| 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 | L | 70.6 | Confident | 87.8 | Confident | 122 Ų | 122 | 84.6 Ų | 84.6 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | 0 | -59.6 | 0 | -172.3 | 61.5 | 0 | 0 | 0 | 110.5 | E3 K4 | L1-E3 PolarHBondContact O-N 3.04Å; L1-K4 PolarHBondContact O-N 3.38Å | |||
| 2 | V | 79.7 | Confident | 88.3 | Confident | 10 Ų | 10 | 78.1 Ų | 78.1 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -43.2 | -55.8 | 178.7 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | K4 K5 I6 L9 I31 C48 L50 Y87 V288 | V2-K4 VanDerWaalsContact C-N 3.26Å; V2-K4 PolarHBondContact O-N 3.38Å; V2-K4 VanDerWaalsContact O-N 3.12Å; V2-K5 CarbonylContact O-C 3.55Å; V2-K5 PolarHBondContact O-N 2.91Å; V2-I6 HydrophobicContact CG1-CD1 4.27Å; V2-I6 PolarHBondContact O-N 2.97Å; V2-L9 HydrophobicContact CG1-CD1 4.03Å; V2-I31 HydrophobicContact CB-CG2 4.45Å; V2-I31 HydrophobicContact CG1-CG2 4.43Å; V2-C48 HydrophobicContact CB-CB 4.49Å; V2-C48 HydrophobicContact CG2-CB 3.64Å; V2-L50 HydrophobicContact CG1-CD2 4.3Å; V2-Y87 HydrophobicContact CB-CE1 4.49Å; V2-Y87 HydrophobicContact CG2-CE1 3.82Å; V2-V288 HydrophobicContact CG2-CG1 4.43Å |
| 3 | E | 81.4 | Confident | 88.7 | Confident | 147 Ų | 147 | 72.2 Ų | 72.2 | 69% | 0.687 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -46.4 | -39.7 | 174.8 | -175.9 | -173.2 | -167.7 | 0 | 0 | 114.9 | L1 K5 I6 I31 | L1-E3 PolarHBondContact O-N 3.04Å; E3-K5 VanDerWaalsContact C-N 3.31Å; E3-K5 PolarHBondContact O-N 3.06Å; E3-I6 VanDerWaalsContact O-CG2 3.31Å; E3-I6 WeakPolarHBondContact O-CG2 3.06Å; E3-I31 HydrophobicContact CB-CD1 4.12Å; E3-I31 HydrophobicContact CG-CD1 4.46Å |
| 4 | K | 87.8 | Confident | 89.2 | Confident | 188 Ų | 188 | 68.9 Ų | 68.9 | 82% | 0.817 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -77.2 | -15.2 | -179.3 | 179.8 | 169.3 | 179 | 179.7 | 0 | 113.5 | L1 V2 | L1-K4 PolarHBondContact O-N 3.38Å; V2-K4 VanDerWaalsContact C-N 3.26Å; V2-K4 PolarHBondContact O-N 3.38Å; V2-K4 VanDerWaalsContact O-N 3.12Å |
| 5 | K | 90.8 | Very high | 89.5 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 27% | 0.274 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -120.6 | 16.8 | -179.6 | -73.8 | 178.7 | 160.8 | -170.3 | 0 | 111.4 | V2 E3 E7 D8 L9 P85 Y86 | V2-K5 CarbonylContact O-C 3.55Å; V2-K5 PolarHBondContact O-N 2.91Å; E3-K5 VanDerWaalsContact C-N 3.31Å; E3-K5 PolarHBondContact O-N 3.06Å; K5-E7 VanDerWaalsContact C-N 3.31Å; K5-E7 PolarHBondContact O-N 3.31Å; K5-D8 PolarHBondContact O-N 3.48Å; K5-L9 HydrophobicContact CB-CD1 4.09Å; K5-L9 HydrophobicContact CB-CG 4.47Å; K5-L9 WeakPolarHBondContact O-CB 3.48Å; K5-L9 VanDerWaalsContact O-CD1 3.32Å; K5-L9 WeakPolarHBondContact O-CD1 3.02Å; K5-L9 WeakPolarHBondContact O-CG 3.37Å; K5-L9 PolarHBondContact O-N 3.48Å; K5-L9 VanDerWaalsContact O-N 3.07Å; K5-P85 PolarHBondContact NZ-O 3.26Å; K5-Y86 HydrophobicContact CB-CD1 4.28Å; K5-Y86 HydrophobicContact CD-CD1 3.94Å; K5-Y86 HydrophobicContact CD-CG 4.46Å; K5-Y86 WeakPolarHBondContact CD-O 3.39Å; K5-Y86 HydrophobicContact CG-CD1 4.36Å; K5-Y86 VanDerWaalsContact NZ-CA 3.35Å; K5-Y86 PolarHBondContact NZ-O 3.39Å |
| 6 | I | 91.4 | Very high | 89.8 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -33.5 | -168.8 | -168.2 | 63.4 | 0 | 0 | 0 | 112.5 | V2 E3 L9 T10 V28 I31 L50 | V2-I6 HydrophobicContact CG1-CD1 4.27Å; V2-I6 PolarHBondContact O-N 2.97Å; E3-I6 VanDerWaalsContact O-CG2 3.31Å; E3-I6 WeakPolarHBondContact O-CG2 3.06Å; I6-L9 PolarHBondContact O-N 2.84Å; I6-T10 VanDerWaalsContact O-CB 3.31Å; I6-T10 WeakPolarHBondContact O-CB 3.41Å; I6-T10 PolarHBondContact O-N 2.87Å; I6-T10 PolarHBondContact O-OG1 3.4Å; I6-V28 HydrophobicContact CD1-CG1 4.18Å; I6-V28 HydrophobicContact CD1-CG2 3.82Å; I6-V28 HydrophobicContact CG1-CB 4.41Å; I6-V28 HydrophobicContact CG1-CG1 4.2Å; I6-V28 HydrophobicContact CG1-CG2 3.86Å; I6-I31 HydrophobicContact CB-CD1 4.22Å; I6-I31 HydrophobicContact CD1-CD1 3.89Å; I6-I31 HydrophobicContact CG1-CD1 3.87Å; I6-L50 HydrophobicContact CD1-CD1 3.73Å; I6-L50 HydrophobicContact CD1-CD2 4.16Å |
| 7 | E | 90.8 | Very high | 90 | Very high | 166 Ų | 166 | 64.2 Ų | 64.2 | 78% | 0.776 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.6 | -53.2 | 176.2 | -63.3 | 173.9 | -175.8 | 0 | 0 | 110.5 | K5 L9 T10 E11 | K5-E7 VanDerWaalsContact C-N 3.31Å; K5-E7 PolarHBondContact O-N 3.31Å; E7-L9 PolarHBondContact O-N 2.88Å; E7-T10 PolarHBondContact O-N 2.88Å; E7-E11 PolarHBondContact O-N 3Å |
| 8 | D | 93.1 | Very high | 90.3 | Very high | 67 Ų | 67 | 65.1 Ų | 65.1 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.9 | -47.6 | -61.5 | 0 | 0 | 0 | 112.3 | K5 T10 E11 I12 Y86 | K5-D8 PolarHBondContact O-N 3.48Å; D8-T10 VanDerWaalsContact C-N 3.28Å; D8-T10 PolarHBondContact O-N 3.11Å; D8-E11 PolarHBondContact O-N 3.29Å; D8-I12 WeakPolarHBondContact O-CG1 3.48Å; D8-I12 PolarHBondContact O-N 2.72Å; D8-I12 VanDerWaalsContact O-N 3.14Å; D8-Y86 HydrophobicContact CB-CD1 3.67Å; D8-Y86 HydrophobicContact CB-CE1 3.19Å; D8-Y86 VanDerWaalsContact CG-CE1 3.43Å; D8-Y86 WeakPolarHBondContact OD2-CE1 3.33Å |
| 9 | L | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -33.6 | -178.9 | -67.7 | 163.5 | 0 | 0 | 0 | 111.4 | V2 K5 I6 E7 L13 F83 Y86 Y87 | V2-L9 HydrophobicContact CG1-CD1 4.03Å; K5-L9 HydrophobicContact CB-CD1 4.09Å; K5-L9 HydrophobicContact CB-CG 4.47Å; K5-L9 WeakPolarHBondContact O-CB 3.48Å; K5-L9 VanDerWaalsContact O-CD1 3.32Å; K5-L9 WeakPolarHBondContact O-CD1 3.02Å; K5-L9 WeakPolarHBondContact O-CG 3.37Å; K5-L9 PolarHBondContact O-N 3.48Å; K5-L9 VanDerWaalsContact O-N 3.07Å; I6-L9 PolarHBondContact O-N 2.84Å; E7-L9 PolarHBondContact O-N 2.88Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.24Å; L9-L13 VanDerWaalsContact O-N 3.15Å; L9-F83 HydrophobicContact CB-CE1 4.33Å; L9-F83 HydrophobicContact CB-CZ 4.19Å; L9-F83 HydrophobicContact CD2-CD1 3.58Å; L9-F83 HydrophobicContact CD2-CD2 3.9Å; L9-F83 HydrophobicContact CD2-CE1 3.56Å; L9-F83 HydrophobicContact CD2-CE2 3.86Å; L9-F83 HydrophobicContact CD2-CG 3.74Å; L9-F83 HydrophobicContact CD2-CZ 3.69Å; L9-Y86 HydrophobicContact CD2-CG 4.09Å; L9-Y87 HydrophobicContact CD1-CE1 3.59Å; L9-Y87 HydrophobicContact CD2-CE1 3.92Å; L9-Y87 HydrophobicContact CG-CE1 4.43Å |
| 10 | T | 93.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.4 | -39 | 175.9 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | I6 E7 D8 I12 L13 D14 V26 V28 | I6-T10 VanDerWaalsContact O-CB 3.31Å; I6-T10 WeakPolarHBondContact O-CB 3.41Å; I6-T10 PolarHBondContact O-N 2.87Å; I6-T10 PolarHBondContact O-OG1 3.4Å; E7-T10 PolarHBondContact O-N 2.88Å; D8-T10 VanDerWaalsContact C-N 3.28Å; D8-T10 PolarHBondContact O-N 3.11Å; T10-I12 VanDerWaalsContact C-N 3.28Å; T10-I12 PolarHBondContact O-N 3.03Å; T10-L13 PolarHBondContact O-N 2.91Å; T10-D14 WeakPolarHBondContact O-CB 3.34Å; T10-D14 PolarHBondContact O-N 2.91Å; T10-V26 HydrophobicContact CG2-CB 4.12Å; T10-V26 HydrophobicContact CG2-CG1 4.25Å; T10-V28 HydrophobicContact CG2-CG2 4.5Å; T10-V28 WeakPolarHBondContact OG1-CG2 3.48Å |
| 11 | E | 94.2 | Very high | 90.5 | Very high | 115 Ų | 115 | 67.4 Ų | 67.4 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 174.4 | -163.4 | -147.3 | 112 | 0 | 0 | 112.2 | E7 D8 D14 R15 | E7-E11 PolarHBondContact O-N 3Å; D8-E11 PolarHBondContact O-N 3.29Å; E11-D14 WeakPolarHBondContact O-CB 3.32Å; E11-R15 PolarHBondContact O-N 2.84Å; E11-R15 VanDerWaalsContact O-N 3.12Å; E11-R15 IonicContact OE1-NH2 3.64Å; E11-R15 PolarHBondContact OE1-NH2 2.79Å |
| 12 | I | 93.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 174.6 | -66.4 | 161.9 | 0 | 0 | 0 | 110.6 | D8 T10 R15 Y16 D82 F83 Y86 | D8-I12 WeakPolarHBondContact O-CG1 3.48Å; D8-I12 PolarHBondContact O-N 2.72Å; D8-I12 VanDerWaalsContact O-N 3.14Å; T10-I12 VanDerWaalsContact C-N 3.28Å; T10-I12 PolarHBondContact O-N 3.03Å; I12-R15 WeakPolarHBondContact O-CB 3.29Å; I12-R15 PolarHBondContact O-N 2.58Å; I12-Y16 HydrophobicContact CG2-CD2 3.95Å; I12-Y16 HydrophobicContact CG2-CE2 3.73Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 3.09Å; I12-D82 HydrophobicContact CD1-CB 4.31Å; I12-D82 HydrophobicContact CG2-CB 3.76Å; I12-F83 HydrophobicContact CB-CD1 4.49Å; I12-F83 HydrophobicContact CB-CE1 3.95Å; I12-F83 HydrophobicContact CD1-CD1 4.09Å; I12-F83 HydrophobicContact CD1-CE1 4.21Å; I12-F83 HydrophobicContact CG2-CD1 4.01Å; I12-F83 HydrophobicContact CG2-CE1 3.67Å; I12-Y86 HydrophobicContact CD1-CD2 3.93Å; I12-Y86 HydrophobicContact CD1-CE2 3.52Å |
