB-CD2 4.41Å; F562-Y566 HydrophobicContact CB-CE2 4.33Å; F562-Y566 HydrophobicContact CD1-CE2 4.18Å; F562-Y566 WeakPolarHBondContact O-CD2 3.44Å; F562-Y566 PolarHBondContact O-N 3.02Å; F562-F588 AromaticContact CD1-CE1 3.8Å; F562-F588 HydrophobicContact CD1-CE1 3.8Å; F562-F588 AromaticContact CD2-CE1 3.95Å; F562-F588 HydrophobicContact CD2-CE1 3.95Å; F562-F588 AromaticContact CD2-CZ 3.95Å; F562-F588 HydrophobicContact CD2-CZ 3.95Å; F562-F588 AromaticContact CE1-CE1 3.8Å; F562-F588 HydrophobicContact CE1-CE1 3.8Å; F562-F588 AromaticContact CE2-CE1 3.96Å; F562-F588 HydrophobicContact CE2-CE1 3.96Å; F562-F588 AromaticContact CE2-CZ 3.98Å; F562-F588 HydrophobicContact CE2-CZ 3.98Å; F562-F588 AromaticContact CG-CE1 3.89Å; F562-F588 HydrophobicContact CG-CE1 3.89Å; F562-F588 HydrophobicContact CG-CZ 4.28Å; F562-F588 AromaticContact CZ-CE1 3.89Å; F562-F588 HydrophobicContact CZ-CE1 3.89Å; F562-F588 HydrophobicContact CZ-CZ 4.32Å; F562-H589 AromaticContact CD1-CE1 3.97Å; F562-H589 AromaticContact CE1-CE1 3.46Å; F562-H589 VanDerWaalsContact CE1-CE1 3.46Å; F562-H589 WeakPolarHBondContact CE1-CE1 3.44Å; F562-H589 AromaticContact CE1-ND1 3.81Å; F562-Q592 HydrophobicContact CE2-CG 4.35Å; F562-Q592 HydrophobicContact CZ-CB 4.48Å; F562-Q592 HydrophobicContact CZ-CG 4.12Å; F562-L614 HydrophobicContact CB-CD2 4.29Å; F562-L614 HydrophobicContact CD1-CB 4.04Å; F562-L614 HydrophobicContact CD1-CD1 4.07Å; F562-L614 HydrophobicContact CD1-CD2 4.02Å; F562-L614 HydrophobicContact CD1-CG 4.27Å; F562-L614 HydrophobicContact CD2-CD1 3.84Å; F562-L614 HydrophobicContact CE1-CB 3.78Å; F562-L614 HydrophobicContact CE1-CD1 4.16Å; F562-L614 HydrophobicContact CE1-CG 4.41Å; F562-L614 HydrophobicContact CE2-CD1 3.94Å; F562-L614 HydrophobicContact CG-CD1 3.9Å; F562-L614 HydrophobicContact CG-CD2 4.17Å; F562-L614 HydrophobicContact CG-CG 4.49Å; F562-L614 HydrophobicContact CZ-CB 4.24Å; F562-L614 HydrophobicContact CZ-CD1 4.09Å; F562-F615 HydrophobicContact CE1-CE1 4.46Å; F562-F615 AromaticContact CZ-CE1 3.99Å; F562-F615 HydrophobicContact CZ-CE1 3.99Å |
| 563 | L | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -41.5 | 177 | -74.7 | 172.8 | 0 | 0 | 0 | 111.9 | M517 I520 L526 Y537 W540 C559 R565 Y566 N567 | M517-L563 HydrophobicContact CB-CD2 3.97Å; M517-L563 HydrophobicContact CE-CD2 4.48Å; M517-L563 HydrophobicContact CG-CD2 4.22Å; I520-L563 HydrophobicContact CB-CD2 3.81Å; I520-L563 HydrophobicContact CB-CG 4.31Å; I520-L563 HydrophobicContact CD1-CD2 4.35Å; I520-L563 HydrophobicContact CG2-CD1 4.07Å; I520-L563 HydrophobicContact CG2-CD2 3.76Å; I520-L563 HydrophobicContact CG2-CG 3.68Å; L526-L563 HydrophobicContact CD1-CD1 4.1Å; Y537-L563 HydrophobicContact CE1-CB 4.36Å; Y537-L563 WeakPolarHBondContact OH-CD2 3.46Å; W540-L563 HydrophobicContact CH2-CD1 4.47Å; W540-L563 HydrophobicContact CZ3-CD1 4.29Å; C559-L563 WeakPolarHBondContact O-CB 3.21Å; C559-L563 WeakPolarHBondContact O-CG 3.26Å; C559-L563 PolarHBondContact O-N 3.17Å; L563-R565 VanDerWaalsContact C-N 3.31Å; L563-R565 PolarHBondContact O-N 3.45Å; L563-Y566 PolarHBondContact O-N 3.12Å; L563-N567 VanDerWaalsContact O-CB 3.3Å; L563-N567 WeakPolarHBondContact O-CB 3.49Å; L563-N567 PolarHBondContact O-N 2.7Å |
| 564 | R | 95.4 | Very high | 93 | Very high | 116 Ų | 116 | 25 Ų | 25 | 44% | 0.438 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.2 | -174.6 | -176.5 | 177.1 | -155.8 | -7.5 | 111.2 | E538 A541 A560 E561 F562 N567 E568 | E538-R564 HydrophobicContact CG-CG 4.18Å; E538-R564 IonicContact OE1-NE 2.98Å; E538-R564 IonicContact OE1-NH2 2.68Å; A541-R564 HydrophobicContact CB-CB 4.04Å; A560-R564 WeakPolarHBondContact O-CB 3.47Å; A560-R564 PolarHBondContact O-N 2.77Å; E561-R564 PolarHBondContact O-N 3.06Å; F562-R564 VanDerWaalsContact C-N 3.29Å; F562-R564 PolarHBondContact O-N 2.91Å; R564-N567 WeakPolarHBondContact O-CB 3.49Å; R564-N567 PolarHBondContact O-N 3.06Å; R564-E568 PolarHBondContact O-N 3.43Å |
| 565 | R | 94.6 | Very high | 92.9 | Very high | 31 Ų | 31 | 23.6 Ų | 23.6 | 12% | 0.117 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.5 | -41.8 | -179.9 | -156.2 | 67.6 | 154.3 | 124.3 | 1.7 | 113 | E561 F562 L563 N567 E568 G569 L584 L585 F588 | E561-R565 PolarHBondContact O-N 2.94Å; F562-R565 WeakPolarHBondContact O-CA 3.29Å; F562-R565 WeakPolarHBondContact O-CB 3.45Å; F562-R565 PolarHBondContact O-N 2.92Å; L563-R565 VanDerWaalsContact C-N 3.31Å; L563-R565 PolarHBondContact O-N 3.45Å; R565-N567 VanDerWaalsContact C-N 3.34Å; R565-E568 IonicContact CZ-OE2 3.51Å; R565-E568 IonicContact NH1-OE1 2.8Å; R565-E568 IonicContact NH1-OE2 2.7Å; R565-E568 PolarHBondContact NH1-OE2 3.25Å; R565-E568 WeakPolarHBondContact O-CB 3.31Å; R565-E568 PolarHBondContact O-N 3.26Å; R565-G569 PolarHBondContact O-N 2.95Å; R565-L584 VanDerWaalsContact NH1-CD1 3.27Å; R565-L584 VanDerWaalsContact NH1-CG 3.33Å; R565-L585 HydrophobicContact CG-CD2 4.2Å; R565-F588 HydrophobicContact CB-CD1 4.27Å; R565-F588 HydrophobicContact CB-CE1 4.2Å; R565-F588 HydrophobicContact CB-CG 4.47Å; R565-F588 HydrophobicContact CB-CZ 4.32Å; R565-F588 HydrophobicContact CG-CB 4.02Å; R565-F588 HydrophobicContact CG-CD1 3.83Å; R565-F588 HydrophobicContact CG-CD2 3.9Å; R565-F588 HydrophobicContact CG-CE1 4.23Å; R565-F588 HydrophobicContact CG-CE2 4.27Å; R565-F588 HydrophobicContact CG-CG 3.64Å; R565-F588 HydrophobicContact CG-CZ 4.43Å |
| 566 | Y | 96.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.2 | -37.7 | 173.6 | -76.6 | -70.6 | 0 | 0 | 0 | 112.3 | V513 I516 M517 I520 F562 L563 E568 G569 L570 L585 H589 F618 | V513-Y566 HydrophobicContact CG1-CD1 4.12Å; I516-Y566 HydrophobicContact CD1-CE1 4.19Å; I516-Y566 HydrophobicContact CG2-CD1 4.31Å; I516-Y566 HydrophobicContact CG2-CD2 4.29Å; I516-Y566 HydrophobicContact CG2-CE1 3.8Å; I516-Y566 HydrophobicContact CG2-CE2 3.78Å; I516-Y566 VanDerWaalsContact CG2-CZ 3.5Å; M517-Y566 HydrophobicContact CG-CG 4.31Å; I520-Y566 HydrophobicContact CD1-CD2 3.85Å; I520-Y566 HydrophobicContact CD1-CE2 3.66Å; F562-Y566 HydrophobicContact CB-CD2 4.41Å; F562-Y566 HydrophobicContact CB-CE2 4.33Å; F562-Y566 HydrophobicContact CD1-CE2 4.18Å; F562-Y566 WeakPolarHBondContact O-CD2 3.44Å; F562-Y566 PolarHBondContact O-N 3.02Å; L563-Y566 PolarHBondContact O-N 3.12Å; Y566-E568 VanDerWaalsContact C-N 3.33Å; Y566-E568 PolarHBondContact O-N 2.96Å; Y566-G569 PolarHBondContact O-N 3.36Å; Y566-L570 WeakPolarHBondContact O-CB 3.44Å; Y566-L570 PolarHBondContact O-N 2.79Å; Y566-L585 HydrophobicContact CD1-CD1 3.85Å; Y566-L585 HydrophobicContact CD1-CD2 3.89Å; Y566-L585 HydrophobicContact CE1-CD1 3.99Å; Y566-L585 HydrophobicContact CE1-CD2 4.23Å; Y566-L585 HydrophobicContact CG-CD2 4.41Å; Y566-H589 AromaticContact CZ-NE2 3.69Å; Y566-H589 PolarHBondContact OH-NE2 2.92Å; Y566-F618 HydrophobicContact CE1-CD2 4.19Å; Y566-F618 VanDerWaalsContact OH-CD2 3.26Å; Y566-F618 WeakPolarHBondContact OH-CD2 3.38Å |
| 567 | N | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 173.4 | -174.5 | 77.9 | 0 | 0 | 0 | 111.7 | M517 G533 S534 Y537 L563 R564 R565 L570 I571 | M517-N567 HydrophobicContact CE-CB 3.95Å; G533-N567 WeakPolarHBondContact CA-OD1 3.3Å; G533-N567 PolarHBondContact N-OD1 2.9Å; S534-N567 PolarHBondContact N-OD1 2.94Å; S534-N567 PolarHBondContact O-ND2 3.45Å; S534-N567 VanDerWaalsContact O-ND2 3.09Å; Y537-N567 HydrophobicContact CD1-CB 3.7Å; Y537-N567 VanDerWaalsContact CD1-CG 3.43Å; Y537-N567 WeakPolarHBondContact CD1-OD1 3.43Å; Y537-N567 HydrophobicContact CE1-CB 3.93Å; L563-N567 VanDerWaalsContact O-CB 3.3Å; L563-N567 WeakPolarHBondContact O-CB 3.49Å; L563-N567 PolarHBondContact O-N 2.7Å; R564-N567 WeakPolarHBondContact O-CB 3.49Å; R564-N567 PolarHBondContact O-N 3.06Å; R565-N567 VanDerWaalsContact C-N 3.34Å; N567-L570 PolarHBondContact O-N 3.32Å; N567-I571 WeakPolarHBondContact O-CG1 3.32Å; N567-I571 PolarHBondContact O-N 3.05Å |
| 568 | E | 92.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 22.4 Ų | 22.4 | 31% | 0.308 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 173.7 | -174.2 | -176.7 | -168.1 | 0 | 0 | 111.6 | R564 R565 Y566 L570 I571 L572 L584 | R564-E568 PolarHBondContact O-N 3.43Å; R565-E568 IonicContact CZ-OE2 3.51Å; R565-E568 IonicContact NH1-OE1 2.8Å; R565-E568 IonicContact NH1-OE2 2.7Å; R565-E568 PolarHBondContact NH1-OE2 3.25Å; R565-E568 WeakPolarHBondContact O-CB 3.31Å; R565-E568 PolarHBondContact O-N 3.26Å; Y566-E568 VanDerWaalsContact C-N 3.33Å; Y566-E568 PolarHBondContact O-N 2.96Å; E568-L570 VanDerWaalsContact C-N 3.29Å; E568-L570 PolarHBondContact O-N 3.29Å; E568-I571 PolarHBondContact O-N 3.31Å; E568-L572 HydrophobicContact CG-CD1 3.99Å; E568-L572 WeakPolarHBondContact O-CB 3.23Å; E568-L572 WeakPolarHBondContact O-CG 3.46Å; E568-L572 PolarHBondContact O-N 2.89Å; E568-L584 HydrophobicContact CG-CD2 4.15Å |
| 569 | G | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R565 Y566 L572 S573 A581 | R565-G569 PolarHBondContact O-N 2.95Å; Y566-G569 PolarHBondContact O-N 3.36Å; G569-L572 PolarHBondContact O-N 3.28Å; G569-S573 WeakPolarHBondContact O-CB 3.34Å; G569-S573 PolarHBondContact O-N 3.25Å; G569-A581 WeakPolarHBondContact O-CB 3.41Å |
| 570 | L | 92.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.9 | -175.8 | 58.6 | 0 | 0 | 0 | 112.1 | V513 K514 M517 L532 Y566 N567 E568 S573 N574 | V513-L570 HydrophobicContact CG1-CB 4.18Å; K514-L570 HydrophobicContact CG-CD2 3.96Å; M517-L570 HydrophobicContact SD-CD2 4.46Å; L532-L570 HydrophobicContact CB-CD2 4.14Å; Y566-L570 WeakPolarHBondContact O-CB 3.44Å; Y566-L570 PolarHBondContact O-N 2.79Å; N567-L570 PolarHBondContact O-N 3.32Å; E568-L570 VanDerWaalsContact C-N 3.29Å; E568-L570 PolarHBondContact O-N 3.29Å; L570-S573 PolarHBondContact O-N 3.12Å; L570-S573 PolarHBondContact O-OG 3.06Å; L570-N574 PolarHBondContact O-ND2 3.14Å |
| 571 | I | 88.7 | Confident | 92.7 | Very high | 55 Ų | 55 | 25.1 Ų | 25.1 | 28% | 0.282 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.6 | -69.3 | 165.2 | 0 | 0 | 0 | 110.5 | G533 N567 E568 S573 N574 T575 | G533-I571 WeakPolarHBondContact O-CG1 3.39Å; N567-I571 WeakPolarHBondContact O-CG1 3.32Å; N567-I571 PolarHBondContact O-N 3.05Å; E568-I571 PolarHBondContact O-N 3.31Å; I571-S573 PolarHBondContact O-N 2.84Å; I571-N574 PolarHBondContact O-N 3.49Å; I571-T575 PolarHBondContact O-OG1 3.04Å |
| 572 | L | 89 | Confident | 92.8 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | -179.1 | -74.6 | 173.2 | 0 | 0 | 0 | 112 | E568 G569 N574 T575 I576 A581 L584 | E568-L572 HydrophobicContact CG-CD1 3.99Å; E568-L572 WeakPolarHBondContact O-CB 3.23Å; E568-L572 WeakPolarHBondContact O-CG 3.46Å; E568-L572 PolarHBondContact O-N 2.89Å; G569-L572 PolarHBondContact O-N 3.28Å; L572-N574 PolarHBondContact O-N 3.43Å; L572-T575 WeakPolarHBondContact CA-OG1 3.45Å; L572-T575 CarbonylContact O-C 3.59Å; L572-T575 PolarHBondContact O-N 3.45Å; L572-T575 PolarHBondContact O-OG1 2.88Å; L572-I576 HydrophobicContact CB-CD1 4.1Å; L572-I576 HydrophobicContact CB-CG1 3.96Å; L572-I576 HydrophobicContact CD2-CD1 4.06Å; L572-I576 HydrophobicContact CD2-CG1 4.27Å; L572-I576 HydrophobicContact CG-CD1 4.47Å; L572-I576 WeakPolarHBondContact O-CG1 3.48Å; L572-I576 PolarHBondContact O-N 3.21Å; L572-A581 HydrophobicContact CB-CB 4.32Å; L572-L584 HydrophobicContact CD1-CD2 3.41Å; L572-L584 VanDerWaalsContact CD1-CD2 3.41Å |
| 573 | S | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58 | -26 | 176.9 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | R504 G569 L570 I571 I576 N636 | R504-S573 PolarHBondContact NH2-O 3.2Å; G569-S573 WeakPolarHBondContact O-CB 3.34Å; G569-S573 PolarHBondContact O-N 3.25Å; L570-S573 PolarHBondContact O-N 3.12Å; L570-S573 PolarHBondContact O-OG 3.06Å; I571-S573 PolarHBondContact O-N 2.84Å; S573-I576 VanDerWaalsContact O-O 3.13Å; S573-N636 PolarHBondContact O-ND2 3.19Å |
| 574 | N | 87.3 | Confident | 92.4 | Very high | 54 Ų | 54 | 26.8 Ų | 26.8 | 29% | 0.289 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -11.6 | 177.4 | -73.3 | -63.1 | 0 | 0 | 0 | 114 | L570 I571 L572 S638 | L570-N574 PolarHBondContact O-ND2 3.14Å; I571-N574 PolarHBondContact O-N 3.49Å; L572-N574 PolarHBondContact O-N 3.43Å; N574-S638 PolarHBondContact O-OG 3.02Å |
| 575 | T | 86.6 | Confident | 92.3 | Very high | 28 Ų | 28 | 21.3 Ų | 21.3 | 17% | 0.172 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -27.1 | -175.5 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | I571 L572 Y744 V772 | I571-T575 PolarHBondContact O-OG1 3.04Å; L572-T575 WeakPolarHBondContact CA-OG1 3.45Å; L572-T575 CarbonylContact O-C 3.59Å; L572-T575 PolarHBondContact O-N 3.45Å; L572-T575 PolarHBondContact O-OG1 2.88Å; T575-Y744 WeakPolarHBondContact O-CE1 3.47Å; T575-Y744 VanDerWaalsContact O-CZ 3.28Å; T575-Y744 PolarHBondContact O-OH 3.18Å; T575-V772 HydrophobicContact CG2-CG1 4.27Å; T575-V772 HydrophobicContact CG2-CG2 4.33Å |
| 576 | I | 91.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -128.9 | -173.3 | 173.9 | 63.3 | 169.3 | 0 | 0 | 0 | 109.1 | L572 S573 D580 N636 T670 L671 | L572-I576 HydrophobicContact CB-CD1 4.1Å; L572-I576 HydrophobicContact CB-CG1 3.96Å; L572-I576 HydrophobicContact CD2-CD1 4.06Å; L572-I576 HydrophobicContact CD2-CG1 4.27Å; L572-I576 HydrophobicContact CG-CD1 4.47Å; L572-I576 WeakPolarHBondContact O-CG1 3.48Å; L572-I576 PolarHBondContact O-N 3.21Å; S573-I576 VanDerWaalsContact O-O 3.13Å; I576-D580 HydrophobicContact CD1-CB 3.59Å; I576-D580 HydrophobicContact CG1-CB 4.22Å; I576-N636 PolarHBondContact O-ND2 3.44Å; I576-T670 HydrophobicContact CD1-CG2 4.32Å; I576-L671 HydrophobicContact CG2-CD2 4.26Å; I576-L671 HydrophobicContact CG2-CG 4.22Å |
| 577 | R | 92.6 | Very high | 92 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | trans | -70 | 151.6 | -176.1 | -56.9 | 175.3 | -74.3 | -172.9 | 6.7 | 111 | C579 D580 A581 L639 E677 | R577-C579 WeakPolarHBondContact CB-SG 3.47Å; R577-C579 PolarHBondContact O-N 3.36Å; R577-D580 VanDerWaalsContact CB-OD2 3.29Å; R577-D580 WeakPolarHBondContact CB-OD2 3.41Å; R577-D580 IonicContact CZ-OD1 3.54Å; R577-D580 IonicContact CZ-OD2 3.64Å; R577-D580 PolarHBondContact N-OD2 3.09Å; R577-D580 IonicContact NE-OD1 3.68Å; R577-D580 PolarHBondContact NE-OD1 2.91Å; R577-D580 IonicContact NE-OD2 3.03Å; R577-D580 PolarHBondContact NE-OD2 2.73Å; R577-D580 IonicContact NH2-OD1 3.78Å; R577-D580 PolarHBondContact NH2-OD1 3.42Å; R577-D580 IonicContact NH2-OD2 2.69Å; R577-D580 PolarHBondContact O-N 2.81Å; R577-A581 PolarHBondContact O-N 3.04Å; R577-A581 VanDerWaalsContact O-N 3.12Å; R577-L639 HydrophobicContact CB-CD1 4.43Å; R577-L639 HydrophobicContact CG-CD1 3.62Å; R577-E677 IonicContact CZ-OE2 3.52Å; R577-E677 IonicContact NH1-OE2 2.93Å; R577-E677 PolarHBondContact NH1-OE2 3.39Å; R577-E677 IonicContact NH2-OE2 3.79Å; R577-E677 PolarHBondContact NH2-OE2 3.31Å | ||
| 578 | M | 94.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -36 | 173.3 | -65.3 | -175.7 | -71.6 | 0 | 0 | 111.8 | R504 F509 D580 A581 L582 L628 A629 | R504-M578 PolarHBondContact NH1-SD 3.47Å; F509-M578 HydrophobicContact CB-CG 4.32Å; F509-M578 HydrophobicContact CB-SD 3.38Å; F509-M578 WeakPolarHBondContact CB-SD 3.48Å; F509-M578 HydrophobicContact CD1-CB 4.5Å; F509-M578 HydrophobicContact CD1-CG 4.24Å; F509-M578 HydrophobicContact CD1-SD 4.37Å; F509-M578 HydrophobicContact CD2-CB 4.13Å; F509-M578 HydrophobicContact CD2-CG 4.44Å; F509-M578 HydrophobicContact CD2-SD 4.21Å; F509-M578 HydrophobicContact CE2-CB 4.27Å; F509-M578 HydrophobicContact CG-CB 4.25Å; F509-M578 HydrophobicContact CG-CG 4.08Å; F509-M578 HydrophobicContact CG-SD 3.75Å; M578-D580 VanDerWaalsContact C-N 3.31Å; M578-D580 PolarHBondContact O-N 2.85Å; M578-A581 PolarHBondContact O-N 3.35Å; M578-L582 WeakPolarHBondContact O-CB 3.27Å; M578-L582 PolarHBondContact O-N 2.81Å; M578-L628 WeakPolarHBondContact CE-O 3.48Å; M578-A629 HydrophobicContact CB-CB 3.96Å |
| 579 | C | 93.1 | Very high | 91.8 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 33% | 0.331 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 176 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | R577 L582 S583 A629 | R577-C579 WeakPolarHBondContact CB-SG 3.47Å; R577-C579 PolarHBondContact O-N 3.36Å; C579-L582 PolarHBondContact O-N 3.43Å; C579-S583 WeakPolarHBondContact O-CB 3.36Å; C579-S583 PolarHBondContact O-N 3Å; C579-A629 HydrophobicContact CB-CB 4.4Å |
| 580 | D | 93.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.059 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -42.5 | 177.2 | -57.2 | -37.7 | 0 | 0 | 0 | 110.6 | I576 R577 M578 L582 S583 L584 T670 | I576-D580 HydrophobicContact CD1-CB 3.59Å; I576-D580 HydrophobicContact CG1-CB 4.22Å; R577-D580 VanDerWaalsContact CB-OD2 3.29Å; R577-D580 WeakPolarHBondContact CB-OD2 3.41Å; R577-D580 IonicContact CZ-OD1 3.54Å; R577-D580 IonicContact CZ-OD2 3.64Å; R577-D580 PolarHBondContact N-OD2 3.09Å; R577-D580 IonicContact NE-OD1 3.68Å; R577-D580 PolarHBondContact NE-OD1 2.91Å; R577-D580 IonicContact NE-OD2 3.03Å; R577-D580 PolarHBondContact NE-OD2 2.73Å; R577-D580 IonicContact NH2-OD1 3.78Å; R577-D580 PolarHBondContact NH2-OD1 3.42Å; R577-D580 IonicContact NH2-OD2 2.69Å; R577-D580 PolarHBondContact O-N 2.81Å; M578-D580 VanDerWaalsContact C-N 3.31Å; M578-D580 PolarHBondContact O-N 2.85Å; D580-L582 VanDerWaalsContact C-N 3.33Å; D580-L582 PolarHBondContact O-N 2.99Å; D580-S583 WeakPolarHBondContact O-CB 3.43Å; D580-S583 PolarHBondContact O-N 3.48Å; D580-L584 PolarHBondContact O-N 3.44Å; D580-T670 HydrophobicContact CB-CG2 3.86Å |
| 581 | A | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F509 G569 L572 R577 M578 L584 L585 | F509-A581 HydrophobicContact CE1-CB 4.43Å; F509-A581 HydrophobicContact CZ-CB 4.45Å; G569-A581 WeakPolarHBondContact O-CB 3.41Å; L572-A581 HydrophobicContact CB-CB 4.32Å; R577-A581 PolarHBondContact O-N 3.04Å; R577-A581 VanDerWaalsContact O-N 3.12Å; M578-A581 PolarHBondContact O-N 3.35Å; A581-L584 WeakPolarHBondContact O-CB 3.41Å; A581-L584 PolarHBondContact O-N 3.19Å; A581-L585 WeakPolarHBondContact O-CG 3.4Å; A581-L585 PolarHBondContact O-N 3.37Å |
| 582 | L | 95.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.9 | -40.2 | 175.1 | -179 | 58.4 | 0 | 0 | 0 | 111.9 | F509 M578 C579 D580 L584 L585 N586 F618 L625 E626 A629 | F509-L582 HydrophobicContact CE2-CB 4.17Å; F509-L582 HydrophobicContact CZ-CB 4.21Å; M578-L582 WeakPolarHBondContact O-CB 3.27Å; M578-L582 PolarHBondContact O-N 2.81Å; C579-L582 PolarHBondContact O-N 3.43Å; D580-L582 VanDerWaalsContact C-N 3.33Å; D580-L582 PolarHBondContact O-N 2.99Å; L582-L584 VanDerWaalsContact C-N 3.26Å; L582-L584 PolarHBondContact O-N 3.05Å; L582-L585 PolarHBondContact O-N 2.63Å; L582-L585 VanDerWaalsContact O-N 3.16Å; L582-N586 WeakPolarHBondContact O-CB 3.38Å; L582-N586 PolarHBondContact O-N 3.33Å; L582-N586 PolarHBondContact O-ND2 3.05Å; L582-F618 HydrophobicContact CD1-CE2 4.39Å; L582-F618 HydrophobicContact CD1-CZ 4.23Å; L582-L625 HydrophobicContact CD1-CB 3.91Å; L582-L625 HydrophobicContact CD1-CD1 4.1Å; L582-L625 HydrophobicContact CD2-CB 4.12Å; L582-E626 HydrophobicContact CD2-CB 4.29Å; L582-E626 HydrophobicContact CD2-CG 3.64Å; L582-A629 HydrophobicContact CD2-CB 4Å |
| 583 | S | 92.6 | Very high | 91 | Very high | 68 Ų | 68 | 32.8 Ų | 32.8 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.6 | -41.5 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | C579 D580 L585 N586 K587 | C579-S583 WeakPolarHBondContact O-CB 3.36Å; C579-S583 PolarHBondContact O-N 3Å; D580-S583 WeakPolarHBondContact O-CB 3.43Å; D580-S583 PolarHBondContact O-N 3.48Å; S583-L585 PolarHBondContact O-N 3.48Å; S583-N586 PolarHBondContact O-N 3.27Å; S583-K587 WeakPolarHBondContact O-CB 3.33Å; S583-K587 PolarHBondContact O-N 2.86Å |
| 584 | L | 91.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.4 | -172.3 | 71.6 | 0 | 0 | 0 | 112.6 | R565 E568 L572 D580 A581 L582 F588 | R565-L584 VanDerWaalsContact NH1-CD1 3.27Å; R565-L584 VanDerWaalsContact NH1-CG 3.33Å; E568-L584 HydrophobicContact CG-CD2 4.15Å; L572-L584 HydrophobicContact CD1-CD2 3.41Å; L572-L584 VanDerWaalsContact CD1-CD2 3.41Å; D580-L584 PolarHBondContact O-N 3.44Å; A581-L584 WeakPolarHBondContact O-CB 3.41Å; A581-L584 PolarHBondContact O-N 3.19Å; L582-L584 VanDerWaalsContact C-N 3.26Å; L582-L584 PolarHBondContact O-N 3.05Å; L584-F588 PolarHBondContact O-N 3.46Å; L584-F588 VanDerWaalsContact O-N 3.08Å |
| 585 | L | 94.5 | Very high | 90 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 178.2 | -64.4 | 175.9 | 0 | 0 | 0 | 111.5 | R565 Y566 A581 L582 S583 K587 F588 H589 F618 | R565-L585 HydrophobicContact CG-CD2 4.2Å; Y566-L585 HydrophobicContact CD1-CD1 3.85Å; Y566-L585 HydrophobicContact CD1-CD2 3.89Å; Y566-L585 HydrophobicContact CE1-CD1 3.99Å; Y566-L585 HydrophobicContact CE1-CD2 4.23Å; Y566-L585 HydrophobicContact CG-CD2 4.41Å; A581-L585 WeakPolarHBondContact O-CG 3.4Å; A581-L585 PolarHBondContact O-N 3.37Å; L582-L585 PolarHBondContact O-N 2.63Å; L582-L585 VanDerWaalsContact O-N 3.16Å; S583-L585 PolarHBondContact O-N 3.48Å; L585-K587 PolarHBondContact O-N 2.79Å; L585-F588 WeakPolarHBondContact O-CB 3.47Å; L585-F588 PolarHBondContact O-N 3.42Å; L585-H589 PolarHBondContact O-CD2 2.87Å; L585-H589 VanDerWaalsContact O-CD2 3.25Å; L585-H589 PolarHBondContact O-N 2.66Å; L585-F618 HydrophobicContact CB-CE2 4.12Å; L585-F618 HydrophobicContact CB-CZ 4.25Å |
| 586 | N | 93.8 | Very high | 89.6 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.3 | -51.8 | 175.3 | -83.9 | -34 | 0 | 0 | 0 | 111 | L582 S583 F588 H589 E590 F618 K622 | L582-N586 WeakPolarHBondContact O-CB 3.38Å; L582-N586 PolarHBondContact O-N 3.33Å; L582-N586 PolarHBondContact O-ND2 3.05Å; S583-N586 PolarHBondContact O-N 3.27Å; N586-F588 VanDerWaalsContact C-N 3.28Å; N586-F588 PolarHBondContact O-N 3.05Å; N586-H589 PolarHBondContact O-N 3.37Å; N586-H589 VanDerWaalsContact O-N 3.13Å; N586-E590 WeakPolarHBondContact O-CB 3.44Å; N586-E590 WeakPolarHBondContact O-CG 3.11Å; N586-E590 PolarHBondContact O-N 2.84Å; N586-F618 VanDerWaalsContact OD1-CE1 3.24Å; N586-F618 WeakPolarHBondContact OD1-CE1 3.33Å; N586-F618 WeakPolarHBondContact OD1-CZ 3.31Å; N586-K622 VanDerWaalsContact OD1-CE 3.25Å; N586-K622 WeakPolarHBondContact OD1-CE 3.46Å; N586-K622 PolarHBondContact OD1-NZ 3.41Å |
| 587 | K | 90.4 | Very high | 88.6 | Confident | 113 Ų | 113 | 41.6 Ų | 41.6 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.6 | -42.5 | 178.3 | -176.9 | 174.5 | 178.4 | 175.2 | 0 | 111.6 | S583 L585 E590 E591 | S583-K587 WeakPolarHBondContact O-CB 3.33Å; S583-K587 PolarHBondContact O-N 2.86Å; L585-K587 PolarHBondContact O-N 2.79Å; K587-E590 PolarHBondContact O-N 2.68Å; K587-E591 WeakPolarHBondContact CE-OE1 3.19Å; K587-E591 WeakPolarHBondContact O-CB 3.34Å; K587-E591 VanDerWaalsContact O-CG 3.28Å; K587-E591 WeakPolarHBondContact O-CG 3.37Å; K587-E591 PolarHBondContact O-N 2.84Å |
| 588 | F | 91.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.5 | 172.7 | -103.1 | 0 | 0 | 0 | 112.3 | E561 F562 R565 L584 L585 N586 E591 Q592 | E561-F588 HydrophobicContact CG-CE2 4.5Å; E561-F588 HydrophobicContact CG-CZ 4.28Å; F562-F588 AromaticContact CD1-CE1 3.8Å; F562-F588 HydrophobicContact CD1-CE1 3.8Å; F562-F588 AromaticContact CD2-CE1 3.95Å; F562-F588 HydrophobicContact CD2-CE1 3.95Å; F562-F588 AromaticContact CD2-CZ 3.95Å; F562-F588 HydrophobicContact CD2-CZ 3.95Å; F562-F588 AromaticContact CE1-CE1 3.8Å; F562-F588 HydrophobicContact CE1-CE1 3.8Å; F562-F588 AromaticContact CE2-CE1 3.96Å; F562-F588 HydrophobicContact CE2-CE1 3.96Å; F562-F588 AromaticContact CE2-CZ 3.98Å; F562-F588 HydrophobicContact CE2-CZ 3.98Å; F562-F588 AromaticContact CG-CE1 3.89Å; F562-F588 HydrophobicContact CG-CE1 3.89Å; F562-F588 HydrophobicContact CG-CZ 4.28Å; F562-F588 AromaticContact CZ-CE1 3.89Å; F562-F588 HydrophobicContact CZ-CE1 3.89Å; F562-F588 HydrophobicContact CZ-CZ 4.32Å; R565-F588 HydrophobicContact CB-CD1 4.27Å; R565-F588 HydrophobicContact CB-CE1 4.2Å; R565-F588 HydrophobicContact CB-CG 4.47Å; R565-F588 HydrophobicContact CB-CZ 4.32Å; R565-F588 HydrophobicContact CG-CB 4.02Å; R565-F588 HydrophobicContact CG-CD1 3.83Å; R565-F588 HydrophobicContact CG-CD2 3.9Å; R565-F588 HydrophobicContact CG-CE1 4.23Å; R565-F588 HydrophobicContact CG-CE2 4.27Å; R565-F588 HydrophobicContact CG-CG 3.64Å; R565-F588 HydrophobicContact CG-CZ 4.43Å; L584-F588 PolarHBondContact O-N 3.46Å; L584-F588 VanDerWaalsContact O-N 3.08Å; L585-F588 WeakPolarHBondContact O-CB 3.47Å; L585-F588 PolarHBondContact O-N 3.42Å; N586-F588 VanDerWaalsContact C-N 3.28Å; N586-F588 PolarHBondContact O-N 3.05Å; F588-E591 PolarHBondContact O-N 2.86Å; F588-Q592 HydrophobicContact CD1-CG 4.48Å; F588-Q592 HydrophobicContact CD2-CG 4.42Å; F588-Q592 HydrophobicContact CE1-CG 4.12Å; F588-Q592 HydrophobicContact CE2-CG 4.08Å; F588-Q592 HydrophobicContact CZ-CG 3.92Å; F588-Q592 WeakPolarHBondContact O-CG 3.19Å; F588-Q592 PolarHBondContact O-N 2.89Å |
| 589 | H | 92.1 | Very high | 85 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.7 | -83.2 | -86.2 | 0 | 0 | 0 | 112.3 | F562 Y566 L585 N586 E591 Q592 I593 F615 F618 | F562-H589 AromaticContact CD1-CE1 3.97Å; F562-H589 AromaticContact CE1-CE1 3.46Å; F562-H589 VanDerWaalsContact CE1-CE1 3.46Å; F562-H589 WeakPolarHBondContact CE1-CE1 3.44Å; F562-H589 AromaticContact CE1-ND1 3.81Å; Y566-H589 AromaticContact CZ-NE2 3.69Å; Y566-H589 PolarHBondContact OH-NE2 2.92Å; L585-H589 PolarHBondContact O-CD2 2.87Å; L585-H589 VanDerWaalsContact O-CD2 3.25Å; L585-H589 PolarHBondContact O-N 2.66Å; N586-H589 PolarHBondContact O-N 3.37Å; N586-H589 VanDerWaalsContact O-N 3.13Å; H589-E591 VanDerWaalsContact C-N 3.31Å; H589-E591 PolarHBondContact O-N 3.12Å; H589-Q592 PolarHBondContact O-N 3.13Å; H589-Q592 VanDerWaalsContact O-N 3.15Å; H589-I593 VanDerWaalsContact O-CG1 3.3Å; H589-I593 WeakPolarHBondContact O-CG1 3.47Å; H589-I593 PolarHBondContact O-N 3.11Å; H589-F615 AromaticContact ND1-CD1 3.88Å; H589-F618 HydrophobicContact CB-CD1 4.1Å; H589-F618 HydrophobicContact CB-CE1 4.16Å; H589-F618 AromaticContact CD2-CD1 3.42Å; H589-F618 VanDerWaalsContact CD2-CD1 3.42Å; H589-F618 WeakPolarHBondContact CD2-CD1 3.36Å; H589-F618 AromaticContact CD2-CD2 3.79Å; H589-F618 AromaticContact CD2-CE1 3.63Å; H589-F618 AromaticContact CD2-CE2 3.98Å; H589-F618 AromaticContact CD2-CG 3.5Å; H589-F618 VanDerWaalsContact CD2-CG 3.5Å; H589-F618 WeakPolarHBondContact CD2-CG 3.32Å; H589-F618 AromaticContact CD2-CZ 3.9Å; H589-F618 WeakPolarHBondContact CE1-CB 3.5Å; H589-F618 AromaticContact CE1-CD1 3.9Å; H589-F618 AromaticContact CE1-CG 3.54Å; H589-F618 AromaticContact CG-CD1 3.59Å; H589-F618 AromaticContact CG-CE1 3.96Å; H589-F618 AromaticContact CG-CG 3.98Å; H589-F618 AromaticContact ND1-CD1 3.92Å; H589-F618 WeakPolarHBondContact NE2-CB 3.25Å; H589-F618 AromaticContact NE2-CD1 3.65Å; H589-F618 AromaticContact NE2-CD2 3.47Å; H589-F618 WeakPolarHBondContact NE2-CD2 3.48Å; H589-F618 AromaticContact NE2-CG 3.21Å; H589-F618 WeakPolarHBondContact NE2-CG 3.37Å |
| 590 | E | 89.2 | Confident | 82.8 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.5 | -73.6 | 170.8 | -164.4 | 0 | 0 | 111.6 | N586 K587 I593 K594 | N586-E590 WeakPolarHBondContact O-CB 3.44Å; N586-E590 WeakPolarHBondContact O-CG 3.11Å; N586-E590 PolarHBondContact O-N 2.84Å; K587-E590 PolarHBondContact O-N 2.68Å; E590-I593 PolarHBondContact O-N 3Å; E590-K594 VanDerWaalsContact O-CB 3.29Å; E590-K594 WeakPolarHBondContact O-CB 3.26Å; E590-K594 VanDerWaalsContact O-CG 3.23Å; E590-K594 WeakPolarHBondContact O-CG 3.4Å; E590-K594 PolarHBondContact O-N 3.31Å |
| 591 | E | 85 | Confident | 80.6 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.5 | -74.9 | 171.2 | -175.6 | 0 | 0 | 112 | K587 F588 H589 K595 | K587-E591 WeakPolarHBondContact CE-OE1 3.19Å; K587-E591 WeakPolarHBondContact O-CB 3.34Å; K587-E591 VanDerWaalsContact O-CG 3.28Å; K587-E591 WeakPolarHBondContact O-CG 3.37Å; K587-E591 PolarHBondContact O-N 2.84Å; F588-E591 PolarHBondContact O-N 2.86Å; H589-E591 VanDerWaalsContact C-N 3.31Å; H589-E591 PolarHBondContact O-N 3.12Å; E591-K595 VanDerWaalsContact O-CG 3.24Å; E591-K595 WeakPolarHBondContact O-CG 3.23Å; E591-K595 PolarHBondContact O-N 3.07Å |
| 592 | Q | 86.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 176.9 | -63.8 | -60.2 | -18 | 0 | 0 | 112.3 | E561 F562 F588 H589 K595 F615 | E561-Q592 PolarHBondContact OE1-NE2 3.17Å; F562-Q592 HydrophobicContact CE2-CG 4.35Å; F562-Q592 HydrophobicContact CZ-CB 4.48Å; F562-Q592 HydrophobicContact CZ-CG 4.12Å; F588-Q592 HydrophobicContact CD1-CG 4.48Å; F588-Q592 HydrophobicContact CD2-CG 4.42Å; F588-Q592 HydrophobicContact CE1-CG 4.12Å; F588-Q592 HydrophobicContact CE2-CG 4.08Å; F588-Q592 HydrophobicContact CZ-CG 3.92Å; F588-Q592 WeakPolarHBondContact O-CG 3.19Å; F588-Q592 PolarHBondContact O-N 2.89Å; H589-Q592 PolarHBondContact O-N 3.13Å; H589-Q592 VanDerWaalsContact O-N 3.15Å; Q592-K595 VanDerWaalsContact NE2-NZ 3.13Å; Q592-K595 WeakPolarHBondContact O-CB 3.43Å; Q592-K595 PolarHBondContact O-N 2.91Å; Q592-F615 HydrophobicContact CB-CE1 3.86Å; Q592-F615 HydrophobicContact CB-CZ 4.08Å |
| 593 | I | 85.8 | Confident | 76.3 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.4 | -46.3 | 176.7 | -67.6 | 165.3 | 0 | 0 | 0 | 110.6 | H589 E590 K595 K596 T597 F615 | H589-I593 VanDerWaalsContact O-CG1 3.3Å; H589-I593 WeakPolarHBondContact O-CG1 3.47Å; H589-I593 PolarHBondContact O-N 3.11Å; E590-I593 PolarHBondContact O-N 3Å; I593-K595 PolarHBondContact O-N 3.15Å; I593-K596 WeakPolarHBondContact O-CA 3.4Å; I593-K596 WeakPolarHBondContact O-CB 3.33Å; I593-K596 PolarHBondContact O-N 2.65Å; I593-T597 PolarHBondContact O-N 2.84Å; I593-T597 PolarHBondContact O-OG1 2.99Å; I593-F615 HydrophobicContact CG1-CD1 4.13Å; I593-F615 HydrophobicContact CG1-CD2 4.3Å; I593-F615 HydrophobicContact CG1-CE1 4Å; I593-F615 HydrophobicContact CG1-CE2 4.17Å; I593-F615 HydrophobicContact CG1-CG 4.29Å; I593-F615 HydrophobicContact CG1-CZ 4.03Å |
| 594 | K | 81.4 | Confident | 74.6 | Confident | 142 Ų | 142 | 78.2 Ų | 78.2 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.8 | -33.8 | 174.9 | -77.7 | 176.4 | 179.8 | -179.6 | 0 | 111.7 | E590 K596 T597 | E590-K594 VanDerWaalsContact O-CB 3.29Å; E590-K594 WeakPolarHBondContact O-CB 3.26Å; E590-K594 VanDerWaalsContact O-CG 3.23Å; E590-K594 WeakPolarHBondContact O-CG 3.4Å; E590-K594 PolarHBondContact O-N 3.31Å; K594-K596 PolarHBondContact O-N 2.96Å; K594-K596 VanDerWaalsContact O-N 3.1Å; K594-T597 PolarHBondContact O-N 3.32Å |
| 595 | K | 77.6 | Confident | 73.6 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11.9 | 173.9 | -75.3 | 170.9 | -163 | 170.6 | 0 | 114.1 | E591 Q592 I593 M605 R880 | E591-K595 VanDerWaalsContact O-CG 3.24Å; E591-K595 WeakPolarHBondContact O-CG 3.23Å; E591-K595 PolarHBondContact O-N 3.07Å; Q592-K595 VanDerWaalsContact NE2-NZ 3.13Å; Q592-K595 WeakPolarHBondContact O-CB 3.43Å; Q592-K595 PolarHBondContact O-N 2.91Å; I593-K595 PolarHBondContact O-N 3.15Å; K595-M605 VanDerWaalsContact O-SD 3.42Å; K595-R880 VanDerWaalsContact O-CZ 3.25Å; K595-R880 PolarHBondContact O-NH1 3.47Å; K595-R880 PolarHBondContact O-NH2 3.07Å |
| 596 | K | 77.5 | Confident | 72.4 | Confident | 5 Ų | 5 | 86.3 Ų | 86.3 | 2% | 0.022 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -15.2 | -178.6 | -56.6 | -63.8 | -176.5 | 167.5 | 0 | 114 | I593 K594 M605 I607 E611 C903 | I593-K596 WeakPolarHBondContact O-CA 3.4Å; I593-K596 WeakPolarHBondContact O-CB 3.33Å; I593-K596 PolarHBondContact O-N 2.65Å; K594-K596 PolarHBondContact O-N 2.96Å; K594-K596 VanDerWaalsContact O-N 3.1Å; K596-M605 HydrophobicContact CD-CB 4.33Å; K596-I607 HydrophobicContact CB-CG1 4.15Å; K596-I607 HydrophobicContact CG-CG1 4.33Å; K596-E611 VanDerWaalsContact CE-CD 3.47Å; K596-E611 WeakPolarHBondContact CE-OE1 3.44Å; K596-E611 WeakPolarHBondContact CE-OE2 3.49Å; K596-E611 VanDerWaalsContact NZ-CD 3.31Å; K596-E611 IonicContact NZ-OE1 3.82Å; K596-E611 PolarHBondContact NZ-OE1 3.44Å; K596-E611 IonicContact NZ-OE2 3.31Å; K596-E611 PolarHBondContact NZ-OE2 3.32Å; K596-C903 PolarHBondContact NZ-O 2.99Å |
| 597 | T | 69.3 | Low | 71.8 | Confident | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -121.4 | 46.5 | -167.1 | 41 | 0 | 0 | 0 | 0 | 112.3 | I593 K594 | I593-T597 PolarHBondContact O-N 2.84Å; I593-T597 PolarHBondContact O-OG1 2.99Å; K594-T597 PolarHBondContact O-N 3.32Å |
| 598 | S | 58.8 | Low | 71.6 | Confident | 33 Ų | 33 | 84.1 Ų | 84.1 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | trans | -51.7 | 151.8 | -176.8 | 41.6 | 0 | 0 | 0 | 0 | 113.8 | D600 | S598-D600 VanDerWaalsContact C-N 3.26Å; S598-D600 PolarHBondContact O-N 2.97Å | ||
| 599 | Q | 52.5 | Low | 71.5 | Confident | 174 Ų | 174 | 90.8 Ų | 90.8 | 81% | 0.813 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -64.1 | -20.6 | -173.4 | -76.6 | 173.9 | -38.3 | 0 | 0 | 115.1 | ||
| 600 | D | 48.5 | Very low | 71.5 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -86.8 | 112.7 | 171.3 | -68.6 | -37.3 | 0 | 0 | 0 | 109.9 | S598 E602 Q603 | S598-D600 VanDerWaalsContact C-N 3.26Å; S598-D600 PolarHBondContact O-N 2.97Å; D600-E602 PolarHBondContact O-N 3.06Å; D600-Q603 PolarHBondContact O-N 3.42Å |
| 601 | E | 46.8 | Very low | 71.6 | Confident | 183 Ų | 183 | 86.8 Ų | 86.8 | 86% | 0.855 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -10.3 | -174.5 | -64.8 | -176 | 156.5 | 0 | 0 | 114.4 | ||
| 602 | E | 47.2 | Very low | 71.9 | Confident | 190 Ų | 190 | 89.2 Ų | 89.2 | 89% | 0.888 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.8 | -174.9 | -69.4 | -171.6 | 159.6 | 0 | 0 | 115.4 | D600 | D600-E602 PolarHBondContact O-N 3.06Š|
| 603 | Q | 51.3 | Low | 72.4 | Confident | 114 Ų | 114 | 91.7 Ų | 91.7 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | trans | -125.5 | 64 | -178.9 | -65.8 | -172.8 | 9.5 | 0 | 0 | 113 | D600 M605 I878 | D600-Q603 PolarHBondContact O-N 3.42Å; Q603-M605 PolarHBondContact O-N 3.45Å; Q603-I878 VanDerWaalsContact OE1-CG2 3.24Å | ||
| 604 | N | 55.3 | Low | 72.9 | Confident | 126 Ų | 126 | 88.4 Ų | 88.4 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | trans | -67.2 | 114.8 | 170.6 | -85.6 | -40.3 | 0 | 0 | 0 | 111 | ||||