| 13 | L | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.3 | -67.8 | 168.8 | 0 | 0 | 0 | 111.9 | L9 T10 R15 Y16 V17 V26 L72 I79 F83 L286 | L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.24Å; L9-L13 VanDerWaalsContact O-N 3.15Å; T10-L13 PolarHBondContact O-N 2.91Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 3.44Å; L13-Y16 PolarHBondContact O-N 3.03Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 2.88Å; L13-V26 HydrophobicContact CB-CB 4.44Å; L13-V26 HydrophobicContact CB-CG1 4.27Å; L13-V26 HydrophobicContact CB-CG2 4.05Å; L13-V26 HydrophobicContact CD1-CG1 4.49Å; L13-L72 HydrophobicContact CD2-CD2 3.75Å; L13-I79 HydrophobicContact CD2-CG2 4.16Å; L13-F83 HydrophobicContact CD1-CZ 4.22Å; L13-F83 HydrophobicContact CD2-CZ 4.1Å; L13-F83 HydrophobicContact CG-CE1 4.49Å; L13-F83 HydrophobicContact CG-CZ 3.96Å; L13-L286 HydrophobicContact CD1-CD1 4Å; L13-L286 HydrophobicContact CD2-CD1 4.29Å |
| 14 | D | 94.9 | Very high | 92.7 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.1 | -52.6 | 171.9 | -92 | -15.4 | 0 | 0 | 0 | 110.4 | T10 E11 Y16 V17 Q18 K25 V26 | T10-D14 WeakPolarHBondContact O-CB 3.34Å; T10-D14 PolarHBondContact O-N 2.91Å; E11-D14 WeakPolarHBondContact O-CB 3.32Å; D14-Y16 PolarHBondContact O-N 3.23Å; D14-V17 PolarHBondContact O-N 3.02Å; D14-Q18 VanDerWaalsContact O-CB 3.27Å; D14-Q18 WeakPolarHBondContact O-CB 3.31Å; D14-Q18 WeakPolarHBondContact O-CG 3.24Å; D14-Q18 PolarHBondContact O-N 2.99Å; D14-K25 WeakPolarHBondContact OD1-CA 3.38Å; D14-V26 WeakPolarHBondContact OD1-CB 3.48Å; D14-V26 PolarHBondContact OD1-N 2.95Å |
| 15 | R | 94.6 | Very high | 93.1 | Very high | 103 Ų | 103 | 57.7 Ų | 57.7 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55 | -48.7 | 179.5 | -164 | -174.7 | -55.2 | 142 | 4.9 | 112.2 | E11 I12 L13 V17 Q18 E19 D82 | E11-R15 PolarHBondContact O-N 2.84Å; E11-R15 VanDerWaalsContact O-N 3.12Å; E11-R15 IonicContact OE1-NH2 3.64Å; E11-R15 PolarHBondContact OE1-NH2 2.79Å; I12-R15 WeakPolarHBondContact O-CB 3.29Å; I12-R15 PolarHBondContact O-N 2.58Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 3.44Å; R15-V17 PolarHBondContact O-N 3.46Å; R15-Q18 PolarHBondContact O-N 2.84Å; R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 2.87Å; R15-E19 VanDerWaalsContact O-N 3.11Å; R15-D82 IonicContact NH1-OD2 2.66Å; R15-D82 PolarHBondContact NH1-OD2 2.67Å |
| 16 | Y | 93.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 55 Ų | 55 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.8 | -29.6 | -177.8 | -77.3 | -64.6 | 0 | 0 | 0 | 114.4 | I12 L13 D14 K75 D78 I79 D82 | I12-Y16 HydrophobicContact CG2-CD2 3.95Å; I12-Y16 HydrophobicContact CG2-CE2 3.73Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 3.09Å; L13-Y16 PolarHBondContact O-N 3.03Å; D14-Y16 PolarHBondContact O-N 3.23Å; Y16-K75 HydrophobicContact CD1-CB 4.29Å; Y16-K75 HydrophobicContact CD1-CD 3.58Å; Y16-K75 HydrophobicContact CE1-CD 4.26Å; Y16-K75 HydrophobicContact CG-CD 4.42Å; Y16-K75 PolarHBondContact O-NZ 3.36Å; Y16-K75 VanDerWaalsContact O-NZ 3.15Å; Y16-D78 HydrophobicContact CE1-CB 4.26Å; Y16-D78 WeakPolarHBondContact OH-CB 3.34Å; Y16-D78 PolarHBondContact OH-O 3.43Å; Y16-I79 HydrophobicContact CD1-CG1 4.41Å; Y16-I79 HydrophobicContact CD2-CB 4.44Å; Y16-I79 HydrophobicContact CD2-CD1 4.33Å; Y16-I79 HydrophobicContact CD2-CG1 3.4Å; Y16-I79 HydrophobicContact CE2-CB 4.24Å; Y16-I79 HydrophobicContact CE2-CG1 3.56Å; Y16-I79 HydrophobicContact CG-CD1 4.42Å; Y16-I79 HydrophobicContact CG-CG1 3.85Å; Y16-D82 PolarHBondContact OH-OD2 2.87Å |
| 17 | V | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -81.9 | -37 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | L13 D14 R15 E19 Q20 I21 A24 V26 A54 I63 L68 L72 | L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 2.88Å; D14-V17 PolarHBondContact O-N 3.02Å; R15-V17 PolarHBondContact O-N 3.46Å; V17-E19 VanDerWaalsContact C-N 3.28Å; V17-E19 PolarHBondContact O-N 3.15Å; V17-Q20 WeakPolarHBondContact O-CA 3.16Å; V17-Q20 WeakPolarHBondContact O-CB 3.49Å; V17-Q20 PolarHBondContact O-N 2.93Å; V17-I21 PolarHBondContact O-N 2.99Å; V17-A24 HydrophobicContact CG1-CB 3.86Å; V17-V26 HydrophobicContact CB-CG2 4.32Å; V17-V26 HydrophobicContact CG2-CG2 3.92Å; V17-A54 HydrophobicContact CG1-CB 4.3Å; V17-I63 HydrophobicContact CG1-CD1 4.12Å; V17-L68 HydrophobicContact CG1-CD1 4.27Å; V17-L68 HydrophobicContact CG2-CD1 3.66Å; V17-L72 HydrophobicContact CG2-CD2 4.09Å |
| 18 | Q | 94.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.8 | -30 | 176.3 | -74.7 | 170.7 | 20.1 | 0 | 0 | 113 | D14 R15 Q20 I21 A24 | D14-Q18 VanDerWaalsContact O-CB 3.27Å; D14-Q18 WeakPolarHBondContact O-CB 3.31Å; D14-Q18 WeakPolarHBondContact O-CG 3.24Å; D14-Q18 PolarHBondContact O-N 2.99Å; R15-Q18 PolarHBondContact O-N 2.84Å; Q18-Q20 PolarHBondContact O-N 3.17Å; Q18-I21 WeakPolarHBondContact CA-O 3.32Å; Q18-I21 CarbonylContact O-C 3.51Å; Q18-A24 WeakPolarHBondContact CG-O 3.43Å; Q18-A24 PolarHBondContact NE2-O 3.44Å |
| 19 | E | 93 | Very high | 93.4 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13 | 167.8 | -79.1 | 179.4 | -176.4 | 0 | 0 | 113.9 | R15 V17 K75 | R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 2.87Å; R15-E19 VanDerWaalsContact O-N 3.11Å; V17-E19 VanDerWaalsContact C-N 3.28Å; V17-E19 PolarHBondContact O-N 3.15Å; E19-K75 IonicContact OE2-NZ 2.92Å; E19-K75 PolarHBondContact OE2-NZ 2.95Å |
| 20 | Q | 91.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -41.1 | 177.1 | -53.8 | -64.5 | -97.8 | 0 | 0 | 111.7 | V17 Q18 F71 | V17-Q20 WeakPolarHBondContact O-CA 3.16Å; V17-Q20 WeakPolarHBondContact O-CB 3.49Å; V17-Q20 PolarHBondContact O-N 2.93Å; Q18-Q20 PolarHBondContact O-N 3.17Å; Q20-F71 HydrophobicContact CB-CD1 4.07Å; Q20-F71 HydrophobicContact CB-CD2 4.27Å; Q20-F71 HydrophobicContact CB-CE1 4.05Å; Q20-F71 HydrophobicContact CB-CE2 4.25Å; Q20-F71 HydrophobicContact CB-CG 4.2Å; Q20-F71 HydrophobicContact CB-CZ 4.15Å; Q20-F71 HydrophobicContact CG-CB 4.28Å; Q20-F71 HydrophobicContact CG-CD1 3.75Å; Q20-F71 HydrophobicContact CG-CD2 4.45Å; Q20-F71 HydrophobicContact CG-CE1 4.17Å; Q20-F71 HydrophobicContact CG-CG 3.92Å |
| 21 | I | 91.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 56 Ų | 56 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -128.7 | 98.6 | 179.5 | -60.7 | 177.5 | 0 | 0 | 0 | 108.2 | V17 Q18 G23 A24 D56 I63 F71 | V17-I21 PolarHBondContact O-N 2.99Å; Q18-I21 WeakPolarHBondContact CA-O 3.32Å; Q18-I21 CarbonylContact O-C 3.51Å; I21-G23 PolarHBondContact O-N 3.17Å; I21-A24 HydrophobicContact CB-CB 3.96Å; I21-A24 HydrophobicContact CG2-CB 3.96Å; I21-A24 WeakPolarHBondContact O-CB 3.46Å; I21-A24 PolarHBondContact O-N 3.05Å; I21-D56 HydrophobicContact CG2-CB 4.04Å; I21-D56 WeakPolarHBondContact CG2-OD1 3.35Å; I21-I63 HydrophobicContact CD1-CD1 3.69Å; I21-I63 HydrophobicContact CD1-CG1 3.76Å; I21-I63 HydrophobicContact CD1-CG2 4.08Å; I21-F71 HydrophobicContact CD1-CE2 3.89Å; I21-F71 HydrophobicContact CD1-CZ 4.34Å; I21-F71 HydrophobicContact CG1-CE2 4.37Å |
| 22 | P | 93.3 | Very high | 93 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 122.8 | -173.4 | -29 | 36.5 | 0 | 0 | 0 | 113.4 | ||
| 23 | G | 90.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 1.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I21 P57 | I21-G23 PolarHBondContact O-N 3.17Å; G23-P57 WeakPolarHBondContact O-CD 3.19Å; G23-P57 WeakPolarHBondContact O-CG 3.31Å |
| 24 | A | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -57.7 | 148.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V17 Q18 I21 I55 I63 | V17-A24 HydrophobicContact CG1-CB 3.86Å; Q18-A24 WeakPolarHBondContact CG-O 3.43Å; Q18-A24 PolarHBondContact NE2-O 3.44Å; I21-A24 HydrophobicContact CB-CB 3.96Å; I21-A24 HydrophobicContact CG2-CB 3.96Å; I21-A24 WeakPolarHBondContact O-CB 3.46Å; I21-A24 PolarHBondContact O-N 3.05Å; A24-I55 CarbonylContact C-O 3.58Å; A24-I55 VanDerWaalsContact CA-O 3.24Å; A24-I55 WeakPolarHBondContact CA-O 3.39Å; A24-I63 HydrophobicContact CB-CD1 3.85Å | ||