| 605 | M | 70 | Confident | 73.5 | Confident | 17 Ų | 17 | 82.8 Ų | 82.8 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 139.7 | 177.2 | -50.9 | -160.4 | 69.6 | 0 | 0 | 110.7 | K595 K596 Q603 I607 I878 R880 C900 S901 G902 C903 G904 | K595-M605 VanDerWaalsContact O-SD 3.42Å; K596-M605 HydrophobicContact CD-CB 4.33Å; Q603-M605 PolarHBondContact O-N 3.45Å; M605-I607 PolarHBondContact O-N 3.49Å; M605-I607 VanDerWaalsContact O-N 3.17Å; M605-I878 HydrophobicContact SD-CD1 4.16Å; M605-R880 PolarHBondContact SD-NH2 2.99Å; M605-C900 WeakPolarHBondContact CE-O 3.31Å; M605-S901 VanDerWaalsContact CE-C 3.48Å; M605-S901 WeakPolarHBondContact CE-O 3.15Å; M605-G902 WeakPolarHBondContact CE-O 3.22Å; M605-C903 VanDerWaalsContact CE-CA 3.46Å; M605-G904 WeakPolarHBondContact SD-CA 3.34Å |
| 606 | E | 69.9 | Low | 74.3 | Confident | 167 Ų | 167 | 84.4 Ų | 84.4 | 78% | 0.78 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 118.5 | 179.4 | -164.8 | 175.7 | -172.9 | 0 | 0 | 111 | T608 | E606-T608 PolarHBondContact O-N 2.94Š|
| 607 | I | 82.1 | Confident | 75.2 | Confident | 58 Ų | 58 | 85.5 Ų | 85.5 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 117.2 | 170.4 | -60.6 | 174.6 | 0 | 0 | 0 | 107.4 | K596 M605 E611 R612 F615 | K596-I607 HydrophobicContact CB-CG1 4.15Å; K596-I607 HydrophobicContact CG-CG1 4.33Å; M605-I607 PolarHBondContact O-N 3.49Å; M605-I607 VanDerWaalsContact O-N 3.17Å; I607-E611 HydrophobicContact CG2-CB 3.88Å; I607-R612 HydrophobicContact CG2-CB 4.14Å; I607-R612 PolarHBondContact O-NH2 2.98Å; I607-F615 HydrophobicContact CG2-CD2 4.41Å; I607-F615 HydrophobicContact CG2-CE2 4.22Å |
| 608 | T | 85.8 | Confident | 76.5 | Confident | 32 Ų | 32 | 82.5 Ų | 82.5 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 159.7 | 179.2 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | E606 T610 E611 R612 | E606-T608 PolarHBondContact O-N 2.94Å; T608-T610 VanDerWaalsContact C-N 3.27Å; T608-T610 PolarHBondContact O-N 2.84Å; T608-E611 PolarHBondContact N-OE2 3.29Å; T608-E611 PolarHBondContact O-N 3.15Å; T608-E611 WeakPolarHBondContact OG1-CB 3.36Å; T608-E611 WeakPolarHBondContact OG1-CG 3.27Å; T608-E611 PolarHBondContact OG1-N 3.03Å; T608-E611 PolarHBondContact OG1-OE2 3.09Å; T608-R612 WeakPolarHBondContact O-CB 3.14Å; T608-R612 PolarHBondContact O-N 2.76Å |
| 609 | E | 89.1 | Confident | 78.2 | Confident | 152 Ų | 152 | 88.1 Ų | 88.1 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.2 | -43.6 | 175 | -172.2 | -179.1 | 176.1 | 0 | 0 | 111.8 | R612 F613 | E609-R612 PolarHBondContact O-N 2.84Å; E609-F613 WeakPolarHBondContact O-CB 3.49Å; E609-F613 PolarHBondContact O-N 2.73Å |
| 610 | T | 91.6 | Very high | 80.3 | Confident | 12 Ų | 12 | 85.6 Ų | 85.6 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.5 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | T555 T608 F613 L614 | T555-T610 HydrophobicContact CG2-CG2 4.02Å; T555-T610 PolarHBondContact OG1-OG1 2.89Å; T608-T610 VanDerWaalsContact C-N 3.27Å; T608-T610 PolarHBondContact O-N 2.84Å; T610-F613 WeakPolarHBondContact O-CB 3.47Å; T610-F613 PolarHBondContact O-N 2.77Å; T610-L614 HydrophobicContact CG2-CD1 4.12Å; T610-L614 VanDerWaalsContact O-CG 3.24Å; T610-L614 WeakPolarHBondContact O-CG 3.38Å; T610-L614 PolarHBondContact O-N 3.46Å |
| 611 | E | 91.1 | Very high | 82.5 | Confident | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.6 | -73.1 | 164 | 152.4 | 0 | 0 | 111.5 | V558 K596 I607 T608 F613 L614 F615 H847 | V558-E611 HydrophobicContact CG1-CG 4.32Å; K596-E611 VanDerWaalsContact CE-CD 3.47Å; K596-E611 WeakPolarHBondContact CE-OE1 3.44Å; K596-E611 WeakPolarHBondContact CE-OE2 3.49Å; K596-E611 VanDerWaalsContact NZ-CD 3.31Å; K596-E611 IonicContact NZ-OE1 3.82Å; K596-E611 PolarHBondContact NZ-OE1 3.44Å; K596-E611 IonicContact NZ-OE2 3.31Å; K596-E611 PolarHBondContact NZ-OE2 3.32Å; I607-E611 HydrophobicContact CG2-CB 3.88Å; T608-E611 PolarHBondContact N-OE2 3.29Å; T608-E611 PolarHBondContact O-N 3.15Å; T608-E611 WeakPolarHBondContact OG1-CB 3.36Å; T608-E611 WeakPolarHBondContact OG1-CG 3.27Å; T608-E611 PolarHBondContact OG1-N 3.03Å; T608-E611 PolarHBondContact OG1-OE2 3.09Å; E611-F613 VanDerWaalsContact C-N 3.33Å; E611-F613 PolarHBondContact O-N 2.85Å; E611-L614 PolarHBondContact O-N 3.39Å; E611-F615 HydrophobicContact CB-CE2 3.99Å; E611-F615 HydrophobicContact CB-CZ 4.27Å; E611-F615 VanDerWaalsContact O-CD2 3.25Å; E611-F615 WeakPolarHBondContact O-CD2 3.21Å; E611-F615 WeakPolarHBondContact O-CG 3.28Å; E611-F615 PolarHBondContact O-N 3.21Å; E611-H847 IonicContact OE1-CE1 2.75Å; E611-H847 IonicContact OE1-NE2 2.96Å |
| 612 | R | 92.6 | Very high | 84.8 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 50% | 0.498 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176 | -171.1 | -179.4 | -63 | 124.9 | 5.7 | 111.4 | I607 T608 E609 N616 | I607-R612 HydrophobicContact CG2-CB 4.14Å; I607-R612 PolarHBondContact O-NH2 2.98Å; T608-R612 WeakPolarHBondContact O-CB 3.14Å; T608-R612 PolarHBondContact O-N 2.76Å; E609-R612 PolarHBondContact O-N 2.84Å; R612-N616 WeakPolarHBondContact O-CB 3.34Å; R612-N616 VanDerWaalsContact O-CG 3.3Å; R612-N616 PolarHBondContact O-N 3.41Å; R612-N616 PolarHBondContact O-ND2 2.91Å |
| 613 | F | 96.2 | Very high | 87.1 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.7 | -49.9 | 173.3 | 166.1 | -102.4 | 0 | 0 | 0 | 111.4 | A519 I520 H523 E609 T610 E611 F615 N616 L617 | A519-F613 HydrophobicContact CB-CZ 4.42Å; I520-F613 HydrophobicContact CG1-CE1 4.48Å; H523-F613 HydrophobicContact CB-CD1 4.12Å; H523-F613 HydrophobicContact CB-CE1 3.51Å; H523-F613 HydrophobicContact CB-CZ 3.81Å; H523-F613 AromaticContact CD2-CD1 3.86Å; H523-F613 AromaticContact CG-CD1 3.65Å; H523-F613 AromaticContact CG-CE1 3.59Å; H523-F613 AromaticContact ND1-CD1 3.75Å; H523-F613 AromaticContact ND1-CE1 3.97Å; H523-F613 AromaticContact ND1-CG 3.86Å; E609-F613 WeakPolarHBondContact O-CB 3.49Å; E609-F613 PolarHBondContact O-N 2.73Å; T610-F613 WeakPolarHBondContact O-CB 3.47Å; T610-F613 PolarHBondContact O-N 2.77Å; E611-F613 VanDerWaalsContact C-N 3.33Å; E611-F613 PolarHBondContact O-N 2.85Å; F613-F615 PolarHBondContact O-N 2.98Å; F613-N616 PolarHBondContact O-N 3.45Å; F613-L617 HydrophobicContact CE1-CD2 4.14Å; F613-L617 HydrophobicContact CZ-CD2 3.92Å; F613-L617 VanDerWaalsContact O-CB 3.24Å; F613-L617 WeakPolarHBondContact O-CB 3.06Å; F613-L617 PolarHBondContact O-N 3.05Å |
| 614 | L | 95.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | -178.2 | -69.6 | 166.6 | 0 | 0 | 0 | 113.1 | I520 V558 F562 T610 E611 F618 | I520-L614 HydrophobicContact CD1-CD2 3.7Å; I520-L614 HydrophobicContact CG1-CD2 3.6Å; I520-L614 HydrophobicContact CG2-CD2 4.18Å; V558-L614 HydrophobicContact CG1-CD1 3.59Å; F562-L614 HydrophobicContact CB-CD2 4.29Å; F562-L614 HydrophobicContact CD1-CB 4.04Å; F562-L614 HydrophobicContact CD1-CD1 4.07Å; F562-L614 HydrophobicContact CD1-CD2 4.02Å; F562-L614 HydrophobicContact CD1-CG 4.27Å; F562-L614 HydrophobicContact CD2-CD1 3.84Å; F562-L614 HydrophobicContact CE1-CB 3.78Å; F562-L614 HydrophobicContact CE1-CD1 4.16Å; F562-L614 HydrophobicContact CE1-CG 4.41Å; F562-L614 HydrophobicContact CE2-CD1 3.94Å; F562-L614 HydrophobicContact CG-CD1 3.9Å; F562-L614 HydrophobicContact CG-CD2 4.17Å; F562-L614 HydrophobicContact CG-CG 4.49Å; F562-L614 HydrophobicContact CZ-CB 4.24Å; F562-L614 HydrophobicContact CZ-CD1 4.09Å; T610-L614 HydrophobicContact CG2-CD1 4.12Å; T610-L614 VanDerWaalsContact O-CG 3.24Å; T610-L614 WeakPolarHBondContact O-CG 3.38Å; T610-L614 PolarHBondContact O-N 3.46Å; E611-L614 PolarHBondContact O-N 3.39Å; L614-F618 PolarHBondContact O-N 3.39Å |
| 615 | F | 94.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 65.7 Ų | 65.7 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 178.3 | -61.8 | -28.9 | 0 | 0 | 0 | 112 | F562 H589 Q592 I593 I607 E611 F613 F618 K619 | F562-F615 HydrophobicContact CE1-CE1 4.46Å; F562-F615 AromaticContact CZ-CE1 3.99Å; F562-F615 HydrophobicContact CZ-CE1 3.99Å; H589-F615 AromaticContact ND1-CD1 3.88Å; Q592-F615 HydrophobicContact CB-CE1 3.86Å; Q592-F615 HydrophobicContact CB-CZ 4.08Å; I593-F615 HydrophobicContact CG1-CD1 4.13Å; I593-F615 HydrophobicContact CG1-CD2 4.3Å; I593-F615 HydrophobicContact CG1-CE1 4Å; I593-F615 HydrophobicContact CG1-CE2 4.17Å; I593-F615 HydrophobicContact CG1-CG 4.29Å; I593-F615 HydrophobicContact CG1-CZ 4.03Å; I607-F615 HydrophobicContact CG2-CD2 4.41Å; I607-F615 HydrophobicContact CG2-CE2 4.22Å; E611-F615 HydrophobicContact CB-CE2 3.99Å; E611-F615 HydrophobicContact CB-CZ 4.27Å; E611-F615 VanDerWaalsContact O-CD2 3.25Å; E611-F615 WeakPolarHBondContact O-CD2 3.21Å; E611-F615 WeakPolarHBondContact O-CG 3.28Å; E611-F615 PolarHBondContact O-N 3.21Å; F613-F615 PolarHBondContact O-N 2.98Å; F615-F618 PolarHBondContact O-N 3.04Å; F615-K619 WeakPolarHBondContact O-CB 3.48Å; F615-K619 PolarHBondContact O-N 3.33Å |
| 616 | N | 95.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.7 | -72.4 | -17.6 | 0 | 0 | 0 | 111.2 | R612 F613 F618 K619 D620 | R612-N616 WeakPolarHBondContact O-CB 3.34Å; R612-N616 VanDerWaalsContact O-CG 3.3Å; R612-N616 PolarHBondContact O-N 3.41Å; R612-N616 PolarHBondContact O-ND2 2.91Å; F613-N616 PolarHBondContact O-N 3.45Å; N616-F618 VanDerWaalsContact C-N 3.29Å; N616-F618 PolarHBondContact O-N 3.26Å; N616-K619 WeakPolarHBondContact O-CB 3.39Å; N616-K619 PolarHBondContact O-N 3.46Å; N616-K619 VanDerWaalsContact O-N 3.11Å; N616-D620 WeakPolarHBondContact O-CB 3.41Å; N616-D620 PolarHBondContact O-N 3.44Å |
| 617 | L | 96.2 | Very high | 93.7 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 178.1 | 179.2 | 62.2 | 0 | 0 | 0 | 112.4 | I516 A519 I520 F613 K621 | I516-L617 HydrophobicContact CG2-CD2 3.88Å; I516-L617 HydrophobicContact CG2-CG 4.15Å; A519-L617 HydrophobicContact CB-CD1 4.18Å; A519-L617 HydrophobicContact CB-CD2 3.87Å; I520-L617 HydrophobicContact CD1-CD2 4.44Å; I520-L617 HydrophobicContact CG1-CD2 3.83Å; F613-L617 HydrophobicContact CE1-CD2 4.14Å; F613-L617 HydrophobicContact CZ-CD2 3.92Å; F613-L617 VanDerWaalsContact O-CB 3.24Å; F613-L617 WeakPolarHBondContact O-CB 3.06Å; F613-L617 PolarHBondContact O-N 3.05Å; L617-K621 PolarHBondContact O-N 3.15Å |
| 618 | F | 96.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 4% | 0.044 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.9 | -44.2 | 175.5 | -176.9 | -112.2 | 0 | 0 | 0 | 112 | Y566 L582 L585 N586 H589 L614 F615 N616 D620 K621 K622 L625 | Y566-F618 HydrophobicContact CE1-CD2 4.19Å; Y566-F618 VanDerWaalsContact OH-CD2 3.26Å; Y566-F618 WeakPolarHBondContact OH-CD2 3.38Å; L582-F618 HydrophobicContact CD1-CE2 4.39Å; L582-F618 HydrophobicContact CD1-CZ 4.23Å; L585-F618 HydrophobicContact CB-CE2 4.12Å; L585-F618 HydrophobicContact CB-CZ 4.25Å; N586-F618 VanDerWaalsContact OD1-CE1 3.24Å; N586-F618 WeakPolarHBondContact OD1-CE1 3.33Å; N586-F618 WeakPolarHBondContact OD1-CZ 3.31Å; H589-F618 HydrophobicContact CB-CD1 4.1Å; H589-F618 HydrophobicContact CB-CE1 4.16Å; H589-F618 AromaticContact CD2-CD1 3.42Å; H589-F618 VanDerWaalsContact CD2-CD1 3.42Å; H589-F618 WeakPolarHBondContact CD2-CD1 3.36Å; H589-F618 AromaticContact CD2-CD2 3.79Å; H589-F618 AromaticContact CD2-CE1 3.63Å; H589-F618 AromaticContact CD2-CE2 3.98Å; H589-F618 AromaticContact CD2-CG 3.5Å; H589-F618 VanDerWaalsContact CD2-CG 3.5Å; H589-F618 WeakPolarHBondContact CD2-CG 3.32Å; H589-F618 AromaticContact CD2-CZ 3.9Å; H589-F618 WeakPolarHBondContact CE1-CB 3.5Å; H589-F618 AromaticContact CE1-CD1 3.9Å; H589-F618 AromaticContact CE1-CG 3.54Å; H589-F618 AromaticContact CG-CD1 3.59Å; H589-F618 AromaticContact CG-CE1 3.96Å; H589-F618 AromaticContact CG-CG 3.98Å; H589-F618 AromaticContact ND1-CD1 3.92Å; H589-F618 WeakPolarHBondContact NE2-CB 3.25Å; H589-F618 AromaticContact NE2-CD1 3.65Å; H589-F618 AromaticContact NE2-CD2 3.47Å; H589-F618 WeakPolarHBondContact NE2-CD2 3.48Å; H589-F618 AromaticContact NE2-CG 3.21Å; H589-F618 WeakPolarHBondContact NE2-CG 3.37Å; L614-F618 PolarHBondContact O-N 3.39Å; F615-F618 PolarHBondContact O-N 3.04Å; N616-F618 VanDerWaalsContact C-N 3.29Å; N616-F618 PolarHBondContact O-N 3.26Å; F618-D620 VanDerWaalsContact C-N 3.31Å; F618-D620 PolarHBondContact O-N 3.49Å; F618-K621 CarbonylContact O-C 3.59Å; F618-K621 PolarHBondContact O-N 3.42Å; F618-K621 VanDerWaalsContact O-N 3.16Å; F618-K622 HydrophobicContact CE1-CD 4.18Å; F618-K622 WeakPolarHBondContact O-CB 3.46Å; F618-K622 PolarHBondContact O-N 3.43Å; F618-L625 HydrophobicContact CE2-CD1 4.22Å |
| 619 | K | 94.8 | Very high | 94.7 | Very high | 151 Ų | 151 | 64.3 Ų | 64.3 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.7 | -45.1 | 178.5 | -176 | -178.4 | 176.8 | -176.5 | 0 | 111.7 | F615 N616 K621 K622 | F615-K619 WeakPolarHBondContact O-CB 3.48Å; F615-K619 PolarHBondContact O-N 3.33Å; N616-K619 WeakPolarHBondContact O-CB 3.39Å; N616-K619 PolarHBondContact O-N 3.46Å; N616-K619 VanDerWaalsContact O-N 3.11Å; K619-K621 PolarHBondContact O-N 3.04Å; K619-K622 PolarHBondContact O-N 3.35Å |
| 620 | D | 96 | Very high | 94.8 | Very high | 121 Ų | 121 | 65.2 Ų | 65.2 | 65% | 0.647 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65 | -28.5 | -179.1 | -65.7 | -14.4 | 0 | 0 | 0 | 112.5 | N616 F618 | N616-D620 WeakPolarHBondContact O-CB 3.41Å; N616-D620 PolarHBondContact O-N 3.44Å; F618-D620 VanDerWaalsContact C-N 3.31Å; F618-D620 PolarHBondContact O-N 3.49Å |
| 621 | K | 95.7 | Very high | 94.8 | Very high | 63 Ų | 63 | 67.1 Ų | 67.1 | 27% | 0.274 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -99.2 | -8 | 179.3 | -67.1 | -51.7 | -162.9 | 173.8 | 0 | 114.6 | V512 I516 L617 F618 K619 E624 L625 | V512-K621 HydrophobicContact CG1-CB 4.09Å; V512-K621 HydrophobicContact CG1-CD 4.26Å; V512-K621 HydrophobicContact CG1-CG 4.3Å; I516-K621 HydrophobicContact CD1-CB 3.81Å; I516-K621 HydrophobicContact CD1-CG 4.17Å; I516-K621 HydrophobicContact CG1-CB 4.23Å; I516-K621 HydrophobicContact CG1-CG 4.01Å; L617-K621 PolarHBondContact O-N 3.15Å; F618-K621 CarbonylContact O-C 3.59Å; F618-K621 PolarHBondContact O-N 3.42Å; F618-K621 VanDerWaalsContact O-N 3.16Å; K619-K621 PolarHBondContact O-N 3.04Å; K621-E624 WeakPolarHBondContact CD-OE2 3.35Å; K621-E624 IonicContact NZ-OE2 2.86Å; K621-E624 PolarHBondContact NZ-OE2 2.95Å; K621-E624 PolarHBondContact O-N 3.16Å; K621-L625 WeakPolarHBondContact O-CG 3.49Å; K621-L625 PolarHBondContact O-N 2.89Å |
| 622 | K | 94.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 71.8 Ų | 71.8 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | -173.1 | -177.2 | 172.4 | 174.7 | 170.7 | 0 | 112.6 | N586 F618 K619 E624 L625 E626 | N586-K622 VanDerWaalsContact OD1-CE 3.25Å; N586-K622 WeakPolarHBondContact OD1-CE 3.46Å; N586-K622 PolarHBondContact OD1-NZ 3.41Å; F618-K622 HydrophobicContact CE1-CD 4.18Å; F618-K622 WeakPolarHBondContact O-CB 3.46Å; F618-K622 PolarHBondContact O-N 3.43Å; K619-K622 PolarHBondContact O-N 3.35Å; K622-E624 VanDerWaalsContact C-N 3.3Å; K622-E624 PolarHBondContact O-N 2.74Å; K622-L625 PolarHBondContact O-N 2.97Å; K622-E626 WeakPolarHBondContact CE-OE1 3.21Å; K622-E626 HydrophobicContact CG-CG 4.36Å; K622-E626 WeakPolarHBondContact O-CG 3.41Å; K622-E626 PolarHBondContact O-N 2.71Å |
| 623 | E | 95.7 | Very high | 94.4 | Very high | 121 Ų | 121 | 70.8 Ų | 70.8 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | -178.7 | -167.7 | -170.2 | 157.2 | 0 | 0 | 111.8 | E626 K627 | E623-E626 PolarHBondContact O-N 3.22Å; E623-K627 WeakPolarHBondContact O-CG 3.36Å; E623-K627 PolarHBondContact O-N 3.02Å; E623-K627 WeakPolarHBondContact OE1-CE 3.42Å; E623-K627 IonicContact OE1-NZ 2.68Å; E623-K627 PolarHBondContact OE1-NZ 2.98Å |
| 624 | E | 96.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.6 | -173.3 | 179.8 | -179.4 | 0 | 0 | 110.9 | V512 K621 K622 E626 K627 L628 | V512-E624 HydrophobicContact CG2-CG 4.14Å; V512-E624 WeakPolarHBondContact CG2-OE1 3.47Å; K621-E624 WeakPolarHBondContact CD-OE2 3.35Å; K621-E624 IonicContact NZ-OE2 2.86Å; K621-E624 PolarHBondContact NZ-OE2 2.95Å; K621-E624 PolarHBondContact O-N 3.16Å; K622-E624 VanDerWaalsContact C-N 3.3Å; K622-E624 PolarHBondContact O-N 2.74Å; E624-E626 VanDerWaalsContact C-N 3.35Å; E624-E626 PolarHBondContact O-N 3.12Å; E624-K627 PolarHBondContact O-N 3.42Å; E624-L628 HydrophobicContact CG-CD1 4.24Å; E624-L628 WeakPolarHBondContact O-CG 3.39Å; E624-L628 PolarHBondContact O-N 3.5Å |
| 625 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 176.2 | -71 | 169.9 | 0 | 0 | 0 | 112.4 | F509 V512 V513 I516 L582 F618 K621 K622 L628 A629 | F509-L625 HydrophobicContact CD2-CD2 3.68Å; F509-L625 HydrophobicContact CE2-CB 4.18Å; F509-L625 HydrophobicContact CE2-CD2 3.62Å; F509-L625 HydrophobicContact CE2-CG 4.47Å; F509-L625 HydrophobicContact CG-CD2 4.3Å; F509-L625 HydrophobicContact CZ-CD2 4.19Å; V512-L625 HydrophobicContact CB-CD2 3.78Å; V512-L625 HydrophobicContact CB-CG 4.5Å; V512-L625 HydrophobicContact CG1-CD1 4.41Å; V512-L625 HydrophobicContact CG1-CD2 3.61Å; V512-L625 HydrophobicContact CG1-CG 3.82Å; V513-L625 HydrophobicContact CG2-CD2 4.06Å; I516-L625 HydrophobicContact CD1-CD1 4.08Å; L582-L625 HydrophobicContact CD1-CB 3.91Å; L582-L625 HydrophobicContact CD1-CD1 4.1Å; L582-L625 HydrophobicContact CD2-CB 4.12Å; F618-L625 HydrophobicContact CE2-CD1 4.22Å; K621-L625 WeakPolarHBondContact O-CG 3.49Å; K621-L625 PolarHBondContact O-N 2.89Å; K622-L625 PolarHBondContact O-N 2.97Å; L625-L628 PolarHBondContact O-N 2.79Å; L625-A629 WeakPolarHBondContact O-CB 3.36Å; L625-A629 PolarHBondContact O-N 3.42Å |
| 626 | E | 95.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 72.5 Ų | 72.5 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 179 | -75.9 | 178.5 | 175.1 | 0 | 0 | 112.6 | L582 K622 E623 E624 K630 | L582-E626 HydrophobicContact CD2-CB 4.29Å; L582-E626 HydrophobicContact CD2-CG 3.64Å; K622-E626 WeakPolarHBondContact CE-OE1 3.21Å; K622-E626 HydrophobicContact CG-CG 4.36Å; K622-E626 WeakPolarHBondContact O-CG 3.41Å; K622-E626 PolarHBondContact O-N 2.71Å; E623-E626 PolarHBondContact O-N 3.22Å; E624-E626 VanDerWaalsContact C-N 3.35Å; E624-E626 PolarHBondContact O-N 3.12Å; E626-K630 WeakPolarHBondContact O-CG 3.31Å; E626-K630 PolarHBondContact O-N 3.21Å |
| 627 | K | 95.8 | Very high | 93.1 | Very high | 133 Ų | 133 | 70.4 Ų | 70.4 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.3 | -50.2 | 174.1 | -73.6 | 172.8 | -174.7 | 167.9 | 0 | 110.6 | E623 E624 A629 K630 D631 | E623-K627 WeakPolarHBondContact O-CG 3.36Å; E623-K627 PolarHBondContact O-N 3.02Å; E623-K627 WeakPolarHBondContact OE1-CE 3.42Å; E623-K627 IonicContact OE1-NZ 2.68Å; E623-K627 PolarHBondContact OE1-NZ 2.98Å; E624-K627 PolarHBondContact O-N 3.42Å; K627-A629 VanDerWaalsContact C-N 3.33Å; K627-A629 PolarHBondContact O-N 3.11Å; K627-K630 PolarHBondContact O-N 3.05Å; K627-D631 PolarHBondContact O-N 2.87Å |
| 628 | L | 95.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 179.2 | -68.3 | 172.2 | 0 | 0 | 0 | 112.3 | P508 F509 V512 M578 E624 L625 K630 D631 Y634 | P508-L628 HydrophobicContact CB-CD1 4.1Å; P508-L628 HydrophobicContact CB-CD2 3.87Å; P508-L628 HydrophobicContact CG-CD2 3.83Å; F509-L628 HydrophobicContact CB-CB 4.37Å; F509-L628 HydrophobicContact CD2-CB 4.42Å; V512-L628 HydrophobicContact CG2-CD1 3.96Å; M578-L628 WeakPolarHBondContact CE-O 3.48Å; E624-L628 HydrophobicContact CG-CD1 4.24Å; E624-L628 WeakPolarHBondContact O-CG 3.39Å; E624-L628 PolarHBondContact O-N 3.5Å; L625-L628 PolarHBondContact O-N 2.79Å; L628-K630 PolarHBondContact O-N 2.84Å; L628-D631 PolarHBondContact O-N 3.08Å; L628-Y634 HydrophobicContact CD2-CE2 4.31Å |
| 629 | A | 93.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 12% | 0.116 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.8 | -23.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | F509 M578 C579 L582 L625 K627 | F509-A629 HydrophobicContact CD2-CB 4.44Å; F509-A629 HydrophobicContact CE2-CB 4.26Å; M578-A629 HydrophobicContact CB-CB 3.96Å; C579-A629 HydrophobicContact CB-CB 4.4Å; L582-A629 HydrophobicContact CD2-CB 4Å; L625-A629 WeakPolarHBondContact O-CB 3.36Å; L625-A629 PolarHBondContact O-N 3.42Å; K627-A629 VanDerWaalsContact C-N 3.33Å; K627-A629 PolarHBondContact O-N 3.11Å |
| 630 | K | 91.2 | Very high | 92.5 | Very high | 170 Ų | 170 | 63.3 Ų | 63.3 | 74% | 0.739 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -90.4 | -11.6 | 177.2 | -69.6 | 174.3 | -177.6 | 174.9 | 0 | 113.1 | E626 K627 L628 P632 | E626-K630 WeakPolarHBondContact O-CG 3.31Å; E626-K630 PolarHBondContact O-N 3.21Å; K627-K630 PolarHBondContact O-N 3.05Å; L628-K630 PolarHBondContact O-N 2.84Å; K630-P632 VanDerWaalsContact O-CD 3.29Å; K630-P632 WeakPolarHBondContact O-CD 3.47Å |
| 631 | D | 90.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | trans | -81.3 | 112.5 | -177.8 | -169.4 | -18.6 | 0 | 0 | 0 | 110.8 | K627 L628 T633 Y634 | K627-D631 PolarHBondContact O-N 2.87Å; L628-D631 PolarHBondContact O-N 3.08Å; D631-T633 PolarHBondContact O-N 3.11Å; D631-T633 WeakPolarHBondContact OD1-CB 3.45Å; D631-T633 PolarHBondContact OD1-N 2.91Å; D631-T633 PolarHBondContact OD1-OG1 2.86Å; D631-Y634 HydrophobicContact CB-CD2 4.03Å; D631-Y634 HydrophobicContact CB-CE2 4.37Å; D631-Y634 WeakPolarHBondContact OD2-CE2 3.27Å | ||
| 632 | P | 87 | Confident | 92.3 | Very high | 102 Ų | 102 | 57.6 Ų | 57.6 | 66% | 0.662 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -69.1 | -15.4 | -180 | 30.8 | -36 | 0 | 0 | 0 | 113 | K630 Y634 E635 | K630-P632 VanDerWaalsContact O-CD 3.29Å; K630-P632 WeakPolarHBondContact O-CD 3.47Å; P632-Y634 PolarHBondContact O-N 3.05Å; P632-E635 WeakPolarHBondContact O-CB 3.18Å; P632-E635 PolarHBondContact O-N 3.35Å; P632-E635 VanDerWaalsContact O-N 3.1Å |
| 633 | T | 89.5 | Confident | 92.3 | Very high | 111 Ų | 111 | 57 Ų | 57 | 68% | 0.681 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -59.5 | -29.8 | 179.7 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | D631 | D631-T633 PolarHBondContact O-N 3.11Å; D631-T633 WeakPolarHBondContact OD1-CB 3.45Å; D631-T633 PolarHBondContact OD1-N 2.91Å; D631-T633 PolarHBondContact OD1-OG1 2.86Å |
| 634 | Y | 89.3 | Confident | 92.2 | Very high | 53 Ų | 53 | 55 Ų | 55 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -104 | 20.3 | -179.4 | -50.1 | -68.9 | 0 | 0 | 0 | 113 | R504 E506 P508 L628 D631 P632 N636 | R504-Y634 PolarHBondContact NE-O 3.12Å; E506-Y634 HydrophobicContact CB-CD1 4.27Å; E506-Y634 HydrophobicContact CB-CE1 4.06Å; P508-Y634 HydrophobicContact CG-CD1 3.72Å; P508-Y634 HydrophobicContact CG-CD2 3.75Å; P508-Y634 HydrophobicContact CG-CE1 3.68Å; P508-Y634 HydrophobicContact CG-CE2 3.72Å; P508-Y634 HydrophobicContact CG-CG 3.76Å; L628-Y634 HydrophobicContact CD2-CE2 4.31Å; D631-Y634 HydrophobicContact CB-CD2 4.03Å; D631-Y634 HydrophobicContact CB-CE2 4.37Å; D631-Y634 WeakPolarHBondContact OD2-CE2 3.27Å; P632-Y634 PolarHBondContact O-N 3.05Å; Y634-N636 PolarHBondContact O-N 3.42Å |
| 635 | E | 87.3 | Confident | 92.1 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | trans | -55.8 | 136.3 | 172.7 | -174.4 | 173.6 | -135.2 | 0 | 0 | 110.3 | P632 R643 | P632-E635 WeakPolarHBondContact O-CB 3.18Å; P632-E635 PolarHBondContact O-N 3.35Å; P632-E635 VanDerWaalsContact O-N 3.1Å; E635-R643 IonicContact OE1-NH1 3.48Å; E635-R643 IonicContact OE2-CZ 3.33Å; E635-R643 IonicContact OE2-NH1 3Å; E635-R643 PolarHBondContact OE2-NH1 3.09Å; E635-R643 IonicContact OE2-NH2 2.78Å; E635-R643 PolarHBondContact OE2-NH2 3.36Å | ||
| 636 | N | 88.7 | Confident | 92.1 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | -72.1 | 147.4 | 180 | 69.4 | 75.1 | 0 | 0 | 0 | 111.4 | R504 S573 I576 Y634 S638 L639 S640 | R504-N636 HydrophobicContact CG-CB 4.47Å; S573-N636 PolarHBondContact O-ND2 3.19Å; I576-N636 PolarHBondContact O-ND2 3.44Å; Y634-N636 PolarHBondContact O-N 3.42Å; N636-S638 PolarHBondContact O-N 3.44Å; N636-S638 WeakPolarHBondContact OD1-CA 3.4Å; N636-S638 WeakPolarHBondContact OD1-CB 3.4Å; N636-S638 PolarHBondContact OD1-N 3.31Å; N636-S638 VanDerWaalsContact OD1-N 3.13Å; N636-L639 WeakPolarHBondContact ND2-CD1 3.47Å; N636-L639 PolarHBondContact O-N 2.83Å; N636-L639 PolarHBondContact OD1-N 3.3Å; N636-S640 PolarHBondContact O-N 3.35Å | ||
| 637 | D | 89.8 | Confident | 92 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -29.2 | 178.9 | -172.3 | 53.7 | 0 | 0 | 0 | 111.7 | V501 E502 L639 S640 K641 | V501-D637 WeakPolarHBondContact CA-OD2 3.15Å; V501-D637 HydrophobicContact CG1-CB 3.91Å; E502-D637 PolarHBondContact N-OD2 3.21Å; E502-D637 WeakPolarHBondContact O-CB 3.41Å; D637-L639 VanDerWaalsContact C-N 3.33Å; D637-L639 PolarHBondContact O-N 2.87Å; D637-S640 PolarHBondContact O-N 3.25Å; D637-S640 VanDerWaalsContact O-N 3.1Å; D637-K641 WeakPolarHBondContact O-CB 3.48Å; D637-K641 WeakPolarHBondContact O-CG 3.44Å; D637-K641 PolarHBondContact O-N 2.91Å; D637-K641 WeakPolarHBondContact OD1-CE 3.43Å; D637-K641 WeakPolarHBondContact OD2-CE 3.49Å; D637-K641 WeakPolarHBondContact OD2-CG 3.29Å |
| 638 | S | 90.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.4 | -48.4 | 177.8 | -43.8 | 0 | 0 | 0 | 0 | 111.7 | V501 N574 N636 L642 Y744 | V501-S638 WeakPolarHBondContact CG1-OG 3.42Å; N574-S638 PolarHBondContact O-OG 3.02Å; N636-S638 PolarHBondContact O-N 3.44Å; N636-S638 WeakPolarHBondContact OD1-CA 3.4Å; N636-S638 WeakPolarHBondContact OD1-CB 3.4Å; N636-S638 PolarHBondContact OD1-N 3.31Å; N636-S638 VanDerWaalsContact OD1-N 3.13Å; S638-L642 VanDerWaalsContact O-CB 3.27Å; S638-L642 WeakPolarHBondContact O-CB 3.41Å; S638-L642 PolarHBondContact O-N 2.97Å; S638-Y744 WeakPolarHBondContact CB-OH 3.38Å |
| 639 | L | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 177.4 | -73.3 | -179.7 | 0 | 0 | 0 | 112 | R577 N636 D637 L642 R643 L671 W674 Y744 | R577-L639 HydrophobicContact CB-CD1 4.43Å; R577-L639 HydrophobicContact CG-CD1 3.62Å; N636-L639 WeakPolarHBondContact ND2-CD1 3.47Å; N636-L639 PolarHBondContact O-N 2.83Å; N636-L639 PolarHBondContact OD1-N 3.3Å; D637-L639 VanDerWaalsContact C-N 3.33Å; D637-L639 PolarHBondContact O-N 2.87Å; L639-L642 PolarHBondContact O-N 3.41Å; L639-R643 WeakPolarHBondContact O-CB 3.47Å; L639-R643 PolarHBondContact O-N 3.21Å; L639-L671 HydrophobicContact CD2-CD2 3.64Å; L639-W674 HydrophobicContact CB-CH2 4.4Å; L639-W674 HydrophobicContact CB-CZ2 4.1Å; L639-W674 HydrophobicContact CD2-CD2 4.15Å; L639-W674 HydrophobicContact CD2-CE3 4.05Å; L639-W674 HydrophobicContact CD2-CH2 4.03Å; L639-W674 HydrophobicContact CD2-CZ2 4.13Å; L639-W674 HydrophobicContact CD2-CZ3 4.02Å; L639-Y744 PolarHBondContact N-OH 3.44Å |
| 640 | S | 90.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | N636 D637 R643 T644 | N636-S640 PolarHBondContact O-N 3.35Å; D637-S640 PolarHBondContact O-N 3.25Å; D637-S640 VanDerWaalsContact O-N 3.1Å; S640-R643 PolarHBondContact O-N 3.15Å; S640-T644 WeakPolarHBondContact O-CB 3.27Å; S640-T644 PolarHBondContact O-N 2.87Å; S640-T644 PolarHBondContact O-OG1 3.27Å |
| 641 | K | 93 | Very high | 91.9 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 27% | 0.274 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.6 | -68.5 | -63.4 | -176.2 | -173.6 | 0 | 111.4 | L499 V501 D637 T644 K645 | L499-K641 HydrophobicContact CD1-CD 4.07Å; L499-K641 HydrophobicContact CD2-CB 3.66Å; L499-K641 HydrophobicContact CD2-CD 4.43Å; L499-K641 HydrophobicContact CD2-CG 4.45Å; L499-K641 HydrophobicContact CG-CB 4.07Å; L499-K641 HydrophobicContact CG-CD 4.19Å; L499-K641 HydrophobicContact CG-CG 4.37Å; V501-K641 HydrophobicContact CG2-CG 4.44Å; D637-K641 WeakPolarHBondContact O-CB 3.48Å; D637-K641 WeakPolarHBondContact O-CG 3.44Å; D637-K641 PolarHBondContact O-N 2.91Å; D637-K641 WeakPolarHBondContact OD1-CE 3.43Å; D637-K641 WeakPolarHBondContact OD2-CE 3.49Å; D637-K641 WeakPolarHBondContact OD2-CG 3.29Å; K641-T644 PolarHBondContact O-N 3.37Å; K641-K645 WeakPolarHBondContact O-CB 3.41Å; K641-K645 PolarHBondContact O-N 3.12Å |
| 642 | L | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.5 | -178.3 | 61.5 | 0 | 0 | 0 | 111.4 | S638 L639 T644 K645 I646 I660 L671 W674 I742 Y744 | S638-L642 VanDerWaalsContact O-CB 3.27Å; S638-L642 WeakPolarHBondContact O-CB 3.41Å; S638-L642 PolarHBondContact O-N 2.97Å; L639-L642 PolarHBondContact O-N 3.41Å; L642-T644 PolarHBondContact O-N 2.96Å; L642-K645 PolarHBondContact O-N 3.25Å; L642-I646 HydrophobicContact CD1-CD1 3.91Å; L642-I646 HydrophobicContact CD1-CG1 4.15Å; L642-I646 HydrophobicContact CD2-CD1 4.42Å; L642-I646 HydrophobicContact CG-CD1 3.74Å; L642-I646 HydrophobicContact CG-CG1 4.39Å; L642-I646 VanDerWaalsContact O-CG1 3.26Å; L642-I646 WeakPolarHBondContact O-CG1 3.43Å; L642-I646 PolarHBondContact O-N 3.08Å; L642-I660 HydrophobicContact CD1-CD1 4.23Å; L642-L671 HydrophobicContact CD2-CD2 4.04Å; L642-W674 HydrophobicContact CD2-CH2 4.49Å; L642-W674 HydrophobicContact CD2-CZ3 3.91Å; L642-W674 HydrophobicContact CG-CZ3 4.26Å; L642-I742 HydrophobicContact CD1-CD1 4.11Å; L642-I742 HydrophobicContact CD1-CG2 3.92Å; L642-Y744 HydrophobicContact CB-CD2 4.29Å; L642-Y744 HydrophobicContact CB-CE2 3.87Å; L642-Y744 HydrophobicContact CD1-CD2 4.13Å; L642-Y744 HydrophobicContact CD2-CD2 3.87Å; L642-Y744 HydrophobicContact CD2-CE1 4.42Å; L642-Y744 HydrophobicContact CD2-CE2 3.76Å; L642-Y744 HydrophobicContact CD2-CG 4.25Å; L642-Y744 HydrophobicContact CG-CD2 4.32Å; L642-Y744 HydrophobicContact CG-CE2 4.26Å |
| 643 | R | 94.6 | Very high | 91.8 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.3 | -52.7 | 176.3 | 176.9 | 173.3 | 62.4 | -152.6 | -8.5 | 110.8 | E635 L639 S640 K645 I646 L647 W674 F681 | E635-R643 IonicContact OE1-NH1 3.48Å; E635-R643 IonicContact OE2-CZ 3.33Å; E635-R643 IonicContact OE2-NH1 3Å; E635-R643 PolarHBondContact OE2-NH1 3.09Å; E635-R643 IonicContact OE2-NH2 2.78Å; E635-R643 PolarHBondContact OE2-NH2 3.36Å; L639-R643 WeakPolarHBondContact O-CB 3.47Å; L639-R643 PolarHBondContact O-N 3.21Å; S640-R643 PolarHBondContact O-N 3.15Å; R643-K645 VanDerWaalsContact C-N 3.27Å; R643-K645 PolarHBondContact O-N 3.28Å; R643-I646 PolarHBondContact O-N 3.48Å; R643-L647 HydrophobicContact CG-CD1 3.83Å; R643-L647 HydrophobicContact CG-CG 4.34Å; R643-L647 WeakPolarHBondContact O-CB 3.34Å; R643-L647 VanDerWaalsContact O-CG 3.25Å; R643-L647 WeakPolarHBondContact O-CG 3.47Å; R643-L647 PolarHBondContact O-N 3.02Å; R643-W674 HydrophobicContact CB-CH2 3.79Å; R643-W674 HydrophobicContact CB-CZ2 3.97Å; R643-F681 HydrophobicContact CB-CZ 4.19Å; R643-F681 HydrophobicContact CG-CE1 4.42Å; R643-F681 HydrophobicContact CG-CZ 3.86Å |
| 644 | T | 94 | Very high | 91.4 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.3 | -43.8 | 179.8 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | S640 K641 L642 Q648 | S640-T644 WeakPolarHBondContact O-CB 3.27Å; S640-T644 PolarHBondContact O-N 2.87Å; S640-T644 PolarHBondContact O-OG1 3.27Å; K641-T644 PolarHBondContact O-N 3.37Å; L642-T644 PolarHBondContact O-N 2.96Å; T644-Q648 VanDerWaalsContact O-CB 3.31Å; T644-Q648 WeakPolarHBondContact O-CB 3.36Å; T644-Q648 PolarHBondContact O-N 2.85Å |
| 645 | K | 95.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 179.2 | -172.6 | 53.9 | 163.4 | 171.8 | 0 | 112.4 | L499 K641 L642 R643 Q648 E649 I742 T768 | L499-K645 HydrophobicContact CD2-CB 4.36Å; K641-K645 WeakPolarHBondContact O-CB 3.41Å; K641-K645 PolarHBondContact O-N 3.12Å; L642-K645 PolarHBondContact O-N 3.25Å; R643-K645 VanDerWaalsContact C-N 3.27Å; R643-K645 PolarHBondContact O-N 3.28Å; K645-Q648 PolarHBondContact O-N 3.08Å; K645-E649 HydrophobicContact CD-CG 4.12Å; K645-E649 WeakPolarHBondContact CE-OE1 3.47Å; K645-E649 HydrophobicContact CG-CG 4.45Å; K645-E649 IonicContact NZ-OE1 3.64Å; K645-E649 PolarHBondContact NZ-OE1 2.91Å; K645-E649 VanDerWaalsContact O-CG 3.23Å; K645-E649 WeakPolarHBondContact O-CG 3.31Å; K645-E649 PolarHBondContact O-N 3.26Å; K645-I742 HydrophobicContact CG-CD1 3.95Å; K645-I742 HydrophobicContact CG-CG1 4.5Å; K645-T768 WeakPolarHBondContact CE-OG1 3.37Å; K645-T768 HydrophobicContact CG-CG2 4.4Å |
| 646 | I | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -50.8 | 177.1 | -66.6 | 166.1 | 0 | 0 | 0 | 110 | L642 R643 Q648 E649 F650 I660 W674 I675 F681 L722 I742 | L642-I646 HydrophobicContact CD1-CD1 3.91Å; L642-I646 HydrophobicContact CD1-CG1 4.15Å; L642-I646 HydrophobicContact CD2-CD1 4.42Å; L642-I646 HydrophobicContact CG-CD1 3.74Å; L642-I646 HydrophobicContact CG-CG1 4.39Å; L642-I646 VanDerWaalsContact O-CG1 3.26Å; L642-I646 WeakPolarHBondContact O-CG1 3.43Å; L642-I646 PolarHBondContact O-N 3.08Å; R643-I646 PolarHBondContact O-N 3.48Å; I646-Q648 VanDerWaalsContact C-N 3.28Å; I646-Q648 PolarHBondContact O-N 3Å; I646-E649 PolarHBondContact O-N 3.48Å; I646-E649 VanDerWaalsContact O-N 3.15Å; I646-F650 HydrophobicContact CG2-CD2 3.71Å; I646-F650 HydrophobicContact CG2-CE2 3.92Å; I646-F650 WeakPolarHBondContact O-CD2 3.26Å; I646-F650 PolarHBondContact O-N 3.46Å; I646-I660 HydrophobicContact CD1-CD1 3.62Å; I646-I660 HydrophobicContact CG1-CD1 4.11Å; I646-W674 HydrophobicContact CD1-CZ3 4.48Å; I646-I675 HydrophobicContact CD1-CD1 3.87Å; I646-F681 HydrophobicContact CB-CE1 3.91Å; I646-F681 HydrophobicContact CD1-CE1 4.49Å; I646-F681 HydrophobicContact CD1-CZ 4.42Å; I646-F681 HydrophobicContact CG2-CD1 3.97Å; I646-F681 HydrophobicContact CG2-CE1 3.54Å; I646-F681 HydrophobicContact CG2-CZ 4.44Å; I646-L722 HydrophobicContact CG2-CD2 4.43Å; I646-I742 HydrophobicContact CG1-CD1 4.18Å |
| 647 | L | 94.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 179.3 | -67.7 | 175.6 | 0 | 0 | 0 | 111.4 | R643 S651 F681 I684 | R643-L647 HydrophobicContact CG-CD1 3.83Å; R643-L647 HydrophobicContact CG-CG 4.34Å; R643-L647 WeakPolarHBondContact O-CB 3.34Å; R643-L647 VanDerWaalsContact O-CG 3.25Å; R643-L647 WeakPolarHBondContact O-CG 3.47Å; R643-L647 PolarHBondContact O-N 3.02Å; L647-S651 WeakPolarHBondContact O-CB 3.31Å; L647-S651 PolarHBondContact O-N 3.36Å; L647-S651 PolarHBondContact O-OG 3.15Å; L647-F681 HydrophobicContact CD2-CD1 3.66Å; L647-F681 HydrophobicContact CD2-CE1 3.73Å; L647-F681 HydrophobicContact CG-CD1 4.36Å; L647-F681 HydrophobicContact CG-CE1 3.91Å; L647-I684 HydrophobicContact CD2-CD1 3.52Å; L647-I684 HydrophobicContact CD2-CG1 4.39Å |
| 648 | Q | 93.1 | Very high | 92.2 | Very high | 115 Ų | 115 | 51 Ų | 51 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.5 | -176.6 | -175 | 6.1 | 0 | 0 | 112.4 | T644 K645 I646 S652 | T644-Q648 VanDerWaalsContact O-CB 3.31Å; T644-Q648 WeakPolarHBondContact O-CB 3.36Å; T644-Q648 PolarHBondContact O-N 2.85Å; K645-Q648 PolarHBondContact O-N 3.08Å; I646-Q648 VanDerWaalsContact C-N 3.28Å; I646-Q648 PolarHBondContact O-N 3Å; Q648-S652 VanDerWaalsContact O-CB 3.31Å; Q648-S652 WeakPolarHBondContact O-CB 3.33Å; Q648-S652 PolarHBondContact O-N 3.1Å; Q648-S652 PolarHBondContact O-OG 2.87Å |