| 25 | K | 95.2 | Very high | 92.5 | Very high | 125 Ų | 125 | 57.8 Ų | 57.8 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.6 | 179.6 | -173.6 | 176.8 | -179.5 | -177.5 | 0 | 112 | D14 A54 I55 | D14-K25 WeakPolarHBondContact OD1-CA 3.38Å; K25-A54 CarbonylContact O-C 3.58Å; K25-A54 VanDerWaalsContact O-CA 3.26Å; K25-A54 WeakPolarHBondContact O-CA 3.46Å; K25-I55 PolarHBondContact N-O 2.91Å; K25-I55 PolarHBondContact O-N 2.84Å |
| 26 | V | 94.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.7 | 171.8 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | T10 L13 D14 V17 V52 Y53 A54 | T10-V26 HydrophobicContact CG2-CB 4.12Å; T10-V26 HydrophobicContact CG2-CG1 4.25Å; L13-V26 HydrophobicContact CB-CB 4.44Å; L13-V26 HydrophobicContact CB-CG1 4.27Å; L13-V26 HydrophobicContact CB-CG2 4.05Å; L13-V26 HydrophobicContact CD1-CG1 4.49Å; D14-V26 WeakPolarHBondContact OD1-CB 3.48Å; D14-V26 PolarHBondContact OD1-N 2.95Å; V17-V26 HydrophobicContact CB-CG2 4.32Å; V17-V26 HydrophobicContact CG2-CG2 3.92Å; V26-V52 HydrophobicContact CG1-CB 4.11Å; V26-V52 HydrophobicContact CG1-CG1 4.14Å; V26-Y53 CarbonylContact C-O 3.21Å; V26-Y53 WeakPolarHBondContact CA-O 3.18Å; V26-A54 HydrophobicContact CG2-CB 4.18Å |
| 27 | V | 93.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.2 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | V52 Y53 I55 | V27-V52 VanDerWaalsContact O-CA 3.3Å; V27-V52 WeakPolarHBondContact O-CA 3.32Å; V27-Y53 HydrophobicContact CB-CD1 4.42Å; V27-Y53 HydrophobicContact CB-CD2 4.22Å; V27-Y53 HydrophobicContact CB-CE1 3.98Å; V27-Y53 HydrophobicContact CB-CE2 3.76Å; V27-Y53 HydrophobicContact CG1-CE1 3.94Å; V27-Y53 HydrophobicContact CG1-CE2 4.22Å; V27-Y53 WeakPolarHBondContact CG1-OH 3.48Å; V27-Y53 HydrophobicContact CG2-CE2 4.05Å; V27-Y53 PolarHBondContact N-O 2.92Å; V27-Y53 PolarHBondContact O-N 2.78Å; V27-I55 HydrophobicContact CG2-CG1 4.44Å |
| 28 | V | 93.7 | Very high | 91.1 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 26% | 0.255 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.4 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | I6 T10 I31 L50 V52 | I6-V28 HydrophobicContact CD1-CG1 4.18Å; I6-V28 HydrophobicContact CD1-CG2 3.82Å; I6-V28 HydrophobicContact CG1-CB 4.41Å; I6-V28 HydrophobicContact CG1-CG1 4.2Å; I6-V28 HydrophobicContact CG1-CG2 3.86Å; T10-V28 HydrophobicContact CG2-CG2 4.5Å; T10-V28 WeakPolarHBondContact OG1-CG2 3.48Å; V28-I31 HydrophobicContact CG1-CD1 4.3Å; V28-I31 HydrophobicContact CG1-CG1 3.96Å; V28-L50 HydrophobicContact CG1-CD1 3.57Å; V28-L50 HydrophobicContact CG2-CD1 4.23Å; V28-V52 HydrophobicContact CG2-CG1 3.95Å |
| 29 | E | 90.9 | Very high | 90.5 | Very high | 104 Ų | 104 | 64.2 Ų | 64.2 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -53.8 | 176 | 179 | 79.3 | 171.6 | 0 | 0 | 110.7 | T51 Y53 M283 | E29-T51 HydrophobicContact CB-CG2 4.35Å; E29-T51 PolarHBondContact N-O 3.31Å; E29-Y53 HydrophobicContact CB-CE1 4.48Å; E29-M283 HydrophobicContact CB-CE 3.89Å; E29-M283 HydrophobicContact CG-CE 3.43Å; E29-M283 VanDerWaalsContact CG-CE 3.43Å; E29-M283 HydrophobicContact CG-SD 4.33Å; E29-M283 WeakPolarHBondContact OE1-CE 3.32Å; E29-M283 WeakPolarHBondContact OE2-CE 3.46Å |
| 30 | S | 88.8 | Confident | 90.1 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 145.5 | -166.2 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | T51 | S30-T51 PolarHBondContact O-N 2.97Å; S30-T51 VanDerWaalsContact OG-CB 3.25Å; S30-T51 WeakPolarHBondContact OG-CB 3.42Å; S30-T51 PolarHBondContact OG-OG1 2.95Å |
| 31 | I | 92.1 | Very high | 89.7 | Confident | 62 Ų | 62 | 61 Ų | 61 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.5 | 178.9 | -48.4 | -179.6 | 0 | 0 | 0 | 107.2 | V2 E3 I6 V28 C48 D49 L50 | V2-I31 HydrophobicContact CB-CG2 4.45Å; V2-I31 HydrophobicContact CG1-CG2 4.43Å; E3-I31 HydrophobicContact CB-CD1 4.12Å; E3-I31 HydrophobicContact CG-CD1 4.46Å; I6-I31 HydrophobicContact CB-CD1 4.22Å; I6-I31 HydrophobicContact CD1-CD1 3.89Å; I6-I31 HydrophobicContact CG1-CD1 3.87Å; V28-I31 HydrophobicContact CG1-CD1 4.3Å; V28-I31 HydrophobicContact CG1-CG1 3.96Å; I31-C48 WeakPolarHBondContact CG2-SG 3.38Å; I31-D49 WeakPolarHBondContact CA-O 3.45Å; I31-L50 HydrophobicContact CG1-CD1 4.06Å |
| 32 | G | 90.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C48 D49 | G32-C48 CarbonylContact O-C 3.57Å; G32-C48 WeakPolarHBondContact O-CA 3.41Å; G32-C48 PolarHBondContact O-SG 2.76Å; G32-C48 VanDerWaalsContact O-SG 3.42Å; G32-D49 PolarHBondContact N-O 3.09Å; G32-D49 PolarHBondContact O-N 3.25Å |
| 33 | A | 90.9 | Very high | 89.5 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 149.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R35 E43 Y45 | A33-R35 PolarHBondContact O-N 2.94Å; A33-E43 HydrophobicContact CB-CB 4.16Å; A33-Y45 HydrophobicContact CB-CD1 3.86Å; A33-Y45 HydrophobicContact CB-CD2 3.87Å; A33-Y45 HydrophobicContact CB-CE1 3.98Å; A33-Y45 HydrophobicContact CB-CE2 4Å; A33-Y45 HydrophobicContact CB-CG 3.81Å |
| 34 | R | 92.1 | Very high | 89.6 | Confident | 50 Ų | 50 | 63 Ų | 63 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 109.9 | -177.7 | -176.2 | -170 | -176.2 | -175.8 | 6.5 | 111.4 | H36 D44 K47 E95 V287 | R34-H36 PolarHBondContact O-ND1 3.05Å; R34-D44 HydrophobicContact CB-CB 4.26Å; R34-D44 PolarHBondContact N-O 2.93Å; R34-D44 PolarHBondContact O-N 3.36Å; R34-K47 HydrophobicContact CB-CB 3.65Å; R34-K47 HydrophobicContact CG-CB 4.37Å; R34-K47 PolarHBondContact N-O 2.7Å; R34-E95 IonicContact CZ-OE1 4Å; R34-E95 IonicContact NE-OE1 2.96Å; R34-E95 VanDerWaalsContact NH2-CD 3.33Å; R34-E95 IonicContact NH2-OE1 3.97Å; R34-E95 PolarHBondContact NH2-OE1 2.84Å; R34-E95 IonicContact NH2-OE2 3.73Å; R34-V287 HydrophobicContact CG-CG1 4.02Å; R34-V287 VanDerWaalsContact NE-CG1 3.33Å |
| 35 | R | 90.1 | Very high | 89.4 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.4 | 174.4 | -65.6 | -77.7 | 173.9 | -165.7 | -12.7 | 111.2 | A33 F40 L42 E43 D49 R97 | A33-R35 PolarHBondContact O-N 2.94Å; R35-F40 HydrophobicContact CB-CB 4.08Å; R35-F40 VanDerWaalsContact CD-O 3.3Å; R35-F40 WeakPolarHBondContact CD-O 3.34Å; R35-L42 CarbonylContact C-O 3.47Å; R35-L42 VanDerWaalsContact CA-O 3.3Å; R35-L42 WeakPolarHBondContact CA-O 3.45Å; R35-E43 VanDerWaalsContact CZ-CD 3.49Å; R35-E43 VanDerWaalsContact CZ-CG 3.45Å; R35-E43 IonicContact CZ-OE1 2.67Å; R35-E43 VanDerWaalsContact NH1-CD 3.33Å; R35-E43 IonicContact NH1-OE1 3.89Å; R35-E43 PolarHBondContact NH1-OE1 2.89Å; R35-E43 IonicContact NH2-OE1 2.69Å; R35-E43 PolarHBondContact NH2-OE1 3.34Å; R35-E43 IonicContact NH2-OE2 3.12Å; R35-D49 WeakPolarHBondContact CB-OD2 3.4Å; R35-D49 WeakPolarHBondContact CG-OD2 3.34Å; R35-D49 PolarHBondContact N-OD2 3.3Å; R35-R97 VanDerWaalsContact O-CZ 3.29Å; R35-R97 PolarHBondContact O-NH1 3.14Å; R35-R97 PolarHBondContact O-NH2 3.21Å |
| 36 | H | 87.7 | Confident | 89.1 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | -179.9 | -176.8 | 69.8 | -77.5 | 0 | 0 | 0 | 112.3 | R34 F40 S41 L42 | R34-H36 PolarHBondContact O-ND1 3.05Å; H36-F40 CarbonylContact O-C 3.55Å; H36-F40 WeakPolarHBondContact O-CA 3.46Å; H36-S41 PolarHBondContact O-N 3.42Å; H36-L42 PolarHBondContact N-O 3.22Å; H36-L42 PolarHBondContact ND1-O 2.9Å; H36-L42 WeakPolarHBondContact O-CB 3.2Å; H36-L42 PolarHBondContact O-N 3.28Å |
| 37 | G | 85.1 | Confident | 89 | Confident | 43 Ų | 43 | 70.6 Ų | 70.6 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 74.1 | -169.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A39 F40 | G37-A39 PolarHBondContact O-N 2.67Å; G37-F40 PolarHBondContact O-N 2.92Å |
| 38 | D | 80.2 | Confident | 88.8 | Confident | 149 Ų | 149 | 69.4 Ų | 69.4 | 80% | 0.797 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -60.5 | 127.8 | -178.7 | -70 | -32.3 | 0 | 0 | 0 | 111.1 | F40 S41 | D38-F40 PolarHBondContact O-N 3.13Å; D38-F40 VanDerWaalsContact O-N 3.09Å; D38-S41 WeakPolarHBondContact O-CB 3.32Å; D38-S41 PolarHBondContact O-N 3.33Å; D38-S41 PolarHBondContact O-OG 2.64Å |
| 39 | A | 80.8 | Confident | 88.7 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 45.8 | 36.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G37 S41 | G37-A39 PolarHBondContact O-N 2.67Å; A39-S41 PolarHBondContact O-N 2.79Å |