| 649 | E | 93.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.5 | -33.5 | -176.3 | -64.7 | -71 | 163.6 | 0 | 0 | 112.7 | K645 I646 S652 R653 F740 T766 | K645-E649 HydrophobicContact CD-CG 4.12Å; K645-E649 WeakPolarHBondContact CE-OE1 3.47Å; K645-E649 HydrophobicContact CG-CG 4.45Å; K645-E649 IonicContact NZ-OE1 3.64Å; K645-E649 PolarHBondContact NZ-OE1 2.91Å; K645-E649 VanDerWaalsContact O-CG 3.23Å; K645-E649 WeakPolarHBondContact O-CG 3.31Å; K645-E649 PolarHBondContact O-N 3.26Å; I646-E649 PolarHBondContact O-N 3.48Å; I646-E649 VanDerWaalsContact O-N 3.15Å; E649-S652 PolarHBondContact O-OG 2.91Å; E649-R653 PolarHBondContact O-NH1 2.73Å; E649-R653 IonicContact OE2-CZ 2.65Å; E649-R653 IonicContact OE2-NH1 3.22Å; E649-R653 PolarHBondContact OE2-NH1 2.99Å; E649-R653 IonicContact OE2-NH2 2.7Å; E649-R653 PolarHBondContact OE2-NH2 3.36Å; E649-F740 HydrophobicContact CB-CB 4.48Å; E649-F740 HydrophobicContact CB-CD1 3.52Å; E649-F740 HydrophobicContact CB-CD2 4.4Å; E649-F740 HydrophobicContact CB-CE1 3.73Å; E649-F740 HydrophobicContact CB-CG 3.88Å; E649-F740 HydrophobicContact CB-CZ 4.26Å; E649-F740 HydrophobicContact CG-CB 4.09Å; E649-F740 HydrophobicContact CG-CD1 4.05Å; E649-F740 HydrophobicContact CG-CD2 4.28Å; E649-F740 HydrophobicContact CG-CG 3.88Å; E649-T766 PolarHBondContact OE1-OG1 3.49Å; E649-T766 PolarHBondContact OE2-OG1 2.89Å; E649-T766 VanDerWaalsContact OE2-OG1 3.07Å |
| 650 | F | 94.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -82.1 | -35.7 | 175.9 | -82.9 | -85 | 0 | 0 | 0 | 113 | I646 S652 R653 A656 I684 V686 N721 L722 F740 | I646-F650 HydrophobicContact CG2-CD2 3.71Å; I646-F650 HydrophobicContact CG2-CE2 3.92Å; I646-F650 WeakPolarHBondContact O-CD2 3.26Å; I646-F650 PolarHBondContact O-N 3.46Å; F650-S652 VanDerWaalsContact C-N 3.29Å; F650-S652 PolarHBondContact O-N 2.96Å; F650-R653 PolarHBondContact O-N 3.37Å; F650-A656 HydrophobicContact CD1-CB 3.53Å; F650-A656 HydrophobicContact CE1-CB 3.77Å; F650-A656 WeakPolarHBondContact CE1-O 2.98Å; F650-A656 HydrophobicContact CG-CB 4.1Å; F650-I684 HydrophobicContact CB-CD1 3.7Å; F650-V686 HydrophobicContact CB-CG2 4.12Å; F650-V686 HydrophobicContact CD1-CG2 3.74Å; F650-V686 HydrophobicContact CD2-CG2 3.53Å; F650-V686 HydrophobicContact CE1-CG2 4.02Å; F650-V686 HydrophobicContact CE2-CG1 4.07Å; F650-V686 HydrophobicContact CE2-CG2 3.73Å; F650-V686 HydrophobicContact CG-CG2 3.53Å; F650-V686 HydrophobicContact CZ-CG1 4.19Å; F650-V686 HydrophobicContact CZ-CG2 4.01Å; F650-N721 HydrophobicContact CE1-CB 4.22Å; F650-L722 HydrophobicContact CE2-CB 4.48Å; F650-L722 HydrophobicContact CE2-CD1 4.4Å; F650-L722 HydrophobicContact CE2-CD2 4.29Å; F650-L722 HydrophobicContact CZ-CB 4.11Å; F650-F740 HydrophobicContact CD2-CE1 4.09Å; F650-F740 AromaticContact CD2-CZ 3.95Å; F650-F740 HydrophobicContact CD2-CZ 3.95Å; F650-F740 AromaticContact CE2-CE1 3.8Å; F650-F740 HydrophobicContact CE2-CE1 3.8Å; F650-F740 AromaticContact CE2-CZ 3.38Å; F650-F740 HydrophobicContact CE2-CZ 3.38Å; F650-F740 HydrophobicContact CZ-CE1 4.14Å; F650-F740 AromaticContact CZ-CZ 3.96Å; F650-F740 HydrophobicContact CZ-CZ 3.96Å |
| 651 | S | 91.4 | Very high | 93 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.6 | -24.5 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | L647 R653 | L647-S651 WeakPolarHBondContact O-CB 3.31Å; L647-S651 PolarHBondContact O-N 3.36Å; L647-S651 PolarHBondContact O-OG 3.15Å; S651-R653 VanDerWaalsContact C-N 3.35Å |
| 652 | S | 87.4 | Confident | 93.1 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.7 | -179.5 | 54.2 | 0 | 0 | 0 | 0 | 114 | Q648 E649 F650 | Q648-S652 VanDerWaalsContact O-CB 3.31Å; Q648-S652 WeakPolarHBondContact O-CB 3.33Å; Q648-S652 PolarHBondContact O-N 3.1Å; Q648-S652 PolarHBondContact O-OG 2.87Å; E649-S652 PolarHBondContact O-OG 2.91Å; F650-S652 VanDerWaalsContact C-N 3.29Å; F650-S652 PolarHBondContact O-N 2.96Å |
| 653 | R | 88.2 | Confident | 92.8 | Very high | 49 Ų | 49 | 52.5 Ų | 52.5 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | trans | -142 | 134.8 | -172.2 | -56.8 | -170.5 | -169.8 | 91 | -6.5 | 111.8 | E649 F650 S651 A656 N739 D764 | E649-R653 PolarHBondContact O-NH1 2.73Å; E649-R653 IonicContact OE2-CZ 2.65Å; E649-R653 IonicContact OE2-NH1 3.22Å; E649-R653 PolarHBondContact OE2-NH1 2.99Å; E649-R653 IonicContact OE2-NH2 2.7Å; E649-R653 PolarHBondContact OE2-NH2 3.36Å; F650-R653 PolarHBondContact O-N 3.37Å; S651-R653 VanDerWaalsContact C-N 3.35Å; R653-A656 HydrophobicContact CB-CB 4.1Å; R653-N739 PolarHBondContact NH2-O 2.83Å; R653-D764 PolarHBondContact NH2-O 3.04Å; R653-D764 VanDerWaalsContact NH2-O 3.12Å | ||
| 654 | K | 81.3 | Confident | 92.5 | Very high | 211 Ų | 211 | 52.2 Ų | 52.2 | 92% | 0.917 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -40.4 | -178.5 | -168.1 | -178.9 | 178.9 | -172.8 | 0 | 113.5 | ||
| 655 | E | 86.6 | Confident | 92.4 | Very high | 151 Ų | 151 | 50.1 Ų | 50.1 | 71% | 0.706 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126 | 71.6 | 178.8 | -68.4 | -176.4 | -171.1 | 0 | 0 | 110 | N739 | E655-N739 PolarHBondContact O-OD1 3.02Š|
| 656 | A | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | trans | -80.1 | 134.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F650 R653 N721 N739 F740 | F650-A656 HydrophobicContact CD1-CB 3.53Å; F650-A656 HydrophobicContact CE1-CB 3.77Å; F650-A656 WeakPolarHBondContact CE1-O 2.98Å; F650-A656 HydrophobicContact CG-CB 4.1Å; R653-A656 HydrophobicContact CB-CB 4.1Å; A656-N721 WeakPolarHBondContact O-CB 3.16Å; A656-N739 WeakPolarHBondContact CA-OD1 3.17Å; A656-F740 HydrophobicContact CB-CE1 4.49Å | ||
| 657 | R | 95.6 | Very high | 91.9 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | trans | -126.6 | 138 | 167.4 | -63.5 | -177.5 | -167 | -166.8 | 3.8 | 110.1 | F715 K716 N721 C738 N739 F740 | R657-F715 HydrophobicContact CB-CE2 4.42Å; R657-F715 HydrophobicContact CB-CZ 4.02Å; R657-F715 PolarHBondContact NH1-O 3.13Å; R657-K716 PolarHBondContact NH1-O 2.79Å; R657-N721 CarbonylContact C-O 3.53Å; R657-N721 VanDerWaalsContact CA-O 3.29Å; R657-N721 WeakPolarHBondContact CA-O 3.39Å; R657-C738 CarbonylContact O-C 3.5Å; R657-C738 WeakPolarHBondContact O-CA 3.36Å; R657-N739 PolarHBondContact N-OD1 3.04Å; R657-N739 PolarHBondContact O-N 2.93Å; R657-N739 PolarHBondContact O-OD1 3.19Å; R657-F740 PolarHBondContact O-N 3Å | ||
| 658 | G | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | N721 L722 L723 F740 | G658-N721 PolarHBondContact N-O 3.4Å; G658-L722 WeakPolarHBondContact O-CA 3.33Å; G658-L723 PolarHBondContact O-N 2.96Å; G658-F740 VanDerWaalsContact CA-O 3.27Å; G658-F740 WeakPolarHBondContact CA-O 3.21Å |
| 659 | I | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.4 | 174.3 | -52.4 | 176.4 | 0 | 0 | 0 | 109.5 | F661 L723 A725 I735 C738 F740 V741 I742 R759 | I659-F661 HydrophobicContact CB-CE2 4.27Å; I659-F661 HydrophobicContact CG2-CD2 3.99Å; I659-F661 HydrophobicContact CG2-CE1 4.22Å; I659-F661 HydrophobicContact CG2-CE2 3.62Å; I659-F661 HydrophobicContact CG2-CG 4.44Å; I659-F661 HydrophobicContact CG2-CZ 3.75Å; I659-L723 CarbonylContact C-O 3.5Å; I659-L723 VanDerWaalsContact CA-O 3.31Å; I659-L723 WeakPolarHBondContact CA-O 3.36Å; I659-L723 HydrophobicContact CG1-CB 4.34Å; I659-L723 HydrophobicContact CG2-CB 4.4Å; I659-A725 HydrophobicContact CG2-CB 4.35Å; I659-I735 HydrophobicContact CD1-CD1 4.33Å; I659-I735 HydrophobicContact CD1-CG2 3.89Å; I659-C738 VanDerWaalsContact CG1-SG 3.58Å; I659-F740 PolarHBondContact N-O 2.95Å; I659-F740 VanDerWaalsContact N-O 3.16Å; I659-V741 CarbonylContact O-C 3.5Å; I659-V741 WeakPolarHBondContact O-CA 3.29Å; I659-I742 PolarHBondContact O-N 3.38Å; I659-R759 HydrophobicContact CD1-CB 3.87Å; I659-R759 HydrophobicContact CD1-CG 4.19Å |
| 660 | I | 97.4 | Very high | 92 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114.9 | 170.1 | -57.5 | 171.8 | 0 | 0 | 0 | 108 | L642 I646 I675 L722 L723 I724 A725 I742 | L642-I660 HydrophobicContact CD1-CD1 4.23Å; I646-I660 HydrophobicContact CD1-CD1 3.62Å; I646-I660 HydrophobicContact CG1-CD1 4.11Å; I660-I675 HydrophobicContact CD1-CD1 4.35Å; I660-L722 HydrophobicContact CD1-CD1 4Å; I660-L722 HydrophobicContact CD1-CD2 3.94Å; I660-L722 HydrophobicContact CD1-CG 4.27Å; I660-L722 HydrophobicContact CG1-CD1 3.96Å; I660-L723 PolarHBondContact N-O 3.46Å; I660-I724 HydrophobicContact CB-CG1 4.41Å; I660-I724 HydrophobicContact CB-CG2 4.48Å; I660-I724 HydrophobicContact CD1-CG1 4.39Å; I660-I724 CarbonylContact O-C 3.39Å; I660-I724 WeakPolarHBondContact O-CA 3.07Å; I660-A725 PolarHBondContact O-N 2.83Å; I660-I742 CarbonylContact C-O 3.57Å; I660-I742 VanDerWaalsContact CA-O 3.31Å; I660-I742 WeakPolarHBondContact CA-O 3.4Å; I660-I742 HydrophobicContact CG1-CB 4.23Å; I660-I742 HydrophobicContact CG1-CD1 4.32Å |
| 661 | F | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.1 | 173.3 | -71.8 | -77.1 | 0 | 0 | 0 | 110.8 | I659 A725 A729 E730 V741 I742 R743 Y744 | I659-F661 HydrophobicContact CB-CE2 4.27Å; I659-F661 HydrophobicContact CG2-CD2 3.99Å; I659-F661 HydrophobicContact CG2-CE1 4.22Å; I659-F661 HydrophobicContact CG2-CE2 3.62Å; I659-F661 HydrophobicContact CG2-CG 4.44Å; I659-F661 HydrophobicContact CG2-CZ 3.75Å; F661-A725 CarbonylContact C-O 3.35Å; F661-A725 VanDerWaalsContact CA-O 3.28Å; F661-A725 WeakPolarHBondContact CA-O 3.4Å; F661-A725 HydrophobicContact CD1-CB 4.33Å; F661-A725 HydrophobicContact CE1-CB 4.29Å; F661-A729 HydrophobicContact CE1-CB 3.78Å; F661-A729 HydrophobicContact CZ-CB 4.2Å; F661-E730 HydrophobicContact CD1-CG 3.84Å; F661-E730 HydrophobicContact CE1-CB 4.37Å; F661-E730 HydrophobicContact CE1-CG 3.43Å; F661-E730 VanDerWaalsContact CE1-CG 3.43Å; F661-E730 HydrophobicContact CZ-CG 3.95Å; F661-V741 HydrophobicContact CD2-CG1 3.76Å; F661-V741 HydrophobicContact CE2-CG1 3.7Å; F661-I742 PolarHBondContact N-O 2.9Å; F661-R743 HydrophobicContact CB-CG 4.32Å; F661-R743 HydrophobicContact CD2-CG 4.42Å; F661-Y744 WeakPolarHBondContact O-CB 3.19Å; F661-Y744 PolarHBondContact O-N 3.37Å |
| 662 | T | 94.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -131 | 160.8 | 175.2 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | S667 A668 L671 I724 A725 T726 | T662-S667 WeakPolarHBondContact OG1-CB 3.48Å; T662-A668 HydrophobicContact CG2-CB 3.73Å; T662-L671 HydrophobicContact CG2-CD1 4.49Å; T662-I724 HydrophobicContact CG2-CG2 4.29Å; T662-A725 PolarHBondContact N-O 2.92Å; T662-T726 WeakPolarHBondContact O-CA 3.34Å | ||
| 663 | K | 89.3 | Confident | 92.6 | Very high | 129 Ų | 129 | 42.2 Ų | 42.2 | 56% | 0.561 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -73.2 | -41.5 | -170.5 | -175.3 | -178.3 | 176.3 | -171.7 | 0 | 113.4 | H746 | K663-H746 HydrophobicContact CB-CB 4.39Š|
| 664 | T | 89.3 | Confident | 92.9 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 29% | 0.288 | 19% | 0.186 | S | C | . | . | trans | -117.1 | 155.2 | -168.9 | 81.3 | 0 | 0 | 0 | 0 | 112.1 | S667 A668 | T664-S667 PolarHBondContact O-N 3.49Å; T664-S667 WeakPolarHBondContact OG1-CB 3.46Å; T664-S667 PolarHBondContact OG1-N 2.96Å; T664-S667 PolarHBondContact OG1-OG 3.35Å; T664-A668 PolarHBondContact O-N 2.88Å; T664-A668 VanDerWaalsContact O-N 3.12Å | ||
| 665 | R | 90.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 30.5 Ų | 30.5 | 14% | 0.136 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.2 | -63.9 | -176.8 | 175.9 | 173.9 | 1 | 111.7 | S667 A668 M669 I692 G693 G695 T700 | R665-S667 VanDerWaalsContact C-N 3.34Å; R665-S667 PolarHBondContact O-N 3.24Å; R665-A668 WeakPolarHBondContact O-CB 3.24Å; R665-A668 PolarHBondContact O-N 3.31Å; R665-A668 VanDerWaalsContact O-N 3.11Å; R665-M669 WeakPolarHBondContact O-CG 3.31Å; R665-M669 PolarHBondContact O-N 3.46Å; R665-I692 HydrophobicContact CB-CB 4.5Å; R665-I692 HydrophobicContact CB-CD1 4.15Å; R665-I692 HydrophobicContact CB-CG2 4.2Å; R665-I692 HydrophobicContact CG-CB 4.06Å; R665-I692 HydrophobicContact CG-CD1 4.26Å; R665-I692 HydrophobicContact CG-CG2 4.17Å; R665-G693 VanDerWaalsContact CZ-O 3.29Å; R665-G693 PolarHBondContact NH2-O 3.44Å; R665-G695 PolarHBondContact NH1-O 2.76Å; R665-G695 PolarHBondContact NH2-O 2.77Å; R665-T700 HydrophobicContact CB-CG2 3.68Å; R665-T700 PolarHBondContact NH1-O 2.9Å; R665-T700 VanDerWaalsContact NH1-O 3.15Å |
| 666 | H | 89 | Confident | 94 | Very high | 32 Ų | 32 | 29 Ų | 29 | 15% | 0.148 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 177.4 | -176.1 | 69.6 | 0 | 0 | 0 | 111.8 | A668 M669 T670 | H666-A668 VanDerWaalsContact C-N 3.32Å; H666-A668 PolarHBondContact O-N 3.5Å; H666-M669 PolarHBondContact O-N 2.84Å; H666-T670 WeakPolarHBondContact O-CB 3.43Å; H666-T670 WeakPolarHBondContact O-CG2 3.4Å; H666-T670 PolarHBondContact O-N 3.07Å; H666-T670 PolarHBondContact O-OG1 3.37Å |
| 667 | S | 92 | Very high | 94 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | T662 T664 R665 T670 L671 | T662-S667 WeakPolarHBondContact OG1-CB 3.48Å; T664-S667 PolarHBondContact O-N 3.49Å; T664-S667 WeakPolarHBondContact OG1-CB 3.46Å; T664-S667 PolarHBondContact OG1-N 2.96Å; T664-S667 PolarHBondContact OG1-OG 3.35Å; R665-S667 VanDerWaalsContact C-N 3.34Å; R665-S667 PolarHBondContact O-N 3.24Å; S667-T670 WeakPolarHBondContact CA-OG1 3.26Å; S667-T670 PolarHBondContact O-OG1 3.18Å; S667-L671 WeakPolarHBondContact O-CB 3.31Å; S667-L671 WeakPolarHBondContact O-CD1 3.39Å; S667-L671 WeakPolarHBondContact O-CG 2.94Å; S667-L671 PolarHBondContact O-N 3.11Å |
| 668 | A | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T662 T664 R665 H666 S672 I692 I724 | T662-A668 HydrophobicContact CG2-CB 3.73Å; T664-A668 PolarHBondContact O-N 2.88Å; T664-A668 VanDerWaalsContact O-N 3.12Å; R665-A668 WeakPolarHBondContact O-CB 3.24Å; R665-A668 PolarHBondContact O-N 3.31Å; R665-A668 VanDerWaalsContact O-N 3.11Å; H666-A668 VanDerWaalsContact C-N 3.32Å; H666-A668 PolarHBondContact O-N 3.5Å; A668-S672 WeakPolarHBondContact O-CB 3.28Å; A668-S672 PolarHBondContact O-N 3.36Å; A668-S672 VanDerWaalsContact O-N 3.12Å; A668-I692 HydrophobicContact CB-CG2 3.74Å; A668-I724 HydrophobicContact CB-CG2 4.1Å |
| 669 | M | 93.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.3 | -48.9 | 178.1 | -65.9 | 172.8 | 70.3 | 0 | 0 | 111.9 | R665 H666 S672 Q673 Y690 I692 T700 | R665-M669 WeakPolarHBondContact O-CG 3.31Å; R665-M669 PolarHBondContact O-N 3.46Å; H666-M669 PolarHBondContact O-N 2.84Å; M669-S672 WeakPolarHBondContact O-CB 3.18Å; M669-S672 PolarHBondContact O-N 3.09Å; M669-S672 VanDerWaalsContact O-N 3.16Å; M669-Q673 PolarHBondContact O-N 2.79Å; M669-Y690 HydrophobicContact CG-CD1 4.14Å; M669-Y690 HydrophobicContact CG-CD2 4.14Å; M669-Y690 HydrophobicContact CG-CE1 4.38Å; M669-Y690 HydrophobicContact CG-CE2 4.39Å; M669-Y690 HydrophobicContact CG-CG 4.01Å; M669-I692 HydrophobicContact SD-CD1 4.36Å; M669-T700 HydrophobicContact SD-CG2 3.41Å; M669-T700 WeakPolarHBondContact SD-CG2 3.44Å |
| 670 | T | 93.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -37.3 | -178.2 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | I576 D580 H666 S667 S672 Q673 W674 | I576-T670 HydrophobicContact CD1-CG2 4.32Å; D580-T670 HydrophobicContact CB-CG2 3.86Å; H666-T670 WeakPolarHBondContact O-CB 3.43Å; H666-T670 WeakPolarHBondContact O-CG2 3.4Å; H666-T670 PolarHBondContact O-N 3.07Å; H666-T670 PolarHBondContact O-OG1 3.37Å; S667-T670 WeakPolarHBondContact CA-OG1 3.26Å; S667-T670 PolarHBondContact O-OG1 3.18Å; T670-S672 VanDerWaalsContact C-N 3.34Å; T670-Q673 PolarHBondContact O-N 3.42Å; T670-W674 WeakPolarHBondContact O-CB 3.27Å; T670-W674 PolarHBondContact O-N 3.38Å |
| 671 | L | 95.6 | Very high | 93 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 171.8 | -72.9 | 171.8 | 0 | 0 | 0 | 111.9 | I576 L639 L642 T662 S667 W674 I675 I724 Y744 | I576-L671 HydrophobicContact CG2-CD2 4.26Å; I576-L671 HydrophobicContact CG2-CG 4.22Å; L639-L671 HydrophobicContact CD2-CD2 3.64Å; L642-L671 HydrophobicContact CD2-CD2 4.04Å; T662-L671 HydrophobicContact CG2-CD1 4.49Å; S667-L671 WeakPolarHBondContact O-CB 3.31Å; S667-L671 WeakPolarHBondContact O-CD1 3.39Å; S667-L671 WeakPolarHBondContact O-CG 2.94Å; S667-L671 PolarHBondContact O-N 3.11Å; L671-W674 HydrophobicContact CD2-CE3 4.03Å; L671-W674 HydrophobicContact CD2-CZ3 4.43Å; L671-W674 PolarHBondContact O-N 2.93Å; L671-I675 WeakPolarHBondContact O-CG1 3.31Å; L671-I675 PolarHBondContact O-N 2.87Å; L671-I675 VanDerWaalsContact O-N 3.09Å; L671-I724 HydrophobicContact CB-CD1 4.07Å; L671-I724 HydrophobicContact CB-CG2 4.09Å; L671-I724 HydrophobicContact CD1-CG2 4.35Å; L671-Y744 HydrophobicContact CD1-CD1 3.86Å; L671-Y744 HydrophobicContact CD1-CE1 4.06Å; L671-Y744 HydrophobicContact CD2-CE1 4.36Å |
| 672 | S | 96.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 174.8 | -166.3 | 0 | 0 | 0 | 0 | 111 | A668 M669 T670 I675 Q676 Y690 I724 | A668-S672 WeakPolarHBondContact O-CB 3.28Å; A668-S672 PolarHBondContact O-N 3.36Å; A668-S672 VanDerWaalsContact O-N 3.12Å; M669-S672 WeakPolarHBondContact O-CB 3.18Å; M669-S672 PolarHBondContact O-N 3.09Å; M669-S672 VanDerWaalsContact O-N 3.16Å; T670-S672 VanDerWaalsContact C-N 3.34Å; S672-I675 PolarHBondContact O-N 3.49Å; S672-Q676 VanDerWaalsContact O-CG 3.3Å; S672-Q676 WeakPolarHBondContact O-CG 3.3Å; S672-Q676 PolarHBondContact O-N 3.37Å; S672-Y690 PolarHBondContact OG-N 3.44Å; S672-I724 VanDerWaalsContact N-CD1 3.29Å |
| 673 | Q | 94.7 | Very high | 92.6 | Very high | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.2 | -177.3 | 174.9 | 2.6 | 0 | 0 | 111.7 | M669 T670 I675 Q676 E677 | M669-Q673 PolarHBondContact O-N 2.79Å; T670-Q673 PolarHBondContact O-N 3.42Å; Q673-I675 VanDerWaalsContact C-N 3.29Å; Q673-I675 PolarHBondContact O-N 3.47Å; Q673-Q676 PolarHBondContact O-N 3.07Å; Q673-Q676 VanDerWaalsContact O-N 3.15Å; Q673-E677 HydrophobicContact CG-CG 4.21Å; Q673-E677 WeakPolarHBondContact CG-OE1 3.29Å; Q673-E677 PolarHBondContact NE2-OE1 3.06Å; Q673-E677 WeakPolarHBondContact O-CB 3.44Å; Q673-E677 WeakPolarHBondContact O-CG 2.92Å; Q673-E677 PolarHBondContact O-N 3.28Å |
| 674 | W | 94.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -39 | 176.3 | 169.2 | 60 | 0 | 0 | 0 | 113.3 | L639 L642 R643 I646 T670 L671 N678 F681 | L639-W674 HydrophobicContact CB-CH2 4.4Å; L639-W674 HydrophobicContact CB-CZ2 4.1Å; L639-W674 HydrophobicContact CD2-CD2 4.15Å; L639-W674 HydrophobicContact CD2-CE3 4.05Å; L639-W674 HydrophobicContact CD2-CH2 4.03Å; L639-W674 HydrophobicContact CD2-CZ2 4.13Å; L639-W674 HydrophobicContact CD2-CZ3 4.02Å; L642-W674 HydrophobicContact CD2-CH2 4.49Å; L642-W674 HydrophobicContact CD2-CZ3 3.91Å; L642-W674 HydrophobicContact CG-CZ3 4.26Å; R643-W674 HydrophobicContact CB-CH2 3.79Å; R643-W674 HydrophobicContact CB-CZ2 3.97Å; I646-W674 HydrophobicContact CD1-CZ3 4.48Å; T670-W674 WeakPolarHBondContact O-CB 3.27Å; T670-W674 PolarHBondContact O-N 3.38Å; L671-W674 HydrophobicContact CD2-CE3 4.03Å; L671-W674 HydrophobicContact CD2-CZ3 4.43Å; L671-W674 PolarHBondContact O-N 2.93Å; W674-N678 WeakPolarHBondContact O-CB 3.45Å; W674-N678 PolarHBondContact O-N 3.29Å; W674-F681 HydrophobicContact CH2-CE2 4.25Å; W674-F681 HydrophobicContact CH2-CZ 4.11Å; W674-F681 HydrophobicContact CZ2-CE2 4.35Å; W674-F681 HydrophobicContact CZ3-CE2 4.37Å; W674-F681 HydrophobicContact CZ3-CZ 4.37Å |
| 675 | I | 95.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 176.5 | -64.8 | 177.1 | 0 | 0 | 0 | 110.6 | I646 I660 L671 S672 Q673 E677 N678 F681 V686 P688 L722 I724 | I646-I675 HydrophobicContact CD1-CD1 3.87Å; I660-I675 HydrophobicContact CD1-CD1 4.35Å; L671-I675 WeakPolarHBondContact O-CG1 3.31Å; L671-I675 PolarHBondContact O-N 2.87Å; L671-I675 VanDerWaalsContact O-N 3.09Å; S672-I675 PolarHBondContact O-N 3.49Å; Q673-I675 VanDerWaalsContact C-N 3.29Å; Q673-I675 PolarHBondContact O-N 3.47Å; I675-E677 PolarHBondContact O-N 2.72Å; I675-N678 PolarHBondContact O-N 2.87Å; I675-F681 HydrophobicContact CB-CD2 4.03Å; I675-F681 HydrophobicContact CB-CE2 4.29Å; I675-F681 HydrophobicContact CG1-CD2 4.19Å; I675-F681 HydrophobicContact CG1-CE2 3.95Å; I675-F681 HydrophobicContact CG1-CZ 4.43Å; I675-F681 HydrophobicContact CG2-CB 3.9Å; I675-F681 HydrophobicContact CG2-CD1 4.44Å; I675-F681 HydrophobicContact CG2-CD2 3.68Å; I675-F681 HydrophobicContact CG2-CE2 4.27Å; I675-F681 HydrophobicContact CG2-CG 3.78Å; I675-V686 HydrophobicContact CG2-CG1 3.67Å; I675-P688 HydrophobicContact CB-CB 4.24Å; I675-P688 HydrophobicContact CB-CG 3.89Å; I675-P688 HydrophobicContact CG2-CB 3.98Å; I675-P688 HydrophobicContact CG2-CG 3.59Å; I675-L722 HydrophobicContact CD1-CD2 3.57Å; I675-I724 HydrophobicContact CD1-CD1 3.93Å |
| 676 | Q | 94.8 | Very high | 93.1 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.2 | -36.7 | 178.8 | -70.5 | 170.5 | -12 | 0 | 0 | 113 | S672 Q673 N678 P688 | S672-Q676 VanDerWaalsContact O-CG 3.3Å; S672-Q676 WeakPolarHBondContact O-CG 3.3Å; S672-Q676 PolarHBondContact O-N 3.37Å; Q673-Q676 PolarHBondContact O-N 3.07Å; Q673-Q676 VanDerWaalsContact O-N 3.15Å; Q676-N678 VanDerWaalsContact C-N 3.33Å; Q676-P688 HydrophobicContact CG-CG 3.54Å; Q676-P688 PolarHBondContact NE2-O 2.8Å |
| 677 | E | 92.5 | Very high | 93.4 | Very high | 107 Ų | 107 | 53.1 Ų | 53.1 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79.4 | -13.5 | -178.2 | -71.6 | 172.8 | 176.4 | 0 | 0 | 113.6 | R577 Q673 I675 | R577-E677 IonicContact CZ-OE2 3.52Å; R577-E677 IonicContact NH1-OE2 2.93Å; R577-E677 PolarHBondContact NH1-OE2 3.39Å; R577-E677 IonicContact NH2-OE2 3.79Å; R577-E677 PolarHBondContact NH2-OE2 3.31Å; Q673-E677 HydrophobicContact CG-CG 4.21Å; Q673-E677 WeakPolarHBondContact CG-OE1 3.29Å; Q673-E677 PolarHBondContact NE2-OE1 3.06Å; Q673-E677 WeakPolarHBondContact O-CB 3.44Å; Q673-E677 WeakPolarHBondContact O-CG 2.92Å; Q673-E677 PolarHBondContact O-N 3.28Å; I675-E677 PolarHBondContact O-N 2.72Å |
| 678 | N | 89.9 | Confident | 93.7 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | trans | -98.4 | 113 | -175.8 | -179.4 | -15.2 | 0 | 0 | 0 | 111 | W674 I675 Q676 K680 F681 | W674-N678 WeakPolarHBondContact O-CB 3.45Å; W674-N678 PolarHBondContact O-N 3.29Å; I675-N678 PolarHBondContact O-N 2.87Å; Q676-N678 VanDerWaalsContact C-N 3.33Å; N678-K680 PolarHBondContact O-N 3.24Å; N678-K680 VanDerWaalsContact O-N 3.11Å; N678-K680 WeakPolarHBondContact OD1-CB 3.49Å; N678-K680 PolarHBondContact OD1-N 2.96Å; N678-F681 HydrophobicContact CB-CD2 3.76Å; N678-F681 HydrophobicContact CB-CE2 4.16Å; N678-F681 PolarHBondContact O-N 2.95Å; N678-F681 VanDerWaalsContact O-N 3.07Å | ||
| 679 | P | 91.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 54 Ų | 54 | 56% | 0.558 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.2 | -28.8 | -172.2 | 23.9 | -34 | 0 | 0 | 0 | 113.1 | F681 A682 D683 | P679-F681 PolarHBondContact O-N 3.49Å; P679-F681 VanDerWaalsContact O-N 3.12Å; P679-A682 WeakPolarHBondContact O-CA 3.33Å; P679-A682 WeakPolarHBondContact O-CB 3.48Å; P679-A682 PolarHBondContact O-N 3.33Å; P679-D683 PolarHBondContact O-N 3.47Å |
| 680 | K | 91.8 | Very high | 94 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -26.5 | 179.1 | -64.7 | -174.9 | 177.6 | -178 | 0 | 113.4 | N678 | N678-K680 PolarHBondContact O-N 3.24Å; N678-K680 VanDerWaalsContact O-N 3.11Å; N678-K680 WeakPolarHBondContact OD1-CB 3.49Å; N678-K680 PolarHBondContact OD1-N 2.96Å |
| 681 | F | 94.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81.4 | -37.1 | 175.1 | -69.6 | -54.2 | 0 | 0 | 0 | 111.4 | R643 I646 L647 W674 I675 N678 P679 D683 I684 E685 V686 | R643-F681 HydrophobicContact CB-CZ 4.19Å; R643-F681 HydrophobicContact CG-CE1 4.42Å; R643-F681 HydrophobicContact CG-CZ 3.86Å; I646-F681 HydrophobicContact CB-CE1 3.91Å; I646-F681 HydrophobicContact CD1-CE1 4.49Å; I646-F681 HydrophobicContact CD1-CZ 4.42Å; I646-F681 HydrophobicContact CG2-CD1 3.97Å; I646-F681 HydrophobicContact CG2-CE1 3.54Å; I646-F681 HydrophobicContact CG2-CZ 4.44Å; L647-F681 HydrophobicContact CD2-CD1 3.66Å; L647-F681 HydrophobicContact CD2-CE1 3.73Å; L647-F681 HydrophobicContact CG-CD1 4.36Å; L647-F681 HydrophobicContact CG-CE1 3.91Å; W674-F681 HydrophobicContact CH2-CE2 4.25Å; W674-F681 HydrophobicContact CH2-CZ 4.11Å; W674-F681 HydrophobicContact CZ2-CE2 4.35Å; W674-F681 HydrophobicContact CZ3-CE2 4.37Å; W674-F681 HydrophobicContact CZ3-CZ 4.37Å; I675-F681 HydrophobicContact CB-CD2 4.03Å; I675-F681 HydrophobicContact CB-CE2 4.29Å; I675-F681 HydrophobicContact CG1-CD2 4.19Å; I675-F681 HydrophobicContact CG1-CE2 3.95Å; I675-F681 HydrophobicContact CG1-CZ 4.43Å; I675-F681 HydrophobicContact CG2-CB 3.9Å; I675-F681 HydrophobicContact CG2-CD1 4.44Å; I675-F681 HydrophobicContact CG2-CD2 3.68Å; I675-F681 HydrophobicContact CG2-CE2 4.27Å; I675-F681 HydrophobicContact CG2-CG 3.78Å; N678-F681 HydrophobicContact CB-CD2 3.76Å; N678-F681 HydrophobicContact CB-CE2 4.16Å; N678-F681 PolarHBondContact O-N 2.95Å; N678-F681 VanDerWaalsContact O-N 3.07Å; P679-F681 PolarHBondContact O-N 3.49Å; P679-F681 VanDerWaalsContact O-N 3.12Å; F681-D683 VanDerWaalsContact C-N 3.34Å; F681-I684 WeakPolarHBondContact O-CG1 3.25Å; F681-I684 PolarHBondContact O-N 2.77Å; F681-E685 PolarHBondContact O-N 2.78Å; F681-V686 HydrophobicContact CB-CB 4Å; F681-V686 HydrophobicContact CB-CG1 4.49Å; F681-V686 HydrophobicContact CB-CG2 4.46Å; F681-V686 HydrophobicContact CD1-CG2 4.33Å; F681-V686 WeakPolarHBondContact O-CB 3.25Å; F681-V686 PolarHBondContact O-N 3.43Å |
| 682 | A | 90.6 | Very high | 94 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P679 I684 E685 | P679-A682 WeakPolarHBondContact O-CA 3.33Å; P679-A682 WeakPolarHBondContact O-CB 3.48Å; P679-A682 PolarHBondContact O-N 3.33Å; A682-I684 PolarHBondContact O-N 3.32Å; A682-I684 VanDerWaalsContact O-N 3.16Å; A682-E685 PolarHBondContact O-N 2.97Å |
| 683 | D | 90.8 | Very high | 93.6 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 68% | 0.679 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.4 | 178.7 | -65.5 | -23.1 | 0 | 0 | 0 | 113.6 | P679 F681 | P679-D683 PolarHBondContact O-N 3.47Å; F681-D683 VanDerWaalsContact C-N 3.34Å |
| 684 | I | 91.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 22 | 176.5 | 61 | 165 | 0 | 0 | 0 | 112.1 | L647 F650 F681 A682 V686 | L647-I684 HydrophobicContact CD2-CD1 3.52Å; L647-I684 HydrophobicContact CD2-CG1 4.39Å; F650-I684 HydrophobicContact CB-CD1 3.7Å; F681-I684 WeakPolarHBondContact O-CG1 3.25Å; F681-I684 PolarHBondContact O-N 2.77Å; A682-I684 PolarHBondContact O-N 3.32Å; A682-I684 VanDerWaalsContact O-N 3.16Å; I684-V686 VanDerWaalsContact C-N 3.32Å; I684-V686 HydrophobicContact CD1-CG2 3.91Å; I684-V686 HydrophobicContact CG1-CG2 3.89Å; I684-V686 PolarHBondContact O-N 2.96Å |
| 685 | E | 92.1 | Very high | 92.1 | Very high | 129 Ų | 129 | 54.8 Ų | 54.8 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.6 | 175.5 | -55.2 | -170 | 178.4 | 0 | 0 | 115.5 | F681 A682 K687 N721 | F681-E685 PolarHBondContact O-N 2.78Å; A682-E685 PolarHBondContact O-N 2.97Å; E685-K687 PolarHBondContact O-N 2.63Å; E685-N721 PolarHBondContact O-ND2 2.65Å |
| 686 | V | 95.7 | Very high | 90.9 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | trans | -73.1 | 117.7 | 171.1 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | F650 I675 F681 I684 P688 L722 | F650-V686 HydrophobicContact CB-CG2 4.12Å; F650-V686 HydrophobicContact CD1-CG2 3.74Å; F650-V686 HydrophobicContact CD2-CG2 3.53Å; F650-V686 HydrophobicContact CE1-CG2 4.02Å; F650-V686 HydrophobicContact CE2-CG1 4.07Å; F650-V686 HydrophobicContact CE2-CG2 3.73Å; F650-V686 HydrophobicContact CG-CG2 3.53Å; F650-V686 HydrophobicContact CZ-CG1 4.19Å; F650-V686 HydrophobicContact CZ-CG2 4.01Å; I675-V686 HydrophobicContact CG2-CG1 3.67Å; F681-V686 HydrophobicContact CB-CB 4Å; F681-V686 HydrophobicContact CB-CG1 4.49Å; F681-V686 HydrophobicContact CB-CG2 4.46Å; F681-V686 HydrophobicContact CD1-CG2 4.33Å; F681-V686 WeakPolarHBondContact O-CB 3.25Å; F681-V686 PolarHBondContact O-N 3.43Å; I684-V686 VanDerWaalsContact C-N 3.32Å; I684-V686 HydrophobicContact CD1-CG2 3.91Å; I684-V686 HydrophobicContact CG1-CG2 3.89Å; I684-V686 PolarHBondContact O-N 2.96Å; V686-P688 VanDerWaalsContact O-CD 3.31Å; V686-P688 WeakPolarHBondContact O-CD 3.21Å; V686-L722 HydrophobicContact CG1-CB 4.29Å; V686-L722 HydrophobicContact CG1-CD2 3.8Å | ||
| 687 | K | 95.8 | Very high | 89.4 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 39% | 0.391 | 36% | 0.358 | S | S | . | . | trans | -116.2 | 87.2 | -176.9 | -63.5 | 170.5 | -164.7 | 171 | 0 | 108.8 | E685 E719 N721 L722 | E685-K687 PolarHBondContact O-N 2.63Å; K687-E719 WeakPolarHBondContact CB-O 3.4Å; K687-E719 WeakPolarHBondContact CD-O 2.98Å; K687-N721 PolarHBondContact N-OD1 3.41Å; K687-N721 PolarHBondContact O-N 3.1Å; K687-N721 VanDerWaalsContact O-N 3.07Å; K687-N721 PolarHBondContact O-OD1 3.27Å; K687-L722 PolarHBondContact O-N 3.35Å | ||
| 688 | P | 97.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 151.2 | -174.5 | 37.6 | -39.9 | 0 | 0 | 0 | 112.6 | I675 Q676 V686 L722 I724 | I675-P688 HydrophobicContact CB-CB 4.24Å; I675-P688 HydrophobicContact CB-CG 3.89Å; I675-P688 HydrophobicContact CG2-CB 3.98Å; I675-P688 HydrophobicContact CG2-CG 3.59Å; Q676-P688 HydrophobicContact CG-CG 3.54Å; Q676-P688 PolarHBondContact NE2-O 2.8Å; V686-P688 VanDerWaalsContact O-CD 3.31Å; V686-P688 WeakPolarHBondContact O-CD 3.21Å; P688-L722 CarbonylContact C-O 3.53Å; P688-L722 VanDerWaalsContact CA-O 3.27Å; P688-L722 WeakPolarHBondContact CA-O 3.43Å; P688-L722 HydrophobicContact CB-CB 4.32Å; P688-L722 HydrophobicContact CB-CD2 4.38Å; P688-I724 HydrophobicContact CB-CD1 4.31Å |
| 689 | S | 97.6 | Very high | 87.4 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 11% | 0.112 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.9 | 162.7 | -175 | 0 | 0 | 0 | 0 | 110.5 | L722 L723 I724 | S689-L722 PolarHBondContact N-O 2.99Å; S689-L723 WeakPolarHBondContact O-CA 3.43Å; S689-I724 PolarHBondContact O-N 3.25Å |
| 690 | Y | 97 | Very high | 86.7 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 153 | 168.8 | 62.9 | -95.8 | 0 | 0 | 0 | 111.1 | M669 S672 I692 M703 I724 | M669-Y690 HydrophobicContact CG-CD1 4.14Å; M669-Y690 HydrophobicContact CG-CD2 4.14Å; M669-Y690 HydrophobicContact CG-CE1 4.38Å; M669-Y690 HydrophobicContact CG-CE2 4.39Å; M669-Y690 HydrophobicContact CG-CG 4.01Å; S672-Y690 PolarHBondContact OG-N 3.44Å; Y690-I692 HydrophobicContact CD2-CD1 4.34Å; Y690-I692 HydrophobicContact CD2-CG1 4.2Å; Y690-I692 HydrophobicContact CE2-CD1 4.41Å; Y690-I692 HydrophobicContact CE2-CG1 4.48Å; Y690-M703 HydrophobicContact CD2-CG 4.42Å; Y690-M703 HydrophobicContact CD2-SD 3.75Å; Y690-M703 HydrophobicContact CE2-CG 3.92Å; Y690-M703 HydrophobicContact CE2-SD 3.74Å; Y690-I724 CarbonylContact C-O 3.54Å; Y690-I724 VanDerWaalsContact CA-O 3.26Å; Y690-I724 WeakPolarHBondContact CA-O 3.23Å |
| 691 | F | 95.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 99 | 178.4 | -171.7 | -100 | 0 | 0 | 0 | 110.6 | M703 Q708 V711 L712 I724 A725 T726 V728 A729 L733 | F691-M703 HydrophobicContact CD2-CE 4.48Å; F691-Q708 HydrophobicContact CD2-CG 4.49Å; F691-Q708 HydrophobicContact CE2-CB 3.64Å; F691-Q708 HydrophobicContact CE2-CG 3.81Å; F691-Q708 HydrophobicContact CZ-CB 4.06Å; F691-Q708 HydrophobicContact CZ-CG 4.11Å; F691-V711 HydrophobicContact CD2-CB 4.23Å; F691-V711 HydrophobicContact CD2-CG1 3.9Å; F691-L712 HydrophobicContact CE2-CD1 4.19Å; F691-L712 HydrophobicContact CE2-CD2 4.08Å; F691-L712 HydrophobicContact CE2-CG 3.8Å; F691-L712 HydrophobicContact CZ-CD1 4.01Å; F691-L712 HydrophobicContact CZ-CD2 4.19Å; F691-L712 HydrophobicContact CZ-CG 4.06Å; F691-I724 PolarHBondContact N-O 3.14Å; F691-A725 HydrophobicContact CB-CB 4.13Å; F691-A725 HydrophobicContact CD1-CB 4.28Å; F691-A725 VanDerWaalsContact O-CA 3.22Å; F691-A725 WeakPolarHBondContact O-CA 3.29Å; F691-T726 PolarHBondContact O-N 2.89Å; F691-V728 HydrophobicContact CD1-CG1 3.52Å; F691-V728 HydrophobicContact CE1-CB 4.41Å; F691-V728 HydrophobicContact CE1-CG1 3.67Å; F691-V728 HydrophobicContact CE1-CG2 4Å; F691-V728 VanDerWaalsContact O-CG1 3.27Å; F691-V728 WeakPolarHBondContact O-CG1 3.38Å; F691-A729 HydrophobicContact CD1-CB 3.89Å; F691-A729 HydrophobicContact CE1-CB 4.13Å; F691-L733 HydrophobicContact CE1-CD1 3.71Å; F691-L733 HydrophobicContact CZ-CD1 3.67Å |
| 692 | I | 93.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -122.3 | 158 | -170 | 60 | 174 | 0 | 0 | 0 | 112 | R665 A668 M669 Y690 K701 M703 Q708 T726 | R665-I692 HydrophobicContact CB-CB 4.5Å; R665-I692 HydrophobicContact CB-CD1 4.15Å; R665-I692 HydrophobicContact CB-CG2 4.2Å; R665-I692 HydrophobicContact CG-CB 4.06Å; R665-I692 HydrophobicContact CG-CD1 4.26Å; R665-I692 HydrophobicContact CG-CG2 4.17Å; A668-I692 HydrophobicContact CB-CG2 3.74Å; M669-I692 HydrophobicContact SD-CD1 4.36Å; Y690-I692 HydrophobicContact CD2-CD1 4.34Å; Y690-I692 HydrophobicContact CD2-CG1 4.2Å; Y690-I692 HydrophobicContact CE2-CD1 4.41Å; Y690-I692 HydrophobicContact CE2-CG1 4.48Å; I692-K701 VanDerWaalsContact CD1-O 3.31Å; I692-K701 WeakPolarHBondContact CD1-O 3.36Å; I692-M703 HydrophobicContact CD1-CG 4.15Å; I692-M703 HydrophobicContact CG1-CB 4.11Å; I692-M703 HydrophobicContact CG1-CG 3.48Å; I692-M703 VanDerWaalsContact CG1-CG 3.48Å; I692-M703 HydrophobicContact CG1-SD 3.65Å; I692-M703 PolarHBondContact N-SD 3.35Å; I692-Q708 PolarHBondContact O-NE2 2.75Å; I692-T726 HydrophobicContact CG2-CG2 4.18Å | ||
| 693 | G | 87.3 | Confident | 85.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | trans | -69.9 | 157.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R665 | R665-G693 VanDerWaalsContact CZ-O 3.29Å; R665-G693 PolarHBondContact NH2-O 3.44Å | ||
| 694 | G | 81.8 | Confident | 85.5 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | trans | -90.4 | 2.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | M703 | G694-M703 WeakPolarHBondContact CA-O 3.31Š| ||
| 695 | G | 77.9 | Confident | 85.1 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | trans | -76.3 | 146.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R665 Q697 | R665-G695 PolarHBondContact NH1-O 2.76Å; R665-G695 PolarHBondContact NH2-O 2.77Å; G695-Q697 VanDerWaalsContact C-N 3.33Å; G695-Q697 PolarHBondContact O-N 2.93Å | ||
| 696 | D | 68.3 | Low | 84.8 | Confident | 138 Ų | 138 | 56 Ų | 56 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -92.5 | 22.5 | -174.3 | -158.5 | 30.9 | 0 | 0 | 0 | 114.6 | ||
| 697 | Q | 64.6 | Low | 84.5 | Confident | 202 Ų | 202 | 59.3 Ų | 59.3 | 94% | 0.944 | 35% | 0.346 | S | S | * | . | trans | -93.2 | 6.1 | -173.3 | -62.2 | -178.7 | 13.1 | 0 | 0 | 114.2 | G695 | G695-Q697 VanDerWaalsContact C-N 3.33Å; G695-Q697 PolarHBondContact O-N 2.93Å | ||