| 40 | F | 83.7 | Confident | 88.8 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 55.7 | 20.1 | 175.4 | -65.3 | -59.9 | 0 | 0 | 0 | 115.6 | R35 H36 G37 D38 L42 E100 | R35-F40 HydrophobicContact CB-CB 4.08Å; R35-F40 VanDerWaalsContact CD-O 3.3Å; R35-F40 WeakPolarHBondContact CD-O 3.34Å; H36-F40 CarbonylContact O-C 3.55Å; H36-F40 WeakPolarHBondContact O-CA 3.46Å; G37-F40 PolarHBondContact O-N 2.92Å; D38-F40 PolarHBondContact O-N 3.13Å; D38-F40 VanDerWaalsContact O-N 3.09Å; F40-L42 PolarHBondContact O-N 2.76Å; F40-E100 HydrophobicContact CD2-CB 3.89Å; F40-E100 HydrophobicContact CD2-CG 3.86Å; F40-E100 HydrophobicContact CE2-CB 4.47Å |
| 41 | S | 83.9 | Confident | 89 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 54% | 0.538 | 33% | 0.331 | S | S | . | . | trans | -70.6 | -21.9 | -170.7 | 55.8 | 0 | 0 | 0 | 0 | 115.3 | H36 D38 A39 | H36-S41 PolarHBondContact O-N 3.42Å; D38-S41 WeakPolarHBondContact O-CB 3.32Å; D38-S41 PolarHBondContact O-N 3.33Å; D38-S41 PolarHBondContact O-OG 2.64Å; A39-S41 PolarHBondContact O-N 2.79Å | ||
| 42 | L | 88.6 | Confident | 89.1 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142 | -178.4 | -66.5 | 167.7 | 0 | 0 | 0 | 112.1 | R35 H36 F40 | R35-L42 CarbonylContact C-O 3.47Å; R35-L42 VanDerWaalsContact CA-O 3.3Å; R35-L42 WeakPolarHBondContact CA-O 3.45Å; H36-L42 PolarHBondContact N-O 3.22Å; H36-L42 PolarHBondContact ND1-O 2.9Å; H36-L42 WeakPolarHBondContact O-CB 3.2Å; H36-L42 PolarHBondContact O-N 3.28Å; F40-L42 PolarHBondContact O-N 2.76Å |
| 43 | E | 92.4 | Very high | 89.2 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.8 | -177.8 | -65.2 | 174.9 | -156.5 | 0 | 0 | 110.8 | A33 R35 Y45 | A33-E43 HydrophobicContact CB-CB 4.16Å; R35-E43 VanDerWaalsContact CZ-CD 3.49Å; R35-E43 VanDerWaalsContact CZ-CG 3.45Å; R35-E43 IonicContact CZ-OE1 2.67Å; R35-E43 VanDerWaalsContact NH1-CD 3.33Å; R35-E43 IonicContact NH1-OE1 3.89Å; R35-E43 PolarHBondContact NH1-OE1 2.89Å; R35-E43 IonicContact NH2-OE1 2.69Å; R35-E43 PolarHBondContact NH2-OE1 3.34Å; R35-E43 IonicContact NH2-OE2 3.12Å; E43-Y45 HydrophobicContact CB-CD2 4.2Å; E43-Y45 HydrophobicContact CB-CE2 3.8Å; E43-Y45 VanDerWaalsContact OE2-CE2 3.32Å; E43-Y45 WeakPolarHBondContact OE2-CE2 3.3Å; E43-Y45 PolarHBondContact OE2-OH 3.07Å |
| 44 | D | 91.9 | Very high | 89.4 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 105.2 | 170.1 | 173.4 | 10.9 | 0 | 0 | 0 | 109.8 | R34 T46 K47 | R34-D44 HydrophobicContact CB-CB 4.26Å; R34-D44 PolarHBondContact N-O 2.93Å; R34-D44 PolarHBondContact O-N 3.36Å; D44-T46 VanDerWaalsContact C-N 3.29Å; D44-T46 VanDerWaalsContact CG-OG1 3.27Å; D44-T46 PolarHBondContact O-N 3.43Å; D44-T46 WeakPolarHBondContact OD1-CB 3.38Å; D44-T46 PolarHBondContact OD1-N 3.03Å; D44-T46 PolarHBondContact OD1-OG1 3.35Å; D44-T46 PolarHBondContact OD2-OG1 3.23Å; D44-K47 PolarHBondContact O-N 2.85Å; D44-K47 IonicContact OD1-NZ 3.97Å; D44-K47 WeakPolarHBondContact OD2-CD 3.47Å; D44-K47 IonicContact OD2-NZ 2.72Å; D44-K47 PolarHBondContact OD2-NZ 2.84Å |
| 45 | Y | 90.6 | Very high | 89.5 | Confident | 182 Ų | 182 | 58 Ų | 58 | 71% | 0.714 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -6.4 | -179.7 | -78.7 | -96.5 | 0 | 0 | 0 | 114.5 | A33 E43 K47 | A33-Y45 HydrophobicContact CB-CD1 3.86Å; A33-Y45 HydrophobicContact CB-CD2 3.87Å; A33-Y45 HydrophobicContact CB-CE1 3.98Å; A33-Y45 HydrophobicContact CB-CE2 4Å; A33-Y45 HydrophobicContact CB-CG 3.81Å; E43-Y45 HydrophobicContact CB-CD2 4.2Å; E43-Y45 HydrophobicContact CB-CE2 3.8Å; E43-Y45 VanDerWaalsContact OE2-CE2 3.32Å; E43-Y45 WeakPolarHBondContact OE2-CE2 3.3Å; E43-Y45 PolarHBondContact OE2-OH 3.07Å; Y45-K47 VanDerWaalsContact C-N 3.26Å |
| 46 | T | 88.6 | Confident | 89.8 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -22.3 | 171.9 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | D44 | D44-T46 VanDerWaalsContact C-N 3.29Å; D44-T46 VanDerWaalsContact CG-OG1 3.27Å; D44-T46 PolarHBondContact O-N 3.43Å; D44-T46 WeakPolarHBondContact OD1-CB 3.38Å; D44-T46 PolarHBondContact OD1-N 3.03Å; D44-T46 PolarHBondContact OD1-OG1 3.35Å; D44-T46 PolarHBondContact OD2-OG1 3.23Å |
| 47 | K | 91.4 | Very high | 90 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.3 | -174.6 | -65.9 | 173.2 | -159.2 | 66.1 | 0 | 110.1 | R34 D44 Y45 L94 V288 D289 | R34-K47 HydrophobicContact CB-CB 3.65Å; R34-K47 HydrophobicContact CG-CB 4.37Å; R34-K47 PolarHBondContact N-O 2.7Å; D44-K47 PolarHBondContact O-N 2.85Å; D44-K47 IonicContact OD1-NZ 3.97Å; D44-K47 WeakPolarHBondContact OD2-CD 3.47Å; D44-K47 IonicContact OD2-NZ 2.72Å; D44-K47 PolarHBondContact OD2-NZ 2.84Å; Y45-K47 VanDerWaalsContact C-N 3.26Å; K47-L94 HydrophobicContact CD-CD1 4.27Å; K47-V288 CarbonylContact C-O 3.26Å; K47-V288 VanDerWaalsContact CA-O 3.29Å; K47-V288 WeakPolarHBondContact CA-O 3.37Å; K47-V288 VanDerWaalsContact CB-O 3.31Å; K47-V288 WeakPolarHBondContact CB-O 3.3Å; K47-D289 HydrophobicContact CD-CB 4.26Å; K47-D289 VanDerWaalsContact CE-CG 3.46Å; K47-D289 WeakPolarHBondContact CE-OD2 3.5Å; K47-D289 HydrophobicContact CG-CB 4.09Å |
| 48 | C | 90.6 | Very high | 90.2 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 14% | 0.135 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.4 | -179 | -154.9 | 0 | 0 | 0 | 0 | 110.8 | V2 I31 G32 V287 V288 | V2-C48 HydrophobicContact CB-CB 4.49Å; V2-C48 HydrophobicContact CG2-CB 3.64Å; I31-C48 WeakPolarHBondContact CG2-SG 3.38Å; G32-C48 CarbonylContact O-C 3.57Å; G32-C48 WeakPolarHBondContact O-CA 3.41Å; G32-C48 PolarHBondContact O-SG 2.76Å; G32-C48 VanDerWaalsContact O-SG 3.42Å; C48-V287 WeakPolarHBondContact O-CA 3.47Å; C48-V288 HydrophobicContact CB-CB 4.09Å; C48-V288 PolarHBondContact N-O 3.31Å; C48-V288 PolarHBondContact O-N 3.34Å |
| 49 | D | 92.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.3 | 156.4 | -92 | -27.1 | 0 | 0 | 0 | 108.5 | I31 G32 R35 R97 K285 | I31-D49 WeakPolarHBondContact CA-O 3.45Å; G32-D49 PolarHBondContact N-O 3.09Å; G32-D49 PolarHBondContact O-N 3.25Å; R35-D49 WeakPolarHBondContact CB-OD2 3.4Å; R35-D49 WeakPolarHBondContact CG-OD2 3.34Å; R35-D49 PolarHBondContact N-OD2 3.3Å; D49-R97 IonicContact OD1-CZ 3.56Å; D49-R97 IonicContact OD1-NE 2.7Å; D49-R97 IonicContact OD1-NH2 3.79Å; D49-R97 PolarHBondContact OD1-NH2 3.19Å; D49-R97 IonicContact OD2-NH2 2.64Å; D49-R97 PolarHBondContact OD2-NH2 2.82Å; D49-K285 HydrophobicContact CB-CD 4.33Å; D49-K285 HydrophobicContact CB-CG 4.43Å; D49-K285 VanDerWaalsContact CG-CE 3.42Å; D49-K285 VanDerWaalsContact CG-NZ 3.28Å; D49-K285 IonicContact OD1-NZ 2.76Å; D49-K285 WeakPolarHBondContact OD2-CE 3.46Å; D49-K285 IonicContact OD2-NZ 3.34Å; D49-K285 PolarHBondContact OD2-NZ 3.36Å |
| 50 | L | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 109.2 | 175.1 | 167.7 | 58.7 | 0 | 0 | 0 | 108.8 | V2 I6 V28 I31 V52 K285 L286 | V2-L50 HydrophobicContact CG1-CD2 4.3Å; I6-L50 HydrophobicContact CD1-CD1 3.73Å; I6-L50 HydrophobicContact CD1-CD2 4.16Å; V28-L50 HydrophobicContact CG1-CD1 3.57Å; V28-L50 HydrophobicContact CG2-CD1 4.23Å; I31-L50 HydrophobicContact CG1-CD1 4.06Å; L50-V52 HydrophobicContact CD1-CG1 4.08Å; L50-V52 HydrophobicContact CG-CG1 4.07Å; L50-K285 CarbonylContact O-C 3.55Å; L50-K285 WeakPolarHBondContact O-CA 3.44Å; L50-L286 HydrophobicContact CB-CB 4.3Å; L50-L286 HydrophobicContact CD2-CD1 4.22Å; L50-L286 PolarHBondContact N-O 3Å; L50-L286 PolarHBondContact O-N 3.06Å |
| 51 | T | 92.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.5 | 179.8 | -40.6 | 0 | 0 | 0 | 0 | 109.9 | E29 S30 M283 I284 | E29-T51 HydrophobicContact CB-CG2 4.35Å; E29-T51 PolarHBondContact N-O 3.31Å; S30-T51 PolarHBondContact O-N 2.97Å; S30-T51 VanDerWaalsContact OG-CB 3.25Å; S30-T51 WeakPolarHBondContact OG-CB 3.42Å; S30-T51 PolarHBondContact OG-OG1 2.95Å; T51-M283 HydrophobicContact CG2-CB 4.08Å; T51-M283 HydrophobicContact CG2-CG 4.26Å; T51-M283 HydrophobicContact CG2-SD 3.94Å; T51-I284 CarbonylContact C-O 3.53Å; T51-I284 WeakPolarHBondContact CA-O 3.49Å |
| 52 | V | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.4 | -177 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | V26 V27 V28 L50 I284 L286 | V26-V52 HydrophobicContact CG1-CB 4.11Å; V26-V52 HydrophobicContact CG1-CG1 4.14Å; V27-V52 VanDerWaalsContact O-CA 3.3Å; V27-V52 WeakPolarHBondContact O-CA 3.32Å; V28-V52 HydrophobicContact CG2-CG1 3.95Å; L50-V52 HydrophobicContact CD1-CG1 4.08Å; L50-V52 HydrophobicContact CG-CG1 4.07Å; V52-I284 PolarHBondContact N-O 2.98Å; V52-I284 PolarHBondContact O-N 3Å; V52-L286 HydrophobicContact CG2-CD1 4.17Å; V52-L286 HydrophobicContact CG2-CG 4.21Å |
| 53 | Y | 94.4 | Very high | 92 | Very high | 51 Ų | 51 | 54 Ų | 54 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 176 | 162 | 60.2 | -84.9 | 0 | 0 | 0 | 108.5 | V26 V27 E29 I55 A62 M283 | V26-Y53 CarbonylContact C-O 3.21Å; V26-Y53 WeakPolarHBondContact CA-O 3.18Å; V27-Y53 HydrophobicContact CB-CD1 4.42Å; V27-Y53 HydrophobicContact CB-CD2 4.22Å; V27-Y53 HydrophobicContact CB-CE1 3.98Å; V27-Y53 HydrophobicContact CB-CE2 3.76Å; V27-Y53 HydrophobicContact CG1-CE1 3.94Å; V27-Y53 HydrophobicContact CG1-CE2 4.22Å; V27-Y53 WeakPolarHBondContact CG1-OH 3.48Å; V27-Y53 HydrophobicContact CG2-CE2 4.05Å; V27-Y53 PolarHBondContact N-O 2.92Å; V27-Y53 PolarHBondContact O-N 2.78Å; E29-Y53 HydrophobicContact CB-CE1 4.48Å; Y53-I55 HydrophobicContact CD2-CD1 3.93Å; Y53-I55 HydrophobicContact CD2-CG1 4.38Å; Y53-I55 HydrophobicContact CE2-CD1 3.77Å; Y53-I55 HydrophobicContact CE2-CG1 4.11Å; Y53-A62 HydrophobicContact CD2-CB 4.39Å; Y53-M283 HydrophobicContact CD1-CE 4.3Å; Y53-M283 HydrophobicContact CD1-CG 4.21Å; Y53-M283 HydrophobicContact CE1-CE 4.48Å |
| 54 | A | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V17 K25 V26 A62 I63 L68 | V17-A54 HydrophobicContact CG1-CB 4.3Å; K25-A54 CarbonylContact O-C 3.58Å; K25-A54 VanDerWaalsContact O-CA 3.26Å; K25-A54 WeakPolarHBondContact O-CA 3.46Å; V26-A54 HydrophobicContact CG2-CB 4.18Å; A54-A62 CarbonylContact O-C 3.47Å; A54-A62 VanDerWaalsContact O-CA 3.24Å; A54-A62 WeakPolarHBondContact O-CA 3.47Å; A54-I63 HydrophobicContact CB-CD1 3.78Å; A54-I63 PolarHBondContact O-N 3.36Å; A54-L68 HydrophobicContact CB-CD1 3.89Å; A54-L68 HydrophobicContact CB-CD2 4.09Å |
| 55 | I | 94.6 | Very high | 91.8 | Very high | 58 Ų | 58 | 53 Ų | 53 | 30% | 0.297 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133 | 175.8 | -58.4 | -55.5 | 0 | 0 | 0 | 109.4 | A24 K25 V27 Y53 A62 | A24-I55 CarbonylContact C-O 3.58Å; A24-I55 VanDerWaalsContact CA-O 3.24Å; A24-I55 WeakPolarHBondContact CA-O 3.39Å; K25-I55 PolarHBondContact N-O 2.91Å; K25-I55 PolarHBondContact O-N 2.84Å; V27-I55 HydrophobicContact CG2-CG1 4.44Å; Y53-I55 HydrophobicContact CD2-CD1 3.93Å; Y53-I55 HydrophobicContact CD2-CG1 4.38Å; Y53-I55 HydrophobicContact CE2-CD1 3.77Å; Y53-I55 HydrophobicContact CE2-CG1 4.11Å; I55-A62 HydrophobicContact CD1-CB 3.84Å |
| 56 | D | 94.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.1 | 166.9 | 160.9 | 42.6 | 0 | 0 | 0 | 110.1 | I21 Q58 T59 N60 R61 I63 | I21-D56 HydrophobicContact CG2-CB 4.04Å; I21-D56 WeakPolarHBondContact CG2-OD1 3.35Å; D56-Q58 VanDerWaalsContact C-N 3.26Å; D56-Q58 PolarHBondContact O-N 2.85Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.19Å; D56-Q58 WeakPolarHBondContact OD1-CG 3.34Å; D56-Q58 PolarHBondContact OD1-N 2.85Å; D56-T59 VanDerWaalsContact OD2-CB 3.27Å; D56-T59 WeakPolarHBondContact OD2-CB 3.48Å; D56-T59 VanDerWaalsContact OD2-CG2 3.3Å; D56-T59 WeakPolarHBondContact OD2-CG2 3.49Å; D56-T59 PolarHBondContact OD2-N 2.7Å; D56-T59 PolarHBondContact OD2-OG1 3.07Å; D56-N60 VanDerWaalsContact O-CA 3.26Å; D56-N60 WeakPolarHBondContact O-CA 3.5Å; D56-N60 PolarHBondContact O-N 2.7Å; D56-R61 PolarHBondContact N-O 3.42Å; D56-I63 HydrophobicContact CB-CD1 4.24Å; D56-I63 HydrophobicContact CB-CG1 3.88Å |
| 57 | P | 92.3 | Very high | 91.9 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.9 | 178.5 | 32.3 | -39.5 | 0 | 0 | 0 | 113.9 | G23 N60 | G23-P57 WeakPolarHBondContact O-CD 3.19Å; G23-P57 WeakPolarHBondContact O-CG 3.31Å; P57-N60 PolarHBondContact O-ND2 2.93Å; P57-N60 VanDerWaalsContact O-ND2 3.09Å |
| 58 | Q | 89.6 | Confident | 91.8 | Very high | 143 Ų | 143 | 46.8 Ų | 46.8 | 67% | 0.668 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -46.6 | -179.8 | -55.7 | -175.4 | 28.7 | 0 | 0 | 110.9 | D56 | D56-Q58 VanDerWaalsContact C-N 3.26Å; D56-Q58 PolarHBondContact O-N 2.85Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.19Å; D56-Q58 WeakPolarHBondContact OD1-CG 3.34Å; D56-Q58 PolarHBondContact OD1-N 2.85Å |
| 59 | T | 90.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 53% | 0.534 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -15.8 | 174.9 | 58 | 0 | 0 | 0 | 0 | 113.9 | D56 R61 | D56-T59 VanDerWaalsContact OD2-CB 3.27Å; D56-T59 WeakPolarHBondContact OD2-CB 3.48Å; D56-T59 VanDerWaalsContact OD2-CG2 3.3Å; D56-T59 WeakPolarHBondContact OD2-CG2 3.49Å; D56-T59 PolarHBondContact OD2-N 2.7Å; D56-T59 PolarHBondContact OD2-OG1 3.07Å; T59-R61 PolarHBondContact O-N 2.8Å |
| 60 | N | 90.3 | Very high | 91.9 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 68% | 0.679 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 38.8 | -170.1 | -66.8 | -84.2 | 0 | 0 | 0 | 112.4 | D56 P57 | D56-N60 VanDerWaalsContact O-CA 3.26Å; D56-N60 WeakPolarHBondContact O-CA 3.5Å; D56-N60 PolarHBondContact O-N 2.7Å; P57-N60 PolarHBondContact O-ND2 2.93Å; P57-N60 VanDerWaalsContact O-ND2 3.09Å |
| 61 | R | 90.9 | Very high | 91.8 | Very high | 137 Ų | 137 | 57 Ų | 57 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 157.8 | -178.8 | -68.1 | -176.8 | -176.7 | -118.9 | -2.8 | 110.3 | D56 T59 W278 | D56-R61 PolarHBondContact N-O 3.42Å; T59-R61 PolarHBondContact O-N 2.8Å; R61-W278 HydrophobicContact CB-CH2 4.4Å; R61-W278 HydrophobicContact CB-CZ2 4.09Å; R61-W278 HydrophobicContact CG-CH2 3.8Å; R61-W278 HydrophobicContact CG-CZ2 3.94Å |
| 62 | A | 91.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y53 A54 I55 R282 | Y53-A62 HydrophobicContact CD2-CB 4.39Å; A54-A62 CarbonylContact O-C 3.47Å; A54-A62 VanDerWaalsContact O-CA 3.24Å; A54-A62 WeakPolarHBondContact O-CA 3.47Å; I55-A62 HydrophobicContact CD1-CB 3.84Å; A62-R282 HydrophobicContact CB-CB 4.15Å; A62-R282 WeakPolarHBondContact O-CD 3.2Å; A62-R282 PolarHBondContact O-NH1 3.07Å |
| 63 | I | 92.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 147.8 | 175 | -67.8 | 157.1 | 0 | 0 | 0 | 109.4 | V17 I21 A24 A54 D56 E67 L68 F71 R282 | V17-I63 HydrophobicContact CG1-CD1 4.12Å; I21-I63 HydrophobicContact CD1-CD1 3.69Å; I21-I63 HydrophobicContact CD1-CG1 3.76Å; I21-I63 HydrophobicContact CD1-CG2 4.08Å; A24-I63 HydrophobicContact CB-CD1 3.85Å; A54-I63 HydrophobicContact CB-CD1 3.78Å; A54-I63 PolarHBondContact O-N 3.36Å; D56-I63 HydrophobicContact CB-CD1 4.24Å; D56-I63 HydrophobicContact CB-CG1 3.88Å; I63-E67 HydrophobicContact CG2-CB 4.18Å; I63-L68 HydrophobicContact CG2-CB 4.21Å; I63-F71 HydrophobicContact CG2-CE2 4.2Å; I63-R282 WeakPolarHBondContact O-CD 3.49Å |
| 64 | D | 90.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 61 Ų | 61 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 141.9 | -179.2 | 179.2 | 54.5 | 0 | 0 | 0 | 111.9 | N66 E67 L68 | D64-N66 PolarHBondContact O-N 2.72Å; D64-N66 VanDerWaalsContact O-N 3.17Å; D64-N66 PolarHBondContact OD1-ND2 3.02Å; D64-N66 WeakPolarHBondContact OD2-CA 3.39Å; D64-N66 VanDerWaalsContact OD2-CB 3.24Å; D64-N66 WeakPolarHBondContact OD2-CB 3.45Å; D64-N66 PolarHBondContact OD2-N 2.71Å; D64-N66 PolarHBondContact OD2-ND2 2.91Å; D64-E67 HydrophobicContact CB-CB 4.41Å; D64-E67 HydrophobicContact CB-CG 4.12Å; D64-E67 PolarHBondContact O-N 3.12Å; D64-L68 PolarHBondContact O-N 3.16Å |
| 65 | R | 88.8 | Confident | 91.3 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 17% | 0.166 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.8 | -39.1 | 179.5 | -164.6 | -171.1 | 66.2 | -130.4 | -6.5 | 112 | E67 F69 T98 K281 R282 M283 I284 | R65-E67 VanDerWaalsContact C-N 3.27Å; R65-E67 PolarHBondContact O-N 3.44Å; R65-F69 WeakPolarHBondContact O-CB 3.1Å; R65-F69 PolarHBondContact O-N 3.13Å; R65-T98 PolarHBondContact NE-OG1 3.01Å; R65-K281 PolarHBondContact NH1-O 3.36Å; R65-R282 WeakPolarHBondContact CA-O 3.45Å; R65-R282 WeakPolarHBondContact CB-O 3.45Å; R65-M283 WeakPolarHBondContact CD-O 3.37Å; R65-M283 WeakPolarHBondContact CG-O 3.39Å; R65-I284 HydrophobicContact CG-CD1 4.23Å; R65-I284 HydrophobicContact CG-CG1 3.52Å; R65-I284 WeakPolarHBondContact O-CD1 3.3Å |