| 698 | S | 71.9 | Confident | 84.3 | Confident | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -121.7 | 148.2 | -175.8 | 176 | 0 | 0 | 0 | 0 | 110.2 | T700 | S698-T700 PolarHBondContact O-N 3.32Å; S698-T700 VanDerWaalsContact O-N 3.09Å; S698-T700 PolarHBondContact OG-N 3.17Å |
| 699 | D | 67.3 | Low | 83.9 | Confident | 150 Ų | 150 | 62.5 Ų | 62.5 | 80% | 0.802 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -64.4 | -11.3 | 175 | -53.2 | -31.1 | 0 | 0 | 0 | 113.1 | ||
| 700 | T | 77.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 16% | 0.16 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -97.4 | 130.6 | 174.1 | -50.1 | 0 | 0 | 0 | 0 | 110.9 | R665 M669 S698 | R665-T700 HydrophobicContact CB-CG2 3.68Å; R665-T700 PolarHBondContact NH1-O 2.9Å; R665-T700 VanDerWaalsContact NH1-O 3.15Å; M669-T700 HydrophobicContact SD-CG2 3.41Å; M669-T700 WeakPolarHBondContact SD-CG2 3.44Å; S698-T700 PolarHBondContact O-N 3.32Å; S698-T700 VanDerWaalsContact O-N 3.09Å; S698-T700 PolarHBondContact OG-N 3.17Å |
| 701 | K | 80.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | trans | -45.6 | 124.5 | 177.1 | -170.9 | 179.7 | -178.5 | -178.4 | 0 | 110.9 | I692 E887 | I692-K701 VanDerWaalsContact CD1-O 3.31Å; I692-K701 WeakPolarHBondContact CD1-O 3.36Å; K701-E887 IonicContact NZ-OE2 3.41Å; K701-E887 PolarHBondContact NZ-OE2 3.4Å | ||
| 702 | P | 86.4 | Confident | 83.4 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 160.1 | 174 | 26.7 | -30.7 | 0 | 0 | 0 | 111.5 | ||
| 703 | M | 87.9 | Confident | 83.4 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 3% | 0.034 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 137.1 | 162.8 | -75.2 | 173.6 | 77.3 | 0 | 0 | 110.5 | Y690 F691 I692 G694 E707 Q708 V711 | Y690-M703 HydrophobicContact CD2-CG 4.42Å; Y690-M703 HydrophobicContact CD2-SD 3.75Å; Y690-M703 HydrophobicContact CE2-CG 3.92Å; Y690-M703 HydrophobicContact CE2-SD 3.74Å; F691-M703 HydrophobicContact CD2-CE 4.48Å; I692-M703 HydrophobicContact CD1-CG 4.15Å; I692-M703 HydrophobicContact CG1-CB 4.11Å; I692-M703 HydrophobicContact CG1-CG 3.48Å; I692-M703 VanDerWaalsContact CG1-CG 3.48Å; I692-M703 HydrophobicContact CG1-SD 3.65Å; I692-M703 PolarHBondContact N-SD 3.35Å; G694-M703 WeakPolarHBondContact CA-O 3.31Å; M703-E707 WeakPolarHBondContact CA-OE2 3.45Å; M703-E707 HydrophobicContact CB-CB 4.36Å; M703-E707 HydrophobicContact CE-CB 3.91Å; M703-Q708 HydrophobicContact CB-CG 3.96Å; M703-Q708 HydrophobicContact CE-CG 4.22Å; M703-V711 HydrophobicContact CE-CB 4.42Å; M703-V711 HydrophobicContact CE-CG2 3.75Å |
| 704 | T | 86.6 | Confident | 83.8 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 161.5 | 171 | 70.3 | 0 | 0 | 0 | 0 | 111 | A706 E707 Q708 | T704-A706 PolarHBondContact O-N 3.23Å; T704-E707 PolarHBondContact N-OE2 2.81Å; T704-E707 PolarHBondContact O-N 3.41Å; T704-E707 VanDerWaalsContact OG1-CG 3.29Å; T704-E707 WeakPolarHBondContact OG1-CG 3.45Å; T704-E707 PolarHBondContact OG1-N 2.88Å; T704-E707 PolarHBondContact OG1-OE2 2.99Å; T704-Q708 WeakPolarHBondContact O-CG 3.36Å; T704-Q708 PolarHBondContact O-N 2.98Å |
| 705 | A | 83.4 | Confident | 84.5 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K709 | A705-K709 WeakPolarHBondContact O-CB 3.15Å; A705-K709 PolarHBondContact O-N 3.25Å |
| 706 | A | 85.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 60% | 0.595 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.5 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | T704 Q708 K709 D710 | T704-A706 PolarHBondContact O-N 3.23Å; A706-Q708 VanDerWaalsContact C-N 3.34Å; A706-Q708 PolarHBondContact O-N 2.89Å; A706-K709 PolarHBondContact O-N 3.36Å; A706-D710 PolarHBondContact O-N 3.47Å |
| 707 | E | 90.4 | Very high | 86.3 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 175.9 | -71.7 | 167 | 160.6 | 0 | 0 | 111.6 | M703 T704 K709 D710 V711 | M703-E707 WeakPolarHBondContact CA-OE2 3.45Å; M703-E707 HydrophobicContact CB-CB 4.36Å; M703-E707 HydrophobicContact CE-CB 3.91Å; T704-E707 PolarHBondContact N-OE2 2.81Å; T704-E707 PolarHBondContact O-N 3.41Å; T704-E707 VanDerWaalsContact OG1-CG 3.29Å; T704-E707 WeakPolarHBondContact OG1-CG 3.45Å; T704-E707 PolarHBondContact OG1-N 2.88Å; T704-E707 PolarHBondContact OG1-OE2 2.99Å; E707-K709 VanDerWaalsContact C-N 3.35Å; E707-K709 PolarHBondContact O-N 3.4Å; E707-D710 PolarHBondContact O-N 3.1Å; E707-V711 WeakPolarHBondContact O-CG2 3.29Å; E707-V711 PolarHBondContact O-N 3.01Å |
| 708 | Q | 90.7 | Very high | 87.6 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.7 | -72.9 | 178.4 | -4.1 | 0 | 0 | 111.9 | F691 I692 M703 T704 A706 D710 V711 L712 | F691-Q708 HydrophobicContact CD2-CG 4.49Å; F691-Q708 HydrophobicContact CE2-CB 3.64Å; F691-Q708 HydrophobicContact CE2-CG 3.81Å; F691-Q708 HydrophobicContact CZ-CB 4.06Å; F691-Q708 HydrophobicContact CZ-CG 4.11Å; I692-Q708 PolarHBondContact O-NE2 2.75Å; M703-Q708 HydrophobicContact CB-CG 3.96Å; M703-Q708 HydrophobicContact CE-CG 4.22Å; T704-Q708 WeakPolarHBondContact O-CG 3.36Å; T704-Q708 PolarHBondContact O-N 2.98Å; A706-Q708 VanDerWaalsContact C-N 3.34Å; A706-Q708 PolarHBondContact O-N 2.89Å; Q708-D710 VanDerWaalsContact C-N 3.34Å; Q708-V711 PolarHBondContact O-N 3.5Å; Q708-L712 WeakPolarHBondContact O-CG 3.22Å; Q708-L712 PolarHBondContact O-N 3.44Å; Q708-L712 VanDerWaalsContact O-N 3.1Å |
| 709 | K | 88.9 | Confident | 88.8 | Confident | 145 Ų | 145 | 66.5 Ų | 66.5 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 178.3 | -173.7 | 180 | 179.3 | -178.5 | 0 | 111.5 | A705 A706 E707 L712 K713 | A705-K709 WeakPolarHBondContact O-CB 3.15Å; A705-K709 PolarHBondContact O-N 3.25Å; A706-K709 PolarHBondContact O-N 3.36Å; E707-K709 VanDerWaalsContact C-N 3.35Å; E707-K709 PolarHBondContact O-N 3.4Å; K709-L712 PolarHBondContact O-N 3.33Å; K709-K713 WeakPolarHBondContact O-CB 3.36Å; K709-K713 PolarHBondContact O-N 2.82Å |
| 710 | D | 92.6 | Very high | 90.1 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -50.5 | 176.8 | -177.7 | 61.3 | 0 | 0 | 0 | 111.8 | A706 E707 Q708 L712 K713 R714 | A706-D710 PolarHBondContact O-N 3.47Å; E707-D710 PolarHBondContact O-N 3.1Å; Q708-D710 VanDerWaalsContact C-N 3.34Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 2.95Å; D710-K713 WeakPolarHBondContact O-CB 3.21Å; D710-K713 PolarHBondContact O-N 3.3Å; D710-R714 VanDerWaalsContact O-CG 3.32Å; D710-R714 WeakPolarHBondContact O-CG 3.47Å; D710-R714 PolarHBondContact O-N 2.88Å; D710-R714 WeakPolarHBondContact OD2-CD 3.47Å; D710-R714 IonicContact OD2-NH1 3.02Å |
| 711 | V | 95 | Very high | 91 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | F691 M703 E707 Q708 R714 F715 L720 L723 | F691-V711 HydrophobicContact CD2-CB 4.23Å; F691-V711 HydrophobicContact CD2-CG1 3.9Å; M703-V711 HydrophobicContact CE-CB 4.42Å; M703-V711 HydrophobicContact CE-CG2 3.75Å; E707-V711 WeakPolarHBondContact O-CG2 3.29Å; E707-V711 PolarHBondContact O-N 3.01Å; Q708-V711 PolarHBondContact O-N 3.5Å; V711-R714 PolarHBondContact O-N 3.17Å; V711-F715 VanDerWaalsContact O-CB 3.3Å; V711-F715 WeakPolarHBondContact O-CB 3.36Å; V711-F715 PolarHBondContact O-N 3Å; V711-L720 HydrophobicContact CG1-CD1 4.12Å; V711-L723 HydrophobicContact CG1-CD2 3.64Å |
| 712 | L | 92.8 | Very high | 91.8 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 176.6 | -69.1 | 178.9 | 0 | 0 | 0 | 112.7 | F691 Q708 K709 D710 K716 L723 L733 I735 | F691-L712 HydrophobicContact CE2-CD1 4.19Å; F691-L712 HydrophobicContact CE2-CD2 4.08Å; F691-L712 HydrophobicContact CE2-CG 3.8Å; F691-L712 HydrophobicContact CZ-CD1 4.01Å; F691-L712 HydrophobicContact CZ-CD2 4.19Å; F691-L712 HydrophobicContact CZ-CG 4.06Å; Q708-L712 WeakPolarHBondContact O-CG 3.22Å; Q708-L712 PolarHBondContact O-N 3.44Å; Q708-L712 VanDerWaalsContact O-N 3.1Å; K709-L712 PolarHBondContact O-N 3.33Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 2.95Å; L712-K716 WeakPolarHBondContact O-CB 3.34Å; L712-K716 PolarHBondContact O-N 3.42Å; L712-L723 HydrophobicContact CD2-CD1 4.33Å; L712-L733 HydrophobicContact CD1-CD1 4.43Å; L712-I735 HydrophobicContact CD2-CG1 4.03Å |
| 713 | K | 93.3 | Very high | 92.4 | Very high | 155 Ų | 155 | 54.7 Ų | 54.7 | 67% | 0.674 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 175 | -177.5 | -173.8 | 174.3 | -168.5 | 0 | 110.8 | K709 D710 K716 S717 | K709-K713 WeakPolarHBondContact O-CB 3.36Å; K709-K713 PolarHBondContact O-N 2.82Å; D710-K713 WeakPolarHBondContact O-CB 3.21Å; D710-K713 PolarHBondContact O-N 3.3Å; K713-K716 WeakPolarHBondContact O-CB 3.44Å; K713-K716 PolarHBondContact O-N 3.4Å; K713-S717 PolarHBondContact O-N 3.2Å |
| 714 | R | 96.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.9 | -64.9 | 173.2 | 61.1 | -158.5 | -0.9 | 111.4 | D710 V711 K716 S717 G718 E719 L720 | D710-R714 VanDerWaalsContact O-CG 3.32Å; D710-R714 WeakPolarHBondContact O-CG 3.47Å; D710-R714 PolarHBondContact O-N 2.88Å; D710-R714 WeakPolarHBondContact OD2-CD 3.47Å; D710-R714 IonicContact OD2-NH1 3.02Å; V711-R714 PolarHBondContact O-N 3.17Å; R714-K716 PolarHBondContact O-N 2.83Å; R714-S717 WeakPolarHBondContact CA-OG 3.35Å; R714-S717 PolarHBondContact O-N 3.47Å; R714-S717 PolarHBondContact O-OG 3.02Å; R714-G718 PolarHBondContact O-N 3.44Å; R714-G718 VanDerWaalsContact O-N 3.13Å; R714-E719 HydrophobicContact CB-CB 4.27Å; R714-E719 VanDerWaalsContact CG-OE2 3.24Å; R714-E719 WeakPolarHBondContact CG-OE2 3.44Å; R714-E719 IonicContact CZ-OE1 2.71Å; R714-E719 VanDerWaalsContact NE-CD 3.25Å; R714-E719 IonicContact NE-OE1 3.08Å; R714-E719 PolarHBondContact NE-OE1 3.17Å; R714-E719 IonicContact NE-OE2 3.74Å; R714-E719 PolarHBondContact NE-OE2 2.97Å; R714-E719 IonicContact NH2-OE1 3.91Å; R714-E719 PolarHBondContact NH2-OE1 2.83Å; R714-E719 PolarHBondContact O-N 2.7Å; R714-E719 VanDerWaalsContact O-N 3.13Å; R714-L720 HydrophobicContact CB-CD1 3.73Å; R714-L720 HydrophobicContact CB-CG 3.92Å; R714-L720 PolarHBondContact O-N 3.22Å |
| 715 | F | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 172.2 | -172.4 | -104.6 | 0 | 0 | 0 | 113.3 | R657 V711 G718 L720 L723 I735 | R657-F715 HydrophobicContact CB-CE2 4.42Å; R657-F715 HydrophobicContact CB-CZ 4.02Å; R657-F715 PolarHBondContact NH1-O 3.13Å; V711-F715 VanDerWaalsContact O-CB 3.3Å; V711-F715 WeakPolarHBondContact O-CB 3.36Å; V711-F715 PolarHBondContact O-N 3Å; F715-G718 PolarHBondContact O-N 3.27Å; F715-L720 WeakPolarHBondContact CA-O 3.4Å; F715-L720 HydrophobicContact CB-CB 4.35Å; F715-L720 HydrophobicContact CD2-CB 4.28Å; F715-L720 WeakPolarHBondContact CD2-O 3.38Å; F715-L723 HydrophobicContact CB-CD1 4.45Å; F715-L723 HydrophobicContact CB-CD2 4.24Å; F715-L723 HydrophobicContact CD1-CD1 3.86Å; F715-L723 HydrophobicContact CD1-CG 4.34Å; F715-L723 HydrophobicContact CD2-CD1 4.04Å; F715-L723 HydrophobicContact CD2-CD2 3.93Å; F715-L723 HydrophobicContact CD2-CG 3.59Å; F715-L723 HydrophobicContact CE1-CD1 4.03Å; F715-L723 HydrophobicContact CE1-CG 4.47Å; F715-L723 HydrophobicContact CE2-CD1 4.2Å; F715-L723 HydrophobicContact CE2-CG 3.73Å; F715-L723 HydrophobicContact CG-CD1 3.86Å; F715-L723 HydrophobicContact CG-CD2 4.14Å; F715-L723 HydrophobicContact CG-CG 3.9Å; F715-L723 HydrophobicContact CZ-CD1 4.18Å; F715-L723 HydrophobicContact CZ-CG 4.17Å; F715-I735 HydrophobicContact CD1-CG2 4.12Å; F715-I735 HydrophobicContact CE1-CG2 3.75Å |
| 716 | K | 92.3 | Very high | 93.8 | Very high | 129 Ų | 129 | 49.5 Ų | 49.5 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 175.8 | -175.2 | 173.4 | -179.1 | 172.7 | 0 | 111.6 | R657 L712 K713 R714 G718 | R657-K716 PolarHBondContact NH1-O 2.79Å; L712-K716 WeakPolarHBondContact O-CB 3.34Å; L712-K716 PolarHBondContact O-N 3.42Å; K713-K716 WeakPolarHBondContact O-CB 3.44Å; K713-K716 PolarHBondContact O-N 3.4Å; R714-K716 PolarHBondContact O-N 2.83Å; K716-G718 PolarHBondContact O-N 3.05Å |
| 717 | S | 93.6 | Very high | 94.1 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.1 | -18.9 | 178.7 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | K713 R714 E719 | K713-S717 PolarHBondContact O-N 3.2Å; R714-S717 WeakPolarHBondContact CA-OG 3.35Å; R714-S717 PolarHBondContact O-N 3.47Å; R714-S717 PolarHBondContact O-OG 3.02Å; S717-E719 PolarHBondContact OG-N 2.92Å |
| 718 | G | 92 | Very high | 94.1 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -1.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R714 F715 K716 L720 | R714-G718 PolarHBondContact O-N 3.44Å; R714-G718 VanDerWaalsContact O-N 3.13Å; F715-G718 PolarHBondContact O-N 3.27Å; K716-G718 PolarHBondContact O-N 3.05Å; G718-L720 PolarHBondContact O-N 2.99Å |
| 719 | E | 95.1 | Very high | 94 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -59.3 | -36.2 | 171 | -166.7 | -160.7 | 141.6 | 0 | 0 | 111.6 | K687 R714 S717 | K687-E719 WeakPolarHBondContact CB-O 3.4Å; K687-E719 WeakPolarHBondContact CD-O 2.98Å; R714-E719 HydrophobicContact CB-CB 4.27Å; R714-E719 VanDerWaalsContact CG-OE2 3.24Å; R714-E719 WeakPolarHBondContact CG-OE2 3.44Å; R714-E719 IonicContact CZ-OE1 2.71Å; R714-E719 VanDerWaalsContact NE-CD 3.25Å; R714-E719 IonicContact NE-OE1 3.08Å; R714-E719 PolarHBondContact NE-OE1 3.17Å; R714-E719 IonicContact NE-OE2 3.74Å; R714-E719 PolarHBondContact NE-OE2 2.97Å; R714-E719 IonicContact NH2-OE1 3.91Å; R714-E719 PolarHBondContact NH2-OE1 2.83Å; R714-E719 PolarHBondContact O-N 2.7Å; R714-E719 VanDerWaalsContact O-N 3.13Å; S717-E719 PolarHBondContact OG-N 2.92Å |
| 720 | L | 96.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | trans | -111.4 | 142.4 | 169 | -57.5 | 172.4 | 0 | 0 | 0 | 109.1 | V711 R714 F715 G718 | V711-L720 HydrophobicContact CG1-CD1 4.12Å; R714-L720 HydrophobicContact CB-CD1 3.73Å; R714-L720 HydrophobicContact CB-CG 3.92Å; R714-L720 PolarHBondContact O-N 3.22Å; F715-L720 WeakPolarHBondContact CA-O 3.4Å; F715-L720 HydrophobicContact CB-CB 4.35Å; F715-L720 HydrophobicContact CD2-CB 4.28Å; F715-L720 WeakPolarHBondContact CD2-O 3.38Å; G718-L720 PolarHBondContact O-N 2.99Å | ||
| 721 | N | 96.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | trans | -128.8 | -3.9 | 179.7 | 65.9 | 11.2 | 0 | 0 | 0 | 114 | F650 A656 R657 G658 E685 K687 | F650-N721 HydrophobicContact CE1-CB 4.22Å; A656-N721 WeakPolarHBondContact O-CB 3.16Å; R657-N721 CarbonylContact C-O 3.53Å; R657-N721 VanDerWaalsContact CA-O 3.29Å; R657-N721 WeakPolarHBondContact CA-O 3.39Å; G658-N721 PolarHBondContact N-O 3.4Å; E685-N721 PolarHBondContact O-ND2 2.65Å; K687-N721 PolarHBondContact N-OD1 3.41Å; K687-N721 PolarHBondContact O-N 3.1Å; K687-N721 VanDerWaalsContact O-N 3.07Å; K687-N721 PolarHBondContact O-OD1 3.27Å | ||
| 722 | L | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 118.9 | 174.1 | -174.3 | 59 | 0 | 0 | 0 | 111.5 | I646 F650 G658 I660 I675 V686 K687 P688 S689 F740 | I646-L722 HydrophobicContact CG2-CD2 4.43Å; F650-L722 HydrophobicContact CE2-CB 4.48Å; F650-L722 HydrophobicContact CE2-CD1 4.4Å; F650-L722 HydrophobicContact CE2-CD2 4.29Å; F650-L722 HydrophobicContact CZ-CB 4.11Å; G658-L722 WeakPolarHBondContact O-CA 3.33Å; I660-L722 HydrophobicContact CD1-CD1 4Å; I660-L722 HydrophobicContact CD1-CD2 3.94Å; I660-L722 HydrophobicContact CD1-CG 4.27Å; I660-L722 HydrophobicContact CG1-CD1 3.96Å; I675-L722 HydrophobicContact CD1-CD2 3.57Å; V686-L722 HydrophobicContact CG1-CB 4.29Å; V686-L722 HydrophobicContact CG1-CD2 3.8Å; K687-L722 PolarHBondContact O-N 3.35Å; P688-L722 CarbonylContact C-O 3.53Å; P688-L722 VanDerWaalsContact CA-O 3.27Å; P688-L722 WeakPolarHBondContact CA-O 3.43Å; P688-L722 HydrophobicContact CB-CB 4.32Å; P688-L722 HydrophobicContact CB-CD2 4.38Å; S689-L722 PolarHBondContact N-O 2.99Å; L722-F740 HydrophobicContact CD1-CE2 3.94Å; L722-F740 HydrophobicContact CD1-CZ 3.89Å |
| 723 | L | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.4 | 171.7 | -65.3 | 178.6 | 0 | 0 | 0 | 110.7 | G658 I659 I660 S689 V711 L712 F715 I735 | G658-L723 PolarHBondContact O-N 2.96Å; I659-L723 CarbonylContact C-O 3.5Å; I659-L723 VanDerWaalsContact CA-O 3.31Å; I659-L723 WeakPolarHBondContact CA-O 3.36Å; I659-L723 HydrophobicContact CG1-CB 4.34Å; I659-L723 HydrophobicContact CG2-CB 4.4Å; I660-L723 PolarHBondContact N-O 3.46Å; S689-L723 WeakPolarHBondContact O-CA 3.43Å; V711-L723 HydrophobicContact CG1-CD2 3.64Å; L712-L723 HydrophobicContact CD2-CD1 4.33Å; F715-L723 HydrophobicContact CB-CD1 4.45Å; F715-L723 HydrophobicContact CB-CD2 4.24Å; F715-L723 HydrophobicContact CD1-CD1 3.86Å; F715-L723 HydrophobicContact CD1-CG 4.34Å; F715-L723 HydrophobicContact CD2-CD1 4.04Å; F715-L723 HydrophobicContact CD2-CD2 3.93Å; F715-L723 HydrophobicContact CD2-CG 3.59Å; F715-L723 HydrophobicContact CE1-CD1 4.03Å; F715-L723 HydrophobicContact CE1-CG 4.47Å; F715-L723 HydrophobicContact CE2-CD1 4.2Å; F715-L723 HydrophobicContact CE2-CG 3.73Å; F715-L723 HydrophobicContact CG-CD1 3.86Å; F715-L723 HydrophobicContact CG-CD2 4.14Å; F715-L723 HydrophobicContact CG-CG 3.9Å; F715-L723 HydrophobicContact CZ-CD1 4.18Å; F715-L723 HydrophobicContact CZ-CG 4.17Å; L723-I735 HydrophobicContact CD1-CG2 4.15Å |
| 724 | I | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 99.6 | 172.8 | -53.3 | 169.6 | 0 | 0 | 0 | 107.7 | I660 T662 A668 L671 S672 I675 P688 S689 Y690 F691 | I660-I724 HydrophobicContact CB-CG1 4.41Å; I660-I724 HydrophobicContact CB-CG2 4.48Å; I660-I724 HydrophobicContact CD1-CG1 4.39Å; I660-I724 CarbonylContact O-C 3.39Å; I660-I724 WeakPolarHBondContact O-CA 3.07Å; T662-I724 HydrophobicContact CG2-CG2 4.29Å; A668-I724 HydrophobicContact CB-CG2 4.1Å; L671-I724 HydrophobicContact CB-CD1 4.07Å; L671-I724 HydrophobicContact CB-CG2 4.09Å; L671-I724 HydrophobicContact CD1-CG2 4.35Å; S672-I724 VanDerWaalsContact N-CD1 3.29Å; I675-I724 HydrophobicContact CD1-CD1 3.93Å; P688-I724 HydrophobicContact CB-CD1 4.31Å; S689-I724 PolarHBondContact O-N 3.25Å; Y690-I724 CarbonylContact C-O 3.54Å; Y690-I724 VanDerWaalsContact CA-O 3.26Å; Y690-I724 WeakPolarHBondContact CA-O 3.23Å; F691-I724 PolarHBondContact N-O 3.14Å |
| 725 | A | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 153.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I659 I660 F661 T662 F691 A729 | I659-A725 HydrophobicContact CG2-CB 4.35Å; I660-A725 PolarHBondContact O-N 2.83Å; F661-A725 CarbonylContact C-O 3.35Å; F661-A725 VanDerWaalsContact CA-O 3.28Å; F661-A725 WeakPolarHBondContact CA-O 3.4Å; F661-A725 HydrophobicContact CD1-CB 4.33Å; F661-A725 HydrophobicContact CE1-CB 4.29Å; T662-A725 PolarHBondContact N-O 2.92Å; F691-A725 HydrophobicContact CB-CB 4.13Å; F691-A725 HydrophobicContact CD1-CB 4.28Å; F691-A725 VanDerWaalsContact O-CA 3.22Å; F691-A725 WeakPolarHBondContact O-CA 3.29Å; A725-A729 HydrophobicContact CB-CB 3.52Å |
| 726 | T | 94.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | trans | -86.7 | -168 | 158.6 | 62 | 0 | 0 | 0 | 0 | 110 | T662 F691 I692 V728 A729 | T662-T726 WeakPolarHBondContact O-CA 3.34Å; F691-T726 PolarHBondContact O-N 2.89Å; I692-T726 HydrophobicContact CG2-CG2 4.18Å; T726-V728 PolarHBondContact O-N 3.4Å; T726-A729 PolarHBondContact O-N 3.2Å | ||
| 727 | T | 91.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 26.2 Ų | 26.2 | 41% | 0.411 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -57.3 | -11.8 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | A729 E730 H746 T748 | T727-A729 PolarHBondContact O-N 3.34Å; T727-E730 WeakPolarHBondContact CG2-OE2 3.25Å; T727-E730 WeakPolarHBondContact O-CB 3.29Å; T727-E730 PolarHBondContact O-N 3.04Å; T727-E730 VanDerWaalsContact O-N 3.11Å; T727-H746 WeakPolarHBondContact CG2-NE2 3.46Å; T727-T748 HydrophobicContact CG2-CG2 4.19Å |
| 728 | V | 89.9 | Confident | 91.4 | Very high | 22 Ų | 22 | 22.2 Ų | 22.2 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -55.9 | -34.9 | 177 | 65.1 | 0 | 0 | 0 | 0 | 113 | K332 F691 T726 L733 | K332-V728 PolarHBondContact NZ-O 2.78Å; F691-V728 HydrophobicContact CD1-CG1 3.52Å; F691-V728 HydrophobicContact CE1-CB 4.41Å; F691-V728 HydrophobicContact CE1-CG1 3.67Å; F691-V728 HydrophobicContact CE1-CG2 4Å; F691-V728 VanDerWaalsContact O-CG1 3.27Å; F691-V728 WeakPolarHBondContact O-CG1 3.38Å; T726-V728 PolarHBondContact O-N 3.4Å; V728-L733 HydrophobicContact CG2-CD1 4.46Å |
| 729 | A | 89.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -89.2 | -4.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F661 F691 A725 T726 T727 I735 R759 | F661-A729 HydrophobicContact CE1-CB 3.78Å; F661-A729 HydrophobicContact CZ-CB 4.2Å; F691-A729 HydrophobicContact CD1-CB 3.89Å; F691-A729 HydrophobicContact CE1-CB 4.13Å; A725-A729 HydrophobicContact CB-CB 3.52Å; T726-A729 PolarHBondContact O-N 3.2Å; T727-A729 PolarHBondContact O-N 3.34Å; A729-I735 HydrophobicContact CB-CD1 3.65Å; A729-I735 WeakPolarHBondContact O-CD1 3.27Å; A729-R759 PolarHBondContact O-NE 3.2Å |
| 730 | E | 86.4 | Confident | 91.5 | Very high | 12 Ų | 12 | 17.5 Ų | 17.5 | 6% | 0.056 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -49.4 | -179.6 | -66.8 | 179.7 | 160.4 | 0 | 0 | 110 | F661 T727 R743 A752 R759 | F661-E730 HydrophobicContact CD1-CG 3.84Å; F661-E730 HydrophobicContact CE1-CB 4.37Å; F661-E730 HydrophobicContact CE1-CG 3.43Å; F661-E730 VanDerWaalsContact CE1-CG 3.43Å; F661-E730 HydrophobicContact CZ-CG 3.95Å; T727-E730 WeakPolarHBondContact CG2-OE2 3.25Å; T727-E730 WeakPolarHBondContact O-CB 3.29Å; T727-E730 PolarHBondContact O-N 3.04Å; T727-E730 VanDerWaalsContact O-N 3.11Å; E730-R743 IonicContact OE1-CZ 2.99Å; E730-R743 IonicContact OE1-NH2 3.35Å; E730-R743 PolarHBondContact OE1-NH2 3.03Å; E730-A752 WeakPolarHBondContact OE2-CB 3.33Å; E730-R759 PolarHBondContact O-NE 3.37Å; E730-R759 PolarHBondContact O-NH2 2.95Å |
| 731 | E | 85.4 | Confident | 91.5 | Very high | 27 Ų | 27 | 17.1 Ų | 17.1 | 13% | 0.126 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -115.9 | 144.7 | -167.3 | -170.8 | -178.7 | 149.2 | 0 | 0 | 114.1 | N331 K332 E410 H412 H413 L733 Q755 | N331-E731 PolarHBondContact ND2-OE1 2.98Å; K332-E731 PolarHBondContact NZ-O 3.04Å; E410-E731 WeakPolarHBondContact CB-OE1 3.41Å; E410-E731 HydrophobicContact CG-CG 4.07Å; E410-E731 WeakPolarHBondContact CG-OE1 3.49Å; H412-E731 IonicContact CE1-OE1 2.81Å; H412-E731 IonicContact NE2-OE1 3.53Å; H412-E731 IonicContact NE2-OE2 3.59Å; H413-E731 IonicContact CD2-OE1 3.91Å; H413-E731 PolarHBondContact CD2-OE1 3.02Å; H413-E731 IonicContact CE1-OE1 3.17Å; H413-E731 IonicContact CE1-OE2 3.4Å; H413-E731 VanDerWaalsContact NE2-CD 3.31Å; H413-E731 IonicContact NE2-OE1 2.7Å; H413-E731 PolarHBondContact NE2-OE1 3Å; H413-E731 IonicContact NE2-OE2 2.88Å; H413-E731 PolarHBondContact NE2-OE2 3.32Å; H413-E731 VanDerWaalsContact NE2-OE2 3.17Å; E731-L733 VanDerWaalsContact C-N 3.26Å; E731-L733 PolarHBondContact O-N 3.33Å; E731-Q755 VanDerWaalsContact CB-OE1 3.32Å |
| 732 | G | 79.2 | Confident | 91.5 | Very high | 14 Ų | 14 | 16 Ų | 16 | 14% | 0.144 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 80 | -52.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L335 D734 | L335-G732 WeakPolarHBondContact CD2-O 3.4Å; G732-D734 PolarHBondContact O-N 2.9Å |
| 733 | L | 84.3 | Confident | 91.4 | Very high | 7 Ų | 7 | 16 Ų | 16 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -63.1 | 137.8 | -172.8 | -63.3 | 173 | 0 | 0 | 0 | 111.4 | P334 F691 L712 V728 E731 I735 R759 | P334-L733 HydrophobicContact CB-CD2 3.77Å; P334-L733 HydrophobicContact CG-CD2 4.2Å; F691-L733 HydrophobicContact CE1-CD1 3.71Å; F691-L733 HydrophobicContact CZ-CD1 3.67Å; L712-L733 HydrophobicContact CD1-CD1 4.43Å; V728-L733 HydrophobicContact CG2-CD1 4.46Å; E731-L733 VanDerWaalsContact C-N 3.26Å; E731-L733 PolarHBondContact O-N 3.33Å; L733-I735 HydrophobicContact CB-CG1 4.36Å; L733-I735 PolarHBondContact O-N 3.3Å; L733-R759 PolarHBondContact O-NH1 3.28Å; L733-R759 PolarHBondContact O-NH2 3.43Å |
| 734 | D | 84.1 | Confident | 91.3 | Very high | 75 Ų | 75 | 16.3 Ų | 16.3 | 40% | 0.401 | 10% | 0.099 | S | C | . | . | trans | -72.7 | 109.2 | 169.3 | -176.8 | 29.2 | 0 | 0 | 0 | 110.1 | Q338 G732 | Q338-D734 VanDerWaalsContact CD-CB 3.49Å; Q338-D734 HydrophobicContact CG-CB 4.34Å; G732-D734 PolarHBondContact O-N 2.9Å | ||
| 735 | I | 89.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | trans | -117.1 | 132.2 | 175.4 | -56.1 | 175.1 | 0 | 0 | 0 | 106.5 | I659 L712 F715 L723 A729 L733 R761 | I659-I735 HydrophobicContact CD1-CD1 4.33Å; I659-I735 HydrophobicContact CD1-CG2 3.89Å; L712-I735 HydrophobicContact CD2-CG1 4.03Å; F715-I735 HydrophobicContact CD1-CG2 4.12Å; F715-I735 HydrophobicContact CE1-CG2 3.75Å; L723-I735 HydrophobicContact CD1-CG2 4.15Å; A729-I735 HydrophobicContact CB-CD1 3.65Å; A729-I735 WeakPolarHBondContact O-CD1 3.27Å; L733-I735 HydrophobicContact CB-CG1 4.36Å; L733-I735 PolarHBondContact O-N 3.3Å; I735-R761 PolarHBondContact O-NH2 3.39Å | ||
| 736 | T | 89.8 | Confident | 90.2 | Very high | 39 Ų | 39 | 18.5 Ų | 18.5 | 24% | 0.239 | 12% | 0.116 | C | C | . | . | trans | -54.7 | 149.4 | 179.4 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | C738 | T736-C738 PolarHBondContact O-N 2.96Å; T736-C738 PolarHBondContact O-SG 2.91Å | ||
| 737 | A | 91.5 | Very high | 89.9 | Confident | 37 Ų | 37 | 18.8 Ų | 18.8 | 31% | 0.306 | 12% | 0.118 | S | C | . | . | trans | -55.8 | 129.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R761 | A737-R761 HydrophobicContact CB-CG 3.86Š| ||
| 738 | C | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -104.4 | 149.1 | 179.8 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | R657 I659 T736 R759 G760 R761 A762 | R657-C738 CarbonylContact O-C 3.5Å; R657-C738 WeakPolarHBondContact O-CA 3.36Å; I659-C738 VanDerWaalsContact CG1-SG 3.58Å; T736-C738 PolarHBondContact O-N 2.96Å; T736-C738 PolarHBondContact O-SG 2.91Å; C738-R759 PolarHBondContact N-O 2.81Å; C738-G760 CarbonylContact O-C 3.53Å; C738-G760 VanDerWaalsContact O-CA 3.27Å; C738-G760 WeakPolarHBondContact O-CA 3.4Å; C738-R761 PolarHBondContact O-N 3.46Å; C738-R761 VanDerWaalsContact O-N 3.15Å; C738-A762 WeakPolarHBondContact O-CB 3.49Å; C738-A762 PolarHBondContact O-N 3.42Å; C738-A762 VanDerWaalsContact O-N 3.11Å | ||
| 739 | N | 94.7 | Very high | 90 | Very high | 23 Ų | 23 | 20.4 Ų | 20.4 | 12% | 0.123 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -82 | -23.9 | 172.5 | -52.9 | 89.3 | 0 | 0 | 0 | 112 | R653 E655 A656 R657 S765 T766 | R653-N739 PolarHBondContact NH2-O 2.83Å; E655-N739 PolarHBondContact O-OD1 3.02Å; A656-N739 WeakPolarHBondContact CA-OD1 3.17Å; R657-N739 PolarHBondContact N-OD1 3.04Å; R657-N739 PolarHBondContact O-N 2.93Å; R657-N739 PolarHBondContact O-OD1 3.19Å; N739-S765 CarbonylContact O-C 3.55Å; N739-S765 WeakPolarHBondContact O-CA 3.37Å; N739-T766 PolarHBondContact O-N 3.35Å |
| 740 | F | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 150.3 | 175.4 | 64.5 | -88.5 | 0 | 0 | 0 | 112.2 | E649 F650 A656 R657 G658 I659 L722 I742 T766 | E649-F740 HydrophobicContact CB-CB 4.48Å; E649-F740 HydrophobicContact CB-CD1 3.52Å; E649-F740 HydrophobicContact CB-CD2 4.4Å; E649-F740 HydrophobicContact CB-CE1 3.73Å; E649-F740 HydrophobicContact CB-CG 3.88Å; E649-F740 HydrophobicContact CB-CZ 4.26Å; E649-F740 HydrophobicContact CG-CB 4.09Å; E649-F740 HydrophobicContact CG-CD1 4.05Å; E649-F740 HydrophobicContact CG-CD2 4.28Å; E649-F740 HydrophobicContact CG-CG 3.88Å; F650-F740 HydrophobicContact CD2-CE1 4.09Å; F650-F740 AromaticContact CD2-CZ 3.95Å; F650-F740 HydrophobicContact CD2-CZ 3.95Å; F650-F740 AromaticContact CE2-CE1 3.8Å; F650-F740 HydrophobicContact CE2-CE1 3.8Å; F650-F740 AromaticContact CE2-CZ 3.38Å; F650-F740 HydrophobicContact CE2-CZ 3.38Å; F650-F740 HydrophobicContact CZ-CE1 4.14Å; F650-F740 AromaticContact CZ-CZ 3.96Å; F650-F740 HydrophobicContact CZ-CZ 3.96Å; A656-F740 HydrophobicContact CB-CE1 4.49Å; R657-F740 PolarHBondContact O-N 3Å; G658-F740 VanDerWaalsContact CA-O 3.27Å; G658-F740 WeakPolarHBondContact CA-O 3.21Å; I659-F740 PolarHBondContact N-O 2.95Å; I659-F740 VanDerWaalsContact N-O 3.16Å; L722-F740 HydrophobicContact CD1-CE2 3.94Å; L722-F740 HydrophobicContact CD1-CZ 3.89Å; F740-I742 HydrophobicContact CD2-CD1 3.89Å; F740-I742 HydrophobicContact CD2-CG1 3.97Å; F740-I742 HydrophobicContact CE2-CD1 3.93Å; F740-I742 HydrophobicContact CE2-CG1 4.43Å; F740-T766 CarbonylContact C-O 3.57Å; F740-T766 VanDerWaalsContact CA-O 3.29Å; F740-T766 WeakPolarHBondContact CA-O 3.21Å; F740-T766 WeakPolarHBondContact CB-OG1 3Å |
| 741 | V | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.9 | 173 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | I659 F661 R759 T766 Y767 T768 | I659-V741 CarbonylContact O-C 3.5Å; I659-V741 WeakPolarHBondContact O-CA 3.29Å; F661-V741 HydrophobicContact CD2-CG1 3.76Å; F661-V741 HydrophobicContact CE2-CG1 3.7Å; V741-R759 HydrophobicContact CG2-CB 4.08Å; V741-T766 PolarHBondContact N-O 3.42Å; V741-Y767 HydrophobicContact CB-CD2 4.02Å; V741-Y767 HydrophobicContact CG1-CD2 4.01Å; V741-Y767 HydrophobicContact CG1-CE2 4.17Å; V741-Y767 CarbonylContact O-C 3.53Å; V741-Y767 WeakPolarHBondContact O-CA 3.34Å; V741-T768 PolarHBondContact O-N 2.92Å |
| 742 | I | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.5 | 178.2 | -60.1 | 169.3 | 0 | 0 | 0 | 108.4 | L642 K645 I646 I659 I660 F661 F740 T768 V770 | L642-I742 HydrophobicContact CD1-CD1 4.11Å; L642-I742 HydrophobicContact CD1-CG2 3.92Å; K645-I742 HydrophobicContact CG-CD1 3.95Å; K645-I742 HydrophobicContact CG-CG1 4.5Å; I646-I742 HydrophobicContact CG1-CD1 4.18Å; I659-I742 PolarHBondContact O-N 3.38Å; I660-I742 CarbonylContact C-O 3.57Å; I660-I742 VanDerWaalsContact CA-O 3.31Å; I660-I742 WeakPolarHBondContact CA-O 3.4Å; I660-I742 HydrophobicContact CG1-CB 4.23Å; I660-I742 HydrophobicContact CG1-CD1 4.32Å; F661-I742 PolarHBondContact N-O 2.9Å; F740-I742 HydrophobicContact CD2-CD1 3.89Å; F740-I742 HydrophobicContact CD2-CG1 3.97Å; F740-I742 HydrophobicContact CE2-CD1 3.93Å; F740-I742 HydrophobicContact CE2-CG1 4.43Å; I742-T768 CarbonylContact C-O 3.57Å; I742-T768 VanDerWaalsContact CA-O 3.31Å; I742-T768 WeakPolarHBondContact CA-O 3.39Å; I742-V770 HydrophobicContact CG2-CG2 3.85Å |
| 743 | R | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 105.3 | 168.3 | -63 | -164.2 | 89.3 | -176.8 | 15.2 | 109.2 | F661 E730 G745 H746 T748 Y767 T768 V769 V770 E781 | F661-R743 HydrophobicContact CB-CG 4.32Å; F661-R743 HydrophobicContact CD2-CG 4.42Å; E730-R743 IonicContact OE1-CZ 2.99Å; E730-R743 IonicContact OE1-NH2 3.35Å; E730-R743 PolarHBondContact OE1-NH2 3.03Å; R743-G745 PolarHBondContact O-N 3.11Å; R743-H746 WeakPolarHBondContact CB-O 3.35Å; R743-H746 PolarHBondContact NE-O 3.38Å; R743-T748 PolarHBondContact NH2-OG1 3.32Å; R743-Y767 WeakPolarHBondContact CD-OH 3.21Å; R743-Y767 HydrophobicContact CG-CE2 4.24Å; R743-T768 PolarHBondContact N-O 3.43Å; R743-V769 HydrophobicContact CB-CG2 4.4Å; R743-V770 PolarHBondContact O-N 3.25Å; R743-E781 IonicContact NH1-OE2 2.76Å |
| 744 | Y | 94.7 | Very high | 91.9 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 96.7 | -173 | -172 | -112.7 | 0 | 0 | 0 | 111.1 | T575 S638 L639 L642 F661 L671 H746 V770 | T575-Y744 WeakPolarHBondContact O-CE1 3.47Å; T575-Y744 VanDerWaalsContact O-CZ 3.28Å; T575-Y744 PolarHBondContact O-OH 3.18Å; S638-Y744 WeakPolarHBondContact CB-OH 3.38Å; L639-Y744 PolarHBondContact N-OH 3.44Å; L642-Y744 HydrophobicContact CB-CD2 4.29Å; L642-Y744 HydrophobicContact CB-CE2 3.87Å; L642-Y744 HydrophobicContact CD1-CD2 4.13Å; L642-Y744 HydrophobicContact CD2-CD2 3.87Å; L642-Y744 HydrophobicContact CD2-CE1 4.42Å; L642-Y744 HydrophobicContact CD2-CE2 3.76Å; L642-Y744 HydrophobicContact CD2-CG 4.25Å; L642-Y744 HydrophobicContact CG-CD2 4.32Å; L642-Y744 HydrophobicContact CG-CE2 4.26Å; F661-Y744 WeakPolarHBondContact O-CB 3.19Å; F661-Y744 PolarHBondContact O-N 3.37Å; L671-Y744 HydrophobicContact CD1-CD1 3.86Å; L671-Y744 HydrophobicContact CD1-CE1 4.06Å; L671-Y744 HydrophobicContact CD2-CE1 4.36Å; Y744-H746 PolarHBondContact O-N 2.8Å; Y744-H746 VanDerWaalsContact O-N 3.1Å; Y744-V770 HydrophobicContact CD2-CB 3.82Å; Y744-V770 HydrophobicContact CD2-CG1 3.87Å; Y744-V770 HydrophobicContact CD2-CG2 3.91Å; Y744-V770 HydrophobicContact CE2-CB 4.37Å; Y744-V770 HydrophobicContact CE2-CG1 3.91Å |
| 745 | G | 86.6 | Confident | 92.2 | Very high | 25 Ų | 25 | 16.4 Ų | 16.4 | 26% | 0.258 | 10% | 0.102 | S | C | . | . | S | Bend | trans | 60.8 | 20 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | R743 V770 | R743-G745 PolarHBondContact O-N 3.11Å; G745-V770 PolarHBondContact N-O 3.25Å |
| 746 | H | 85.7 | Confident | 92.3 | Very high | 21 Ų | 21 | 16.4 Ų | 16.4 | 10% | 0.097 | 10% | 0.102 | C | C | . | . | trans | -137.2 | 116 | -171.3 | -173.8 | 62.7 | 0 | 0 | 0 | 112.4 | K663 T727 R743 Y744 T748 | K663-H746 HydrophobicContact CB-CB 4.39Å; T727-H746 WeakPolarHBondContact CG2-NE2 3.46Å; R743-H746 WeakPolarHBondContact CB-O 3.35Å; R743-H746 PolarHBondContact NE-O 3.38Å; Y744-H746 PolarHBondContact O-N 2.8Å; Y744-H746 VanDerWaalsContact O-N 3.1Å; H746-T748 WeakPolarHBondContact NE2-CG2 3.15Å | ||
| 747 | V | 88.2 | Confident | 92.4 | Very high | 19 Ų | 19 | 16.5 Ų | 16.5 | 12% | 0.115 | 10% | 0.1 | C | C | . | . | trans | -136.7 | 133.1 | 172.7 | 171 | 0 | 0 | 0 | 0 | 108.7 | V769 V777 K780 E781 N784 | V747-V769 HydrophobicContact CG2-CG1 4.2Å; V747-V777 HydrophobicContact CB-CG1 4.48Å; V747-V777 HydrophobicContact CG2-CG1 3.71Å; V747-K780 HydrophobicContact CB-CB 4.43Å; V747-K780 HydrophobicContact CG1-CB 4Å; V747-E781 HydrophobicContact CG1-CB 4.5Å; V747-E781 VanDerWaalsContact CG1-OE2 3.25Å; V747-E781 WeakPolarHBondContact CG1-OE2 3.46Å; V747-E781 HydrophobicContact CG2-CB 4.24Å; V747-E781 VanDerWaalsContact CG2-OE2 3.25Å; V747-E781 WeakPolarHBondContact CG2-OE2 3.42Å; V747-N784 WeakPolarHBondContact CG1-ND2 3.4Å | ||
| 748 | T | 89.9 | Confident | 92.3 | Very high | 55 Ų | 55 | 15.3 Ų | 15.3 | 34% | 0.337 | 9% | 0.091 | S | C | . | . | trans | -107.9 | -100.1 | -177.9 | 46.9 | 0 | 0 | 0 | 0 | 110.7 | T727 R743 H746 A752 | T727-T748 HydrophobicContact CG2-CG2 4.19Å; R743-T748 PolarHBondContact NH2-OG1 3.32Å; H746-T748 WeakPolarHBondContact NE2-CG2 3.15Å; T748-A752 WeakPolarHBondContact OG1-CB 3.5Å | ||
| 749 | N | 92 | Very high | 92.1 | Very high | 67 Ų | 67 | 15.9 Ų | 15.9 | 36% | 0.358 | 9% | 0.094 | S | C | . | . | trans | -126.6 | 176.4 | -178.1 | 65 | 32.8 | 0 | 0 | 0 | 111.1 | I751 A752 M753 | N749-I751 VanDerWaalsContact C-N 3.31Å; N749-I751 PolarHBondContact O-N 3.38Å; N749-I751 PolarHBondContact OD1-N 2.8Å; N749-I751 VanDerWaalsContact OD1-N 3.11Å; N749-A752 PolarHBondContact O-N 3.36Å; N749-A752 WeakPolarHBondContact OD1-CB 3.3Å; N749-A752 PolarHBondContact OD1-N 3.07Å; N749-M753 WeakPolarHBondContact O-CB 2.92Å; N749-M753 PolarHBondContact O-N 3Å | ||
| 750 | E | 93.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.7 | -31.8 | -179 | 73 | -74.1 | -178.9 | 0 | 0 | 113.2 | G458 V459 I754 N784 R787 | G458-E750 WeakPolarHBondContact CA-OE1 3.29Å; V459-E750 HydrophobicContact CG2-CG 4.44Å; V459-E750 PolarHBondContact N-OE1 3.12Å; E750-I754 WeakPolarHBondContact O-CD1 3.4Å; E750-I754 WeakPolarHBondContact O-CG1 3.06Å; E750-I754 PolarHBondContact O-N 2.91Å; E750-N784 HydrophobicContact CB-CB 4.3Å; E750-N784 PolarHBondContact N-OD1 2.76Å; E750-R787 HydrophobicContact CB-CB 3.98Å; E750-R787 HydrophobicContact CG-CB 4.18Å |
| 751 | I | 93.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.1 | -51 | 179.3 | -58.4 | 178.3 | 0 | 0 | 0 | 109.7 | H412 N749 M753 I754 Q755 | H412-I751 HydrophobicContact CB-CD1 4.38Å; N749-I751 VanDerWaalsContact C-N 3.31Å; N749-I751 PolarHBondContact O-N 3.38Å; N749-I751 PolarHBondContact OD1-N 2.8Å; N749-I751 VanDerWaalsContact OD1-N 3.11Å; I751-M753 VanDerWaalsContact C-N 3.31Å; I751-M753 PolarHBondContact O-N 3.1Å; I751-I754 PolarHBondContact O-N 2.72Å; I751-Q755 HydrophobicContact CG2-CG 4.44Å; I751-Q755 WeakPolarHBondContact O-CB 3.24Å; I751-Q755 WeakPolarHBondContact O-CG 3.35Å; I751-Q755 PolarHBondContact O-N 2.79Å |
| 752 | A | 92.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 5% | 0.05 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E730 T748 N749 S756 | E730-A752 WeakPolarHBondContact OE2-CB 3.33Å; T748-A752 WeakPolarHBondContact OG1-CB 3.5Å; N749-A752 PolarHBondContact O-N 3.36Å; N749-A752 WeakPolarHBondContact OD1-CB 3.3Å; N749-A752 PolarHBondContact OD1-N 3.07Å; A752-S756 WeakPolarHBondContact O-CB 3.29Å; A752-S756 PolarHBondContact O-N 2.94Å; A752-S756 PolarHBondContact O-OG 2.93Å |
| 753 | M | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 171.1 | -176.9 | -170.1 | 75.1 | 0 | 0 | 110.7 | N749 I751 Q755 S756 Q757 E781 N784 E785 E788 | N749-M753 WeakPolarHBondContact O-CB 2.92Å; N749-M753 PolarHBondContact O-N 3Å; I751-M753 VanDerWaalsContact C-N 3.31Å; I751-M753 PolarHBondContact O-N 3.1Å; M753-Q755 VanDerWaalsContact C-N 3.34Å; M753-Q755 PolarHBondContact O-N 3.25Å; M753-S756 PolarHBondContact O-N 2.63Å; M753-S756 PolarHBondContact O-OG 3.4Å; M753-Q757 WeakPolarHBondContact O-CB 3.44Å; M753-Q757 PolarHBondContact O-N 2.93Å; M753-E781 WeakPolarHBondContact CG-OE1 3.45Å; M753-N784 HydrophobicContact CE-CB 4.26Å; M753-N784 HydrophobicContact SD-CB 3.61Å; M753-E785 HydrophobicContact CE-CG 4.41Å; M753-E785 HydrophobicContact SD-CG 4.09Å; M753-E788 HydrophobicContact CE-CB 4.15Å; M753-E788 WeakPolarHBondContact CE-OE2 3.43Å |
| 754 | I | 91.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | -179.7 | -67 | 162.1 | 0 | 0 | 0 | 111.5 | E750 I751 G758 E788 M791 | E750-I754 WeakPolarHBondContact O-CD1 3.4Å; E750-I754 WeakPolarHBondContact O-CG1 3.06Å; E750-I754 PolarHBondContact O-N 2.91Å; I751-I754 PolarHBondContact O-N 2.72Å; I754-G758 PolarHBondContact O-N 3.32Å; I754-E788 HydrophobicContact CD1-CB 4.24Å; I754-E788 HydrophobicContact CD1-CG 3.84Å; I754-E788 HydrophobicContact CG1-CG 4.26Å; I754-M791 HydrophobicContact CD1-CE 3.92Å |
| 755 | Q | 91.8 | Very high | 90 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.1 | -44.1 | -179 | -73.8 | 174.8 | -13.1 | 0 | 0 | 112.6 | E410 A455 E731 I751 M753 G758 R759 | E410-Q755 PolarHBondContact OE2-NE2 3.13Å; A455-Q755 HydrophobicContact CB-CG 4.26Å; E731-Q755 VanDerWaalsContact CB-OE1 3.32Å; I751-Q755 HydrophobicContact CG2-CG 4.44Å; I751-Q755 WeakPolarHBondContact O-CB 3.24Å; I751-Q755 WeakPolarHBondContact O-CG 3.35Å; I751-Q755 PolarHBondContact O-N 2.79Å; M753-Q755 VanDerWaalsContact C-N 3.34Å; M753-Q755 PolarHBondContact O-N 3.25Å; Q755-G758 CarbonylContact O-C 3.59Å; Q755-G758 WeakPolarHBondContact O-CA 3.44Å; Q755-G758 PolarHBondContact O-N 2.8Å; Q755-G758 VanDerWaalsContact O-N 3.16Å; Q755-R759 PolarHBondContact O-N 3.49Å |
| 756 | S | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.9 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | A752 M753 G758 R759 | A752-S756 WeakPolarHBondContact O-CB 3.29Å; A752-S756 PolarHBondContact O-N 2.94Å; A752-S756 PolarHBondContact O-OG 2.93Å; M753-S756 PolarHBondContact O-N 2.63Å; M753-S756 PolarHBondContact O-OG 3.4Å; S756-G758 VanDerWaalsContact C-N 3.28Å; S756-G758 PolarHBondContact O-N 2.9Å; S756-R759 VanDerWaalsContact O-CB 3.27Å; S756-R759 WeakPolarHBondContact O-CB 3.38Å; S756-R759 PolarHBondContact O-N 2.56Å |
| 757 | Q | 91 | Very high | 90.8 | Very high | 41 Ų | 41 | 30.2 Ų | 30.2 | 19% | 0.192 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 171.4 | -171.2 | 179.1 | 4.7 | 0 | 0 | 111.9 | Q494 M753 R759 G760 Y767 | Q494-Q757 PolarHBondContact NE2-O 2.82Å; Q494-Q757 PolarHBondContact OE1-O 3.1Å; M753-Q757 WeakPolarHBondContact O-CB 3.44Å; M753-Q757 PolarHBondContact O-N 2.93Å; Q757-R759 PolarHBondContact O-N 3.35Å; Q757-R759 VanDerWaalsContact O-N 3.13Å; Q757-G760 PolarHBondContact O-N 2.96Å; Q757-G760 VanDerWaalsContact O-N 3.1Å; Q757-Y767 HydrophobicContact CB-CD2 3.94Å; Q757-Y767 HydrophobicContact CB-CE2 3.98Å; Q757-Y767 HydrophobicContact CG-CD2 4.11Å; Q757-Y767 HydrophobicContact CG-CG 4.38Å |
| 758 | G | 89.2 | Confident | 91.1 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I754 Q755 S756 R761 | I754-G758 PolarHBondContact O-N 3.32Å; Q755-G758 CarbonylContact O-C 3.59Å; Q755-G758 WeakPolarHBondContact O-CA 3.44Å; Q755-G758 PolarHBondContact O-N 2.8Å; Q755-G758 VanDerWaalsContact O-N 3.16Å; S756-G758 VanDerWaalsContact C-N 3.28Å; S756-G758 PolarHBondContact O-N 2.9Å; G758-R761 WeakPolarHBondContact O-CD 3.22Å; G758-R761 PolarHBondContact O-NH1 3.3Å |
| 759 | R | 91.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -35.1 | 170.1 | -54.7 | -57.9 | 178.4 | 176.3 | -0.2 | 111.9 | I659 A729 E730 L733 C738 V741 Q755 S756 Q757 R761 | I659-R759 HydrophobicContact CD1-CB 3.87Å; I659-R759 HydrophobicContact CD1-CG 4.19Å; A729-R759 PolarHBondContact O-NE 3.2Å; E730-R759 PolarHBondContact O-NE 3.37Å; E730-R759 PolarHBondContact O-NH2 2.95Å; L733-R759 PolarHBondContact O-NH1 3.28Å; L733-R759 PolarHBondContact O-NH2 3.43Å; C738-R759 PolarHBondContact N-O 2.81Å; V741-R759 HydrophobicContact CG2-CB 4.08Å; Q755-R759 PolarHBondContact O-N 3.49Å; S756-R759 VanDerWaalsContact O-CB 3.27Å; S756-R759 WeakPolarHBondContact O-CB 3.38Å; S756-R759 PolarHBondContact O-N 2.56Å; Q757-R759 PolarHBondContact O-N 3.35Å; Q757-R759 VanDerWaalsContact O-N 3.13Å; R759-R761 VanDerWaalsContact C-N 3.3Å; R759-R761 PolarHBondContact O-N 3.13Å |
| 760 | G | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -78.5 | 73.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q494 C738 Q757 S765 | Q494-G760 PolarHBondContact NE2-O 3.43Å; C738-G760 CarbonylContact O-C 3.53Å; C738-G760 VanDerWaalsContact O-CA 3.27Å; C738-G760 WeakPolarHBondContact O-CA 3.4Å; Q757-G760 PolarHBondContact O-N 2.96Å; Q757-G760 VanDerWaalsContact O-N 3.1Å; G760-S765 WeakPolarHBondContact O-CB 3.46Å; G760-S765 PolarHBondContact O-OG 3.41Å | ||
| 761 | R | 88.6 | Confident | 91.4 | Very high | 78 Ų | 78 | 25 Ų | 25 | 29% | 0.294 | 13% | 0.129 | S | C | . | . | trans | -122.3 | 11.5 | -173.4 | 62.6 | -179.7 | 179 | -80.6 | -6.4 | 114.3 | I735 A737 C738 G758 R759 | I735-R761 PolarHBondContact O-NH2 3.39Å; A737-R761 HydrophobicContact CB-CG 3.86Å; C738-R761 PolarHBondContact O-N 3.46Å; C738-R761 VanDerWaalsContact O-N 3.15Å; G758-R761 WeakPolarHBondContact O-CD 3.22Å; G758-R761 PolarHBondContact O-NH1 3.3Å; R759-R761 VanDerWaalsContact C-N 3.3Å; R759-R761 PolarHBondContact O-N 3.13Å | ||
| 762 | A | 88.7 | Confident | 90.9 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -69.1 | 168.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C738 S765 | C738-A762 WeakPolarHBondContact O-CB 3.49Å; C738-A762 PolarHBondContact O-N 3.42Å; C738-A762 VanDerWaalsContact O-N 3.11Å; A762-S765 WeakPolarHBondContact O-CB 3.35Å; A762-S765 PolarHBondContact O-N 2.94Å; A762-S765 PolarHBondContact O-OG 3.4Å |
| 763 | E | 83 | Confident | 90.3 | Very high | 139 Ų | 139 | 30.4 Ų | 30.4 | 65% | 0.65 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 142.4 | 174.6 | -168.3 | 155.8 | -133.1 | 0 | 0 | 111.4 | K492 S765 | K492-E763 IonicContact NZ-OE1 3.35Å; E763-S765 PolarHBondContact O-N 3.3Å |
| 764 | D | 85.7 | Confident | 89.3 | Confident | 112 Ų | 112 | 37.9 Ų | 37.9 | 60% | 0.599 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38 | -175.6 | -63.3 | -36 | 0 | 0 | 0 | 114.9 | R653 | R653-D764 PolarHBondContact NH2-O 3.04Å; R653-D764 VanDerWaalsContact NH2-O 3.12Å |
| 765 | S | 92 | Very high | 88.8 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | trans | -69.1 | 141.3 | -179 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | Q494 R495 N739 G760 A762 E763 | Q494-S765 WeakPolarHBondContact CG-OG 3.47Å; R495-S765 PolarHBondContact N-O 2.98Å; N739-S765 CarbonylContact O-C 3.55Å; N739-S765 WeakPolarHBondContact O-CA 3.37Å; G760-S765 WeakPolarHBondContact O-CB 3.46Å; G760-S765 PolarHBondContact O-OG 3.41Å; A762-S765 WeakPolarHBondContact O-CB 3.35Å; A762-S765 PolarHBondContact O-N 2.94Å; A762-S765 PolarHBondContact O-OG 3.4Å; E763-S765 PolarHBondContact O-N 3.3Å | ||
| 766 | T | 94.3 | Very high | 88.4 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 148.9 | 177.8 | 65 | 0 | 0 | 0 | 0 | 112.1 | R495 E649 N739 F740 V741 | R495-T766 HydrophobicContact CB-CG2 4.36Å; E649-T766 PolarHBondContact OE1-OG1 3.49Å; E649-T766 PolarHBondContact OE2-OG1 2.89Å; E649-T766 VanDerWaalsContact OE2-OG1 3.07Å; N739-T766 PolarHBondContact O-N 3.35Å; F740-T766 CarbonylContact C-O 3.57Å; F740-T766 VanDerWaalsContact CA-O 3.29Å; F740-T766 WeakPolarHBondContact CA-O 3.21Å; F740-T766 WeakPolarHBondContact CB-OG1 3Å; V741-T766 PolarHBondContact N-O 3.42Å |
| 767 | Y | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.7 | 173 | 179 | -84.5 | 0 | 0 | 0 | 109.1 | R495 K496 S497 V741 R743 Q757 V769 E781 | R495-Y767 PolarHBondContact O-N 3.46Å; K496-Y767 CarbonylContact C-O 3.59Å; K496-Y767 VanDerWaalsContact CA-O 3.28Å; K496-Y767 WeakPolarHBondContact CA-O 3.42Å; K496-Y767 HydrophobicContact CD-CD1 4.02Å; K496-Y767 HydrophobicContact CD-CE1 4.28Å; K496-Y767 HydrophobicContact CG-CD1 3.98Å; S497-Y767 PolarHBondContact N-O 2.99Å; V741-Y767 HydrophobicContact CB-CD2 4.02Å; V741-Y767 HydrophobicContact CG1-CD2 4.01Å; V741-Y767 HydrophobicContact CG1-CE2 4.17Å; V741-Y767 CarbonylContact O-C 3.53Å; V741-Y767 WeakPolarHBondContact O-CA 3.34Å; R743-Y767 WeakPolarHBondContact CD-OH 3.21Å; R743-Y767 HydrophobicContact CG-CE2 4.24Å; Q757-Y767 HydrophobicContact CB-CD2 3.94Å; Q757-Y767 HydrophobicContact CB-CE2 3.98Å; Q757-Y767 HydrophobicContact CG-CD2 4.11Å; Q757-Y767 HydrophobicContact CG-CG 4.38Å; Y767-V769 HydrophobicContact CD1-CG2 4.31Å; Y767-V769 HydrophobicContact CE1-CG2 3.57Å; Y767-E781 WeakPolarHBondContact CE1-OE1 3.32Å; Y767-E781 PolarHBondContact OH-OE1 3.49Å |
| 768 | T | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.9 | -173.4 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | S497 L499 K645 V741 I742 R743 | S497-T768 VanDerWaalsContact O-CA 3.3Å; S497-T768 WeakPolarHBondContact O-CA 3.14Å; S497-T768 PolarHBondContact OG-OG1 3.35Å; L499-T768 HydrophobicContact CB-CG2 4.15Å; K645-T768 WeakPolarHBondContact CE-OG1 3.37Å; K645-T768 HydrophobicContact CG-CG2 4.4Å; V741-T768 PolarHBondContact O-N 2.92Å; I742-T768 CarbonylContact C-O 3.57Å; I742-T768 VanDerWaalsContact CA-O 3.31Å; I742-T768 WeakPolarHBondContact CA-O 3.39Å; R743-T768 PolarHBondContact N-O 3.43Å |
| 769 | V | 95.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.9 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | S497 I498 L499 R743 V747 Y767 V777 E781 | S497-V769 PolarHBondContact O-N 3.2Å; I498-V769 WeakPolarHBondContact CA-O 3.45Å; L499-V769 PolarHBondContact N-O 3.39Å; R743-V769 HydrophobicContact CB-CG2 4.4Å; V747-V769 HydrophobicContact CG2-CG1 4.2Å; Y767-V769 HydrophobicContact CD1-CG2 4.31Å; Y767-V769 HydrophobicContact CE1-CG2 3.57Å; V769-V777 HydrophobicContact CG1-CG1 3.54Å; V769-E781 HydrophobicContact CG2-CG 3.95Å |
| 770 | V | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.5 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | L499 V501 I742 R743 Y744 G745 V772 | L499-V770 HydrophobicContact CD2-CG2 4.43Å; V501-V770 HydrophobicContact CG2-CG1 3.38Å; I742-V770 HydrophobicContact CG2-CG2 3.85Å; R743-V770 PolarHBondContact O-N 3.25Å; Y744-V770 HydrophobicContact CD2-CB 3.82Å; Y744-V770 HydrophobicContact CD2-CG1 3.87Å; Y744-V770 HydrophobicContact CD2-CG2 3.91Å; Y744-V770 HydrophobicContact CE2-CB 4.37Å; Y744-V770 HydrophobicContact CE2-CG1 3.91Å; G745-V770 PolarHBondContact N-O 3.25Å; V770-V772 PolarHBondContact O-N 3.12Å |
| 771 | D | 90.2 | Very high | 88.5 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 96.7 | -175.8 | -175.7 | 39.3 | 0 | 0 | 0 | 110.4 | I498 L499 V501 K773 A778 | I498-D771 HydrophobicContact CG2-CB 3.9Å; L499-D771 PolarHBondContact O-N 2.73Å; V501-D771 VanDerWaalsContact CB-O 3.3Å; V501-D771 WeakPolarHBondContact CB-O 3.19Å; V501-D771 PolarHBondContact N-O 3.04Å; D771-K773 PolarHBondContact O-N 3.33Å; D771-A778 HydrophobicContact CB-CB 3.97Å; D771-A778 PolarHBondContact OD1-N 2.91Å; D771-A778 VanDerWaalsContact OD2-CB 3.28Å; D771-A778 WeakPolarHBondContact OD2-CB 3.5Å |
| 772 | V | 84.2 | Confident | 88.7 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | trans | -68.7 | 128.3 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | T575 V770 N774 S775 | T575-V772 HydrophobicContact CG2-CG1 4.27Å; T575-V772 HydrophobicContact CG2-CG2 4.33Å; V770-V772 PolarHBondContact O-N 3.12Å; V772-N774 PolarHBondContact O-N 3.05Å; V772-S775 WeakPolarHBondContact O-CB 3.42Å; V772-S775 PolarHBondContact O-N 2.75Å; V772-S775 PolarHBondContact O-OG 3.22Å | ||
| 773 | K | 78.6 | Confident | 89 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 138.5 | -178.9 | -158.9 | -170.9 | -173.6 | 174.5 | 0 | 111.9 | S503 D771 S775 | S503-K773 WeakPolarHBondContact OG-CD 3.45Å; S503-K773 PolarHBondContact OG-NZ 2.56Å; D771-K773 PolarHBondContact O-N 3.33Å; K773-S775 PolarHBondContact O-N 2.99Å; K773-S775 VanDerWaalsContact O-N 3.12Å |
| 774 | N | 73.8 | Confident | 89.6 | Confident | 158 Ų | 158 | 44.9 Ų | 44.9 | 85% | 0.845 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 10.4 | -178.5 | -55.9 | -24.1 | 0 | 0 | 0 | 115.4 | V772 | V772-N774 PolarHBondContact O-N 3.05Š|
| 775 | S | 79.4 | Confident | 89.9 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -83.1 | -18.6 | 176 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | V772 K773 V777 K780 | V772-S775 WeakPolarHBondContact O-CB 3.42Å; V772-S775 PolarHBondContact O-N 2.75Å; V772-S775 PolarHBondContact O-OG 3.22Å; K773-S775 PolarHBondContact O-N 2.99Å; K773-S775 VanDerWaalsContact O-N 3.12Å; S775-V777 PolarHBondContact O-N 3.28Å; S775-V777 VanDerWaalsContact OG-CB 3.28Å; S775-V777 WeakPolarHBondContact OG-CB 3.21Å; S775-V777 WeakPolarHBondContact OG-CG2 3.5Å; S775-V777 PolarHBondContact OG-N 3.45Å; S775-K780 PolarHBondContact O-NZ 2.83Å |
| 776 | G | 83.7 | Confident | 90 | Very high | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | trans | 63.9 | 21.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | K780 | G776-K780 WeakPolarHBondContact O-CB 3.28Å; G776-K780 WeakPolarHBondContact O-CD 3.22Å; G776-K780 WeakPolarHBondContact O-CG 3.41Å; G776-K780 PolarHBondContact O-N 3Å | ||
| 777 | V | 89.2 | Confident | 90.1 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -46.8 | -175.9 | 161.8 | 0 | 0 | 0 | 0 | 111.1 | V747 V769 S775 E779 K780 E781 | V747-V777 HydrophobicContact CB-CG1 4.48Å; V747-V777 HydrophobicContact CG2-CG1 3.71Å; V769-V777 HydrophobicContact CG1-CG1 3.54Å; S775-V777 PolarHBondContact O-N 3.28Å; S775-V777 VanDerWaalsContact OG-CB 3.28Å; S775-V777 WeakPolarHBondContact OG-CB 3.21Å; S775-V777 WeakPolarHBondContact OG-CG2 3.5Å; S775-V777 PolarHBondContact OG-N 3.45Å; V777-E779 VanDerWaalsContact C-N 3.34Å; V777-E779 PolarHBondContact O-N 3.44Å; V777-K780 PolarHBondContact O-N 3.26Å; V777-E781 PolarHBondContact O-N 3.4Å |
| 778 | A | 90.3 | Very high | 90 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I498 D771 E781 C782 | I498-A778 HydrophobicContact CD1-CB 4.26Å; I498-A778 HydrophobicContact CG2-CB 4.07Å; D771-A778 HydrophobicContact CB-CB 3.97Å; D771-A778 PolarHBondContact OD1-N 2.91Å; D771-A778 VanDerWaalsContact OD2-CB 3.28Å; D771-A778 WeakPolarHBondContact OD2-CB 3.5Å; A778-E781 PolarHBondContact O-N 3.47Å; A778-C782 PolarHBondContact O-N 3.46Å |
| 779 | E | 90.8 | Very high | 89.9 | Confident | 148 Ų | 148 | 56.2 Ų | 56.2 | 69% | 0.692 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 177.2 | -66.1 | 179.3 | 180 | 0 | 0 | 111.7 | V777 E781 C782 V783 | V777-E779 VanDerWaalsContact C-N 3.34Å; V777-E779 PolarHBondContact O-N 3.44Å; E779-E781 VanDerWaalsContact C-N 3.3Å; E779-E781 PolarHBondContact O-N 3.5Å; E779-C782 PolarHBondContact O-N 2.89Å; E779-V783 WeakPolarHBondContact O-CG2 3.12Å; E779-V783 PolarHBondContact O-N 3.41Å |
| 780 | K | 92.1 | Very high | 89.9 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.7 | -74.2 | 166.5 | -173.2 | 159.7 | 0 | 112 | V747 S775 G776 V777 V783 N784 | V747-K780 HydrophobicContact CB-CB 4.43Å; V747-K780 HydrophobicContact CG1-CB 4Å; S775-K780 PolarHBondContact O-NZ 2.83Å; G776-K780 WeakPolarHBondContact O-CB 3.28Å; G776-K780 WeakPolarHBondContact O-CD 3.22Å; G776-K780 WeakPolarHBondContact O-CG 3.41Å; G776-K780 PolarHBondContact O-N 3Å; V777-K780 PolarHBondContact O-N 3.26Å; K780-V783 PolarHBondContact O-N 2.81Å; K780-N784 VanDerWaalsContact O-CG 3.27Å; K780-N784 PolarHBondContact O-N 3.16Å; K780-N784 PolarHBondContact O-ND2 3.39Å |
| 781 | E | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.3 | -169.5 | 73 | 173.8 | 0 | 0 | 111.3 | K496 R743 V747 M753 Y767 V769 V777 A778 E779 V783 N784 E785 | K496-E781 WeakPolarHBondContact CE-OE1 3.17Å; K496-E781 IonicContact NZ-OE1 3.82Å; K496-E781 PolarHBondContact NZ-OE1 3.34Å; R743-E781 IonicContact NH1-OE2 2.76Å; V747-E781 HydrophobicContact CG1-CB 4.5Å; V747-E781 VanDerWaalsContact CG1-OE2 3.25Å; V747-E781 WeakPolarHBondContact CG1-OE2 3.46Å; V747-E781 HydrophobicContact CG2-CB 4.24Å; V747-E781 VanDerWaalsContact CG2-OE2 3.25Å; V747-E781 WeakPolarHBondContact CG2-OE2 3.42Å; M753-E781 WeakPolarHBondContact CG-OE1 3.45Å; Y767-E781 WeakPolarHBondContact CE1-OE1 3.32Å; Y767-E781 PolarHBondContact OH-OE1 3.49Å; V769-E781 HydrophobicContact CG2-CG 3.95Å; V777-E781 PolarHBondContact O-N 3.4Å; A778-E781 PolarHBondContact O-N 3.47Å; E779-E781 VanDerWaalsContact C-N 3.3Å; E779-E781 PolarHBondContact O-N 3.5Å; E781-V783 VanDerWaalsContact C-N 3.31Å; E781-V783 PolarHBondContact O-N 3.48Å; E781-N784 WeakPolarHBondContact O-CA 3.44Å; E781-N784 WeakPolarHBondContact O-CB 3.28Å; E781-N784 PolarHBondContact O-N 3.13Å; E781-E785 PolarHBondContact O-N 3.46Å |
| 782 | C | 93.4 | Very high | 90.2 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | A778 E779 N784 E785 Y786 | A778-C782 PolarHBondContact O-N 3.46Å; E779-C782 PolarHBondContact O-N 2.89Å; C782-N784 VanDerWaalsContact C-N 3.31Å; C782-N784 PolarHBondContact O-N 3.5Å; C782-E785 PolarHBondContact O-N 3.13Å; C782-Y786 PolarHBondContact O-N 3.34Å |
| 783 | V | 93.9 | Very high | 90.7 | Very high | 67 Ų | 67 | 63 Ų | 63 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 173.3 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | E779 K780 E781 Y786 R787 | E779-V783 WeakPolarHBondContact O-CG2 3.12Å; E779-V783 PolarHBondContact O-N 3.41Å; K780-V783 PolarHBondContact O-N 2.81Å; E781-V783 VanDerWaalsContact C-N 3.31Å; E781-V783 PolarHBondContact O-N 3.48Å; V783-Y786 PolarHBondContact O-N 3.24Å; V783-R787 VanDerWaalsContact O-CG 3.28Å; V783-R787 WeakPolarHBondContact O-CG 3.32Å; V783-R787 PolarHBondContact O-N 2.95Å |
| 784 | N | 94.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.2 | -36.8 | 178 | -71.3 | -24.4 | 0 | 0 | 0 | 112.4 | V747 E750 M753 K780 E781 C782 R787 E788 | V747-N784 WeakPolarHBondContact CG1-ND2 3.4Å; E750-N784 HydrophobicContact CB-CB 4.3Å; E750-N784 PolarHBondContact N-OD1 2.76Å; M753-N784 HydrophobicContact CE-CB 4.26Å; M753-N784 HydrophobicContact SD-CB 3.61Å; K780-N784 VanDerWaalsContact O-CG 3.27Å; K780-N784 PolarHBondContact O-N 3.16Å; K780-N784 PolarHBondContact O-ND2 3.39Å; E781-N784 WeakPolarHBondContact O-CA 3.44Å; E781-N784 WeakPolarHBondContact O-CB 3.28Å; E781-N784 PolarHBondContact O-N 3.13Å; C782-N784 VanDerWaalsContact C-N 3.31Å; C782-N784 PolarHBondContact O-N 3.5Å; N784-R787 WeakPolarHBondContact O-CB 3.44Å; N784-R787 PolarHBondContact O-N 3.08Å; N784-R787 PolarHBondContact OD1-NH1 2.86Å; N784-E788 PolarHBondContact O-N 2.85Å |
| 785 | E | 93.4 | Very high | 92.6 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 171 | -69.8 | 174.5 | -174 | 0 | 0 | 111.7 | K496 M753 E781 C782 R787 E788 Q789 | K496-E785 VanDerWaalsContact CD-OE1 3.29Å; K496-E785 WeakPolarHBondContact CD-OE1 3.43Å; K496-E785 WeakPolarHBondContact CE-OE1 3.31Å; K496-E785 IonicContact NZ-OE1 2.94Å; K496-E785 PolarHBondContact NZ-OE1 2.99Å; M753-E785 HydrophobicContact CE-CG 4.41Å; M753-E785 HydrophobicContact SD-CG 4.09Å; E781-E785 PolarHBondContact O-N 3.46Å; C782-E785 PolarHBondContact O-N 3.13Å; E785-R787 VanDerWaalsContact C-N 3.25Å; E785-R787 PolarHBondContact O-N 3.32Å; E785-E788 PolarHBondContact O-N 3.4Å; E785-Q789 WeakPolarHBondContact O-CG 3.24Å; E785-Q789 PolarHBondContact O-N 2.97Å |
| 786 | Y | 94.3 | Very high | 93.3 | Very high | 130 Ų | 130 | 53 Ų | 53 | 51% | 0.51 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 175.1 | 179.6 | -108.9 | 0 | 0 | 0 | 111.6 | C782 V783 Q789 M790 | C782-Y786 PolarHBondContact O-N 3.34Å; V783-Y786 PolarHBondContact O-N 3.24Å; Y786-Q789 PolarHBondContact O-N 3.41Å; Y786-M790 HydrophobicContact CD1-CE 3.79Å; Y786-M790 HydrophobicContact CE1-CE 3.11Å; Y786-M790 VanDerWaalsContact O-CB 3.31Å; Y786-M790 WeakPolarHBondContact O-CB 3.37Å; Y786-M790 PolarHBondContact O-N 3.15Å |
| 787 | R | 95.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 18% | 0.181 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.4 | -74.8 | 175.8 | 172.7 | 159.3 | -0.8 | 112.8 | V459 G461 E750 V783 N784 E785 M790 M791 | V459-R787 WeakPolarHBondContact CG1-O 3.49Å; V459-R787 HydrophobicContact CG2-CB 3.74Å; V459-R787 HydrophobicContact CG2-CG 3.69Å; G461-R787 PolarHBondContact O-NH2 3.25Å; E750-R787 HydrophobicContact CB-CB 3.98Å; E750-R787 HydrophobicContact CG-CB 4.18Å; V783-R787 VanDerWaalsContact O-CG 3.28Å; V783-R787 WeakPolarHBondContact O-CG 3.32Å; V783-R787 PolarHBondContact O-N 2.95Å; N784-R787 WeakPolarHBondContact O-CB 3.44Å; N784-R787 PolarHBondContact O-N 3.08Å; N784-R787 PolarHBondContact OD1-NH1 2.86Å; E785-R787 VanDerWaalsContact C-N 3.25Å; E785-R787 PolarHBondContact O-N 3.32Å; R787-M790 PolarHBondContact O-N 3.04Å; R787-M791 WeakPolarHBondContact O-CB 3.48Å; R787-M791 PolarHBondContact O-N 2.76Å |
| 788 | E | 94.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 173.1 | -179.4 | -175.7 | 172.2 | 0 | 0 | 111.1 | K491 M753 I754 N784 E785 M790 M791 N792 | K491-E788 IonicContact NZ-OE1 3.92Å; K491-E788 PolarHBondContact NZ-OE1 2.86Å; M753-E788 HydrophobicContact CE-CB 4.15Å; M753-E788 WeakPolarHBondContact CE-OE2 3.43Å; I754-E788 HydrophobicContact CD1-CB 4.24Å; I754-E788 HydrophobicContact CD1-CG 3.84Å; I754-E788 HydrophobicContact CG1-CG 4.26Å; N784-E788 PolarHBondContact O-N 2.85Å; E785-E788 PolarHBondContact O-N 3.4Å; E788-M790 VanDerWaalsContact C-N 3.33Å; E788-M790 PolarHBondContact O-N 2.86Å; E788-M791 HydrophobicContact CG-CE 4.29Å; E788-M791 WeakPolarHBondContact O-CB 3.46Å; E788-M791 PolarHBondContact O-N 3.04Å; E788-N792 PolarHBondContact O-N 2.71Å; E788-N792 PolarHBondContact O-ND2 3.11Å |
| 789 | Q | 93.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177 | -67 | 179.3 | 14.3 | 0 | 0 | 111.7 | E785 Y786 N792 K793 | E785-Q789 WeakPolarHBondContact O-CG 3.24Å; E785-Q789 PolarHBondContact O-N 2.97Å; Y786-Q789 PolarHBondContact O-N 3.41Å; Q789-N792 PolarHBondContact O-N 3.22Å; Q789-K793 WeakPolarHBondContact O-CG 3.28Å; Q789-K793 PolarHBondContact O-N 3.31Å |
| 790 | M | 95.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.7 | -173.2 | -172.9 | -58.1 | 0 | 0 | 111.6 | L465 A468 Y786 R787 E788 K793 A794 | L465-M790 HydrophobicContact CB-CG 4.3Å; L465-M790 HydrophobicContact CD1-CG 3.74Å; L465-M790 WeakPolarHBondContact CD1-O 3.3Å; A468-M790 HydrophobicContact CB-CG 3.79Å; A468-M790 HydrophobicContact CB-SD 3.63Å; Y786-M790 HydrophobicContact CD1-CE 3.79Å; Y786-M790 HydrophobicContact CE1-CE 3.11Å; Y786-M790 VanDerWaalsContact O-CB 3.31Å; Y786-M790 WeakPolarHBondContact O-CB 3.37Å; Y786-M790 PolarHBondContact O-N 3.15Å; R787-M790 PolarHBondContact O-N 3.04Å; E788-M790 VanDerWaalsContact C-N 3.33Å; E788-M790 PolarHBondContact O-N 2.86Å; M790-K793 PolarHBondContact O-N 3.2Å; M790-A794 WeakPolarHBondContact O-CB 3.16Å; M790-A794 PolarHBondContact O-N 2.9Å |
| 791 | M | 95.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 175.2 | -175.7 | -173.5 | 66.5 | 0 | 0 | 110.9 | S456 P457 V459 I472 I754 R787 E788 K793 A794 I795 | S456-M791 PolarHBondContact OG-SD 3.44Å; P457-M791 HydrophobicContact CG-CG 4.29Å; P457-M791 HydrophobicContact CG-SD 4.01Å; V459-M791 HydrophobicContact CG1-CB 3.57Å; V459-M791 HydrophobicContact CG1-CG 4.19Å; I472-M791 HydrophobicContact CD1-CG 4.08Å; I754-M791 HydrophobicContact CD1-CE 3.92Å; R787-M791 WeakPolarHBondContact O-CB 3.48Å; R787-M791 PolarHBondContact O-N 2.76Å; E788-M791 HydrophobicContact CG-CE 4.29Å; E788-M791 WeakPolarHBondContact O-CB 3.46Å; E788-M791 PolarHBondContact O-N 3.04Å; M791-K793 VanDerWaalsContact C-N 3.3Å; M791-K793 PolarHBondContact O-N 3.41Å; M791-A794 WeakPolarHBondContact O-CB 3.48Å; M791-A794 PolarHBondContact O-N 3.29Å; M791-A794 VanDerWaalsContact O-N 3.08Å; M791-I795 HydrophobicContact CG-CD1 4.07Å; M791-I795 WeakPolarHBondContact O-CG1 3.47Å; M791-I795 PolarHBondContact O-N 2.86Å |
| 792 | N | 93.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 179.6 | -67.6 | -33.6 | 0 | 0 | 0 | 111 | E788 Q789 A794 I795 Q796 | E788-N792 PolarHBondContact O-N 2.71Å; E788-N792 PolarHBondContact O-ND2 3.11Å; Q789-N792 PolarHBondContact O-N 3.22Å; N792-A794 PolarHBondContact O-N 3.44Å; N792-I795 PolarHBondContact O-N 2.83Å; N792-Q796 VanDerWaalsContact O-CG 3.27Å; N792-Q796 WeakPolarHBondContact O-CG 3.1Å; N792-Q796 PolarHBondContact O-N 3.29Å |
| 793 | K | 95.6 | Very high | 94.8 | Very high | 125 Ų | 125 | 63.9 Ų | 63.9 | 54% | 0.543 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.3 | -72.1 | 174.2 | -177.4 | 175.2 | 0 | 112.4 | L465 Q789 M790 M791 Q796 K797 | L465-K793 HydrophobicContact CD1-CB 3.89Å; Q789-K793 WeakPolarHBondContact O-CG 3.28Å; Q789-K793 PolarHBondContact O-N 3.31Å; M790-K793 PolarHBondContact O-N 3.2Å; M791-K793 VanDerWaalsContact C-N 3.3Å; M791-K793 PolarHBondContact O-N 3.41Å; K793-Q796 PolarHBondContact O-N 3.39Å; K793-K797 WeakPolarHBondContact O-CG 3.44Å; K793-K797 PolarHBondContact O-N 2.92Å |
| 794 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L465 A468 E469 I472 M790 M791 N792 Q796 K797 I798 | L465-A794 HydrophobicContact CD1-CB 3.97Å; A468-A794 HydrophobicContact CB-CB 4.28Å; E469-A794 HydrophobicContact CB-CB 4.34Å; I472-A794 HydrophobicContact CD1-CB 3.73Å; M790-A794 WeakPolarHBondContact O-CB 3.16Å; M790-A794 PolarHBondContact O-N 2.9Å; M791-A794 WeakPolarHBondContact O-CB 3.48Å; M791-A794 PolarHBondContact O-N 3.29Å; M791-A794 VanDerWaalsContact O-N 3.08Å; N792-A794 PolarHBondContact O-N 3.44Å; A794-Q796 VanDerWaalsContact C-N 3.31Å; A794-Q796 PolarHBondContact O-N 2.9Å; A794-K797 WeakPolarHBondContact O-CB 3.4Å; A794-K797 PolarHBondContact O-N 2.95Å; A794-K797 VanDerWaalsContact O-N 3.15Å; A794-I798 VanDerWaalsContact O-CG1 3.31Å; A794-I798 WeakPolarHBondContact O-CG1 3.49Å; A794-I798 PolarHBondContact O-N 3.2Å |
| 795 | I | 95.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.4 | -65.2 | 173 | 0 | 0 | 0 | 110.6 | P457 I472 I484 T486 M791 N792 K797 I798 K799 | P457-I795 HydrophobicContact CG-CD1 4.01Å; I472-I795 HydrophobicContact CD1-CG1 3.81Å; I484-I795 HydrophobicContact CD1-CD1 4.44Å; I484-I795 HydrophobicContact CD1-CG1 4.34Å; I484-I795 HydrophobicContact CG2-CG2 4.36Å; T486-I795 HydrophobicContact CG2-CG2 3.85Å; M791-I795 HydrophobicContact CG-CD1 4.07Å; M791-I795 WeakPolarHBondContact O-CG1 3.47Å; M791-I795 PolarHBondContact O-N 2.86Å; N792-I795 PolarHBondContact O-N 2.83Å; I795-K797 VanDerWaalsContact C-N 3.31Å; I795-K797 PolarHBondContact O-N 2.98Å; I795-I798 PolarHBondContact O-N 3.26Å; I795-K799 HydrophobicContact CG2-CD 4.24Å; I795-K799 HydrophobicContact CG2-CG 4.41Å; I795-K799 WeakPolarHBondContact O-CB 3.36Å; I795-K799 WeakPolarHBondContact O-CG 3.36Å; I795-K799 PolarHBondContact O-N 3.34Å |
| 796 | Q | 94.6 | Very high | 95.1 | Very high | 98 Ų | 98 | 65.3 Ų | 65.3 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -34 | 178.3 | -68.8 | -61.7 | -22.1 | 0 | 0 | 112.9 | N792 K793 A794 K800 | N792-Q796 VanDerWaalsContact O-CG 3.27Å; N792-Q796 WeakPolarHBondContact O-CG 3.1Å; N792-Q796 PolarHBondContact O-N 3.29Å; K793-Q796 PolarHBondContact O-N 3.39Å; A794-Q796 VanDerWaalsContact C-N 3.31Å; A794-Q796 PolarHBondContact O-N 2.9Å; Q796-K800 VanDerWaalsContact O-CG 3.28Å; Q796-K800 WeakPolarHBondContact O-CG 3.45Å; Q796-K800 PolarHBondContact O-N 2.84Å |
| 797 | K | 95.8 | Very high | 95.2 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.2 | -48 | 172.1 | -78.1 | -174.7 | 170 | -168.1 | 0 | 111.6 | L465 K793 A794 I795 K799 K800 L801 | L465-K797 HydrophobicContact CD2-CD 4.12Å; L465-K797 VanDerWaalsContact CD2-NZ 3.3Å; K793-K797 WeakPolarHBondContact O-CG 3.44Å; K793-K797 PolarHBondContact O-N 2.92Å; A794-K797 WeakPolarHBondContact O-CB 3.4Å; A794-K797 PolarHBondContact O-N 2.95Å; A794-K797 VanDerWaalsContact O-N 3.15Å; I795-K797 VanDerWaalsContact C-N 3.31Å; I795-K797 PolarHBondContact O-N 2.98Å; K797-K799 VanDerWaalsContact C-N 3.32Å; K797-K799 PolarHBondContact O-N 2.87Å; K797-K800 PolarHBondContact O-N 2.88Å; K797-L801 PolarHBondContact O-N 3.15Å |
| 798 | I | 95.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | -180 | -68 | 166.1 | 0 | 0 | 0 | 110.8 | E469 I472 L473 I484 A794 I795 K800 L801 Y806 | E469-I798 HydrophobicContact CG-CD1 4.12Å; E469-I798 HydrophobicContact CG-CG1 3.89Å; I472-I798 HydrophobicContact CB-CD1 3.68Å; I472-I798 HydrophobicContact CG2-CD1 3.49Å; I472-I798 VanDerWaalsContact CG2-CD1 3.49Å; L473-I798 HydrophobicContact CD2-CD1 4.16Å; L473-I798 HydrophobicContact CD2-CG1 4.07Å; L473-I798 HydrophobicContact CD2-CG2 3.98Å; L473-I798 HydrophobicContact CG-CD1 3.92Å; L473-I798 HydrophobicContact CG-CG1 4.12Å; I484-I798 HydrophobicContact CG2-CG2 4.21Å; A794-I798 VanDerWaalsContact O-CG1 3.31Å; A794-I798 WeakPolarHBondContact O-CG1 3.49Å; A794-I798 PolarHBondContact O-N 3.2Å; I795-I798 PolarHBondContact O-N 3.26Å; I798-K800 PolarHBondContact O-N 2.86Å; I798-L801 WeakPolarHBondContact O-CB 3.3Å; I798-L801 PolarHBondContact O-N 2.89Å; I798-L801 VanDerWaalsContact O-N 3.1Å; I798-Y806 HydrophobicContact CG2-CD2 4.07Å; I798-Y806 HydrophobicContact CG2-CE2 3.78Å |
| 799 | K | 93.5 | Very high | 95.3 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -23.4 | 176.2 | -80 | -174.8 | 143.6 | -168.1 | 0 | 114.2 | I484 T486 I795 K797 | I484-K799 HydrophobicContact CG2-CG 4.36Å; I484-K799 WeakPolarHBondContact O-CE 3.36Å; T486-K799 PolarHBondContact OG1-NZ 3.41Å; I795-K799 HydrophobicContact CG2-CD 4.24Å; I795-K799 HydrophobicContact CG2-CG 4.41Å; I795-K799 WeakPolarHBondContact O-CB 3.36Å; I795-K799 WeakPolarHBondContact O-CG 3.36Å; I795-K799 PolarHBondContact O-N 3.34Å; K797-K799 VanDerWaalsContact C-N 3.32Å; K797-K799 PolarHBondContact O-N 2.87Å |
| 800 | K | 94.9 | Very high | 95.5 | Very high | 167 Ų | 167 | 63.1 Ų | 63.1 | 73% | 0.726 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.5 | 178.5 | -70.2 | 176 | -177 | -172.6 | 0 | 113.2 | Q796 K797 I798 | Q796-K800 VanDerWaalsContact O-CG 3.28Å; Q796-K800 WeakPolarHBondContact O-CG 3.45Å; Q796-K800 PolarHBondContact O-N 2.84Å; K797-K800 PolarHBondContact O-N 2.88Å; I798-K800 PolarHBondContact O-N 2.86Å |
| 801 | L | 94.2 | Very high | 95.5 | Very high | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -67.9 | 143.2 | 177.2 | -68.8 | 173.9 | 0 | 0 | 0 | 110.5 | K797 I798 Q803 Y806 | K797-L801 PolarHBondContact O-N 3.15Å; I798-L801 WeakPolarHBondContact O-CB 3.3Å; I798-L801 PolarHBondContact O-N 2.89Å; I798-L801 VanDerWaalsContact O-N 3.1Å; L801-Q803 PolarHBondContact O-N 3.45Å; L801-Y806 HydrophobicContact CD1-CD2 4.47Å |
| 802 | D | 95.9 | Very high | 95.5 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | trans | -60.5 | 136.8 | 168.4 | -65.2 | -40.6 | 0 | 0 | 0 | 110.1 | S804 V805 Y806 | D802-S804 PolarHBondContact O-N 3.46Å; D802-S804 VanDerWaalsContact O-N 3.12Å; D802-V805 HydrophobicContact CB-CB 4.43Å; D802-V805 HydrophobicContact CB-CG2 4.11Å; D802-V805 PolarHBondContact O-N 2.75Å; D802-Y806 PolarHBondContact O-N 3.31Å | ||
| 803 | Q | 93.6 | Very high | 95.6 | Very high | 81 Ų | 81 | 68.5 Ų | 68.5 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -32.7 | -175.5 | -168.4 | 66.8 | 51.6 | 0 | 0 | 112.6 | S482 L801 N807 | S482-Q803 PolarHBondContact O-NE2 2.9Å; L801-Q803 PolarHBondContact O-N 3.45Å; Q803-N807 PolarHBondContact NE2-OD1 3.2Å; Q803-N807 VanDerWaalsContact O-CB 3.26Å; Q803-N807 WeakPolarHBondContact O-CB 3.43Å; Q803-N807 PolarHBondContact O-N 2.66Å; Q803-N807 PolarHBondContact O-ND2 2.89Å; Q803-N807 PolarHBondContact O-OD1 3.26Å |
| 804 | S | 95.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 62% | 0.622 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 177 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | D802 K808 | D802-S804 PolarHBondContact O-N 3.46Å; D802-S804 VanDerWaalsContact O-N 3.12Å; S804-K808 WeakPolarHBondContact O-CB 3.41Å; S804-K808 PolarHBondContact O-N 3.28Å; S804-K808 VanDerWaalsContact O-N 3.12Å |