| 66 | N | 89.4 | Confident | 91.1 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -83.9 | -8.7 | -173.8 | -40.4 | -78.8 | 0 | 0 | 0 | 111.6 | D64 K70 | D64-N66 PolarHBondContact O-N 2.72Å; D64-N66 VanDerWaalsContact O-N 3.17Å; D64-N66 PolarHBondContact OD1-ND2 3.02Å; D64-N66 WeakPolarHBondContact OD2-CA 3.39Å; D64-N66 VanDerWaalsContact OD2-CB 3.24Å; D64-N66 WeakPolarHBondContact OD2-CB 3.45Å; D64-N66 PolarHBondContact OD2-N 2.71Å; D64-N66 PolarHBondContact OD2-ND2 2.91Å; N66-K70 WeakPolarHBondContact O-CD 3.48Å; N66-K70 WeakPolarHBondContact O-CE 3.41Å; N66-K70 VanDerWaalsContact O-CG 3.25Å; N66-K70 WeakPolarHBondContact O-CG 3.35Å; N66-K70 PolarHBondContact O-NZ 2.98Å |
| 67 | E | 91.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -90.5 | -52.4 | 169.3 | -64.5 | -179.3 | 148.4 | 0 | 0 | 110.4 | I63 D64 R65 F69 K70 F71 | I63-E67 HydrophobicContact CG2-CB 4.18Å; D64-E67 HydrophobicContact CB-CB 4.41Å; D64-E67 HydrophobicContact CB-CG 4.12Å; D64-E67 PolarHBondContact O-N 3.12Å; R65-E67 VanDerWaalsContact C-N 3.27Å; R65-E67 PolarHBondContact O-N 3.44Å; E67-F69 PolarHBondContact O-N 3.1Å; E67-K70 WeakPolarHBondContact O-CB 3.46Å; E67-K70 PolarHBondContact O-N 3.05Å; E67-F71 HydrophobicContact CB-CE2 4.01Å; E67-F71 HydrophobicContact CB-CZ 3.99Å; E67-F71 WeakPolarHBondContact O-CD2 3.46Å; E67-F71 VanDerWaalsContact O-CG 3.24Å; E67-F71 WeakPolarHBondContact O-CG 3.31Å; E67-F71 PolarHBondContact O-N 3.03Å |
| 68 | L | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -33.1 | 173.6 | -175.5 | 66.4 | 0 | 0 | 0 | 111.6 | V17 A54 I63 D64 F71 L72 I284 | V17-L68 HydrophobicContact CG1-CD1 4.27Å; V17-L68 HydrophobicContact CG2-CD1 3.66Å; A54-L68 HydrophobicContact CB-CD1 3.89Å; A54-L68 HydrophobicContact CB-CD2 4.09Å; I63-L68 HydrophobicContact CG2-CB 4.21Å; D64-L68 PolarHBondContact O-N 3.16Å; L68-F71 PolarHBondContact O-N 2.95Å; L68-L72 HydrophobicContact CD1-CD1 4.14Å; L68-L72 HydrophobicContact CD1-CG 4.28Å; L68-L72 HydrophobicContact CG-CD1 4.12Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.29Å; L68-L72 VanDerWaalsContact O-N 3.11Å; L68-I284 VanDerWaalsContact C-CD1 3.45Å; L68-I284 HydrophobicContact CB-CD1 3.7Å; L68-I284 HydrophobicContact CD2-CD1 3.92Å; L68-I284 HydrophobicContact CD2-CG1 4.31Å; L68-I284 HydrophobicContact CG-CD1 3.67Å |
| 69 | F | 91.8 | Very high | 91.1 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 31% | 0.311 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -52.2 | 171.6 | 179.8 | -83.8 | 0 | 0 | 0 | 111.1 | R65 E67 F71 L72 D73 I96 I284 | R65-F69 WeakPolarHBondContact O-CB 3.1Å; R65-F69 PolarHBondContact O-N 3.13Å; E67-F69 PolarHBondContact O-N 3.1Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 2.95Å; F69-L72 PolarHBondContact O-N 3.02Å; F69-D73 HydrophobicContact CD1-CB 4.18Å; F69-D73 HydrophobicContact CE1-CB 3.82Å; F69-D73 HydrophobicContact CZ-CB 4.13Å; F69-D73 WeakPolarHBondContact O-CB 3.38Å; F69-D73 PolarHBondContact O-N 3.45Å; F69-I96 HydrophobicContact CD2-CB 4.14Å; F69-I96 HydrophobicContact CD2-CG2 3.54Å; F69-I96 HydrophobicContact CE2-CB 3.78Å; F69-I96 HydrophobicContact CE2-CG2 3.72Å; F69-I96 WeakPolarHBondContact CE2-O 3.21Å; F69-I284 HydrophobicContact CB-CD1 3.89Å |
| 70 | K | 91.7 | Very high | 91.2 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.9 | -37.2 | -178.8 | -66.3 | 161.7 | -168.8 | 155.4 | 0 | 111.8 | N66 E67 G74 | N66-K70 WeakPolarHBondContact O-CD 3.48Å; N66-K70 WeakPolarHBondContact O-CE 3.41Å; N66-K70 VanDerWaalsContact O-CG 3.25Å; N66-K70 WeakPolarHBondContact O-CG 3.35Å; N66-K70 PolarHBondContact O-NZ 2.98Å; E67-K70 WeakPolarHBondContact O-CB 3.46Å; E67-K70 PolarHBondContact O-N 3.05Å; K70-G74 WeakPolarHBondContact O-CA 3.37Å; K70-G74 PolarHBondContact O-N 2.8Å |
| 71 | F | 91.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 179.4 | -56.1 | -28.4 | 0 | 0 | 0 | 112 | Q20 I21 I63 E67 L68 F69 | Q20-F71 HydrophobicContact CB-CD1 4.07Å; Q20-F71 HydrophobicContact CB-CD2 4.27Å; Q20-F71 HydrophobicContact CB-CE1 4.05Å; Q20-F71 HydrophobicContact CB-CE2 4.25Å; Q20-F71 HydrophobicContact CB-CG 4.2Å; Q20-F71 HydrophobicContact CB-CZ 4.15Å; Q20-F71 HydrophobicContact CG-CB 4.28Å; Q20-F71 HydrophobicContact CG-CD1 3.75Å; Q20-F71 HydrophobicContact CG-CD2 4.45Å; Q20-F71 HydrophobicContact CG-CE1 4.17Å; Q20-F71 HydrophobicContact CG-CG 3.92Å; I21-F71 HydrophobicContact CD1-CE2 3.89Å; I21-F71 HydrophobicContact CD1-CZ 4.34Å; I21-F71 HydrophobicContact CG1-CE2 4.37Å; I63-F71 HydrophobicContact CG2-CE2 4.2Å; E67-F71 HydrophobicContact CB-CE2 4.01Å; E67-F71 HydrophobicContact CB-CZ 3.99Å; E67-F71 WeakPolarHBondContact O-CD2 3.46Å; E67-F71 VanDerWaalsContact O-CG 3.24Å; E67-F71 WeakPolarHBondContact O-CG 3.31Å; E67-F71 PolarHBondContact O-N 3.03Å; L68-F71 PolarHBondContact O-N 2.95Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 2.95Å |
| 72 | L | 91.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -80.8 | -39.9 | -179.4 | -62.9 | 178.8 | 0 | 0 | 0 | 112.5 | L13 V17 L68 F69 K75 L76 I79 I96 L286 | L13-L72 HydrophobicContact CD2-CD2 3.75Å; V17-L72 HydrophobicContact CG2-CD2 4.09Å; L68-L72 HydrophobicContact CD1-CD1 4.14Å; L68-L72 HydrophobicContact CD1-CG 4.28Å; L68-L72 HydrophobicContact CG-CD1 4.12Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.29Å; L68-L72 VanDerWaalsContact O-N 3.11Å; F69-L72 PolarHBondContact O-N 3.02Å; L72-K75 CarbonylContact O-C 3.53Å; L72-K75 PolarHBondContact O-N 3.15Å; L72-L76 WeakPolarHBondContact O-CA 3.38Å; L72-L76 PolarHBondContact O-N 2.85Å; L72-I79 HydrophobicContact CB-CD1 4.44Å; L72-I79 HydrophobicContact CD2-CD1 3.95Å; L72-I79 WeakPolarHBondContact O-CD1 3.34Å; L72-I96 HydrophobicContact CB-CD1 3.58Å; L72-L286 HydrophobicContact CD1-CD2 4.31Å |
| 73 | D | 90.1 | Very high | 91.4 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 178.5 | -168.4 | 59.9 | 0 | 0 | 0 | 111 | F69 K75 L76 I96 | F69-D73 HydrophobicContact CD1-CB 4.18Å; F69-D73 HydrophobicContact CE1-CB 3.82Å; F69-D73 HydrophobicContact CZ-CB 4.13Å; F69-D73 WeakPolarHBondContact O-CB 3.38Å; F69-D73 PolarHBondContact O-N 3.45Å; D73-K75 PolarHBondContact O-N 2.89Å; D73-K75 VanDerWaalsContact O-N 3.16Å; D73-L76 WeakPolarHBondContact O-CB 3.09Å; D73-L76 PolarHBondContact O-N 2.9Å; D73-L76 VanDerWaalsContact O-N 3.13Å; D73-I96 HydrophobicContact CB-CD1 4.15Å |
| 74 | G | 90.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | K70 | K70-G74 WeakPolarHBondContact O-CA 3.37Å; K70-G74 PolarHBondContact O-N 2.8Å |
| 75 | K | 92.4 | Very high | 91.3 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 12.6 | 175.3 | -58.6 | -173.6 | -169.7 | 172 | 0 | 113.1 | Y16 E19 L72 D73 L77 D78 I79 | Y16-K75 HydrophobicContact CD1-CB 4.29Å; Y16-K75 HydrophobicContact CD1-CD 3.58Å; Y16-K75 HydrophobicContact CE1-CD 4.26Å; Y16-K75 HydrophobicContact CG-CD 4.42Å; Y16-K75 PolarHBondContact O-NZ 3.36Å; Y16-K75 VanDerWaalsContact O-NZ 3.15Å; E19-K75 IonicContact OE2-NZ 2.92Å; E19-K75 PolarHBondContact OE2-NZ 2.95Å; L72-K75 CarbonylContact O-C 3.53Å; L72-K75 PolarHBondContact O-N 3.15Å; D73-K75 PolarHBondContact O-N 2.89Å; D73-K75 VanDerWaalsContact O-N 3.16Å; K75-L77 PolarHBondContact O-N 2.66Å; K75-L77 VanDerWaalsContact O-N 3.1Å; K75-D78 PolarHBondContact O-N 2.91Å; K75-I79 HydrophobicContact CB-CD1 4.17Å; K75-I79 HydrophobicContact CB-CG1 4.47Å; K75-I79 WeakPolarHBondContact O-CG1 3.46Å; K75-I79 PolarHBondContact O-N 3.14Å |
| 76 | L | 90.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.5 | -33.6 | -172.1 | -176.8 | 60.4 | 0 | 0 | 0 | 113.2 | L72 D73 N80 I93 I96 | L72-L76 WeakPolarHBondContact O-CA 3.38Å; L72-L76 PolarHBondContact O-N 2.85Å; D73-L76 WeakPolarHBondContact O-CB 3.09Å; D73-L76 PolarHBondContact O-N 2.9Å; D73-L76 VanDerWaalsContact O-N 3.13Å; L76-N80 WeakPolarHBondContact O-CB 3.48Å; L76-N80 VanDerWaalsContact O-CG 3.24Å; L76-N80 PolarHBondContact O-N 3.31Å; L76-N80 PolarHBondContact O-ND2 2.98Å; L76-I93 HydrophobicContact CD1-CB 3.74Å; L76-I93 HydrophobicContact CD1-CD1 3.96Å; L76-I93 HydrophobicContact CD1-CG1 4.46Å; L76-I93 HydrophobicContact CD1-CG2 3.71Å; L76-I96 HydrophobicContact CD1-CD1 4.3Å; L76-I96 HydrophobicContact CD1-CG1 4.44Å |
| 77 | L | 90.9 | Very high | 91.2 | Very high | 129 Ų | 129 | 55.8 Ų | 55.8 | 68% | 0.675 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.1 | -34.9 | 178 | -168.9 | 72.6 | 0 | 0 | 0 | 112.7 | K75 K81 | K75-L77 PolarHBondContact O-N 2.66Å; K75-L77 VanDerWaalsContact O-N 3.1Å; L77-K81 WeakPolarHBondContact O-CG 3.15Å; L77-K81 PolarHBondContact O-N 2.88Å |
| 78 | D | 93.1 | Very high | 90.8 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -84.9 | -41.6 | -177.6 | -64.2 | -54.2 | 0 | 0 | 0 | 111.1 | Y16 K75 N80 K81 D82 | Y16-D78 HydrophobicContact CE1-CB 4.26Å; Y16-D78 WeakPolarHBondContact OH-CB 3.34Å; Y16-D78 PolarHBondContact OH-O 3.43Å; K75-D78 PolarHBondContact O-N 2.91Å; D78-N80 PolarHBondContact O-N 3.2Å; D78-K81 WeakPolarHBondContact O-CB 3.06Å; D78-K81 PolarHBondContact O-N 3.45Å; D78-K81 WeakPolarHBondContact OD1-CE 3.25Å; D78-K81 IonicContact OD1-NZ 3.88Å; D78-K81 PolarHBondContact OD1-NZ 3.46Å; D78-D82 PolarHBondContact O-N 2.95Å; D78-D82 VanDerWaalsContact O-N 3.07Å |
| 79 | I | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.4 | -42.4 | 167.3 | -62.7 | 161.1 | 0 | 0 | 0 | 110.3 | L13 Y16 L72 K75 K81 D82 F83 I93 | L13-I79 HydrophobicContact CD2-CG2 4.16Å; Y16-I79 HydrophobicContact CD1-CG1 4.41Å; Y16-I79 HydrophobicContact CD2-CB 4.44Å; Y16-I79 HydrophobicContact CD2-CD1 4.33Å; Y16-I79 HydrophobicContact CD2-CG1 3.4Å; Y16-I79 HydrophobicContact CE2-CB 4.24Å; Y16-I79 HydrophobicContact CE2-CG1 3.56Å; Y16-I79 HydrophobicContact CG-CD1 4.42Å; Y16-I79 HydrophobicContact CG-CG1 3.85Å; L72-I79 HydrophobicContact CB-CD1 4.44Å; L72-I79 HydrophobicContact CD2-CD1 3.95Å; L72-I79 WeakPolarHBondContact O-CD1 3.34Å; K75-I79 HydrophobicContact CB-CD1 4.17Å; K75-I79 HydrophobicContact CB-CG1 4.47Å; K75-I79 WeakPolarHBondContact O-CG1 3.46Å; K75-I79 PolarHBondContact O-N 3.14Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 3.4Å; I79-D82 PolarHBondContact O-N 3.15Å; I79-F83 HydrophobicContact CG2-CD1 4.08Å; I79-F83 HydrophobicContact CG2-CD2 4.22Å; I79-F83 HydrophobicContact CG2-CE1 3.88Å; I79-F83 HydrophobicContact CG2-CE2 4.05Å; I79-F83 HydrophobicContact CG2-CG 4.28Å; I79-F83 HydrophobicContact CG2-CZ 3.88Å; I79-F83 VanDerWaalsContact O-CB 3.32Å; I79-F83 WeakPolarHBondContact O-CB 3.3Å; I79-F83 WeakPolarHBondContact O-CD1 3.49Å; I79-F83 WeakPolarHBondContact O-CG 3.25Å; I79-F83 PolarHBondContact O-N 2.82Å; I79-I93 HydrophobicContact CG2-CD1 3.67Å |
| 80 | N | 92.1 | Very high | 89.7 | Confident | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -22 | 177.7 | -86 | -36.9 | 0 | 0 | 0 | 114.9 | L76 D78 Q84 R92 I93 | L76-N80 WeakPolarHBondContact O-CB 3.48Å; L76-N80 VanDerWaalsContact O-CG 3.24Å; L76-N80 PolarHBondContact O-N 3.31Å; L76-N80 PolarHBondContact O-ND2 2.98Å; D78-N80 PolarHBondContact O-N 3.2Å; N80-Q84 WeakPolarHBondContact O-CG 3.24Å; N80-Q84 PolarHBondContact O-NE2 3.36Å; N80-Q84 VanDerWaalsContact O-NE2 3.09Å; N80-R92 WeakPolarHBondContact OD1-CA 3.47Å; N80-R92 WeakPolarHBondContact OD1-CB 3.01Å; N80-I93 PolarHBondContact ND2-O 3.01Å; N80-I93 PolarHBondContact OD1-N 3.01Å |
| 81 | K | 92.7 | Very high | 89.4 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.6 | -50.5 | 170.7 | -65.3 | 164 | -164.7 | 167.6 | 0 | 109.8 | L77 D78 I79 F83 Q84 | L77-K81 WeakPolarHBondContact O-CG 3.15Å; L77-K81 PolarHBondContact O-N 2.88Å; D78-K81 WeakPolarHBondContact O-CB 3.06Å; D78-K81 PolarHBondContact O-N 3.45Å; D78-K81 WeakPolarHBondContact OD1-CE 3.25Å; D78-K81 IonicContact OD1-NZ 3.88Å; D78-K81 PolarHBondContact OD1-NZ 3.46Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 3.4Å; K81-F83 PolarHBondContact O-N 3.34Å; K81-Q84 WeakPolarHBondContact O-CB 3.49Å; K81-Q84 PolarHBondContact O-N 3.11Å |
| 82 | D | 92.9 | Very high | 89.3 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -26.9 | 178.4 | -79.2 | 9.5 | 0 | 0 | 0 | 111.9 | I12 R15 Y16 D78 I79 P85 Y86 | I12-D82 HydrophobicContact CD1-CB 4.31Å; I12-D82 HydrophobicContact CG2-CB 3.76Å; R15-D82 IonicContact NH1-OD2 2.66Å; R15-D82 PolarHBondContact NH1-OD2 2.67Å; Y16-D82 PolarHBondContact OH-OD2 2.87Å; D78-D82 PolarHBondContact O-N 2.95Å; D78-D82 VanDerWaalsContact O-N 3.07Å; I79-D82 PolarHBondContact O-N 3.15Å; D82-P85 WeakPolarHBondContact O-CD 3.45Å; D82-Y86 WeakPolarHBondContact O-CD2 3.24Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å |
| 83 | F | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15 | 175.1 | -79.2 | 17.9 | 0 | 0 | 0 | 114.6 | L9 I12 L13 I79 K81 Y86 Y87 I93 | L9-F83 HydrophobicContact CB-CE1 4.33Å; L9-F83 HydrophobicContact CB-CZ 4.19Å; L9-F83 HydrophobicContact CD2-CD1 3.58Å; L9-F83 HydrophobicContact CD2-CD2 3.9Å; L9-F83 HydrophobicContact CD2-CE1 3.56Å; L9-F83 HydrophobicContact CD2-CE2 3.86Å; L9-F83 HydrophobicContact CD2-CG 3.74Å; L9-F83 HydrophobicContact CD2-CZ 3.69Å; I12-F83 HydrophobicContact CB-CD1 4.49Å; I12-F83 HydrophobicContact CB-CE1 3.95Å; I12-F83 HydrophobicContact CD1-CD1 4.09Å; I12-F83 HydrophobicContact CD1-CE1 4.21Å; I12-F83 HydrophobicContact CG2-CD1 4.01Å; I12-F83 HydrophobicContact CG2-CE1 3.67Å; L13-F83 HydrophobicContact CD1-CZ 4.22Å; L13-F83 HydrophobicContact CD2-CZ 4.1Å; L13-F83 HydrophobicContact CG-CE1 4.49Å; L13-F83 HydrophobicContact CG-CZ 3.96Å; I79-F83 HydrophobicContact CG2-CD1 4.08Å; I79-F83 HydrophobicContact CG2-CD2 4.22Å; I79-F83 HydrophobicContact CG2-CE1 3.88Å; I79-F83 HydrophobicContact CG2-CE2 4.05Å; I79-F83 HydrophobicContact CG2-CG 4.28Å; I79-F83 HydrophobicContact CG2-CZ 3.88Å; I79-F83 VanDerWaalsContact O-CB 3.32Å; I79-F83 WeakPolarHBondContact O-CB 3.3Å; I79-F83 WeakPolarHBondContact O-CD1 3.49Å; I79-F83 WeakPolarHBondContact O-CG 3.25Å; I79-F83 PolarHBondContact O-N 2.82Å; K81-F83 PolarHBondContact O-N 3.34Å; F83-Y86 WeakPolarHBondContact O-CA 3.15Å; F83-Y86 PolarHBondContact O-N 3.26Å; F83-Y87 HydrophobicContact CB-CD2 4.19Å; F83-Y87 HydrophobicContact CB-CE2 4.18Å; F83-Y87 HydrophobicContact CD2-CD2 4.29Å; F83-Y87 AromaticContact CD2-CE2 3.45Å; F83-Y87 HydrophobicContact CD2-CE2 3.45Å; F83-Y87 VanDerWaalsContact CD2-CE2 3.45Å; F83-Y87 AromaticContact CD2-CZ 3.86Å; F83-Y87 HydrophobicContact CE2-CE2 4.15Å; F83-Y87 HydrophobicContact CG-CE2 4.19Å; F83-Y87 PolarHBondContact O-N 3.44Å; F83-I93 HydrophobicContact CD2-CD1 3.93Å; F83-I93 HydrophobicContact CD2-CG1 3.95Å; F83-I93 HydrophobicContact CE2-CD1 3.67Å; F83-I93 HydrophobicContact CE2-CG1 3.99Å |
| 84 | Q | 89.9 | Confident | 89.2 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.8 | -45.7 | 179.8 | -70.9 | -54.7 | -69.3 | 0 | 0 | 113.7 | N80 K81 Y86 G88 G91 | N80-Q84 WeakPolarHBondContact O-CG 3.24Å; N80-Q84 PolarHBondContact O-NE2 3.36Å; N80-Q84 VanDerWaalsContact O-NE2 3.09Å; K81-Q84 WeakPolarHBondContact O-CB 3.49Å; K81-Q84 PolarHBondContact O-N 3.11Å; Q84-Y86 PolarHBondContact O-N 3.11Å; Q84-Y86 VanDerWaalsContact O-N 3.15Å; Q84-G88 WeakPolarHBondContact O-CA 3.43Å; Q84-G88 PolarHBondContact O-N 3.24Å; Q84-G91 PolarHBondContact NE2-O 3.43Å |
| 85 | P | 90.1 | Very high | 89 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 60% | 0.597 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.2 | -19.1 | 177.3 | -20 | 34 | 0 | 0 | 0 | 113.3 | K5 D82 | K5-P85 PolarHBondContact NZ-O 3.26Å; D82-P85 WeakPolarHBondContact O-CD 3.45Å |
| 86 | Y | 89.2 | Confident | 88.9 | Confident | 64 Ų | 64 | 55 Ų | 55 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -90 | -44.9 | -176.5 | -61.2 | -82.5 | 0 | 0 | 0 | 111.5 | K5 D8 L9 I12 D82 F83 Q84 | K5-Y86 HydrophobicContact CB-CD1 4.28Å; K5-Y86 HydrophobicContact CD-CD1 3.94Å; K5-Y86 HydrophobicContact CD-CG 4.46Å; K5-Y86 WeakPolarHBondContact CD-O 3.39Å; K5-Y86 HydrophobicContact CG-CD1 4.36Å; K5-Y86 VanDerWaalsContact NZ-CA 3.35Å; K5-Y86 PolarHBondContact NZ-O 3.39Å; D8-Y86 HydrophobicContact CB-CD1 3.67Å; D8-Y86 HydrophobicContact CB-CE1 3.19Å; D8-Y86 VanDerWaalsContact CG-CE1 3.43Å; D8-Y86 WeakPolarHBondContact OD2-CE1 3.33Å; L9-Y86 HydrophobicContact CD2-CG 4.09Å; I12-Y86 HydrophobicContact CD1-CD2 3.93Å; I12-Y86 HydrophobicContact CD1-CE2 3.52Å; D82-Y86 WeakPolarHBondContact O-CD2 3.24Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; F83-Y86 WeakPolarHBondContact O-CA 3.15Å; F83-Y86 PolarHBondContact O-N 3.26Å; Q84-Y86 PolarHBondContact O-N 3.11Å; Q84-Y86 VanDerWaalsContact O-N 3.15Å |