| 805 | V | 95.8 | Very high | 95.5 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -47.2 | 177 | 177.6 | 0 | 0 | 0 | 0 | 110 | D802 N807 K808 Q809 | D802-V805 HydrophobicContact CB-CB 4.43Å; D802-V805 HydrophobicContact CB-CG2 4.11Å; D802-V805 PolarHBondContact O-N 2.75Å; V805-N807 PolarHBondContact O-N 2.96Å; V805-K808 WeakPolarHBondContact O-CB 3.35Å; V805-K808 PolarHBondContact O-N 3.48Å; V805-Q809 PolarHBondContact O-N 3.1Å |
| 806 | Y | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.3 | -52.6 | 175.7 | 177.8 | -91.2 | 0 | 0 | 0 | 111.2 | L473 C476 A481 S482 I798 L801 D802 K808 Q809 I810 | L473-Y806 HydrophobicContact CD2-CD2 3.85Å; L473-Y806 HydrophobicContact CD2-CE2 3.69Å; C476-Y806 VanDerWaalsContact CB-OH 3.3Å; C476-Y806 WeakPolarHBondContact CB-OH 3.45Å; A481-Y806 WeakPolarHBondContact O-CE1 3.49Å; A481-Y806 PolarHBondContact O-OH 2.85Å; S482-Y806 WeakPolarHBondContact O-CE1 3.43Å; I798-Y806 HydrophobicContact CG2-CD2 4.07Å; I798-Y806 HydrophobicContact CG2-CE2 3.78Å; L801-Y806 HydrophobicContact CD1-CD2 4.47Å; D802-Y806 PolarHBondContact O-N 3.31Å; Y806-K808 PolarHBondContact O-N 2.82Å; Y806-Q809 PolarHBondContact O-N 3.38Å; Y806-Q809 VanDerWaalsContact O-N 3.14Å; Y806-I810 HydrophobicContact CD1-CG1 3.83Å; Y806-I810 HydrophobicContact CD2-CG1 4.39Å; Y806-I810 HydrophobicContact CE1-CD1 4.09Å; Y806-I810 HydrophobicContact CE1-CG1 3.44Å; Y806-I810 VanDerWaalsContact CE1-CG1 3.44Å; Y806-I810 HydrophobicContact CE2-CD1 4.04Å; Y806-I810 HydrophobicContact CE2-CG1 4.07Å; Y806-I810 HydrophobicContact CG-CG1 4.29Å; Y806-I810 VanDerWaalsContact O-CG1 3.31Å; Y806-I810 WeakPolarHBondContact O-CG1 3.1Å; Y806-I810 PolarHBondContact O-N 3.47Å |
| 807 | N | 95.8 | Very high | 95.2 | Very high | 76 Ų | 76 | 66.4 Ų | 66.4 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.2 | -35.2 | -179.7 | -72.5 | -13.6 | 0 | 0 | 0 | 112.9 | Q803 V805 T811 | Q803-N807 PolarHBondContact NE2-OD1 3.2Å; Q803-N807 VanDerWaalsContact O-CB 3.26Å; Q803-N807 WeakPolarHBondContact O-CB 3.43Å; Q803-N807 PolarHBondContact O-N 2.66Å; Q803-N807 PolarHBondContact O-ND2 2.89Å; Q803-N807 PolarHBondContact O-OD1 3.26Å; V805-N807 PolarHBondContact O-N 2.96Å; N807-T811 WeakPolarHBondContact O-CB 3.15Å; N807-T811 PolarHBondContact O-N 3.18Å; N807-T811 PolarHBondContact O-OG1 3.46Å |
| 808 | K | 96.3 | Very high | 94.9 | Very high | 135 Ų | 135 | 62.5 Ų | 62.5 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.5 | -51.4 | 175.3 | -176.4 | -178.6 | 174 | -174.4 | 0 | 111 | S804 V805 Y806 I810 T811 E812 | S804-K808 WeakPolarHBondContact O-CB 3.41Å; S804-K808 PolarHBondContact O-N 3.28Å; S804-K808 VanDerWaalsContact O-N 3.12Å; V805-K808 WeakPolarHBondContact O-CB 3.35Å; V805-K808 PolarHBondContact O-N 3.48Å; Y806-K808 PolarHBondContact O-N 2.82Å; K808-I810 PolarHBondContact O-N 3.42Å; K808-T811 PolarHBondContact O-N 2.97Å; K808-E812 WeakPolarHBondContact CE-OE1 3.45Å; K808-E812 WeakPolarHBondContact O-CG 3.29Å; K808-E812 PolarHBondContact O-N 3.47Å |
| 809 | Q | 96.5 | Very high | 94.6 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 178.2 | -70.8 | 179.3 | -17 | 0 | 0 | 112.1 | L473 V805 Y806 T811 E812 F813 | L473-Q809 VanDerWaalsContact CD1-OE1 3.3Å; V805-Q809 PolarHBondContact O-N 3.1Å; Y806-Q809 PolarHBondContact O-N 3.38Å; Y806-Q809 VanDerWaalsContact O-N 3.14Å; Q809-T811 VanDerWaalsContact C-N 3.32Å; Q809-T811 PolarHBondContact O-N 3.3Å; Q809-E812 PolarHBondContact O-N 2.68Å; Q809-F813 HydrophobicContact CB-CE2 4.48Å; Q809-F813 WeakPolarHBondContact O-CD2 3.13Å; Q809-F813 PolarHBondContact O-N 2.9Å |
| 810 | I | 97.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.2 | -68.8 | -57.9 | 0 | 0 | 0 | 111 | L473 C476 A477 Y806 K808 E812 F813 Q814 | L473-I810 HydrophobicContact CD2-CD1 4.4Å; L473-I810 WeakPolarHBondContact O-CD1 3.32Å; C476-I810 HydrophobicContact CB-CD1 3.7Å; A477-I810 HydrophobicContact CB-CD1 3.96Å; A477-I810 HydrophobicContact CB-CG2 4.24Å; Y806-I810 HydrophobicContact CD1-CG1 3.83Å; Y806-I810 HydrophobicContact CD2-CG1 4.39Å; Y806-I810 HydrophobicContact CE1-CD1 4.09Å; Y806-I810 HydrophobicContact CE1-CG1 3.44Å; Y806-I810 VanDerWaalsContact CE1-CG1 3.44Å; Y806-I810 HydrophobicContact CE2-CD1 4.04Å; Y806-I810 HydrophobicContact CE2-CG1 4.07Å; Y806-I810 HydrophobicContact CG-CG1 4.29Å; Y806-I810 VanDerWaalsContact O-CG1 3.31Å; Y806-I810 WeakPolarHBondContact O-CG1 3.1Å; Y806-I810 PolarHBondContact O-N 3.47Å; K808-I810 PolarHBondContact O-N 3.42Å; I810-E812 VanDerWaalsContact C-N 3.33Å; I810-E812 PolarHBondContact O-N 2.59Å; I810-F813 PolarHBondContact O-N 3.04Å; I810-Q814 HydrophobicContact CG2-CG 4.38Å; I810-Q814 WeakPolarHBondContact O-CB 3.37Å; I810-Q814 VanDerWaalsContact O-CG 3.23Å; I810-Q814 WeakPolarHBondContact O-CG 3.3Å; I810-Q814 PolarHBondContact O-N 2.83Å |
| 811 | T | 95.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | N807 K808 Q809 Q814 I815 | N807-T811 WeakPolarHBondContact O-CB 3.15Å; N807-T811 PolarHBondContact O-N 3.18Å; N807-T811 PolarHBondContact O-OG1 3.46Å; K808-T811 PolarHBondContact O-N 2.97Å; Q809-T811 VanDerWaalsContact C-N 3.32Å; Q809-T811 PolarHBondContact O-N 3.3Å; T811-Q814 PolarHBondContact O-N 3.48Å; T811-I815 HydrophobicContact CG2-CD1 4.08Å; T811-I815 WeakPolarHBondContact O-CG1 3.34Å; T811-I815 PolarHBondContact O-N 3.06Å; T811-I815 VanDerWaalsContact O-N 3.09Å |
| 812 | E | 96.1 | Very high | 93.5 | Very high | 107 Ų | 107 | 63.7 Ų | 63.7 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 176.2 | -73.1 | 170.9 | -173.8 | 0 | 0 | 111.2 | K808 Q809 I810 Q814 I815 Q816 | K808-E812 WeakPolarHBondContact CE-OE1 3.45Å; K808-E812 WeakPolarHBondContact O-CG 3.29Å; K808-E812 PolarHBondContact O-N 3.47Å; Q809-E812 PolarHBondContact O-N 2.68Å; I810-E812 VanDerWaalsContact C-N 3.33Å; I810-E812 PolarHBondContact O-N 2.59Å; E812-Q814 VanDerWaalsContact C-N 3.34Å; E812-Q814 PolarHBondContact O-N 3.17Å; E812-I815 PolarHBondContact O-N 3.38Å; E812-Q816 PolarHBondContact O-N 3.32Å |
| 813 | F | 96.5 | Very high | 93 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.9 | -72.8 | -55.2 | 0 | 0 | 0 | 113 | E470 L473 A477 Q809 I810 Q816 A817 | E470-F813 HydrophobicContact CG-CE1 3.97Å; E470-F813 HydrophobicContact CG-CZ 3.83Å; L473-F813 HydrophobicContact CB-CD2 4.11Å; L473-F813 HydrophobicContact CB-CE2 3.76Å; L473-F813 HydrophobicContact CD1-CE2 4.21Å; A477-F813 HydrophobicContact CB-CB 3.53Å; Q809-F813 HydrophobicContact CB-CE2 4.48Å; Q809-F813 WeakPolarHBondContact O-CD2 3.13Å; Q809-F813 PolarHBondContact O-N 2.9Å; I810-F813 PolarHBondContact O-N 3.04Å; F813-Q816 PolarHBondContact O-N 3.4Å; F813-A817 WeakPolarHBondContact O-CB 3.4Å; F813-A817 PolarHBondContact O-N 3.43Å |
| 814 | Q | 95.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 174.6 | -76 | 174.6 | -8.5 | 0 | 0 | 111.8 | L428 A477 D480 I810 T811 E812 Q816 A817 I818 | L428-Q814 HydrophobicContact CD1-CB 4.48Å; L428-Q814 HydrophobicContact CD1-CG 4.06Å; L428-Q814 HydrophobicContact CD2-CG 3.84Å; A477-Q814 HydrophobicContact CB-CG 4.1Å; A477-Q814 VanDerWaalsContact O-CG 3.32Å; A477-Q814 WeakPolarHBondContact O-CG 3.45Å; A477-Q814 PolarHBondContact O-NE2 3.31Å; D480-Q814 PolarHBondContact OD1-NE2 2.76Å; I810-Q814 HydrophobicContact CG2-CG 4.38Å; I810-Q814 WeakPolarHBondContact O-CB 3.37Å; I810-Q814 VanDerWaalsContact O-CG 3.23Å; I810-Q814 WeakPolarHBondContact O-CG 3.3Å; I810-Q814 PolarHBondContact O-N 2.83Å; T811-Q814 PolarHBondContact O-N 3.48Å; E812-Q814 VanDerWaalsContact C-N 3.34Å; E812-Q814 PolarHBondContact O-N 3.17Å; Q814-Q816 VanDerWaalsContact C-N 3.34Å; Q814-A817 PolarHBondContact O-N 2.84Å; Q814-I818 VanDerWaalsContact O-CG1 3.27Å; Q814-I818 WeakPolarHBondContact O-CG1 3.38Å; Q814-I818 PolarHBondContact O-N 3.42Å |
| 815 | I | 93.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 61.4 Ų | 61.4 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 178.2 | -67.6 | 168.3 | 0 | 0 | 0 | 110.1 | T811 E812 I818 M819 | T811-I815 HydrophobicContact CG2-CD1 4.08Å; T811-I815 WeakPolarHBondContact O-CG1 3.34Å; T811-I815 PolarHBondContact O-N 3.06Å; T811-I815 VanDerWaalsContact O-N 3.09Å; E812-I815 PolarHBondContact O-N 3.38Å; I815-I818 PolarHBondContact O-N 3.21Å; I815-M819 WeakPolarHBondContact O-CG 3.12Å; I815-M819 PolarHBondContact O-N 3.23Å |
| 816 | Q | 92 | Very high | 91.2 | Very high | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 175.9 | -177.5 | 179.6 | -13.3 | 0 | 0 | 111.3 | E812 F813 Q814 I818 M819 E820 | E812-Q816 PolarHBondContact O-N 3.32Å; F813-Q816 PolarHBondContact O-N 3.4Å; Q814-Q816 VanDerWaalsContact C-N 3.34Å; Q816-I818 VanDerWaalsContact C-N 3.3Å; Q816-I818 PolarHBondContact O-N 3.39Å; Q816-M819 PolarHBondContact O-N 3.24Å; Q816-M819 VanDerWaalsContact O-N 3.08Å; Q816-E820 HydrophobicContact CG-CG 4.31Å; Q816-E820 WeakPolarHBondContact CG-OE1 2.95Å; Q816-E820 PolarHBondContact NE2-OE1 3.35Å; Q816-E820 WeakPolarHBondContact O-CG 3.28Å; Q816-E820 PolarHBondContact O-N 3.39Å |
| 817 | A | 91.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | M425 F813 Q814 M819 E820 E821 | M425-A817 VanDerWaalsContact CE-C 3.49Å; M425-A817 HydrophobicContact CE-CB 4.16Å; M425-A817 WeakPolarHBondContact CE-O 3.37Å; M425-A817 HydrophobicContact SD-CB 4.07Å; F813-A817 WeakPolarHBondContact O-CB 3.4Å; F813-A817 PolarHBondContact O-N 3.43Å; Q814-A817 PolarHBondContact O-N 2.84Å; A817-M819 VanDerWaalsContact C-N 3.35Å; A817-M819 PolarHBondContact O-N 3.12Å; A817-E820 PolarHBondContact O-N 3.05Å; A817-E821 WeakPolarHBondContact O-CB 3.35Å; A817-E821 PolarHBondContact O-N 2.87Å |
| 818 | I | 90.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 176.2 | -63.8 | 166.1 | 0 | 0 | 0 | 111.1 | M425 L428 K429 Q814 I815 Q816 R822 | M425-I818 HydrophobicContact CE-CB 3.99Å; M425-I818 HydrophobicContact CE-CG1 3.46Å; M425-I818 VanDerWaalsContact CE-CG1 3.46Å; L428-I818 HydrophobicContact CB-CD1 4.27Å; K429-I818 HydrophobicContact CG-CG1 4.44Å; K429-I818 HydrophobicContact CG-CG2 4.21Å; Q814-I818 VanDerWaalsContact O-CG1 3.27Å; Q814-I818 WeakPolarHBondContact O-CG1 3.38Å; Q814-I818 PolarHBondContact O-N 3.42Å; I815-I818 PolarHBondContact O-N 3.21Å; Q816-I818 VanDerWaalsContact C-N 3.3Å; Q816-I818 PolarHBondContact O-N 3.39Å; I818-R822 WeakPolarHBondContact O-CG 3.12Å; I818-R822 PolarHBondContact O-N 3.41Å; I818-R822 VanDerWaalsContact O-N 3.1Å |
| 819 | M | 88.8 | Confident | 88.2 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 41% | 0.409 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 177.5 | -68.5 | -56.2 | 103.8 | 0 | 0 | 111.9 | I815 Q816 A817 E821 R822 V823 | I815-M819 WeakPolarHBondContact O-CG 3.12Å; I815-M819 PolarHBondContact O-N 3.23Å; Q816-M819 PolarHBondContact O-N 3.24Å; Q816-M819 VanDerWaalsContact O-N 3.08Å; A817-M819 VanDerWaalsContact C-N 3.35Å; A817-M819 PolarHBondContact O-N 3.12Å; M819-E821 VanDerWaalsContact C-N 3.28Å; M819-E821 PolarHBondContact O-N 3.44Å; M819-R822 WeakPolarHBondContact O-CB 3.37Å; M819-R822 PolarHBondContact O-N 2.89Å; M819-R822 VanDerWaalsContact O-N 3.15Å; M819-V823 WeakPolarHBondContact O-CG2 3.44Å; M819-V823 PolarHBondContact O-N 2.87Å |
| 820 | E | 87.8 | Confident | 86.9 | Confident | 92 Ų | 92 | 72.1 Ų | 72.1 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.1 | -44.4 | 175.9 | -74 | 178.3 | -172.9 | 0 | 0 | 111.2 | Q816 A817 V823 R824 | Q816-E820 HydrophobicContact CG-CG 4.31Å; Q816-E820 WeakPolarHBondContact CG-OE1 2.95Å; Q816-E820 PolarHBondContact NE2-OE1 3.35Å; Q816-E820 WeakPolarHBondContact O-CG 3.28Å; Q816-E820 PolarHBondContact O-N 3.39Å; A817-E820 PolarHBondContact O-N 3.05Å; E820-V823 PolarHBondContact O-N 3.49Å; E820-R824 WeakPolarHBondContact O-CB 3.2Å; E820-R824 PolarHBondContact O-N 3.25Å |
| 821 | E | 85.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 80 Ų | 80 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177.1 | -177.8 | 53.5 | -151.1 | 0 | 0 | 112.1 | M425 A817 M819 V823 R824 Q825 | M425-E821 HydrophobicContact CE-CB 4.26Å; M425-E821 HydrophobicContact CG-CG 4.46Å; A817-E821 WeakPolarHBondContact O-CB 3.35Å; A817-E821 PolarHBondContact O-N 2.87Å; M819-E821 VanDerWaalsContact C-N 3.28Å; M819-E821 PolarHBondContact O-N 3.44Å; E821-V823 PolarHBondContact O-N 2.87Å; E821-R824 WeakPolarHBondContact O-CB 3.25Å; E821-R824 PolarHBondContact O-N 3.02Å; E821-R824 IonicContact OE2-CZ 3.49Å; E821-R824 IonicContact OE2-NH1 3.55Å; E821-R824 PolarHBondContact OE2-NH1 3.47Å; E821-R824 VanDerWaalsContact OE2-NH1 3.08Å; E821-Q825 VanDerWaalsContact O-CG 3.29Å; E821-Q825 WeakPolarHBondContact O-CG 3.35Å; E821-Q825 PolarHBondContact O-N 3.38Å; E821-Q825 WeakPolarHBondContact OE1-CG 3.46Å; E821-Q825 PolarHBondContact OE1-NE2 3.36Å |
| 822 | R | 86.1 | Confident | 83.4 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.8 | -77.5 | 179.9 | -176.4 | -166.2 | -0.9 | 112.1 | I818 M819 R824 Q825 V826 | I818-R822 WeakPolarHBondContact O-CG 3.12Å; I818-R822 PolarHBondContact O-N 3.41Å; I818-R822 VanDerWaalsContact O-N 3.1Å; M819-R822 WeakPolarHBondContact O-CB 3.37Å; M819-R822 PolarHBondContact O-N 2.89Å; M819-R822 VanDerWaalsContact O-N 3.15Å; R822-R824 VanDerWaalsContact C-N 3.31Å; R822-R824 PolarHBondContact O-N 3.37Å; R822-Q825 PolarHBondContact O-N 3.28Å; R822-V826 WeakPolarHBondContact O-CG2 3.35Å; R822-V826 PolarHBondContact O-N 2.91Å |
| 823 | V | 85.5 | Confident | 81.6 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.2 | M819 E820 E821 Q825 V826 N827 | M819-V823 WeakPolarHBondContact O-CG2 3.44Å; M819-V823 PolarHBondContact O-N 2.87Å; E820-V823 PolarHBondContact O-N 3.49Å; E821-V823 PolarHBondContact O-N 2.87Å; V823-Q825 PolarHBondContact O-N 3.04Å; V823-V826 PolarHBondContact O-N 3.18Å; V823-N827 WeakPolarHBondContact O-CB 3.24Å; V823-N827 VanDerWaalsContact O-CG 3.27Å; V823-N827 PolarHBondContact O-N 3.02Å; V823-N827 PolarHBondContact O-ND2 3.18Å |
| 824 | R | 83.3 | Confident | 80.1 | Confident | 84 Ų | 84 | 80.2 Ų | 80.2 | 32% | 0.317 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 175.3 | -174.6 | -174.7 | -72.1 | 156.9 | -5.9 | 111.5 | K416 E820 E821 R822 V826 N827 Q828 | K416-R824 PolarHBondContact O-NH1 2.89Å; E820-R824 WeakPolarHBondContact O-CB 3.2Å; E820-R824 PolarHBondContact O-N 3.25Å; E821-R824 WeakPolarHBondContact O-CB 3.25Å; E821-R824 PolarHBondContact O-N 3.02Å; E821-R824 IonicContact OE2-CZ 3.49Å; E821-R824 IonicContact OE2-NH1 3.55Å; E821-R824 PolarHBondContact OE2-NH1 3.47Å; E821-R824 VanDerWaalsContact OE2-NH1 3.08Å; R822-R824 VanDerWaalsContact C-N 3.31Å; R822-R824 PolarHBondContact O-N 3.37Å; R824-V826 PolarHBondContact O-N 2.95Å; R824-N827 PolarHBondContact O-N 3.3Å; R824-Q828 HydrophobicContact CG-CG 4.46Å; R824-Q828 WeakPolarHBondContact O-CB 3.45Å; R824-Q828 WeakPolarHBondContact O-CG 3.42Å; R824-Q828 PolarHBondContact O-N 2.95Å |
| 825 | Q | 81.2 | Confident | 78.7 | Confident | 69 Ų | 69 | 86.3 Ų | 86.3 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.5 | -70.9 | 178.5 | 5.3 | 0 | 0 | 112.2 | E821 R822 V823 Q828 K829 | E821-Q825 VanDerWaalsContact O-CG 3.29Å; E821-Q825 WeakPolarHBondContact O-CG 3.35Å; E821-Q825 PolarHBondContact O-N 3.38Å; E821-Q825 WeakPolarHBondContact OE1-CG 3.46Å; E821-Q825 PolarHBondContact OE1-NE2 3.36Å; R822-Q825 PolarHBondContact O-N 3.28Å; V823-Q825 PolarHBondContact O-N 3.04Å; Q825-Q828 PolarHBondContact O-N 2.84Å; Q825-K829 WeakPolarHBondContact O-CB 3.38Å; Q825-K829 WeakPolarHBondContact O-CG 3.21Å; Q825-K829 PolarHBondContact O-N 3.48Å |
| 826 | V | 83.4 | Confident | 77.9 | Confident | 75 Ų | 75 | 85.8 Ų | 85.8 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | R822 V823 R824 K829 K830 | R822-V826 WeakPolarHBondContact O-CG2 3.35Å; R822-V826 PolarHBondContact O-N 2.91Å; V823-V826 PolarHBondContact O-N 3.18Å; R824-V826 PolarHBondContact O-N 2.95Å; V826-K829 PolarHBondContact O-N 3.29Å; V826-K830 HydrophobicContact CG1-CD 4.32Å; V826-K830 WeakPolarHBondContact O-CG 3.5Å; V826-K830 PolarHBondContact O-N 2.79Å |
| 827 | N | 79.3 | Confident | 77.4 | Confident | 77 Ų | 77 | 86 Ų | 86 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 178 | -72.1 | -19 | 0 | 0 | 0 | 112.4 | V823 R824 K830 K831 | V823-N827 WeakPolarHBondContact O-CB 3.24Å; V823-N827 VanDerWaalsContact O-CG 3.27Å; V823-N827 PolarHBondContact O-N 3.02Å; V823-N827 PolarHBondContact O-ND2 3.18Å; R824-N827 PolarHBondContact O-N 3.3Å; N827-K830 PolarHBondContact O-N 3.45Å; N827-K831 WeakPolarHBondContact O-CG 3.45Å; N827-K831 PolarHBondContact O-N 3.4Å |
| 828 | Q | 74.1 | Confident | 77.1 | Confident | 108 Ų | 108 | 86.9 Ų | 86.9 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 173.1 | -78.6 | 173.8 | -8.9 | 0 | 0 | 111.2 | R824 Q825 K830 K831 A832 | R824-Q828 HydrophobicContact CG-CG 4.46Å; R824-Q828 WeakPolarHBondContact O-CB 3.45Å; R824-Q828 WeakPolarHBondContact O-CG 3.42Å; R824-Q828 PolarHBondContact O-N 2.95Å; Q825-Q828 PolarHBondContact O-N 2.84Å; Q828-K830 VanDerWaalsContact C-N 3.33Å; Q828-K830 PolarHBondContact O-N 3.2Å; Q828-K831 CarbonylContact O-C 3.55Å; Q828-K831 PolarHBondContact O-N 3.26Å; Q828-K831 VanDerWaalsContact O-N 3.09Å; Q828-A832 VanDerWaalsContact O-CB 3.26Å; Q828-A832 WeakPolarHBondContact O-CB 3.46Å; Q828-A832 PolarHBondContact O-N 2.7Å |
| 829 | K | 72.9 | Confident | 76.9 | Confident | 150 Ų | 150 | 88.7 Ų | 88.7 | 65% | 0.652 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59 | -44.4 | 173.8 | -74 | -179.8 | -179.5 | -171.1 | 0 | 111.3 | Q825 V826 K831 A832 V833 | Q825-K829 WeakPolarHBondContact O-CB 3.38Å; Q825-K829 WeakPolarHBondContact O-CG 3.21Å; Q825-K829 PolarHBondContact O-N 3.48Å; V826-K829 PolarHBondContact O-N 3.29Å; K829-K831 VanDerWaalsContact C-N 3.3Å; K829-K831 PolarHBondContact O-N 3.07Å; K829-A832 PolarHBondContact O-N 2.8Å; K829-V833 VanDerWaalsContact O-CG2 3.31Å; K829-V833 WeakPolarHBondContact O-CG2 3.21Å; K829-V833 PolarHBondContact O-N 2.96Å; K829-V833 VanDerWaalsContact O-N 3.11Å |
| 830 | K | 68.7 | Low | 76.8 | Confident | 147 Ų | 147 | 85.9 Ų | 85.9 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.1 | -33.8 | 173.6 | -72.6 | 177.7 | 179.4 | -175.6 | 0 | 113.6 | V826 N827 Q828 | V826-K830 HydrophobicContact CG1-CD 4.32Å; V826-K830 WeakPolarHBondContact O-CG 3.5Å; V826-K830 PolarHBondContact O-N 2.79Å; N827-K830 PolarHBondContact O-N 3.45Å; Q828-K830 VanDerWaalsContact C-N 3.33Å; Q828-K830 PolarHBondContact O-N 3.2Å |
| 831 | K | 63.8 | Low | 76.9 | Confident | 174 Ų | 174 | 81.5 Ų | 81.5 | 76% | 0.757 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -79.8 | -26.2 | 174.8 | -74.4 | -179.5 | 178.9 | -172.9 | 0 | 113.5 | N827 Q828 K829 V833 | N827-K831 WeakPolarHBondContact O-CG 3.45Å; N827-K831 PolarHBondContact O-N 3.4Å; Q828-K831 CarbonylContact O-C 3.55Å; Q828-K831 PolarHBondContact O-N 3.26Å; Q828-K831 VanDerWaalsContact O-N 3.09Å; K829-K831 VanDerWaalsContact C-N 3.3Å; K829-K831 PolarHBondContact O-N 3.07Å; K831-V833 VanDerWaalsContact C-N 3.33Å |
| 832 | A | 55.8 | Low | 77.2 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -85.1 | -8.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q828 K829 K834 | Q828-A832 VanDerWaalsContact O-CB 3.26Å; Q828-A832 WeakPolarHBondContact O-CB 3.46Å; Q828-A832 PolarHBondContact O-N 2.7Å; K829-A832 PolarHBondContact O-N 2.8Å; A832-K834 PolarHBondContact O-N 3.4Å |
| 833 | V | 58.8 | Low | 77.6 | Confident | 76 Ų | 76 | 78.9 Ų | 78.9 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | trans | -64.4 | 87.9 | 162.4 | 170.2 | 0 | 0 | 0 | 0 | 106.7 | K829 K831 D835 | K829-V833 VanDerWaalsContact O-CG2 3.31Å; K829-V833 WeakPolarHBondContact O-CG2 3.21Å; K829-V833 PolarHBondContact O-N 2.96Å; K829-V833 VanDerWaalsContact O-N 3.11Å; K831-V833 VanDerWaalsContact C-N 3.33Å; V833-D835 HydrophobicContact CG1-CB 4.45Å; V833-D835 WeakPolarHBondContact CG1-OD1 3.28Å; V833-D835 WeakPolarHBondContact CG1-OD2 3.43Å; V833-D835 PolarHBondContact O-N 3.46Å | ||
| 834 | K | 63.8 | Low | 78 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -90.9 | 79.1 | 179.6 | -74.8 | 173.4 | 161.4 | -151.2 | 0 | 107.3 | A832 P945 V946 K947 | A832-K834 PolarHBondContact O-N 3.4Å; K834-P945 CarbonylContact C-O 3.5Å; K834-P945 VanDerWaalsContact CA-O 3.3Å; K834-P945 WeakPolarHBondContact CA-O 3.29Å; K834-V946 VanDerWaalsContact CD-O 3.31Å; K834-V946 WeakPolarHBondContact CD-O 3.39Å; K834-V946 WeakPolarHBondContact CE-O 3.49Å; K834-V946 PolarHBondContact NZ-O 3.17Å; K834-K947 HydrophobicContact CB-CG 3.76Å; K834-K947 HydrophobicContact CD-CG 3.61Å; K834-K947 HydrophobicContact CG-CG 4.36Å | ||
| 835 | D | 67 | Low | 78.4 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 70% | 0.695 | 37% | 0.372 | S | S | * | . | trans | -92.1 | -8.8 | -170.1 | -71.3 | -8.2 | 0 | 0 | 0 | 113.6 | V833 | V833-D835 HydrophobicContact CG1-CB 4.45Å; V833-D835 WeakPolarHBondContact CG1-OD1 3.28Å; V833-D835 WeakPolarHBondContact CG1-OD2 3.43Å; V833-D835 PolarHBondContact O-N 3.46Å | ||
| 836 | E | 76.8 | Confident | 78.8 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 131.3 | -179 | -63.1 | -68.6 | -178.8 | 0 | 0 | 110.4 | I930 N931 P945 | E836-I930 HydrophobicContact CB-CG2 4.5Å; E836-I930 HydrophobicContact CG-CG2 4.19Å; E836-N931 PolarHBondContact OE1-ND2 3.4Å; E836-N931 VanDerWaalsContact OE1-ND2 3.15Å; E836-N931 PolarHBondContact OE2-ND2 3.3Å; E836-P945 HydrophobicContact CG-CB 4.35Å; E836-P945 HydrophobicContact CG-CG 4.03Å; E836-P945 PolarHBondContact N-O 2.91Å |
| 837 | N | 81.1 | Confident | 78.9 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | trans | -68.1 | 134.2 | 178.3 | -174 | -44.1 | 0 | 0 | 0 | 109.6 | S839 S840 | N837-S839 PolarHBondContact O-N 3.08Å; N837-S839 VanDerWaalsContact O-N 3.07Å; N837-S839 WeakPolarHBondContact OD1-CB 3.25Å; N837-S839 PolarHBondContact OD1-N 2.8Å; N837-S839 PolarHBondContact OD1-OG 3.42Å; N837-S840 WeakPolarHBondContact O-CB 3.41Å; N837-S840 PolarHBondContact O-N 3.19Å; N837-S840 PolarHBondContact O-OG 2.75Å | ||
| 838 | P | 85.4 | Confident | 79.2 | Confident | 30 Ų | 30 | 65 Ų | 65 | 20% | 0.195 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -47.4 | -35.9 | 175.7 | -31.6 | 37.6 | 0 | 0 | 0 | 115.1 | S840 V841 G855 E856 V946 K947 | P838-S840 PolarHBondContact O-N 3.36Å; P838-V841 WeakPolarHBondContact O-CB 3.3Å; P838-V841 PolarHBondContact O-N 3.16Å; P838-V841 VanDerWaalsContact O-N 3.1Å; P838-G855 VanDerWaalsContact O-CA 3.24Å; P838-G855 WeakPolarHBondContact O-CA 3.23Å; P838-G855 PolarHBondContact O-N 2.86Å; P838-E856 HydrophobicContact CB-CG 4.13Å; P838-V946 HydrophobicContact CB-CG2 4.29Å; P838-V946 HydrophobicContact CG-CG2 3.95Å; P838-K947 VanDerWaalsContact CG-O 3.26Å; P838-K947 WeakPolarHBondContact CG-O 3.21Å |
| 839 | S | 85.7 | Confident | 79.8 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -61.7 | -25.9 | 177.2 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | N837 V841 E856 | N837-S839 PolarHBondContact O-N 3.08Å; N837-S839 VanDerWaalsContact O-N 3.07Å; N837-S839 WeakPolarHBondContact OD1-CB 3.25Å; N837-S839 PolarHBondContact OD1-N 2.8Å; N837-S839 PolarHBondContact OD1-OG 3.42Å; S839-V841 PolarHBondContact O-N 2.91Å; S839-E856 VanDerWaalsContact CB-OE1 3.29Å; S839-E856 WeakPolarHBondContact CB-OE1 3.48Å |
| 840 | S | 86.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.4 | -10.4 | 178.9 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | N837 P838 N931 | N837-S840 WeakPolarHBondContact O-CB 3.41Å; N837-S840 PolarHBondContact O-N 3.19Å; N837-S840 PolarHBondContact O-OG 2.75Å; P838-S840 PolarHBondContact O-N 3.36Å; S840-N931 WeakPolarHBondContact CB-OD1 3.18Å; S840-N931 PolarHBondContact O-N 2.97Å |
| 841 | V | 90.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.2 | -175.6 | -173 | 0 | 0 | 0 | 0 | 109.4 | P838 S839 F843 S854 G855 V928 D929 I930 V946 | P838-V841 WeakPolarHBondContact O-CB 3.3Å; P838-V841 PolarHBondContact O-N 3.16Å; P838-V841 VanDerWaalsContact O-N 3.1Å; S839-V841 PolarHBondContact O-N 2.91Å; V841-F843 HydrophobicContact CG1-CD2 4.42Å; V841-F843 HydrophobicContact CG1-CE2 3.62Å; V841-F843 HydrophobicContact CG1-CZ 3.72Å; V841-S854 CarbonylContact O-C 3.56Å; V841-G855 PolarHBondContact O-N 3.39Å; V841-V928 HydrophobicContact CG1-CG1 3.57Å; V841-D929 CarbonylContact C-O 3.55Å; V841-D929 WeakPolarHBondContact CA-O 3.45Å; V841-I930 HydrophobicContact CG1-CG1 4.37Å; V841-I930 HydrophobicContact CG2-CG1 4.32Å; V841-V946 HydrophobicContact CG2-CB 4.1Å; V841-V946 HydrophobicContact CG2-CG1 4.24Å; V841-V946 HydrophobicContact CG2-CG2 4.06Å |
| 842 | K | 92.6 | Very high | 83.1 | Confident | 103 Ų | 103 | 51 Ų | 51 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.3 | 177.9 | -65 | -178.4 | -179 | -176.2 | 0 | 110.8 | Y851 V928 D929 | K842-Y851 HydrophobicContact CB-CE2 4.02Å; K842-Y851 HydrophobicContact CD-CE2 4.16Å; K842-Y851 HydrophobicContact CG-CE2 4.11Å; K842-V928 WeakPolarHBondContact O-CA 3.42Å; K842-D929 HydrophobicContact CB-CB 4.3Å; K842-D929 PolarHBondContact N-O 2.76Å; K842-D929 PolarHBondContact O-N 3.24Å |
| 843 | F | 93.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.1 | 179.7 | -64 | -90.4 | 0 | 0 | 0 | 110.3 | V841 I852 C853 I858 V923 F926 V928 W941 L944 F948 | V841-F843 HydrophobicContact CG1-CD2 4.42Å; V841-F843 HydrophobicContact CG1-CE2 3.62Å; V841-F843 HydrophobicContact CG1-CZ 3.72Å; F843-I852 WeakPolarHBondContact O-CB 3.46Å; F843-I852 PolarHBondContact O-N 3.45Å; F843-C853 PolarHBondContact N-O 2.74Å; F843-C853 PolarHBondContact O-N 3.22Å; F843-I858 HydrophobicContact CD2-CG1 4.42Å; F843-I858 HydrophobicContact CE2-CG1 3.96Å; F843-V923 HydrophobicContact CE1-CG2 4.3Å; F843-F926 HydrophobicContact CB-CD1 4.07Å; F843-F926 HydrophobicContact CD1-CB 4.12Å; F843-F926 HydrophobicContact CD1-CG 4.34Å; F843-V928 HydrophobicContact CD1-CG2 3.9Å; F843-V928 HydrophobicContact CE1-CG1 4.14Å; F843-V928 HydrophobicContact CE1-CG2 3.71Å; F843-V928 HydrophobicContact CZ-CG1 4.39Å; F843-W941 AromaticContact CE1-CH2 3.89Å; F843-W941 HydrophobicContact CE1-CH2 3.89Å; F843-W941 AromaticContact CE1-CZ3 3.69Å; F843-W941 HydrophobicContact CE1-CZ3 3.69Å; F843-W941 HydrophobicContact CZ-CH2 4.08Å; F843-W941 AromaticContact CZ-CZ3 3.6Å; F843-W941 HydrophobicContact CZ-CZ3 3.6Å; F843-L944 HydrophobicContact CE1-CD1 4.19Å; F843-L944 HydrophobicContact CZ-CD1 4.11Å; F843-F948 HydrophobicContact CE2-CZ 4.5Å; F843-F948 HydrophobicContact CZ-CZ 4.09Å |
| 844 | S | 93.3 | Very high | 86.4 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149.3 | 173.1 | -69.8 | 0 | 0 | 0 | 0 | 110.6 | R846 K850 F926 V927 | S844-R846 PolarHBondContact O-N 2.98Å; S844-K850 CarbonylContact C-O 3.57Å; S844-K850 WeakPolarHBondContact CA-O 3.47Å; S844-F926 WeakPolarHBondContact O-CA 3.49Å; S844-V927 PolarHBondContact N-O 3.38Å; S844-V927 PolarHBondContact O-N 2.9Å |
| 845 | C | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 126.5 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 110 | H847 C848 T849 K850 I852 C903 W907 | C845-H847 PolarHBondContact O-N 3.38Å; C845-H847 VanDerWaalsContact O-N 3.16Å; C845-H847 PolarHBondContact SG-N 2.66Å; C845-H847 VanDerWaalsContact SG-N 3.36Å; C845-C848 VanDerWaalsContact SG-SG 3.68Å; C845-T849 VanDerWaalsContact O-CA 3.23Å; C845-T849 WeakPolarHBondContact O-CA 2.99Å; C845-T849 PolarHBondContact O-N 3.01Å; C845-K850 HydrophobicContact CB-CB 4.48Å; C845-K850 PolarHBondContact N-O 3.3Å; C845-I852 HydrophobicContact CB-CD1 3.86Å; C845-I852 HydrophobicContact CB-CG1 4.48Å; C845-I852 VanDerWaalsContact N-CD1 3.34Å; C845-C903 VanDerWaalsContact SG-SG 3.65Å; C845-W907 HydrophobicContact CB-CZ2 4.05Å; C845-W907 PolarHBondContact SG-NE1 3.37Å; C845-W907 VanDerWaalsContact SG-NE1 3.39Å |
| 846 | R | 89.8 | Confident | 88.7 | Confident | 34 Ų | 34 | 42 Ų | 42 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.7 | 175.2 | -174 | -176.7 | -170.3 | 103.6 | 10 | 112.7 | E545 A549 R557 S844 K924 N925 V927 S936 | E545-R846 VanDerWaalsContact CD-NH2 3.29Å; E545-R846 IonicContact OE1-CZ 2.79Å; E545-R846 VanDerWaalsContact OE1-CZ 3.31Å; E545-R846 IonicContact OE1-NE 3.52Å; E545-R846 PolarHBondContact OE1-NE 2.93Å; E545-R846 IonicContact OE1-NH2 2.66Å; E545-R846 PolarHBondContact OE1-NH2 2.94Å; E545-R846 IonicContact OE2-CZ 3.62Å; E545-R846 IonicContact OE2-NH2 3.41Å; E545-R846 PolarHBondContact OE2-NH2 2.99Å; A549-R846 HydrophobicContact CB-CG 4.23Å; R557-R846 VanDerWaalsContact CD-O 3.26Å; R557-R846 WeakPolarHBondContact CD-O 3.29Å; R557-R846 PolarHBondContact NE-O 3.34Å; R557-R846 VanDerWaalsContact NE-O 3.08Å; S844-R846 PolarHBondContact O-N 2.98Å; R846-K924 PolarHBondContact NH1-O 3.24Å; R846-K924 VanDerWaalsContact NH1-O 3.11Å; R846-N925 WeakPolarHBondContact CB-O 3.32Å; R846-N925 PolarHBondContact N-O 3.23Å; R846-V927 HydrophobicContact CB-CG2 4.46Å; R846-V927 HydrophobicContact CG-CG2 4.45Å; R846-S936 PolarHBondContact NH1-O 3.08Å; R846-S936 PolarHBondContact NH2-O 3.41Å |
| 847 | H | 85 | Confident | 89.4 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -57.6 | -173.9 | -170.8 | 107.1 | 0 | 0 | 0 | 113.7 | Q554 R557 E611 C845 Q905 | Q554-H847 PolarHBondContact NE2-NE2 3.01Å; R557-H847 PolarHBondContact NE-O 3.06Å; R557-H847 PolarHBondContact NH1-ND1 3.05Å; R557-H847 VanDerWaalsContact NH2-C 3.34Å; R557-H847 PolarHBondContact NH2-CD2 3.36Å; R557-H847 PolarHBondContact NH2-CE1 2.75Å; R557-H847 VanDerWaalsContact NH2-CE1 3.26Å; R557-H847 PolarHBondContact NH2-ND1 3.21Å; R557-H847 PolarHBondContact NH2-NE2 3.38Å; R557-H847 PolarHBondContact NH2-O 3.44Å; E611-H847 IonicContact OE1-CE1 2.75Å; E611-H847 IonicContact OE1-NE2 2.96Å; C845-H847 PolarHBondContact O-N 3.38Å; C845-H847 VanDerWaalsContact O-N 3.16Å; C845-H847 PolarHBondContact SG-N 2.66Å; C845-H847 VanDerWaalsContact SG-N 3.36Å; H847-Q905 HydrophobicContact CB-CB 3.55Å; H847-Q905 HydrophobicContact CB-CG 3.8Å |
| 848 | C | 85.8 | Confident | 89.9 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 3.8 | -175.3 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | C845 K850 C903 | C845-C848 VanDerWaalsContact SG-SG 3.68Å; C848-K850 PolarHBondContact O-N 3.05Å; C848-K850 WeakPolarHBondContact SG-CB 3.49Å; C848-C903 HydrophobicContact CB-CB 3.75Å |
| 849 | T | 87.4 | Confident | 90.2 | Very high | 71 Ų | 71 | 36.8 Ų | 36.8 | 44% | 0.436 | 19% | 0.186 | S | C | . | . | trans | 62.6 | -3.1 | -177.9 | 74.6 | 0 | 0 | 0 | 0 | 116.2 | C845 Y851 | C845-T849 VanDerWaalsContact O-CA 3.23Å; C845-T849 WeakPolarHBondContact O-CA 2.99Å; C845-T849 PolarHBondContact O-N 3.01Å; T849-Y851 PolarHBondContact O-N 3.46Å | ||
| 850 | K | 89.9 | Confident | 90.3 | Very high | 85 Ų | 85 | 35.4 Ų | 35.4 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | trans | -49.3 | 128.9 | 175.2 | -172.6 | 177.7 | -179 | -178.1 | 0 | 110 | S844 C845 C848 | S844-K850 CarbonylContact C-O 3.57Å; S844-K850 WeakPolarHBondContact CA-O 3.47Å; C845-K850 HydrophobicContact CB-CB 4.48Å; C845-K850 PolarHBondContact N-O 3.3Å; C848-K850 PolarHBondContact O-N 3.05Å; C848-K850 WeakPolarHBondContact SG-CB 3.49Å | ||
| 851 | Y | 92.2 | Very high | 90.1 | Very high | 119 Ų | 119 | 34.4 Ų | 34.4 | 47% | 0.467 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 137.5 | 172.2 | 174.9 | -98.9 | 0 | 0 | 0 | 110.1 | K842 T849 C853 S854 | K842-Y851 HydrophobicContact CB-CE2 4.02Å; K842-Y851 HydrophobicContact CD-CE2 4.16Å; K842-Y851 HydrophobicContact CG-CE2 4.11Å; T849-Y851 PolarHBondContact O-N 3.46Å; Y851-C853 VanDerWaalsContact OH-C 3.31Å; Y851-S854 PolarHBondContact OH-N 3.27Å |
| 852 | I | 91.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -62.3 | -174.6 | -60.1 | 173.7 | 0 | 0 | 0 | 110.4 | F843 C845 F873 L876 W907 F926 | F843-I852 WeakPolarHBondContact O-CB 3.46Å; F843-I852 PolarHBondContact O-N 3.45Å; C845-I852 HydrophobicContact CB-CD1 3.86Å; C845-I852 HydrophobicContact CB-CG1 4.48Å; C845-I852 VanDerWaalsContact N-CD1 3.34Å; I852-F873 HydrophobicContact CG2-CD2 3.72Å; I852-F873 HydrophobicContact CG2-CE2 3.45Å; I852-F873 VanDerWaalsContact CG2-CE2 3.45Å; I852-L876 HydrophobicContact CG2-CD1 4.4Å; I852-L876 WeakPolarHBondContact O-CD1 3.26Å; I852-W907 HydrophobicContact CD1-CD2 4.07Å; I852-W907 VanDerWaalsContact CD1-CE2 3.44Å; I852-W907 HydrophobicContact CD1-CE3 4.39Å; I852-W907 HydrophobicContact CD1-CH2 3.61Å; I852-W907 HydrophobicContact CD1-CZ2 3.19Å; I852-W907 HydrophobicContact CD1-CZ3 4.19Å; I852-W907 HydrophobicContact CG1-CH2 3.79Å; I852-W907 HydrophobicContact CG1-CZ2 3.78Å; I852-W907 HydrophobicContact CG1-CZ3 4.48Å; I852-W907 HydrophobicContact CG2-CH2 4.29Å; I852-W907 HydrophobicContact CG2-CZ3 4.19Å; I852-F926 HydrophobicContact CD1-CD1 3.59Å; I852-F926 HydrophobicContact CD1-CE1 3.31Å; I852-F926 HydrophobicContact CD1-CZ 4.48Å; I852-F926 HydrophobicContact CG1-CE1 4.5Å; I852-F926 HydrophobicContact CG2-CE1 4.32Å |
| 853 | C | 92 | Very high | 88.7 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 163.7 | -174.9 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | F843 Y851 D857 N868 | F843-C853 PolarHBondContact N-O 2.74Å; F843-C853 PolarHBondContact O-N 3.22Å; Y851-C853 VanDerWaalsContact OH-C 3.31Å; C853-D857 HydrophobicContact CB-CB 4Å; C853-D857 WeakPolarHBondContact CB-OD2 3.26Å; C853-N868 WeakPolarHBondContact CB-ND2 3.37Å |
| 854 | S | 92.3 | Very high | 87.9 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 162.6 | 168 | -178 | 0 | 0 | 0 | 0 | 109.8 | V841 Y851 E856 D857 | V841-S854 CarbonylContact O-C 3.56Å; Y851-S854 PolarHBondContact OH-N 3.27Å; S854-E856 PolarHBondContact O-N 3.29Å; S854-E856 PolarHBondContact OG-N 3.31Å; S854-D857 PolarHBondContact N-OD2 3.47Å; S854-D857 PolarHBondContact O-N 2.87Å |
| 855 | G | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -65.7 | -21.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | P838 V841 D857 I858 F948 | P838-G855 VanDerWaalsContact O-CA 3.24Å; P838-G855 WeakPolarHBondContact O-CA 3.23Å; P838-G855 PolarHBondContact O-N 2.86Å; V841-G855 PolarHBondContact O-N 3.39Å; G855-D857 PolarHBondContact O-N 3.16Å; G855-I858 PolarHBondContact O-N 3.09Å; G855-F948 VanDerWaalsContact O-CD1 3.24Å; G855-F948 WeakPolarHBondContact O-CD1 3.47Å; G855-F948 WeakPolarHBondContact O-CE1 3.32Å |
| 856 | E | 89.8 | Confident | 87.5 | Confident | 115 Ų | 115 | 51.3 Ų | 51.3 | 54% | 0.537 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -65.8 | -28.4 | 173 | -67.6 | 174 | 145.7 | 0 | 0 | 112.7 | P838 S839 S854 I858 | P838-E856 HydrophobicContact CB-CG 4.13Å; S839-E856 VanDerWaalsContact CB-OE1 3.29Å; S839-E856 WeakPolarHBondContact CB-OE1 3.48Å; S854-E856 PolarHBondContact O-N 3.29Å; S854-E856 PolarHBondContact OG-N 3.31Å; E856-I858 PolarHBondContact O-N 2.92Å |
| 857 | D | 91.1 | Very high | 87.6 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -79.9 | -7.4 | -179.6 | -51.4 | -42.1 | 0 | 0 | 0 | 112.4 | C853 S854 G855 N868 T870 | C853-D857 HydrophobicContact CB-CB 4Å; C853-D857 WeakPolarHBondContact CB-OD2 3.26Å; S854-D857 PolarHBondContact N-OD2 3.47Å; S854-D857 PolarHBondContact O-N 2.87Å; G855-D857 PolarHBondContact O-N 3.16Å; D857-N868 WeakPolarHBondContact CB-ND2 3.39Å; D857-N868 WeakPolarHBondContact O-CA 3.03Å; D857-T870 HydrophobicContact CB-CG2 3.93Å |
| 858 | I | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -92.8 | 124.3 | -178.8 | -56.8 | -56.6 | 0 | 0 | 0 | 109.5 | F843 G855 E856 R866 V867 N868 L921 W941 F948 P949 | F843-I858 HydrophobicContact CD2-CG1 4.42Å; F843-I858 HydrophobicContact CE2-CG1 3.96Å; G855-I858 PolarHBondContact O-N 3.09Å; E856-I858 PolarHBondContact O-N 2.92Å; I858-R866 HydrophobicContact CG2-CB 4Å; I858-R866 HydrophobicContact CG2-CG 4.05Å; I858-V867 WeakPolarHBondContact CA-O 3.39Å; I858-N868 HydrophobicContact CD1-CB 4.21Å; I858-L921 HydrophobicContact CD1-CD1 3.72Å; I858-W941 HydrophobicContact CD1-CH2 4.4Å; I858-W941 HydrophobicContact CG2-CH2 4.38Å; I858-W941 HydrophobicContact CG2-CZ3 4.31Å; I858-F948 HydrophobicContact CB-CD1 3.66Å; I858-F948 HydrophobicContact CB-CE1 3.9Å; I858-F948 HydrophobicContact CB-CG 4.11Å; I858-F948 HydrophobicContact CG1-CD1 4.48Å; I858-F948 HydrophobicContact CG1-CE1 4.23Å; I858-F948 HydrophobicContact CG2-CB 4.24Å; I858-F948 HydrophobicContact CG2-CD1 3.86Å; I858-F948 HydrophobicContact CG2-CD2 4.07Å; I858-F948 HydrophobicContact CG2-CE1 4.17Å; I858-F948 HydrophobicContact CG2-CE2 4.37Å; I858-F948 HydrophobicContact CG2-CG 3.79Å; I858-F948 HydrophobicContact CG2-CZ 4.4Å; I858-P949 WeakPolarHBondContact O-CD 3.49Å | ||
| 859 | Q | 91.2 | Very high | 87.8 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 156.6 | 175.4 | -65.2 | -178.7 | -10.1 | 0 | 0 | 111.1 | R866 V867 P949 F951 | Q859-R866 WeakPolarHBondContact O-CA 3.29Å; Q859-V867 HydrophobicContact CB-CG2 4.16Å; Q859-V867 PolarHBondContact N-O 2.97Å; Q859-V867 PolarHBondContact O-N 3.29Å; Q859-P949 CarbonylContact C-O 3.55Å; Q859-P949 WeakPolarHBondContact CA-O 3.21Å; Q859-P949 HydrophobicContact CG-CG 4.29Å; Q859-F951 HydrophobicContact CB-CB 4.11Å; Q859-F951 HydrophobicContact CB-CD2 4.23Å |
| 860 | I | 88.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.5 | -176.9 | -54.4 | 180 | 0 | 0 | 0 | 111.1 | N863 H865 F948 P949 F951 | I860-N863 VanDerWaalsContact CG2-CA 3.43Å; I860-H865 CarbonylContact C-O 3.58Å; I860-H865 WeakPolarHBondContact CA-O 3.35Å; I860-F948 HydrophobicContact CD1-CB 3.85Å; I860-F948 WeakPolarHBondContact CD1-O 3.43Å; I860-F948 HydrophobicContact CG1-CB 3.79Å; I860-P949 PolarHBondContact N-O 3.41Å; I860-F951 WeakPolarHBondContact O-CB 3.39Å; I860-F951 PolarHBondContact O-N 3.16Å |
| 861 | I | 82.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 169.5 | -63 | 171.6 | 0 | 0 | 0 | 108.8 | N863 M864 H865 V867 M911 Y913 L918 F951 | I861-N863 PolarHBondContact O-N 3.36Å; I861-N863 VanDerWaalsContact O-N 3.1Å; I861-M864 PolarHBondContact O-N 3.11Å; I861-H865 HydrophobicContact CB-CB 4.24Å; I861-H865 PolarHBondContact N-O 3.13Å; I861-H865 PolarHBondContact O-N 3.39Å; I861-V867 HydrophobicContact CD1-CG1 3.81Å; I861-V867 HydrophobicContact CD1-CG2 3.92Å; I861-V867 HydrophobicContact CG1-CG2 4.21Å; I861-M911 HydrophobicContact CD1-CE 4.28Å; I861-M911 HydrophobicContact CD1-SD 4.34Å; I861-M911 HydrophobicContact CG2-CE 4.36Å; I861-Y913 HydrophobicContact CD1-CD1 4.05Å; I861-Y913 HydrophobicContact CD1-CG 4.23Å; I861-Y913 HydrophobicContact CG2-CD1 4.24Å; I861-Y913 HydrophobicContact CG2-CD2 3.72Å; I861-Y913 HydrophobicContact CG2-CE1 4.12Å; I861-Y913 HydrophobicContact CG2-CE2 3.59Å; I861-Y913 HydrophobicContact CG2-CG 4.05Å; I861-L918 HydrophobicContact CD1-CD1 3.39Å; I861-F951 HydrophobicContact CD1-CB 4.34Å; I861-F951 HydrophobicContact CD1-CD1 4.02Å; I861-F951 HydrophobicContact CD1-CD2 4.42Å; I861-F951 HydrophobicContact CD1-CE1 4.49Å; I861-F951 HydrophobicContact CD1-CG 3.99Å; I861-F951 HydrophobicContact CG1-CB 3.49Å; I861-F951 VanDerWaalsContact CG1-CB 3.49Å; I861-F951 HydrophobicContact CG1-CD1 3.89Å; I861-F951 HydrophobicContact CG1-CD2 4.42Å; I861-F951 HydrophobicContact CG1-CG 3.68Å |
| 862 | E | 78.9 | Confident | 87.3 | Confident | 128 Ų | 128 | 52.4 Ų | 52.4 | 60% | 0.598 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 35.5 | 177.1 | -62.3 | -63.5 | 160.3 | 0 | 0 | 113.3 | M864 Y913 | E862-M864 WeakPolarHBondContact O-CG 3.48Å; E862-M864 PolarHBondContact O-N 2.67Å; E862-Y913 HydrophobicContact CG-CE2 4.38Å |
| 863 | N | 74.4 | Confident | 87.1 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 66% | 0.658 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 6.1 | -175.8 | -72.8 | -50.2 | 0 | 0 | 0 | 116.1 | I860 I861 R866 | I860-N863 VanDerWaalsContact CG2-CA 3.43Å; I861-N863 PolarHBondContact O-N 3.36Å; I861-N863 VanDerWaalsContact O-N 3.1Å; N863-R866 PolarHBondContact O-NH2 3.11Å; N863-R866 VanDerWaalsContact O-NH2 3.13Å |
| 864 | M | 77.3 | Confident | 86.8 | Confident | 130 Ų | 130 | 60.7 Ų | 60.7 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | -46.8 | -167.3 | -73.6 | -173.3 | 61.2 | 0 | 0 | 113.8 | I861 E862 R866 | I861-M864 PolarHBondContact O-N 3.11Å; E862-M864 WeakPolarHBondContact O-CG 3.48Å; E862-M864 PolarHBondContact O-N 2.67Å; M864-R866 WeakPolarHBondContact O-CD 3.15Å; M864-R866 PolarHBondContact O-NH1 3.49Å |
| 865 | H | 85.3 | Confident | 86.6 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.5 | -173.6 | -60.8 | -81.2 | 0 | 0 | 0 | 109.5 | I860 I861 M911 | I860-H865 CarbonylContact C-O 3.58Å; I860-H865 WeakPolarHBondContact CA-O 3.35Å; I861-H865 HydrophobicContact CB-CB 4.24Å; I861-H865 PolarHBondContact N-O 3.13Å; I861-H865 PolarHBondContact O-N 3.39Å; H865-M911 HydrophobicContact CB-CE 4.07Å; H865-M911 HydrophobicContact CB-SD 3.83Å |
| 866 | R | 91.1 | Very high | 86.6 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.2 | -178.4 | -79.9 | 74.8 | -173.1 | -177 | 13.8 | 107.7 | I858 Q859 N863 M864 L921 W941 | I858-R866 HydrophobicContact CG2-CB 4Å; I858-R866 HydrophobicContact CG2-CG 4.05Å; Q859-R866 WeakPolarHBondContact O-CA 3.29Å; N863-R866 PolarHBondContact O-NH2 3.11Å; N863-R866 VanDerWaalsContact O-NH2 3.13Å; M864-R866 WeakPolarHBondContact O-CD 3.15Å; M864-R866 PolarHBondContact O-NH1 3.49Å; R866-L921 PolarHBondContact O-N 2.96Å; R866-W941 HydrophobicContact CB-CD2 4.03Å; R866-W941 HydrophobicContact CB-CH2 4.19Å; R866-W941 HydrophobicContact CB-CZ2 3.68Å; R866-W941 HydrophobicContact CG-CD2 3.66Å; R866-W941 HydrophobicContact CG-CE3 4.03Å; R866-W941 HydrophobicContact CG-CG 3.92Å; R866-W941 HydrophobicContact CG-CZ2 4.23Å; R866-W941 HydrophobicContact CG-CZ3 4.44Å |
| 867 | V | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 154.6 | -173.6 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | I858 Q859 I861 V869 M911 L918 P919 C920 F951 | I858-V867 WeakPolarHBondContact CA-O 3.39Å; Q859-V867 HydrophobicContact CB-CG2 4.16Å; Q859-V867 PolarHBondContact N-O 2.97Å; Q859-V867 PolarHBondContact O-N 3.29Å; I861-V867 HydrophobicContact CD1-CG1 3.81Å; I861-V867 HydrophobicContact CD1-CG2 3.92Å; I861-V867 HydrophobicContact CG1-CG2 4.21Å; V867-V869 HydrophobicContact CB-CG1 4.4Å; V867-V869 HydrophobicContact CG2-CG1 4.18Å; V867-M911 HydrophobicContact CG1-SD 3.78Å; V867-L918 HydrophobicContact CG1-CB 4.25Å; V867-P919 VanDerWaalsContact CA-O 3.31Å; V867-P919 WeakPolarHBondContact CA-O 3.37Å; V867-C920 HydrophobicContact CG1-CB 4.45Å; V867-F951 HydrophobicContact CG2-CD2 3.87Å; V867-F951 HydrophobicContact CG2-CE2 4.49Å |
| 868 | N | 91.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -128.1 | 110.5 | 168.3 | -178.5 | -24.5 | 0 | 0 | 0 | 109.2 | C853 D857 I858 T870 F873 P919 L921 | C853-N868 WeakPolarHBondContact CB-ND2 3.37Å; D857-N868 WeakPolarHBondContact CB-ND2 3.39Å; D857-N868 WeakPolarHBondContact O-CA 3.03Å; I858-N868 HydrophobicContact CD1-CB 4.21Å; N868-T870 WeakPolarHBondContact OD1-CB 3.21Å; N868-T870 WeakPolarHBondContact OD1-CG2 2.99Å; N868-T870 PolarHBondContact OD1-N 3.45Å; N868-T870 PolarHBondContact OD1-OG1 3.35Å; N868-F873 HydrophobicContact CB-CD1 3.92Å; N868-F873 HydrophobicContact CB-CD2 4.37Å; N868-F873 HydrophobicContact CB-CE1 4.27Å; N868-F873 HydrophobicContact CB-CG 4Å; N868-F873 WeakPolarHBondContact O-CD1 3.36Å; N868-F873 WeakPolarHBondContact OD1-CB 3.37Å; N868-P919 PolarHBondContact N-O 3.33Å; N868-P919 WeakPolarHBondContact O-CG 3.15Å; N868-L921 HydrophobicContact CB-CD1 4.12Å | ||
| 869 | V | 85.3 | Confident | 86.1 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | trans | -106.9 | 12.4 | -172.1 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | V867 L918 F951 | V867-V869 HydrophobicContact CB-CG1 4.4Å; V867-V869 HydrophobicContact CG2-CG1 4.18Å; V869-L918 HydrophobicContact CG1-CD2 3.7Å; V869-F951 HydrophobicContact CB-CE2 4.38Å; V869-F951 HydrophobicContact CG1-CD2 4.41Å; V869-F951 HydrophobicContact CG1-CE2 3.74Å; V869-F951 HydrophobicContact CG2-CE2 3.96Å | ||
| 870 | T | 87 | Confident | 85.4 | Confident | 36 Ų | 36 | 69.5 Ų | 69.5 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | trans | -67.4 | 143.5 | 179.8 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | D857 N868 Q872 F873 R874 | D857-T870 HydrophobicContact CB-CG2 3.93Å; N868-T870 WeakPolarHBondContact OD1-CB 3.21Å; N868-T870 WeakPolarHBondContact OD1-CG2 2.99Å; N868-T870 PolarHBondContact OD1-N 3.45Å; N868-T870 PolarHBondContact OD1-OG1 3.35Å; T870-Q872 PolarHBondContact O-N 3.18Å; T870-F873 WeakPolarHBondContact O-CB 3.33Å; T870-F873 PolarHBondContact O-N 2.83Å; T870-F873 WeakPolarHBondContact OG1-CB 3.4Å; T870-F873 PolarHBondContact OG1-N 2.99Å; T870-R874 PolarHBondContact O-N 2.89Å | ||
| 871 | Q | 84.2 | Confident | 84.6 | Confident | 160 Ų | 160 | 74.9 Ų | 74.9 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.6 | -32.5 | 178 | -70.1 | -174.1 | -3.8 | 0 | 0 | 112.3 | F873 R874 | Q871-F873 VanDerWaalsContact C-N 3.31Å; Q871-F873 PolarHBondContact O-N 3.36Å; Q871-R874 PolarHBondContact O-N 3.22Å |
| 872 | Q | 86.3 | Confident | 83.8 | Confident | 140 Ų | 140 | 76.7 Ų | 76.7 | 65% | 0.654 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 175.4 | -60.5 | 96.3 | -8.3 | 0 | 0 | 111.3 | T870 R874 K875 | T870-Q872 PolarHBondContact O-N 3.18Å; Q872-R874 VanDerWaalsContact C-N 3.33Å; Q872-R874 PolarHBondContact O-N 2.99Å; Q872-K875 PolarHBondContact O-N 3.4Å |
| 873 | F | 89.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.7 | -35.1 | -178.8 | -177.9 | -102.7 | 0 | 0 | 0 | 112.7 | I852 N868 T870 Q871 K875 L876 F877 W907 P919 L921 | I852-F873 HydrophobicContact CG2-CD2 3.72Å; I852-F873 HydrophobicContact CG2-CE2 3.45Å; I852-F873 VanDerWaalsContact CG2-CE2 3.45Å; N868-F873 HydrophobicContact CB-CD1 3.92Å; N868-F873 HydrophobicContact CB-CD2 4.37Å; N868-F873 HydrophobicContact CB-CE1 4.27Å; N868-F873 HydrophobicContact CB-CG 4Å; N868-F873 WeakPolarHBondContact O-CD1 3.36Å; N868-F873 WeakPolarHBondContact OD1-CB 3.37Å; T870-F873 WeakPolarHBondContact O-CB 3.33Å; T870-F873 PolarHBondContact O-N 2.83Å; T870-F873 WeakPolarHBondContact OG1-CB 3.4Å; T870-F873 PolarHBondContact OG1-N 2.99Å; Q871-F873 VanDerWaalsContact C-N 3.31Å; Q871-F873 PolarHBondContact O-N 3.36Å; F873-K875 PolarHBondContact O-N 3.35Å; F873-K875 VanDerWaalsContact O-N 3.11Å; F873-L876 HydrophobicContact CD2-CD1 4.48Å; F873-L876 WeakPolarHBondContact O-CB 3.47Å; F873-L876 PolarHBondContact O-N 3.03Å; F873-F877 AromaticContact CD1-CD1 3.8Å; F873-F877 HydrophobicContact CD1-CD1 3.8Å; F873-F877 AromaticContact CD1-CE1 3.76Å; F873-F877 HydrophobicContact CD1-CE1 3.76Å; F873-F877 AromaticContact CE1-CD1 3.4Å; F873-F877 HydrophobicContact CE1-CD1 3.4Å; F873-F877 VanDerWaalsContact CE1-CD1 3.4Å; F873-F877 AromaticContact CE1-CE1 3.56Å; F873-F877 HydrophobicContact CE1-CE1 3.56Å; F873-F877 HydrophobicContact CE1-CG 4.47Å; F873-F877 AromaticContact CZ-CD1 3.86Å; F873-F877 HydrophobicContact CZ-CD1 3.86Å; F873-F877 HydrophobicContact CZ-CE1 4.45Å; F873-F877 WeakPolarHBondContact O-CD1 3.26Å; F873-W907 HydrophobicContact CE2-CE3 4.1Å; F873-W907 AromaticContact CE2-CZ3 3.95Å; F873-W907 HydrophobicContact CE2-CZ3 3.95Å; F873-W907 HydrophobicContact CZ-CE3 4.12Å; F873-W907 HydrophobicContact CZ-CZ3 4.3Å; F873-P919 HydrophobicContact CD1-CG 3.98Å; F873-P919 HydrophobicContact CE1-CB 3.78Å; F873-P919 HydrophobicContact CE1-CG 3.73Å; F873-L921 HydrophobicContact CE1-CD2 4.35Å; F873-L921 HydrophobicContact CE2-CD2 4.41Å; F873-L921 HydrophobicContact CZ-CD2 3.67Å |
| 874 | R | 85.4 | Confident | 81.7 | Confident | 182 Ų | 182 | 72 Ų | 72 | 69% | 0.687 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.4 | -28.2 | 176.4 | -168.2 | 172.2 | 179 | 174 | -2.3 | 113.5 | T870 Q871 Q872 L876 | T870-R874 PolarHBondContact O-N 2.89Å; Q871-R874 PolarHBondContact O-N 3.22Å; Q872-R874 VanDerWaalsContact C-N 3.33Å; Q872-R874 PolarHBondContact O-N 2.99Å; R874-L876 VanDerWaalsContact C-N 3.35Å |
| 875 | K | 87.1 | Confident | 80.5 | Confident | 175 Ų | 175 | 68 Ų | 68 | 76% | 0.761 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.9 | 177.7 | -57.7 | -178.8 | -177.6 | -178.3 | 0 | 113.6 | Q872 F873 | Q872-K875 PolarHBondContact O-N 3.4Å; F873-K875 PolarHBondContact O-N 3.35Å; F873-K875 VanDerWaalsContact O-N 3.11Å |
| 876 | L | 89.1 | Confident | 78.8 | Confident | 32 Ų | 32 | 70.8 Ų | 70.8 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -11.4 | -173.4 | -61.5 | -180 | 0 | 0 | 0 | 113.6 | I852 F873 R874 S901 W907 | I852-L876 HydrophobicContact CG2-CD1 4.4Å; I852-L876 WeakPolarHBondContact O-CD1 3.26Å; F873-L876 HydrophobicContact CD2-CD1 4.48Å; F873-L876 WeakPolarHBondContact O-CB 3.47Å; F873-L876 PolarHBondContact O-N 3.03Å; R874-L876 VanDerWaalsContact C-N 3.35Å; L876-S901 PolarHBondContact O-N 3.05Å; L876-S901 PolarHBondContact O-OG 3.44Å; L876-S901 VanDerWaalsContact O-OG 3.04Å; L876-W907 HydrophobicContact CB-CH2 4.21Å; L876-W907 HydrophobicContact CB-CZ3 4.15Å; L876-W907 WeakPolarHBondContact O-CH2 3.4Å; L876-W907 VanDerWaalsContact O-CZ3 3.29Å; L876-W907 WeakPolarHBondContact O-CZ3 3.13Å |
| 877 | F | 90.1 | Very high | 76.6 | Confident | 31 Ų | 31 | 76.1 Ų | 76.1 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.8 | -179.9 | 76.1 | -99.6 | 0 | 0 | 0 | 112.6 | F873 I898 A899 W907 M910 P919 | F873-F877 AromaticContact CD1-CD1 3.8Å; F873-F877 HydrophobicContact CD1-CD1 3.8Å; F873-F877 AromaticContact CD1-CE1 3.76Å; F873-F877 HydrophobicContact CD1-CE1 3.76Å; F873-F877 AromaticContact CE1-CD1 3.4Å; F873-F877 HydrophobicContact CE1-CD1 3.4Å; F873-F877 VanDerWaalsContact CE1-CD1 3.4Å; F873-F877 AromaticContact CE1-CE1 3.56Å; F873-F877 HydrophobicContact CE1-CE1 3.56Å; F873-F877 HydrophobicContact CE1-CG 4.47Å; F873-F877 AromaticContact CZ-CD1 3.86Å; F873-F877 HydrophobicContact CZ-CD1 3.86Å; F873-F877 HydrophobicContact CZ-CE1 4.45Å; F873-F877 WeakPolarHBondContact O-CD1 3.26Å; F877-I898 HydrophobicContact CB-CG2 3.44Å; F877-I898 VanDerWaalsContact CB-CG2 3.44Å; F877-I898 HydrophobicContact CD1-CG2 4.18Å; F877-I898 HydrophobicContact CD2-CB 4.41Å; F877-I898 HydrophobicContact CD2-CG1 4.32Å; F877-I898 HydrophobicContact CD2-CG2 3.59Å; F877-I898 HydrophobicContact CE2-CG1 4.35Å; F877-I898 HydrophobicContact CE2-CG2 4.32Å; F877-I898 HydrophobicContact CG-CG2 3.49Å; F877-I898 VanDerWaalsContact CG-CG2 3.49Å; F877-A899 CarbonylContact C-O 3.58Å; F877-A899 WeakPolarHBondContact CA-O 3.15Å; F877-A899 WeakPolarHBondContact CB-O 3.36Å; F877-W907 HydrophobicContact CB-CE3 4.08Å; F877-W907 HydrophobicContact CB-CZ3 3.95Å; F877-M910 HydrophobicContact CE2-SD 4.13Å; F877-M910 HydrophobicContact CZ-SD 4.33Å; F877-P919 HydrophobicContact CE1-CB 4.11Å; F877-P919 HydrophobicContact CE1-CG 4.28Å; F877-P919 HydrophobicContact CZ-CB 4.15Å |
| 878 | I | 87.8 | Confident | 74.3 | Confident | 21 Ų | 21 | 82 Ų | 82 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.8 | 168.2 | 57.2 | 178 | 0 | 0 | 0 | 108.4 | Q603 M605 R880 A899 | Q603-I878 VanDerWaalsContact OE1-CG2 3.24Å; M605-I878 HydrophobicContact SD-CD1 4.16Å; I878-R880 VanDerWaalsContact CD1-NH2 3.28Å; I878-A899 HydrophobicContact CG1-CB 4.03Å; I878-A899 PolarHBondContact N-O 2.92Å; I878-A899 PolarHBondContact O-N 2.92Å |
| 879 | Q | 85.3 | Confident | 71.8 | Confident | 99 Ų | 99 | 93.2 Ų | 93.2 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.7 | 173.3 | -173.7 | 168.5 | -10.6 | 0 | 0 | 109.1 | V897 M910 | Q879-V897 WeakPolarHBondContact CA-O 3.47Å; Q879-M910 HydrophobicContact CG-CG 4.11Å |
| 880 | R | 77.1 | Confident | 69.3 | Low | 42 Ų | 42 | 98.7 Ų | 98.7 | 16% | 0.158 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151.6 | 176.8 | -66.4 | -179 | 173.8 | 173.1 | -8.5 | 109.3 | K595 M605 I878 G896 V897 G904 | K595-R880 VanDerWaalsContact O-CZ 3.25Å; K595-R880 PolarHBondContact O-NH1 3.47Å; K595-R880 PolarHBondContact O-NH2 3.07Å; M605-R880 PolarHBondContact SD-NH2 2.99Å; I878-R880 VanDerWaalsContact CD1-NH2 3.28Å; R880-G896 CarbonylContact O-C 3.49Å; R880-G896 WeakPolarHBondContact O-CA 3.36Å; R880-V897 PolarHBondContact N-O 2.9Å; R880-V897 PolarHBondContact O-N 3.48Å; R880-G904 PolarHBondContact NH1-O 3.2Å |
| 881 | E | 71.6 | Confident | 67.1 | Low | 130 Ų | 130 | 104 Ų | 104 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 143.7 | 170.9 | -65.6 | -171.6 | 165.4 | 0 | 0 | 111.5 | A883 | E881-A883 PolarHBondContact O-N 3.44Å |
| 882 | N | 64.8 | Low | 64.9 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | trans | -78.7 | 103.1 | 174.7 | -168.3 | -16.6 | 0 | 0 | 0 | 111.3 | S884 L885 N895 V897 | N882-S884 VanDerWaalsContact CG-OG 3.32Å; N882-S884 PolarHBondContact ND2-OG 3.28Å; N882-S884 PolarHBondContact O-N 3.39Å; N882-S884 WeakPolarHBondContact OD1-CB 3.21Å; N882-S884 PolarHBondContact OD1-N 3.37Å; N882-S884 VanDerWaalsContact OD1-N 3.12Å; N882-S884 PolarHBondContact OD1-OG 3.09Å; N882-L885 HydrophobicContact CB-CB 4.46Å; N882-L885 HydrophobicContact CB-CD1 4.14Å; N882-L885 HydrophobicContact CB-CG 4.43Å; N882-L885 PolarHBondContact O-N 3.44Å; N882-N895 WeakPolarHBondContact CB-O 3.49Å; N882-N895 PolarHBondContact N-O 3.45Å; N882-V897 HydrophobicContact CB-CG2 3.8Å | ||
| 883 | A | 57.9 | Low | 63 | Low | 75 Ų | 75 | 107.8 Ų | 107.8 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E881 L885 | E881-A883 PolarHBondContact O-N 3.44Å; A883-L885 VanDerWaalsContact C-N 3.29Å; A883-L885 PolarHBondContact O-N 3.22Å |
| 884 | S | 52.8 | Low | 61.2 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.9 | 177.4 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | N882 | N882-S884 VanDerWaalsContact CG-OG 3.32Å; N882-S884 PolarHBondContact ND2-OG 3.28Å; N882-S884 PolarHBondContact O-N 3.39Å; N882-S884 WeakPolarHBondContact OD1-CB 3.21Å; N882-S884 PolarHBondContact OD1-N 3.37Å; N882-S884 VanDerWaalsContact OD1-N 3.12Å; N882-S884 PolarHBondContact OD1-OG 3.09Å |
| 885 | L | 51.6 | Low | 59.9 | Low | 48 Ų | 48 | 105.1 Ų | 105.1 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -5.8 | -177.5 | -66.1 | 173.1 | 0 | 0 | 0 | 113.4 | N882 A883 E887 R888 N895 | N882-L885 HydrophobicContact CB-CB 4.46Å; N882-L885 HydrophobicContact CB-CD1 4.14Å; N882-L885 HydrophobicContact CB-CG 4.43Å; N882-L885 PolarHBondContact O-N 3.44Å; A883-L885 VanDerWaalsContact C-N 3.29Å; A883-L885 PolarHBondContact O-N 3.22Å; L885-E887 PolarHBondContact O-N 3.07Å; L885-R888 HydrophobicContact CD2-CB 4.46Å; L885-R888 HydrophobicContact CD2-CG 4.36Å; L885-R888 PolarHBondContact O-N 3.34Å; L885-N895 WeakPolarHBondContact CD1-OD1 3.44Å |
| 886 | Q | 48.3 | Very low | 59.2 | Low | 134 Ų | 134 | 97 Ų | 97 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.5 | 173.5 | -74.1 | -177.9 | -23.7 | 0 | 0 | 113.2 | ||
| 887 | E | 45.1 | Very low | 58.9 | Low | 144 Ų | 144 | 96.5 Ų | 96.5 | 67% | 0.673 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10.7 | 174.7 | -71.7 | 179.6 | 173.4 | 0 | 0 | 114.4 | K701 L885 | K701-E887 IonicContact NZ-OE2 3.41Å; K701-E887 PolarHBondContact NZ-OE2 3.4Å; L885-E887 PolarHBondContact O-N 3.07Å |
| 888 | R | 43.5 | Very low | 58.9 | Low | 123 Ų | 123 | 95 Ų | 95 | 46% | 0.464 | 46% | 0.46 | S | S | . | . | trans | -101.1 | 93.3 | 179.7 | -68.7 | -169.8 | -177.6 | 165.8 | -0.4 | 109.1 | L885 L890 | L885-R888 HydrophobicContact CD2-CB 4.46Å; L885-R888 HydrophobicContact CD2-CG 4.36Å; L885-R888 PolarHBondContact O-N 3.34Å; R888-L890 VanDerWaalsContact C-N 3.26Å; R888-L890 PolarHBondContact O-N 2.85Å | ||
| 889 | R | 37.4 | Very low | 59 | Low | 236 Ų | 236 | 94 Ų | 94 | 89% | 0.891 | 46% | 0.455 | S | S | * | . | trans | -71.2 | 77.8 | 169.9 | -67.4 | -169.9 | 176.5 | -164.6 | -0.7 | 110.5 | ||||
| 890 | L | 34.3 | Very low | 59.2 | Low | 144 Ų | 144 | 89.3 Ų | 89.3 | 75% | 0.754 | 43% | 0.433 | S | S | * | . | trans | -133.1 | 128.9 | 170.6 | -80.8 | 164.1 | 0 | 0 | 0 | 109.2 | R888 | R888-L890 VanDerWaalsContact C-N 3.26Å; R888-L890 PolarHBondContact O-N 2.85Å | ||
| 891 | D | 39.5 | Very low | 59.7 | Low | 146 Ų | 146 | 89 Ų | 89 | 78% | 0.781 | 44% | 0.438 | S | S | * | . | trans | -78.2 | 126.9 | -178.9 | -56.9 | -43.5 | 0 | 0 | 0 | 109.8 | ||||
| 892 | Y | 38.4 | Very low | 60.2 | Low | 221 Ų | 221 | 84.8 Ų | 84.8 | 87% | 0.867 | 43% | 0.428 | S | S | * | . | trans | 82.4 | 99.5 | 170.7 | -53.3 | -79.9 | 0 | 0 | 0 | 119.9 | ||||
| 893 | E | 46.4 | Very low | 61.1 | Low | 159 Ų | 159 | 83 Ų | 83 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | S | Bend | 178.9 | 142.8 | 121.2 | -94.9 | 177.5 | -174.8 | 0 | 0 | 107.4 | N895 | E893-N895 PolarHBondContact O-N 3Å; E893-N895 VanDerWaalsContact O-N 3.12Å; E893-N895 PolarHBondContact O-OD1 3.2Å | |
| 894 | T | 51.7 | Low | 62.3 | Low | 38 Ų | 38 | 79.4 Ų | 79.4 | 23% | 0.233 | 39% | 0.39 | C | S | . | . | trans | -49.5 | 109.6 | -156.7 | 41.3 | 0 | 0 | 0 | 0 | 116.8 | G896 F912 E917 | T894-G896 VanDerWaalsContact C-N 3.26Å; T894-G896 PolarHBondContact O-N 3.31Å; T894-G896 VanDerWaalsContact O-N 3.13Å; T894-F912 HydrophobicContact CG2-CD2 4.41Å; T894-F912 PolarHBondContact OG1-N 2.9Å; T894-E917 HydrophobicContact CG2-CG 3.98Å; T894-E917 WeakPolarHBondContact CG2-OE1 3.3Å | ||
| 895 | N | 58.8 | Low | 63.9 | Low | 91 Ų | 91 | 77.1 Ų | 77.1 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | trans | -82.3 | 22.4 | -171.6 | -72.9 | -42 | 0 | 0 | 0 | 115.5 | N882 L885 E893 | N882-N895 WeakPolarHBondContact CB-O 3.49Å; N882-N895 PolarHBondContact N-O 3.45Å; L885-N895 WeakPolarHBondContact CD1-OD1 3.44Å; E893-N895 PolarHBondContact O-N 3Å; E893-N895 VanDerWaalsContact O-N 3.12Å; E893-N895 PolarHBondContact O-OD1 3.2Å | ||
| 896 | G | 72.3 | Confident | 65.7 | Low | 5 Ų | 5 | 77 Ų | 77 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R880 T894 S909 M910 | R880-G896 CarbonylContact O-C 3.49Å; R880-G896 WeakPolarHBondContact O-CA 3.36Å; T894-G896 VanDerWaalsContact C-N 3.26Å; T894-G896 PolarHBondContact O-N 3.31Å; T894-G896 VanDerWaalsContact O-N 3.13Å; G896-S909 CarbonylContact O-C 3.6Å; G896-S909 WeakPolarHBondContact O-CA 3.47Å; G896-M910 PolarHBondContact O-N 2.98Å |
| 897 | V | 83.2 | Confident | 67.7 | Low | 21 Ų | 21 | 70.6 Ų | 70.6 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.7 | 162.3 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | Q879 R880 N882 T906 G908 | Q879-V897 WeakPolarHBondContact CA-O 3.47Å; R880-V897 PolarHBondContact N-O 2.9Å; R880-V897 PolarHBondContact O-N 3.48Å; N882-V897 HydrophobicContact CB-CG2 3.8Å; V897-T906 HydrophobicContact CG1-CG2 3.34Å; V897-G908 WeakPolarHBondContact CG1-O 3.48Å |
| 898 | I | 89.8 | Confident | 69.8 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.1 | 177.3 | -61.2 | 174.2 | 0 | 0 | 0 | 108.3 | F877 W907 G908 S909 M910 P919 | F877-I898 HydrophobicContact CB-CG2 3.44Å; F877-I898 VanDerWaalsContact CB-CG2 3.44Å; F877-I898 HydrophobicContact CD1-CG2 4.18Å; F877-I898 HydrophobicContact CD2-CB 4.41Å; F877-I898 HydrophobicContact CD2-CG1 4.32Å; F877-I898 HydrophobicContact CD2-CG2 3.59Å; F877-I898 HydrophobicContact CE2-CG1 4.35Å; F877-I898 HydrophobicContact CE2-CG2 4.32Å; F877-I898 HydrophobicContact CG-CG2 3.49Å; F877-I898 VanDerWaalsContact CG-CG2 3.49Å; I898-W907 HydrophobicContact CG2-CB 4.41Å; I898-W907 HydrophobicContact CG2-CE3 4.39Å; I898-W907 PolarHBondContact O-N 2.92Å; I898-G908 PolarHBondContact N-O 3.45Å; I898-G908 PolarHBondContact O-N 3Å; I898-S909 WeakPolarHBondContact CD1-O 3.24Å; I898-M910 HydrophobicContact CD1-CG 4.27Å; I898-M910 HydrophobicContact CD1-SD 3.52Å; I898-M910 VanDerWaalsContact CD1-SD 3.52Å; I898-M910 HydrophobicContact CG1-CG 3.96Å; I898-M910 HydrophobicContact CG1-SD 3.63Å; I898-P919 HydrophobicContact CD1-CB 3.18Å |
| 899 | A | 89.2 | Confident | 72 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F877 I878 S901 Q905 | F877-A899 CarbonylContact C-O 3.58Å; F877-A899 WeakPolarHBondContact CA-O 3.15Å; F877-A899 WeakPolarHBondContact CB-O 3.36Å; I878-A899 HydrophobicContact CG1-CB 4.03Å; I878-A899 PolarHBondContact N-O 2.92Å; I878-A899 PolarHBondContact O-N 2.92Å; A899-S901 PolarHBondContact O-N 3.34Å; A899-Q905 CarbonylContact C-O 3.58Å; A899-Q905 WeakPolarHBondContact CA-O 3.34Å |
| 900 | C | 89.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 128.3 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 111 | M605 G902 C903 G904 Q905 W907 | M605-C900 WeakPolarHBondContact CE-O 3.31Å; C900-G902 PolarHBondContact O-N 3.22Å; C900-G902 PolarHBondContact SG-N 3.36Å; C900-C903 VanDerWaalsContact CB-SG 3.57Å; C900-G904 WeakPolarHBondContact O-CA 3.39Å; C900-G904 PolarHBondContact O-N 3.48Å; C900-Q905 HydrophobicContact CB-CB 4.32Å; C900-Q905 PolarHBondContact N-O 3.23Å; C900-W907 HydrophobicContact CB-CD2 4.3Å; C900-W907 VanDerWaalsContact CB-CE2 3.44Å; C900-W907 HydrophobicContact CB-CH2 3.98Å; C900-W907 HydrophobicContact CB-CZ2 3.26Å; C900-W907 WeakPolarHBondContact SG-CZ2 3.35Å |
| 901 | S | 86.9 | Confident | 76.5 | Confident | 36 Ų | 36 | 44 Ų | 44 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.6 | 174.8 | 63.3 | 0 | 0 | 0 | 0 | 114 | M605 L876 A899 | M605-S901 VanDerWaalsContact CE-C 3.48Å; M605-S901 WeakPolarHBondContact CE-O 3.15Å; L876-S901 PolarHBondContact O-N 3.05Å; L876-S901 PolarHBondContact O-OG 3.44Å; L876-S901 VanDerWaalsContact O-OG 3.04Å; A899-S901 PolarHBondContact O-N 3.34Å |
| 902 | G | 83.1 | Confident | 78.4 | Confident | 40 Ų | 40 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | M605 C900 | M605-G902 WeakPolarHBondContact CE-O 3.22Å; C900-G902 PolarHBondContact O-N 3.22Å; C900-G902 PolarHBondContact SG-N 3.36Å |
| 903 | C | 83.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -7.4 | -175.2 | 66.2 | 0 | 0 | 0 | 0 | 116.5 | K596 M605 C845 C848 C900 Q905 | K596-C903 PolarHBondContact NZ-O 2.99Å; M605-C903 VanDerWaalsContact CE-CA 3.46Å; C845-C903 VanDerWaalsContact SG-SG 3.65Å; C848-C903 HydrophobicContact CB-CB 3.75Å; C900-C903 VanDerWaalsContact CB-SG 3.57Å; C903-Q905 VanDerWaalsContact C-N 3.25Å; C903-Q905 PolarHBondContact O-N 3.44Å |
| 904 | G | 82.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 82.6 | 3.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M605 R880 C900 T906 | M605-G904 WeakPolarHBondContact SD-CA 3.34Å; R880-G904 PolarHBondContact NH1-O 3.2Å; C900-G904 WeakPolarHBondContact O-CA 3.39Å; C900-G904 PolarHBondContact O-N 3.48Å; G904-T906 PolarHBondContact O-N 3.19Å | ||
| 905 | Q | 86.6 | Confident | 82.9 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | trans | -63.6 | 123.7 | 175.5 | 176.6 | 59.7 | 39.5 | 0 | 0 | 110.7 | H847 A899 C900 C903 W907 | H847-Q905 HydrophobicContact CB-CB 3.55Å; H847-Q905 HydrophobicContact CB-CG 3.8Å; A899-Q905 CarbonylContact C-O 3.58Å; A899-Q905 WeakPolarHBondContact CA-O 3.34Å; C900-Q905 HydrophobicContact CB-CB 4.32Å; C900-Q905 PolarHBondContact N-O 3.23Å; C903-Q905 VanDerWaalsContact C-N 3.25Å; C903-Q905 PolarHBondContact O-N 3.44Å; Q905-W907 PolarHBondContact O-N 2.94Å | ||
| 906 | T | 88.6 | Confident | 83.9 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 130.4 | 171.5 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | V897 G904 N925 | V897-T906 HydrophobicContact CG1-CG2 3.34Å; G904-T906 PolarHBondContact O-N 3.19Å; T906-N925 VanDerWaalsContact O-CB 3.25Å; T906-N925 WeakPolarHBondContact O-CB 3.24Å; T906-N925 PolarHBondContact O-ND2 3.4Å |
| 907 | W | 91.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -34.4 | 177.5 | -71.2 | -11.1 | 0 | 0 | 0 | 112.4 | C845 I852 F873 L876 F877 I898 C900 Q905 L921 H922 N925 F926 | C845-W907 HydrophobicContact CB-CZ2 4.05Å; C845-W907 PolarHBondContact SG-NE1 3.37Å; C845-W907 VanDerWaalsContact SG-NE1 3.39Å; I852-W907 HydrophobicContact CD1-CD2 4.07Å; I852-W907 VanDerWaalsContact CD1-CE2 3.44Å; I852-W907 HydrophobicContact CD1-CE3 4.39Å; I852-W907 HydrophobicContact CD1-CH2 3.61Å; I852-W907 HydrophobicContact CD1-CZ2 3.19Å; I852-W907 HydrophobicContact CD1-CZ3 4.19Å; I852-W907 HydrophobicContact CG1-CH2 3.79Å; I852-W907 HydrophobicContact CG1-CZ2 3.78Å; I852-W907 HydrophobicContact CG1-CZ3 4.48Å; I852-W907 HydrophobicContact CG2-CH2 4.29Å; I852-W907 HydrophobicContact CG2-CZ3 4.19Å; F873-W907 HydrophobicContact CE2-CE3 4.1Å; F873-W907 AromaticContact CE2-CZ3 3.95Å; F873-W907 HydrophobicContact CE2-CZ3 3.95Å; F873-W907 HydrophobicContact CZ-CE3 4.12Å; F873-W907 HydrophobicContact CZ-CZ3 4.3Å; L876-W907 HydrophobicContact CB-CH2 4.21Å; L876-W907 HydrophobicContact CB-CZ3 4.15Å; L876-W907 WeakPolarHBondContact O-CH2 3.4Å; L876-W907 VanDerWaalsContact O-CZ3 3.29Å; L876-W907 WeakPolarHBondContact O-CZ3 3.13Å; F877-W907 HydrophobicContact CB-CE3 4.08Å; F877-W907 HydrophobicContact CB-CZ3 3.95Å; I898-W907 HydrophobicContact CG2-CB 4.41Å; I898-W907 HydrophobicContact CG2-CE3 4.39Å; I898-W907 PolarHBondContact O-N 2.92Å; C900-W907 HydrophobicContact CB-CD2 4.3Å; C900-W907 VanDerWaalsContact CB-CE2 3.44Å; C900-W907 HydrophobicContact CB-CH2 3.98Å; C900-W907 HydrophobicContact CB-CZ2 3.26Å; C900-W907 WeakPolarHBondContact SG-CZ2 3.35Å; Q905-W907 PolarHBondContact O-N 2.94Å; W907-L921 HydrophobicContact CB-CD2 4.49Å; W907-H922 WeakPolarHBondContact O-CB 3.29Å; W907-H922 PolarHBondContact O-N 3.2Å; W907-N925 PolarHBondContact O-ND2 3.43Å; W907-F926 HydrophobicContact CB-CE2 4.18Å; W907-F926 HydrophobicContact CB-CZ 3.72Å; W907-F926 HydrophobicContact CD2-CE1 4.31Å; W907-F926 HydrophobicContact CD2-CZ 4.24Å; W907-F926 HydrophobicContact CG-CE1 4.2Å; W907-F926 HydrophobicContact CG-CE2 4.49Å; W907-F926 AromaticContact CG-CZ 3.79Å; W907-F926 HydrophobicContact CG-CZ 3.79Å |
| 908 | G | 89.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -147.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V897 I898 C920 | V897-G908 WeakPolarHBondContact CG1-O 3.48Å; I898-G908 PolarHBondContact N-O 3.45Å; I898-G908 PolarHBondContact O-N 3Å; G908-C920 CarbonylContact C-O 3.52Å; G908-C920 VanDerWaalsContact CA-O 3.27Å; G908-C920 WeakPolarHBondContact CA-O 3.48Å |
| 909 | S | 87.9 | Confident | 84.5 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.9 | -175.3 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | G896 I898 C920 | G896-S909 CarbonylContact O-C 3.6Å; G896-S909 WeakPolarHBondContact O-CA 3.47Å; I898-S909 WeakPolarHBondContact CD1-O 3.24Å; S909-C920 PolarHBondContact N-O 3.4Å; S909-C920 WeakPolarHBondContact O-CA 3.48Å; S909-C920 WeakPolarHBondContact O-CB 3.41Å; S909-C920 PolarHBondContact O-N 3.27Å |
| 910 | M | 86.1 | Confident | 84.5 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 144.4 | 164.5 | -65.2 | -59.6 | -66.2 | 0 | 0 | 108.9 | F877 Q879 G896 I898 E917 P919 | F877-M910 HydrophobicContact CE2-SD 4.13Å; F877-M910 HydrophobicContact CZ-SD 4.33Å; Q879-M910 HydrophobicContact CG-CG 4.11Å; G896-M910 PolarHBondContact O-N 2.98Å; I898-M910 HydrophobicContact CD1-CG 4.27Å; I898-M910 HydrophobicContact CD1-SD 3.52Å; I898-M910 VanDerWaalsContact CD1-SD 3.52Å; I898-M910 HydrophobicContact CG1-CG 3.96Å; I898-M910 HydrophobicContact CG1-SD 3.63Å; M910-E917 HydrophobicContact CE-CB 3.82Å; M910-P919 HydrophobicContact SD-CB 4.28Å |
| 911 | M | 81.9 | Confident | 84.6 | Confident | 31 Ų | 31 | 35 Ų | 35 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.7 | 173.1 | 66.5 | 177.8 | -67.7 | 0 | 0 | 109.7 | I861 H865 V867 E917 L918 C920 | I861-M911 HydrophobicContact CD1-CE 4.28Å; I861-M911 HydrophobicContact CD1-SD 4.34Å; I861-M911 HydrophobicContact CG2-CE 4.36Å; H865-M911 HydrophobicContact CB-CE 4.07Å; H865-M911 HydrophobicContact CB-SD 3.83Å; V867-M911 HydrophobicContact CG1-SD 3.78Å; M911-E917 WeakPolarHBondContact O-CA 3.47Å; M911-L918 HydrophobicContact CG-CB 4.01Å; M911-L918 WeakPolarHBondContact CG-O 3.42Å; M911-L918 PolarHBondContact N-O 2.87Å; M911-L918 PolarHBondContact O-N 2.96Å; M911-C920 HydrophobicContact CB-CB 4.49Å; M911-C920 HydrophobicContact CG-CB 4.1Å; M911-C920 HydrophobicContact SD-CB 3.81Å |
| 912 | F | 79.6 | Confident | 84.8 | Confident | 107 Ų | 107 | 36.7 Ų | 36.7 | 47% | 0.469 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.6 | 173.2 | -161.6 | -108.7 | 0 | 0 | 0 | 109.3 | T894 G915 E917 | T894-F912 HydrophobicContact CG2-CD2 4.41Å; T894-F912 PolarHBondContact OG1-N 2.9Å; F912-G915 VanDerWaalsContact CE2-C 3.5Å; F912-G915 WeakPolarHBondContact CE2-O 3.41Å; F912-G915 VanDerWaalsContact CZ-C 3.41Å; F912-E917 HydrophobicContact CD2-CG 3.94Å; F912-E917 HydrophobicContact CE2-CG 4.31Å |
| 913 | Y | 78.3 | Confident | 85.2 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 115.7 | 178.5 | -177.8 | -109.6 | 0 | 0 | 0 | 110 | I861 E862 G915 I916 L918 F951 Y953 | I861-Y913 HydrophobicContact CD1-CD1 4.05Å; I861-Y913 HydrophobicContact CD1-CG 4.23Å; I861-Y913 HydrophobicContact CG2-CD1 4.24Å; I861-Y913 HydrophobicContact CG2-CD2 3.72Å; I861-Y913 HydrophobicContact CG2-CE1 4.12Å; I861-Y913 HydrophobicContact CG2-CE2 3.59Å; I861-Y913 HydrophobicContact CG2-CG 4.05Å; E862-Y913 HydrophobicContact CG-CE2 4.38Å; Y913-G915 PolarHBondContact O-N 3.35Å; Y913-I916 PolarHBondContact N-O 3.35Å; Y913-I916 PolarHBondContact O-N 3.19Å; Y913-L918 HydrophobicContact CD1-CD1 4.28Å; Y913-F951 HydrophobicContact CD1-CD1 4.31Å; Y913-F951 HydrophobicContact CD1-CE1 4.16Å; Y913-F951 HydrophobicContact CE1-CD1 4.12Å; Y913-F951 HydrophobicContact CE1-CE1 4.29Å; Y913-Y953 HydrophobicContact CD1-CD2 4.44Å; Y913-Y953 HydrophobicContact CE1-CD2 4.42Å |
| 914 | R | 78.4 | Confident | 85.5 | Confident | 158 Ų | 158 | 40.2 Ų | 40.2 | 60% | 0.596 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.1 | 178.4 | -60.6 | -175.2 | -179.9 | -163.6 | 0 | 113.7 | Y953 | R914-Y953 HydrophobicContact CB-CD2 3.99Å; R914-Y953 HydrophobicContact CB-CE2 3.46Å; R914-Y953 VanDerWaalsContact CB-CE2 3.46Å; R914-Y953 HydrophobicContact CG-CE2 4.48Å; R914-Y953 WeakPolarHBondContact O-CE2 3.23Å; R914-Y953 PolarHBondContact O-OH 2.82Å |
| 915 | G | 72.9 | Confident | 85.9 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 54% | 0.536 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -5.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F912 Y913 | F912-G915 VanDerWaalsContact CE2-C 3.5Å; F912-G915 WeakPolarHBondContact CE2-O 3.41Å; F912-G915 VanDerWaalsContact CZ-C 3.41Å; Y913-G915 PolarHBondContact O-N 3.35Å |
| 916 | I | 79.6 | Confident | 86.1 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.9 | -175.1 | -51.4 | 179.3 | 0 | 0 | 0 | 110.6 | Y913 L918 Y953 A957 M960 | Y913-I916 PolarHBondContact N-O 3.35Å; Y913-I916 PolarHBondContact O-N 3.19Å; I916-L918 HydrophobicContact CB-CD2 4.29Å; I916-L918 HydrophobicContact CB-CG 4.47Å; I916-L918 HydrophobicContact CG2-CD2 3.55Å; I916-L918 HydrophobicContact CG2-CG 4.17Å; I916-Y953 HydrophobicContact CD1-CD2 3.97Å; I916-Y953 HydrophobicContact CD1-CE2 3.39Å; I916-Y953 HydrophobicContact CG1-CE2 3.89Å; I916-A957 HydrophobicContact CD1-CB 3.96Å; I916-M960 HydrophobicContact CG2-CE 3.86Å |
| 917 | E | 81.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 38.2 Ų | 38.2 | 44% | 0.435 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.3 | 170 | -66.2 | -164.5 | 171.4 | 0 | 0 | 111.2 | T894 M910 M911 F912 | T894-E917 HydrophobicContact CG2-CG 3.98Å; T894-E917 WeakPolarHBondContact CG2-OE1 3.3Å; M910-E917 HydrophobicContact CE-CB 3.82Å; M911-E917 WeakPolarHBondContact O-CA 3.47Å; F912-E917 HydrophobicContact CD2-CG 3.94Å; F912-E917 HydrophobicContact CE2-CG 4.31Å |
| 918 | L | 85.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.9 | -175.6 | -57.1 | 180 | 0 | 0 | 0 | 111.2 | I861 V867 V869 M911 Y913 I916 C920 F951 | I861-L918 HydrophobicContact CD1-CD1 3.39Å; V867-L918 HydrophobicContact CG1-CB 4.25Å; V869-L918 HydrophobicContact CG1-CD2 3.7Å; M911-L918 HydrophobicContact CG-CB 4.01Å; M911-L918 WeakPolarHBondContact CG-O 3.42Å; M911-L918 PolarHBondContact N-O 2.87Å; M911-L918 PolarHBondContact O-N 2.96Å; Y913-L918 HydrophobicContact CD1-CD1 4.28Å; I916-L918 HydrophobicContact CB-CD2 4.29Å; I916-L918 HydrophobicContact CB-CG 4.47Å; I916-L918 HydrophobicContact CG2-CD2 3.55Å; I916-L918 HydrophobicContact CG2-CG 4.17Å; L918-C920 PolarHBondContact O-N 3.38Å; L918-F951 HydrophobicContact CD1-CE1 3.94Å; L918-F951 HydrophobicContact CD1-CE2 4.15Å; L918-F951 HydrophobicContact CD1-CZ 3.72Å; L918-F951 HydrophobicContact CD2-CE2 4.46Å; L918-F951 HydrophobicContact CD2-CZ 4.17Å |
| 919 | P | 90.4 | Very high | 86.3 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.5 | 178.9 | 32.9 | -35.9 | 0 | 0 | 0 | 112.7 | V867 N868 F873 F877 I898 M910 | V867-P919 VanDerWaalsContact CA-O 3.31Å; V867-P919 WeakPolarHBondContact CA-O 3.37Å; N868-P919 PolarHBondContact N-O 3.33Å; N868-P919 WeakPolarHBondContact O-CG 3.15Å; F873-P919 HydrophobicContact CD1-CG 3.98Å; F873-P919 HydrophobicContact CE1-CB 3.78Å; F873-P919 HydrophobicContact CE1-CG 3.73Å; F877-P919 HydrophobicContact CE1-CB 4.11Å; F877-P919 HydrophobicContact CE1-CG 4.28Å; F877-P919 HydrophobicContact CZ-CB 4.15Å; I898-P919 HydrophobicContact CD1-CB 3.18Å; M910-P919 HydrophobicContact SD-CB 4.28Å |
| 920 | C | 90.5 | Very high | 86.3 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.3 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | V867 G908 S909 M911 L918 | V867-C920 HydrophobicContact CG1-CB 4.45Å; G908-C920 CarbonylContact C-O 3.52Å; G908-C920 VanDerWaalsContact CA-O 3.27Å; G908-C920 WeakPolarHBondContact CA-O 3.48Å; S909-C920 PolarHBondContact N-O 3.4Å; S909-C920 WeakPolarHBondContact O-CA 3.48Å; S909-C920 WeakPolarHBondContact O-CB 3.41Å; S909-C920 PolarHBondContact O-N 3.27Å; M911-C920 HydrophobicContact CB-CB 4.49Å; M911-C920 HydrophobicContact CG-CB 4.1Å; M911-C920 HydrophobicContact SD-CB 3.81Å; L918-C920 PolarHBondContact O-N 3.38Å |
| 921 | L | 91.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 137 | -173.3 | -61.7 | -174.6 | 0 | 0 | 0 | 113.3 | I858 R866 N868 F873 W907 F926 W941 | I858-L921 HydrophobicContact CD1-CD1 3.72Å; R866-L921 PolarHBondContact O-N 2.96Å; N868-L921 HydrophobicContact CB-CD1 4.12Å; F873-L921 HydrophobicContact CE1-CD2 4.35Å; F873-L921 HydrophobicContact CE2-CD2 4.41Å; F873-L921 HydrophobicContact CZ-CD2 3.67Å; W907-L921 HydrophobicContact CB-CD2 4.49Å; L921-F926 HydrophobicContact CB-CE2 4.24Å; L921-F926 HydrophobicContact CB-CZ 4.37Å; L921-F926 HydrophobicContact CD1-CZ 4.21Å; L921-F926 HydrophobicContact CD2-CE2 4.46Å; L921-F926 HydrophobicContact CD2-CZ 3.88Å; L921-F926 HydrophobicContact CG-CZ 4.39Å; L921-W941 HydrophobicContact CB-CH2 4.49Å; L921-W941 HydrophobicContact CB-CZ2 3.83Å; L921-W941 PolarHBondContact O-NE1 3Å |
| 922 | H | 91 | Very high | 85.9 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | trans | -104.7 | 107.4 | 172.6 | -62.6 | 163.6 | 0 | 0 | 0 | 110.9 | W907 K924 N925 F926 | W907-H922 WeakPolarHBondContact O-CB 3.29Å; W907-H922 PolarHBondContact O-N 3.2Å; H922-K924 HydrophobicContact CB-CG 4.37Å; H922-K924 PolarHBondContact O-N 3.48Å; H922-N925 WeakPolarHBondContact O-CB 3.41Å; H922-N925 PolarHBondContact O-N 3.33Å; H922-F926 VanDerWaalsContact O-CD2 3.29Å; H922-F926 WeakPolarHBondContact O-CD2 3.25Å; H922-F926 WeakPolarHBondContact O-CE2 3.31Å | ||
| 923 | V | 90.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -53.5 | -29.3 | -172.7 | 73 | 0 | 0 | 0 | 0 | 115.1 | F843 N925 F926 V928 C938 R940 W941 L944 | F843-V923 HydrophobicContact CE1-CG2 4.3Å; V923-N925 PolarHBondContact O-N 3Å; V923-F926 PolarHBondContact O-N 3.39Å; V923-V928 HydrophobicContact CG2-CG2 4.09Å; V923-C938 HydrophobicContact CG2-CB 4.25Å; V923-C938 VanDerWaalsContact CG2-SG 3.6Å; V923-R940 VanDerWaalsContact CG1-C 3.49Å; V923-W941 HydrophobicContact CB-CD2 3.86Å; V923-W941 HydrophobicContact CB-CE3 4.24Å; V923-W941 HydrophobicContact CB-CG 4.3Å; V923-W941 HydrophobicContact CB-CH2 4.42Å; V923-W941 HydrophobicContact CB-CZ2 4.03Å; V923-W941 HydrophobicContact CG1-CD2 4.43Å; V923-W941 HydrophobicContact CG1-CG 4.37Å; V923-W941 HydrophobicContact CG2-CD2 4.39Å; V923-W941 HydrophobicContact CG2-CE3 4.28Å; V923-W941 HydrophobicContact CG2-CZ3 4.38Å; V923-L944 HydrophobicContact CG2-CD1 4.14Å |
| 924 | K | 89.2 | Confident | 86.4 | Confident | 117 Ų | 117 | 53.4 Ų | 53.4 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -56.2 | -24.1 | 178 | 65.7 | 178.1 | -179.3 | 178.5 | 0 | 114 | R846 H922 F926 C938 | R846-K924 PolarHBondContact NH1-O 3.24Å; R846-K924 VanDerWaalsContact NH1-O 3.11Å; H922-K924 HydrophobicContact CB-CG 4.37Å; H922-K924 PolarHBondContact O-N 3.48Å; K924-F926 VanDerWaalsContact C-N 3.31Å; K924-C938 WeakPolarHBondContact CA-O 3.32Å |
| 925 | N | 91.4 | Very high | 86.7 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -88.9 | 5 | -178 | -61.1 | -36.7 | 0 | 0 | 0 | 113.5 | R846 T906 W907 H922 V923 | R846-N925 WeakPolarHBondContact CB-O 3.32Å; R846-N925 PolarHBondContact N-O 3.23Å; T906-N925 VanDerWaalsContact O-CB 3.25Å; T906-N925 WeakPolarHBondContact O-CB 3.24Å; T906-N925 PolarHBondContact O-ND2 3.4Å; W907-N925 PolarHBondContact O-ND2 3.43Å; H922-N925 WeakPolarHBondContact O-CB 3.41Å; H922-N925 PolarHBondContact O-N 3.33Å; V923-N925 PolarHBondContact O-N 3Å |
| 926 | F | 92.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 152.6 | -175.8 | -60.2 | -95.3 | 0 | 0 | 0 | 111.4 | F843 S844 I852 W907 L921 H922 V923 K924 | F843-F926 HydrophobicContact CB-CD1 4.07Å; F843-F926 HydrophobicContact CD1-CB 4.12Å; F843-F926 HydrophobicContact CD1-CG 4.34Å; S844-F926 WeakPolarHBondContact O-CA 3.49Å; I852-F926 HydrophobicContact CD1-CD1 3.59Å; I852-F926 HydrophobicContact CD1-CE1 3.31Å; I852-F926 HydrophobicContact CD1-CZ 4.48Å; I852-F926 HydrophobicContact CG1-CE1 4.5Å; I852-F926 HydrophobicContact CG2-CE1 4.32Å; W907-F926 HydrophobicContact CB-CE2 4.18Å; W907-F926 HydrophobicContact CB-CZ 3.72Å; W907-F926 HydrophobicContact CD2-CE1 4.31Å; W907-F926 HydrophobicContact CD2-CZ 4.24Å; W907-F926 HydrophobicContact CG-CE1 4.2Å; W907-F926 HydrophobicContact CG-CE2 4.49Å; W907-F926 AromaticContact CG-CZ 3.79Å; W907-F926 HydrophobicContact CG-CZ 3.79Å; L921-F926 HydrophobicContact CB-CE2 4.24Å; L921-F926 HydrophobicContact CB-CZ 4.37Å; L921-F926 HydrophobicContact CD1-CZ 4.21Å; L921-F926 HydrophobicContact CD2-CE2 4.46Å; L921-F926 HydrophobicContact CD2-CZ 3.88Å; L921-F926 HydrophobicContact CG-CZ 4.39Å; H922-F926 VanDerWaalsContact O-CD2 3.29Å; H922-F926 WeakPolarHBondContact O-CD2 3.25Å; H922-F926 WeakPolarHBondContact O-CE2 3.31Å; V923-F926 PolarHBondContact O-N 3.39Å; K924-F926 VanDerWaalsContact C-N 3.31Å |
| 927 | V | 91.6 | Very high | 87.1 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 161.4 | 175.7 | 0 | 0 | 0 | 0 | 106.6 | A549 S844 R846 K934 | A549-V927 HydrophobicContact CB-CG2 4.3Å; A549-V927 WeakPolarHBondContact O-CG2 3.12Å; S844-V927 PolarHBondContact N-O 3.38Å; S844-V927 PolarHBondContact O-N 2.9Å; R846-V927 HydrophobicContact CB-CG2 4.46Å; R846-V927 HydrophobicContact CG-CG2 4.45Å; V927-K934 HydrophobicContact CG1-CB 4.29Å |
| 928 | V | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.7 | -176.2 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | V841 K842 F843 V923 I930 K934 Y935 L944 | V841-V928 HydrophobicContact CG1-CG1 3.57Å; K842-V928 WeakPolarHBondContact O-CA 3.42Å; F843-V928 HydrophobicContact CD1-CG2 3.9Å; F843-V928 HydrophobicContact CE1-CG1 4.14Å; F843-V928 HydrophobicContact CE1-CG2 3.71Å; F843-V928 HydrophobicContact CZ-CG1 4.39Å; V923-V928 HydrophobicContact CG2-CG2 4.09Å; V928-I930 HydrophobicContact CG1-CD1 4.37Å; V928-I930 HydrophobicContact CG1-CG1 3.97Å; V928-K934 CarbonylContact O-C 3.55Å; V928-K934 WeakPolarHBondContact O-CA 3.43Å; V928-Y935 PolarHBondContact N-O 2.86Å; V928-Y935 PolarHBondContact O-N 2.98Å; V928-L944 HydrophobicContact CB-CD2 4.31Å; V928-L944 HydrophobicContact CG1-CD1 4.43Å; V928-L944 HydrophobicContact CG1-CD2 3.99Å; V928-L944 HydrophobicContact CG2-CD2 4.25Å |
| 929 | D | 90.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 51 Ų | 51 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.5 | 171.4 | -170.2 | -16.2 | 0 | 0 | 0 | 109 | V841 K842 K932 K933 K934 | V841-D929 CarbonylContact C-O 3.55Å; V841-D929 WeakPolarHBondContact CA-O 3.45Å; K842-D929 HydrophobicContact CB-CB 4.3Å; K842-D929 PolarHBondContact N-O 2.76Å; K842-D929 PolarHBondContact O-N 3.24Å; D929-K932 WeakPolarHBondContact OD1-CA 3.35Å; D929-K932 PolarHBondContact OD1-N 3.19Å; D929-K933 PolarHBondContact OD1-N 3.44Å; D929-K933 VanDerWaalsContact OD1-N 3.08Å; D929-K934 HydrophobicContact CB-CG 4.47Å |
| 930 | I | 87.5 | Confident | 86.6 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119 | 174.3 | -49.3 | 177.6 | 0 | 0 | 0 | 107 | E836 V841 V928 K932 K933 Y935 L944 P945 | E836-I930 HydrophobicContact CB-CG2 4.5Å; E836-I930 HydrophobicContact CG-CG2 4.19Å; V841-I930 HydrophobicContact CG1-CG1 4.37Å; V841-I930 HydrophobicContact CG2-CG1 4.32Å; V928-I930 HydrophobicContact CG1-CD1 4.37Å; V928-I930 HydrophobicContact CG1-CG1 3.97Å; I930-K932 VanDerWaalsContact C-N 3.26Å; I930-K932 PolarHBondContact O-N 3.07Å; I930-K933 PolarHBondContact N-O 2.9Å; I930-K933 WeakPolarHBondContact O-CB 3.41Å; I930-K933 PolarHBondContact O-N 2.86Å; I930-Y935 HydrophobicContact CB-CD2 4.49Å; I930-Y935 HydrophobicContact CB-CE2 4.01Å; I930-Y935 HydrophobicContact CD1-CD2 4.21Å; I930-Y935 HydrophobicContact CD1-CE2 4.07Å; I930-Y935 HydrophobicContact CG1-CD2 4.17Å; I930-Y935 HydrophobicContact CG1-CE2 4.1Å; I930-L944 HydrophobicContact CD1-CD2 4.28Å; I930-P945 HydrophobicContact CD1-CG 4Å |
| 931 | N | 81.6 | Confident | 86.4 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 43.2 | 179.2 | -65.9 | -36.1 | 0 | 0 | 0 | 113.5 | E836 S840 K933 | E836-N931 PolarHBondContact OE1-ND2 3.4Å; E836-N931 VanDerWaalsContact OE1-ND2 3.15Å; E836-N931 PolarHBondContact OE2-ND2 3.3Å; S840-N931 WeakPolarHBondContact CB-OD1 3.18Å; S840-N931 PolarHBondContact O-N 2.97Å; N931-K933 PolarHBondContact O-N 3.21Å |
| 932 | K | 78.3 | Confident | 85.9 | Confident | 197 Ų | 197 | 64.2 Ų | 64.2 | 86% | 0.857 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 9.8 | -178 | -50.1 | 178.1 | 179.6 | 178.3 | 0 | 114.6 | D929 I930 | D929-K932 WeakPolarHBondContact OD1-CA 3.35Å; D929-K932 PolarHBondContact OD1-N 3.19Å; I930-K932 VanDerWaalsContact C-N 3.26Å; I930-K932 PolarHBondContact O-N 3.07Å |
| 933 | K | 84.1 | Confident | 85.4 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.6 | 174.5 | -173.7 | 171.3 | 167.6 | -162.4 | 0 | 109.6 | D929 I930 N931 Y935 | D929-K933 PolarHBondContact OD1-N 3.44Å; D929-K933 VanDerWaalsContact OD1-N 3.08Å; I930-K933 PolarHBondContact N-O 2.9Å; I930-K933 WeakPolarHBondContact O-CB 3.41Å; I930-K933 PolarHBondContact O-N 2.86Å; N931-K933 PolarHBondContact O-N 3.21Å; K933-Y935 HydrophobicContact CB-CE2 4.04Å; K933-Y935 HydrophobicContact CD-CE1 4.47Å; K933-Y935 HydrophobicContact CD-CE2 4.23Å; K933-Y935 VanDerWaalsContact CD-OH 3.29Å; K933-Y935 WeakPolarHBondContact CD-OH 3.47Å; K933-Y935 WeakPolarHBondContact CE-OH 3.32Å; K933-Y935 HydrophobicContact CG-CE2 3.87Å; K933-Y935 PolarHBondContact NZ-OH 3.26Å; K933-Y935 WeakPolarHBondContact O-CD2 3.41Å; K933-Y935 WeakPolarHBondContact O-CE2 3.47Å |
| 934 | K | 83.9 | Confident | 85 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.3 | 178.6 | -64.4 | -177.7 | 179.5 | -179.5 | 0 | 112.6 | K550 V927 V928 D929 | K550-K934 WeakPolarHBondContact CE-O 3.43Å; K550-K934 HydrophobicContact CG-CB 3.78Å; K550-K934 WeakPolarHBondContact O-CD 3.19Å; K550-K934 PolarHBondContact O-NZ 3.49Å; V927-K934 HydrophobicContact CG1-CB 4.29Å; V928-K934 CarbonylContact O-C 3.55Å; V928-K934 WeakPolarHBondContact O-CA 3.43Å; D929-K934 HydrophobicContact CB-CG 4.47Å |
| 935 | Y | 84.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 29% | 0.286 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.9 | 176.3 | -61.1 | -92.3 | 0 | 0 | 0 | 109.6 | V928 I930 K933 | V928-Y935 PolarHBondContact N-O 2.86Å; V928-Y935 PolarHBondContact O-N 2.98Å; I930-Y935 HydrophobicContact CB-CD2 4.49Å; I930-Y935 HydrophobicContact CB-CE2 4.01Å; I930-Y935 HydrophobicContact CD1-CD2 4.21Å; I930-Y935 HydrophobicContact CD1-CE2 4.07Å; I930-Y935 HydrophobicContact CG1-CD2 4.17Å; I930-Y935 HydrophobicContact CG1-CE2 4.1Å; K933-Y935 HydrophobicContact CB-CE2 4.04Å; K933-Y935 HydrophobicContact CD-CE1 4.47Å; K933-Y935 HydrophobicContact CD-CE2 4.23Å; K933-Y935 VanDerWaalsContact CD-OH 3.29Å; K933-Y935 WeakPolarHBondContact CD-OH 3.47Å; K933-Y935 WeakPolarHBondContact CE-OH 3.32Å; K933-Y935 HydrophobicContact CG-CE2 3.87Å; K933-Y935 PolarHBondContact NZ-OH 3.26Å; K933-Y935 WeakPolarHBondContact O-CD2 3.41Å; K933-Y935 WeakPolarHBondContact O-CE2 3.47Å |
| 936 | S | 80.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -109.9 | -1.7 | 177.9 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | R546 R846 | R546-S936 PolarHBondContact O-OG 2.99Å; R846-S936 PolarHBondContact NH1-O 3.08Å; R846-S936 PolarHBondContact NH2-O 3.41Å |
| 937 | N | 79.3 | Confident | 83.9 | Confident | 94 Ų | 94 | 67 Ų | 67 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -105.5 | 9.2 | -176.2 | 67.8 | -26.9 | 0 | 0 | 0 | 113.7 | T939 | N937-T939 PolarHBondContact O-N 3.32Š| ||
| 938 | C | 81.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | trans | -69.5 | 119.9 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | V923 K924 R940 L944 | V923-C938 HydrophobicContact CG2-CB 4.25Å; V923-C938 VanDerWaalsContact CG2-SG 3.6Å; K924-C938 WeakPolarHBondContact CA-O 3.32Å; C938-R940 PolarHBondContact SG-O 2.85Å; C938-R940 VanDerWaalsContact SG-O 3.33Å; C938-L944 HydrophobicContact CB-CD2 4.3Å; C938-L944 VanDerWaalsContact SG-CD2 3.58Å | ||
| 939 | T | 81.8 | Confident | 83.5 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | trans | -107.7 | -25.5 | -179.6 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | N937 D943 | N937-T939 PolarHBondContact O-N 3.32Å; T939-D943 PolarHBondContact N-OD2 3.34Å; T939-D943 PolarHBondContact OG1-OD2 3.48Å | ||
| 940 | R | 85.1 | Confident | 83.4 | Confident | 163 Ų | 163 | 73.8 Ų | 73.8 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -134.9 | 145.7 | -178.8 | -59.7 | 172.6 | -61.3 | 178.8 | 5.9 | 110.2 | V923 C938 N942 D943 | V923-R940 VanDerWaalsContact CG1-C 3.49Å; C938-R940 PolarHBondContact SG-O 2.85Å; C938-R940 VanDerWaalsContact SG-O 3.33Å; R940-N942 PolarHBondContact O-N 2.9Å; R940-N942 VanDerWaalsContact O-N 3.13Å; R940-D943 IonicContact CZ-OD1 3.74Å; R940-D943 PolarHBondContact N-OD2 3.3Å; R940-D943 IonicContact NE-OD1 3.63Å; R940-D943 PolarHBondContact NE-OD1 3.23Å; R940-D943 IonicContact NE-OD2 2.84Å; R940-D943 IonicContact NH2-OD1 3.46Å; R940-D943 PolarHBondContact NH2-OD1 2.94Å; R940-D943 VanDerWaalsContact O-CB 3.27Å; R940-D943 WeakPolarHBondContact O-CB 3.24Å; R940-D943 PolarHBondContact O-N 3.37Å |
| 941 | W | 85.9 | Confident | 83.4 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 10% | 0.095 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -56.5 | -31.2 | 178.1 | -72.1 | 105.6 | 0 | 0 | 0 | 113.4 | F843 I858 R866 L921 V923 D943 L944 F948 | F843-W941 AromaticContact CE1-CH2 3.89Å; F843-W941 HydrophobicContact CE1-CH2 3.89Å; F843-W941 AromaticContact CE1-CZ3 3.69Å; F843-W941 HydrophobicContact CE1-CZ3 3.69Å; F843-W941 HydrophobicContact CZ-CH2 4.08Å; F843-W941 AromaticContact CZ-CZ3 3.6Å; F843-W941 HydrophobicContact CZ-CZ3 3.6Å; I858-W941 HydrophobicContact CD1-CH2 4.4Å; I858-W941 HydrophobicContact CG2-CH2 4.38Å; I858-W941 HydrophobicContact CG2-CZ3 4.31Å; R866-W941 HydrophobicContact CB-CD2 4.03Å; R866-W941 HydrophobicContact CB-CH2 4.19Å; R866-W941 HydrophobicContact CB-CZ2 3.68Å; R866-W941 HydrophobicContact CG-CD2 3.66Å; R866-W941 HydrophobicContact CG-CE3 4.03Å; R866-W941 HydrophobicContact CG-CG 3.92Å; R866-W941 HydrophobicContact CG-CZ2 4.23Å; R866-W941 HydrophobicContact CG-CZ3 4.44Å; L921-W941 HydrophobicContact CB-CH2 4.49Å; L921-W941 HydrophobicContact CB-CZ2 3.83Å; L921-W941 PolarHBondContact O-NE1 3Å; V923-W941 HydrophobicContact CB-CD2 3.86Å; V923-W941 HydrophobicContact CB-CE3 4.24Å; V923-W941 HydrophobicContact CB-CG 4.3Å; V923-W941 HydrophobicContact CB-CH2 4.42Å; V923-W941 HydrophobicContact CB-CZ2 4.03Å; V923-W941 HydrophobicContact CG1-CD2 4.43Å; V923-W941 HydrophobicContact CG1-CG 4.37Å; V923-W941 HydrophobicContact CG2-CD2 4.39Å; V923-W941 HydrophobicContact CG2-CE3 4.28Å; V923-W941 HydrophobicContact CG2-CZ3 4.38Å; W941-D943 PolarHBondContact O-N 3.03Å; W941-L944 HydrophobicContact CE3-CD1 3.97Å; W941-L944 HydrophobicContact CZ3-CD1 4.2Å; W941-L944 PolarHBondContact O-N 3.05Å; W941-F948 AromaticContact CE3-CE2 3.75Å; W941-F948 HydrophobicContact CE3-CE2 3.75Å; W941-F948 HydrophobicContact CE3-CZ 4.25Å; W941-F948 AromaticContact CZ3-CE2 3.9Å; W941-F948 HydrophobicContact CZ3-CE2 3.9Å; W941-F948 AromaticContact CZ3-CZ 3.97Å; W941-F948 HydrophobicContact CZ3-CZ 3.97Å |
| 942 | N | 81.5 | Confident | 83.6 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -71.1 | -12.1 | 176.6 | -70.8 | -13.8 | 0 | 0 | 0 | 114.2 | R940 | R940-N942 PolarHBondContact O-N 2.9Å; R940-N942 VanDerWaalsContact O-N 3.13Å |
| 943 | D | 81.1 | Confident | 83.9 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -76.1 | -14.1 | 173.7 | -53.8 | -31.7 | 0 | 0 | 0 | 111.1 | T939 R940 W941 | T939-D943 PolarHBondContact N-OD2 3.34Å; T939-D943 PolarHBondContact OG1-OD2 3.48Å; R940-D943 IonicContact CZ-OD1 3.74Å; R940-D943 PolarHBondContact N-OD2 3.3Å; R940-D943 IonicContact NE-OD1 3.63Å; R940-D943 PolarHBondContact NE-OD1 3.23Å; R940-D943 IonicContact NE-OD2 2.84Å; R940-D943 IonicContact NH2-OD1 3.46Å; R940-D943 PolarHBondContact NH2-OD1 2.94Å; R940-D943 VanDerWaalsContact O-CB 3.27Å; R940-D943 WeakPolarHBondContact O-CB 3.24Å; R940-D943 PolarHBondContact O-N 3.37Å; W941-D943 PolarHBondContact O-N 3.03Å |
| 944 | L | 82.4 | Confident | 83.8 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -87.9 | 135 | 178.6 | -57.5 | 178.8 | 0 | 0 | 0 | 111.7 | F843 V923 V928 I930 C938 W941 V946 F948 | F843-L944 HydrophobicContact CE1-CD1 4.19Å; F843-L944 HydrophobicContact CZ-CD1 4.11Å; V923-L944 HydrophobicContact CG2-CD1 4.14Å; V928-L944 HydrophobicContact CB-CD2 4.31Å; V928-L944 HydrophobicContact CG1-CD1 4.43Å; V928-L944 HydrophobicContact CG1-CD2 3.99Å; V928-L944 HydrophobicContact CG2-CD2 4.25Å; I930-L944 HydrophobicContact CD1-CD2 4.28Å; C938-L944 HydrophobicContact CB-CD2 4.3Å; C938-L944 VanDerWaalsContact SG-CD2 3.58Å; W941-L944 HydrophobicContact CE3-CD1 3.97Å; W941-L944 HydrophobicContact CZ3-CD1 4.2Å; W941-L944 PolarHBondContact O-N 3.05Å; L944-V946 HydrophobicContact CB-CG1 3.8Å; L944-V946 HydrophobicContact CD1-CG1 4.44Å; L944-V946 PolarHBondContact O-N 3.25Å; L944-F948 HydrophobicContact CD1-CZ 4.42Å |
| 945 | P | 81.9 | Confident | 83.7 | Confident | 49 Ų | 49 | 69 Ų | 69 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -79.2 | 36.5 | -179.8 | 35.7 | -38.3 | 0 | 0 | 0 | 113.4 | K834 E836 I930 | K834-P945 CarbonylContact C-O 3.5Å; K834-P945 VanDerWaalsContact CA-O 3.3Å; K834-P945 WeakPolarHBondContact CA-O 3.29Å; E836-P945 HydrophobicContact CG-CB 4.35Å; E836-P945 HydrophobicContact CG-CG 4.03Å; E836-P945 PolarHBondContact N-O 2.91Å; I930-P945 HydrophobicContact CD1-CG 4Å |
| 946 | V | 83.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 144.6 | -175 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | K834 P838 V841 L944 F948 | K834-V946 VanDerWaalsContact CD-O 3.31Å; K834-V946 WeakPolarHBondContact CD-O 3.39Å; K834-V946 WeakPolarHBondContact CE-O 3.49Å; K834-V946 PolarHBondContact NZ-O 3.17Å; P838-V946 HydrophobicContact CB-CG2 4.29Å; P838-V946 HydrophobicContact CG-CG2 3.95Å; V841-V946 HydrophobicContact CG2-CB 4.1Å; V841-V946 HydrophobicContact CG2-CG1 4.24Å; V841-V946 HydrophobicContact CG2-CG2 4.06Å; L944-V946 HydrophobicContact CB-CG1 3.8Å; L944-V946 HydrophobicContact CD1-CG1 4.44Å; L944-V946 PolarHBondContact O-N 3.25Å; V946-F948 HydrophobicContact CB-CZ 4.42Å; V946-F948 HydrophobicContact CG1-CD2 4.42Å; V946-F948 HydrophobicContact CG1-CE1 3.85Å; V946-F948 HydrophobicContact CG1-CE2 3.58Å; V946-F948 HydrophobicContact CG1-CZ 3.25Å; V946-F948 HydrophobicContact CG2-CD1 4.35Å; V946-F948 HydrophobicContact CG2-CE1 4.01Å; V946-F948 HydrophobicContact CG2-CZ 4.28Å |
| 947 | K | 83.9 | Confident | 83.6 | Confident | 141 Ų | 141 | 67.4 Ų | 67.4 | 61% | 0.613 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -102.5 | 131.4 | 167.7 | -70.7 | -176.2 | -179.3 | -179.8 | 0 | 108.9 | K834 P838 | K834-K947 HydrophobicContact CB-CG 3.76Å; K834-K947 HydrophobicContact CD-CG 3.61Å; K834-K947 HydrophobicContact CG-CG 4.36Å; P838-K947 VanDerWaalsContact CG-O 3.26Å; P838-K947 WeakPolarHBondContact CG-O 3.21Å |
| 948 | F | 87.7 | Confident | 83.7 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 150.8 | 175.1 | -57.7 | -71.5 | 0 | 0 | 0 | 109.5 | F843 G855 I858 I860 W941 L944 V946 | F843-F948 HydrophobicContact CE2-CZ 4.5Å; F843-F948 HydrophobicContact CZ-CZ 4.09Å; G855-F948 VanDerWaalsContact O-CD1 3.24Å; G855-F948 WeakPolarHBondContact O-CD1 3.47Å; G855-F948 WeakPolarHBondContact O-CE1 3.32Å; I858-F948 HydrophobicContact CB-CD1 3.66Å; I858-F948 HydrophobicContact CB-CE1 3.9Å; I858-F948 HydrophobicContact CB-CG 4.11Å; I858-F948 HydrophobicContact CG1-CD1 4.48Å; I858-F948 HydrophobicContact CG1-CE1 4.23Å; I858-F948 HydrophobicContact CG2-CB 4.24Å; I858-F948 HydrophobicContact CG2-CD1 3.86Å; I858-F948 HydrophobicContact CG2-CD2 4.07Å; I858-F948 HydrophobicContact CG2-CE1 4.17Å; I858-F948 HydrophobicContact CG2-CE2 4.37Å; I858-F948 HydrophobicContact CG2-CG 3.79Å; I858-F948 HydrophobicContact CG2-CZ 4.4Å; I860-F948 HydrophobicContact CD1-CB 3.85Å; I860-F948 WeakPolarHBondContact CD1-O 3.43Å; I860-F948 HydrophobicContact CG1-CB 3.79Å; W941-F948 AromaticContact CE3-CE2 3.75Å; W941-F948 HydrophobicContact CE3-CE2 3.75Å; W941-F948 HydrophobicContact CE3-CZ 4.25Å; W941-F948 AromaticContact CZ3-CE2 3.9Å; W941-F948 HydrophobicContact CZ3-CE2 3.9Å; W941-F948 AromaticContact CZ3-CZ 3.97Å; W941-F948 HydrophobicContact CZ3-CZ 3.97Å; L944-F948 HydrophobicContact CD1-CZ 4.42Å; V946-F948 HydrophobicContact CB-CZ 4.42Å; V946-F948 HydrophobicContact CG1-CD2 4.42Å; V946-F948 HydrophobicContact CG1-CE1 3.85Å; V946-F948 HydrophobicContact CG1-CE2 3.58Å; V946-F948 HydrophobicContact CG1-CZ 3.25Å; V946-F948 HydrophobicContact CG2-CD1 4.35Å; V946-F948 HydrophobicContact CG2-CE1 4.01Å; V946-F948 HydrophobicContact CG2-CZ 4.28Å |
| 949 | P | 87.4 | Confident | 83.5 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -66 | 157.6 | 176 | 27.6 | -35.4 | 0 | 0 | 0 | 112.5 | I858 Q859 I860 | I858-P949 WeakPolarHBondContact O-CD 3.49Å; Q859-P949 CarbonylContact C-O 3.55Å; Q859-P949 WeakPolarHBondContact CA-O 3.21Å; Q859-P949 HydrophobicContact CG-CG 4.29Å; I860-P949 PolarHBondContact N-O 3.41Å |
| 950 | D | 88 | Confident | 83 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | B | Isolated β-bridge | trans | -72.2 | 149.3 | 170.7 | -66.3 | -34.7 | 0 | 0 | 0 | 110.4 | D952 | D950-D952 PolarHBondContact O-N 3.13Å |
| 951 | F | 87.9 | Confident | 82.3 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 122.1 | 179.4 | 176.1 | -101.2 | 0 | 0 | 0 | 111.5 | Q859 I860 I861 V867 V869 Y913 L918 Y953 H956 | Q859-F951 HydrophobicContact CB-CB 4.11Å; Q859-F951 HydrophobicContact CB-CD2 4.23Å; I860-F951 WeakPolarHBondContact O-CB 3.39Å; I860-F951 PolarHBondContact O-N 3.16Å; I861-F951 HydrophobicContact CD1-CB 4.34Å; I861-F951 HydrophobicContact CD1-CD1 4.02Å; I861-F951 HydrophobicContact CD1-CD2 4.42Å; I861-F951 HydrophobicContact CD1-CE1 4.49Å; I861-F951 HydrophobicContact CD1-CG 3.99Å; I861-F951 HydrophobicContact CG1-CB 3.49Å; I861-F951 VanDerWaalsContact CG1-CB 3.49Å; I861-F951 HydrophobicContact CG1-CD1 3.89Å; I861-F951 HydrophobicContact CG1-CD2 4.42Å; I861-F951 HydrophobicContact CG1-CG 3.68Å; V867-F951 HydrophobicContact CG2-CD2 3.87Å; V867-F951 HydrophobicContact CG2-CE2 4.49Å; V869-F951 HydrophobicContact CB-CE2 4.38Å; V869-F951 HydrophobicContact CG1-CD2 4.41Å; V869-F951 HydrophobicContact CG1-CE2 3.74Å; V869-F951 HydrophobicContact CG2-CE2 3.96Å; Y913-F951 HydrophobicContact CD1-CD1 4.31Å; Y913-F951 HydrophobicContact CD1-CE1 4.16Å; Y913-F951 HydrophobicContact CE1-CD1 4.12Å; Y913-F951 HydrophobicContact CE1-CE1 4.29Å; L918-F951 HydrophobicContact CD1-CE1 3.94Å; L918-F951 HydrophobicContact CD1-CE2 4.15Å; L918-F951 HydrophobicContact CD1-CZ 3.72Å; L918-F951 HydrophobicContact CD2-CE2 4.46Å; L918-F951 HydrophobicContact CD2-CZ 4.17Å; F951-Y953 HydrophobicContact CE1-CD2 4.19Å; F951-Y953 PolarHBondContact O-N 2.66Å; F951-H956 HydrophobicContact CE2-CB 4.23Å; F951-H956 HydrophobicContact CZ-CB 3.89Å |
| 952 | D | 85.8 | Confident | 81.3 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | trans | -87.7 | 99.7 | 173.7 | -166.4 | -30.7 | 0 | 0 | 0 | 110.5 | D950 I954 E955 H956 | D950-D952 PolarHBondContact O-N 3.13Å; D952-I954 PolarHBondContact OD1-N 3.28Å; D952-E955 HydrophobicContact CB-CB 4.02Å; D952-E955 PolarHBondContact OD1-N 2.98Å; D952-H956 PolarHBondContact O-N 3.12Å | ||
| 953 | Y | 84.1 | Confident | 80.1 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 178.1 | 176.1 | -90.5 | 0 | 0 | 0 | 112.7 | Y913 R914 I916 F951 H956 A957 | Y913-Y953 HydrophobicContact CD1-CD2 4.44Å; Y913-Y953 HydrophobicContact CE1-CD2 4.42Å; R914-Y953 HydrophobicContact CB-CD2 3.99Å; R914-Y953 HydrophobicContact CB-CE2 3.46Å; R914-Y953 VanDerWaalsContact CB-CE2 3.46Å; R914-Y953 HydrophobicContact CG-CE2 4.48Å; R914-Y953 WeakPolarHBondContact O-CE2 3.23Å; R914-Y953 PolarHBondContact O-OH 2.82Å; I916-Y953 HydrophobicContact CD1-CD2 3.97Å; I916-Y953 HydrophobicContact CD1-CE2 3.39Å; I916-Y953 HydrophobicContact CG1-CE2 3.89Å; F951-Y953 HydrophobicContact CE1-CD2 4.19Å; F951-Y953 PolarHBondContact O-N 2.66Å; Y953-H956 PolarHBondContact O-N 3.1Å; Y953-A957 HydrophobicContact CD1-CB 4.4Å; Y953-A957 HydrophobicContact CE1-CB 3.98Å; Y953-A957 WeakPolarHBondContact O-CB 3.45Å; Y953-A957 PolarHBondContact O-N 2.91Å |
| 954 | I | 82.1 | Confident | 78.3 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 66% | 0.656 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.8 | -45.3 | -173 | -62.2 | 175.8 | 0 | 0 | 0 | 109.4 | D952 S958 | D952-I954 PolarHBondContact OD1-N 3.28Å; I954-S958 VanDerWaalsContact O-CB 3.28Å; I954-S958 WeakPolarHBondContact O-CB 3.35Å; I954-S958 PolarHBondContact O-N 3.03Å; I954-S958 PolarHBondContact O-OG 2.94Å |
| 955 | E | 82.4 | Confident | 76.4 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 176.6 | -174.1 | -179.8 | -168.3 | 0 | 0 | 110.8 | D952 S958 L959 | D952-E955 HydrophobicContact CB-CB 4.02Å; D952-E955 PolarHBondContact OD1-N 2.98Å; E955-S958 PolarHBondContact O-N 3.47Å; E955-L959 HydrophobicContact CG-CD1 4.41Å; E955-L959 WeakPolarHBondContact O-CG 3.46Å; E955-L959 PolarHBondContact O-N 3.49Å; E955-L959 VanDerWaalsContact O-N 3.11Å |
| 956 | H | 81.9 | Confident | 74.6 | Confident | 26 Ų | 26 | 75 Ų | 75 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | -177.5 | -167.1 | 64.1 | 0 | 0 | 0 | 113.2 | F951 D952 Y953 S958 L959 M960 | F951-H956 HydrophobicContact CE2-CB 4.23Å; F951-H956 HydrophobicContact CZ-CB 3.89Å; D952-H956 PolarHBondContact O-N 3.12Å; Y953-H956 PolarHBondContact O-N 3.1Å; H956-S958 VanDerWaalsContact C-N 3.32Å; H956-S958 PolarHBondContact O-N 3.43Å; H956-L959 PolarHBondContact O-N 3.19Å; H956-M960 WeakPolarHBondContact O-CG 3.32Å; H956-M960 PolarHBondContact O-N 2.94Å |
| 957 | A | 81.5 | Confident | 72.5 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 21% | 0.207 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I916 Y953 M960 A961 | I916-A957 HydrophobicContact CD1-CB 3.96Å; Y953-A957 HydrophobicContact CD1-CB 4.4Å; Y953-A957 HydrophobicContact CE1-CB 3.98Å; Y953-A957 WeakPolarHBondContact O-CB 3.45Å; Y953-A957 PolarHBondContact O-N 2.91Å; A957-M960 PolarHBondContact O-N 2.76Å; A957-A961 WeakPolarHBondContact O-CB 3.46Å; A957-A961 PolarHBondContact O-N 3.15Å |
| 958 | S | 80.1 | Confident | 70.2 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 38% | 0.378 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | I954 E955 H956 A961 Q962 | I954-S958 VanDerWaalsContact O-CB 3.28Å; I954-S958 WeakPolarHBondContact O-CB 3.35Å; I954-S958 PolarHBondContact O-N 3.03Å; I954-S958 PolarHBondContact O-OG 2.94Å; E955-S958 PolarHBondContact O-N 3.47Å; H956-S958 VanDerWaalsContact C-N 3.32Å; H956-S958 PolarHBondContact O-N 3.43Å; S958-A961 PolarHBondContact O-N 3.28Å; S958-Q962 WeakPolarHBondContact O-CB 3.29Å; S958-Q962 VanDerWaalsContact O-CG 3.27Å; S958-Q962 WeakPolarHBondContact O-CG 3.44Å; S958-Q962 PolarHBondContact O-N 2.84Å |
| 959 | L | 77.1 | Confident | 67.9 | Low | 94 Ų | 94 | 87 Ų | 87 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.3 | -72.6 | 168.4 | 0 | 0 | 0 | 112.5 | E955 H956 G963 | E955-L959 HydrophobicContact CG-CD1 4.41Å; E955-L959 WeakPolarHBondContact O-CG 3.46Å; E955-L959 PolarHBondContact O-N 3.49Å; E955-L959 VanDerWaalsContact O-N 3.11Å; H956-L959 PolarHBondContact O-N 3.19Å; L959-G963 PolarHBondContact O-N 3.45Å; L959-G963 VanDerWaalsContact O-N 3.15Å |
| 960 | M | 72.5 | Confident | 65.2 | Low | 82 Ų | 82 | 96.5 Ų | 96.5 | 40% | 0.404 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.8 | -41 | 176.5 | -71.1 | -83.7 | -114.3 | 0 | 0 | 111.8 | I916 H956 A957 G963 S964 | I916-M960 HydrophobicContact CG2-CE 3.86Å; H956-M960 WeakPolarHBondContact O-CG 3.32Å; H956-M960 PolarHBondContact O-N 2.94Å; A957-M960 PolarHBondContact O-N 2.76Å; M960-G963 PolarHBondContact O-N 3.43Å; M960-S964 PolarHBondContact O-N 2.94Å |
| 961 | A | 70.8 | Confident | 64 | Low | 57 Ų | 57 | 95.6 Ų | 95.6 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A957 S958 S964 | A957-A961 WeakPolarHBondContact O-CB 3.46Å; A957-A961 PolarHBondContact O-N 3.15Å; S958-A961 PolarHBondContact O-N 3.28Å; A961-S964 PolarHBondContact O-OG 3.37Å |
| 962 | Q | 64.4 | Low | 62.8 | Low | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.4 | -30.7 | 175 | -72.9 | 171.5 | 9.8 | 0 | 0 | 112.5 | S958 | S958-Q962 WeakPolarHBondContact O-CB 3.29Å; S958-Q962 VanDerWaalsContact O-CG 3.27Å; S958-Q962 WeakPolarHBondContact O-CG 3.44Å; S958-Q962 PolarHBondContact O-N 2.84Å |
| 963 | G | 55 | Low | 61.5 | Low | 43 Ų | 43 | 100.8 Ų | 100.8 | 44% | 0.443 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -76 | -21.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L959 M960 | L959-G963 PolarHBondContact O-N 3.45Å; L959-G963 VanDerWaalsContact O-N 3.15Å; M960-G963 PolarHBondContact O-N 3.43Å |
| 964 | S | 45.1 | Very low | 60.1 | Low | 64 Ų | 64 | 102.5 Ų | 102.5 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -80.7 | -20.2 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | M960 A961 D966 | M960-S964 PolarHBondContact O-N 2.94Å; A961-S964 PolarHBondContact O-OG 3.37Å; S964-D966 VanDerWaalsContact C-N 3.32Å |
| 965 | D | 42.4 | Very low | 58.8 | Low | 122 Ų | 122 | 100.9 Ų | 100.9 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -75.4 | -22.6 | 177.7 | -78.6 | -14.2 | 0 | 0 | 0 | 112.4 | ||
| 966 | D | 42.5 | Very low | 57.2 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 68% | 0.684 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -82 | -16.7 | 179 | -73.6 | -23.7 | 0 | 0 | 0 | 113.4 | S964 | S964-D966 VanDerWaalsContact C-N 3.32Š|
| 967 | E | 40.1 | Very low | 55.4 | Low | 174 Ų | 174 | 105.2 Ų | 105.2 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -88.7 | -2.6 | 177.5 | -77.6 | -172.5 | 171.4 | 0 | 0 | 113.9 | ||
| 968 | V | 36.3 | Very low | 53.4 | Low | 124 Ų | 124 | 111.4 Ų | 111.4 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -93.3 | 1.6 | 176.5 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 969 | T | 37.4 | Very low | 51.2 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | trans | -128.4 | 60.6 | 175 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 970 | E | 30.7 | Very low | 48.8 | Very low | 265 Ų | 265 | 118.2 Ų | 118.2 | 100% | 1.238 | 65% | 0.654 | S | S | * | * | trans | -139.7 | 0 | 151.2 | -89.2 | -166.2 | 164 | 0 | 0 | 111.7 |
Retrieved 970 of 970 residues in 275.5 ms
(Link to these results)