| 87 | Y | 86.1 | Confident | 88.7 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 7% | 0.071 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -93.5 | -24.2 | -178.8 | -60 | -25 | 0 | 0 | 0 | 115.1 | V2 L9 F83 V288 | V2-Y87 HydrophobicContact CB-CE1 4.49Å; V2-Y87 HydrophobicContact CG2-CE1 3.82Å; L9-Y87 HydrophobicContact CD1-CE1 3.59Å; L9-Y87 HydrophobicContact CD2-CE1 3.92Å; L9-Y87 HydrophobicContact CG-CE1 4.43Å; F83-Y87 HydrophobicContact CB-CD2 4.19Å; F83-Y87 HydrophobicContact CB-CE2 4.18Å; F83-Y87 HydrophobicContact CD2-CD2 4.29Å; F83-Y87 AromaticContact CD2-CE2 3.45Å; F83-Y87 HydrophobicContact CD2-CE2 3.45Å; F83-Y87 VanDerWaalsContact CD2-CE2 3.45Å; F83-Y87 AromaticContact CD2-CZ 3.86Å; F83-Y87 HydrophobicContact CE2-CE2 4.15Å; F83-Y87 HydrophobicContact CG-CE2 4.19Å; F83-Y87 PolarHBondContact O-N 3.44Å; Y87-V288 HydrophobicContact CD2-CG1 3.7Å; Y87-V288 HydrophobicContact CE1-CG1 4.27Å; Y87-V288 HydrophobicContact CE2-CB 4.26Å; Y87-V288 HydrophobicContact CE2-CG1 3.28Å; Y87-V288 HydrophobicContact CE2-CG2 3.92Å; Y87-V288 HydrophobicContact CG-CG1 4.34Å |
| 88 | G | 84.3 | Confident | 88.4 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | trans | 90.2 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q84 G90 G91 | Q84-G88 WeakPolarHBondContact O-CA 3.43Å; Q84-G88 PolarHBondContact O-N 3.24Å; G88-G90 PolarHBondContact O-N 2.81Å; G88-G91 PolarHBondContact O-N 2.82Å | ||
| 89 | E | 80.6 | Confident | 87.7 | Confident | 192 Ų | 192 | 48.8 Ų | 48.8 | 90% | 0.897 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123.9 | -174.9 | -63.6 | 178.9 | -177.7 | 0 | 0 | 112.1 | G91 | E89-G91 VanDerWaalsContact C-N 3.27Å; E89-G91 PolarHBondContact O-N 2.78Å |
| 90 | G | 78.8 | Confident | 86.5 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G88 Y292 | G88-G90 PolarHBondContact O-N 2.81Å; G90-Y292 WeakPolarHBondContact O-CB 3.43Å |
| 91 | G | 84.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -73.7 | 124.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q84 G88 E89 D289 | Q84-G91 PolarHBondContact NE2-O 3.43Å; G88-G91 PolarHBondContact O-N 2.82Å; E89-G91 VanDerWaalsContact C-N 3.27Å; E89-G91 PolarHBondContact O-N 2.78Å; G91-D289 CarbonylContact C-O 3.59Å; G91-D289 VanDerWaalsContact CA-O 3.24Å; G91-D289 WeakPolarHBondContact CA-O 3.42Å | ||
| 92 | R | 89.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158 | -176.1 | 68.4 | -177.7 | -171.6 | -148.9 | -0.1 | 113.1 | N80 L94 D289 Y292 | N80-R92 WeakPolarHBondContact OD1-CA 3.47Å; N80-R92 WeakPolarHBondContact OD1-CB 3.01Å; R92-L94 HydrophobicContact CG-CD2 4.37Å; R92-L94 PolarHBondContact O-N 3.3Å; R92-D289 PolarHBondContact N-O 3.19Å; R92-D289 PolarHBondContact O-N 3.12Å; R92-Y292 VanDerWaalsContact NH2-CE2 3.25Å |
| 93 | I | 91.5 | Very high | 82 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 124.8 | 161.8 | -51.3 | 170.2 | 0 | 0 | 0 | 107.9 | L76 I79 N80 F83 L286 V287 V288 | L76-I93 HydrophobicContact CD1-CB 3.74Å; L76-I93 HydrophobicContact CD1-CD1 3.96Å; L76-I93 HydrophobicContact CD1-CG1 4.46Å; L76-I93 HydrophobicContact CD1-CG2 3.71Å; I79-I93 HydrophobicContact CG2-CD1 3.67Å; N80-I93 PolarHBondContact ND2-O 3.01Å; N80-I93 PolarHBondContact OD1-N 3.01Å; F83-I93 HydrophobicContact CD2-CD1 3.93Å; F83-I93 HydrophobicContact CD2-CG1 3.95Å; F83-I93 HydrophobicContact CE2-CD1 3.67Å; F83-I93 HydrophobicContact CE2-CG1 3.99Å; I93-L286 HydrophobicContact CG2-CD2 4.47Å; I93-V287 CarbonylContact C-O 3.37Å; I93-V287 WeakPolarHBondContact CA-O 2.85Å; I93-V287 WeakPolarHBondContact CG2-O 3.08Å; I93-V288 HydrophobicContact CG1-CG2 4.34Å |
| 94 | L | 88.1 | Confident | 80.3 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -50.6 | 176.9 | -67.4 | -175.9 | 0 | 0 | 0 | 112.7 | K47 R92 V287 D289 | K47-L94 HydrophobicContact CD-CD1 4.27Å; R92-L94 HydrophobicContact CG-CD2 4.37Å; R92-L94 PolarHBondContact O-N 3.3Å; L94-V287 HydrophobicContact CB-CG1 4.29Å; L94-V287 HydrophobicContact CD1-CG1 4.24Å; L94-V287 PolarHBondContact N-O 3.21Å; L94-D289 HydrophobicContact CD1-CB 3.69Å; L94-D289 HydrophobicContact CD2-CB 3.74Å; L94-D289 HydrophobicContact CG-CB 3.55Å |
| 95 | E | 87.8 | Confident | 78.7 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 147.9 | -170.9 | 61 | 179 | 179.9 | 0 | 0 | 109.4 | R34 V287 | R34-E95 IonicContact CZ-OE1 4Å; R34-E95 IonicContact NE-OE1 2.96Å; R34-E95 VanDerWaalsContact NH2-CD 3.33Å; R34-E95 IonicContact NH2-OE1 3.97Å; R34-E95 PolarHBondContact NH2-OE1 2.84Å; R34-E95 IonicContact NH2-OE2 3.73Å; E95-V287 HydrophobicContact CG-CB 3.52Å; E95-V287 HydrophobicContact CG-CG1 4.03Å; E95-V287 HydrophobicContact CG-CG2 3.61Å; E95-V287 PolarHBondContact O-N 2.7Å |
| 96 | I | 90.7 | Very high | 76.9 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.2 | 168.8 | -55 | -166 | 0 | 0 | 0 | 106.4 | F69 L72 D73 L76 I284 L286 | F69-I96 HydrophobicContact CD2-CB 4.14Å; F69-I96 HydrophobicContact CD2-CG2 3.54Å; F69-I96 HydrophobicContact CE2-CB 3.78Å; F69-I96 HydrophobicContact CE2-CG2 3.72Å; F69-I96 WeakPolarHBondContact CE2-O 3.21Å; L72-I96 HydrophobicContact CB-CD1 3.58Å; D73-I96 HydrophobicContact CB-CD1 4.15Å; L76-I96 HydrophobicContact CD1-CD1 4.3Å; L76-I96 HydrophobicContact CD1-CG1 4.44Å; I96-I284 HydrophobicContact CG2-CG2 3.26Å; I96-L286 HydrophobicContact CB-CD2 4.38Å; I96-L286 HydrophobicContact CD1-CD2 3.8Å; I96-L286 HydrophobicContact CG1-CD2 3.72Å; I96-L286 HydrophobicContact CG2-CD2 4.11Å |
| 97 | R | 86.2 | Confident | 75.3 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.3 | -176 | 66.5 | -173.4 | -178.1 | 153.9 | -2.8 | 113.2 | R35 D49 K285 V287 | R35-R97 VanDerWaalsContact O-CZ 3.29Å; R35-R97 PolarHBondContact O-NH1 3.14Å; R35-R97 PolarHBondContact O-NH2 3.21Å; D49-R97 IonicContact OD1-CZ 3.56Å; D49-R97 IonicContact OD1-NE 2.7Å; D49-R97 IonicContact OD1-NH2 3.79Å; D49-R97 PolarHBondContact OD1-NH2 3.19Å; D49-R97 IonicContact OD2-NH2 2.64Å; D49-R97 PolarHBondContact OD2-NH2 2.82Å; R97-K285 HydrophobicContact CG-CB 3.92Å; R97-K285 WeakPolarHBondContact CG-O 3.38Å; R97-K285 PolarHBondContact N-O 3.47Å; R97-K285 WeakPolarHBondContact O-CB 3.47Å; R97-K285 PolarHBondContact O-N 2.78Å; R97-V287 HydrophobicContact CG-CG2 4.17Å |
| 98 | T | 84.1 | Confident | 73.6 | Confident | 50 Ų | 50 | 65 Ų | 65 | 31% | 0.307 | 33% | 0.325 | S | S | . | . | trans | -75 | 135.7 | 172.1 | -64.1 | 0 | 0 | 0 | 0 | 109.4 | R65 V102 T103 | R65-T98 PolarHBondContact NE-OG1 3.01Å; T98-V102 HydrophobicContact CG2-CB 3.94Å; T98-V102 HydrophobicContact CG2-CG2 4.34Å; T98-T103 HydrophobicContact CG2-CG2 4.47Å | ||
| 99 | P | 78.6 | Confident | 72.1 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | trans | -66.7 | 147.5 | 176.6 | 24.3 | -30.8 | 0 | 0 | 0 | 112.4 | A101 V102 M283 | P99-A101 VanDerWaalsContact C-N 3.3Å; P99-A101 PolarHBondContact O-N 2.97Å; P99-V102 HydrophobicContact CG-CG2 4.17Å; P99-V102 PolarHBondContact O-N 2.94Å; P99-M283 WeakPolarHBondContact CD-O 3.5Å; P99-M283 HydrophobicContact CG-CB 3.82Å | ||
| 100 | E | 66.9 | Low | 70.9 | Confident | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -53.4 | -42.3 | -172.1 | 178 | -178.1 | 175.3 | 0 | 0 | 113.5 | F40 V102 T103 S104 | F40-E100 HydrophobicContact CD2-CB 3.89Å; F40-E100 HydrophobicContact CD2-CG 3.86Å; F40-E100 HydrophobicContact CE2-CB 4.47Å; E100-V102 PolarHBondContact O-N 3.17Å; E100-V102 VanDerWaalsContact O-N 3.14Å; E100-T103 WeakPolarHBondContact O-CA 3.17Å; E100-T103 WeakPolarHBondContact O-CB 3.27Å; E100-T103 PolarHBondContact O-N 3.49Å; E100-T103 PolarHBondContact O-OG1 3.12Å; E100-S104 PolarHBondContact O-N 2.9Å |
| 101 | A | 62.5 | Low | 69.8 | Low | 37 Ų | 37 | 67 Ų | 67 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -50.9 | -40.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P99 T103 S104 I105 | P99-A101 VanDerWaalsContact C-N 3.3Å; P99-A101 PolarHBondContact O-N 2.97Å; A101-T103 VanDerWaalsContact C-N 3.28Å; A101-T103 PolarHBondContact O-N 3.37Å; A101-S104 WeakPolarHBondContact CA-OG 3.48Å; A101-S104 PolarHBondContact O-N 3.17Å; A101-S104 PolarHBondContact O-OG 3.17Å; A101-I105 WeakPolarHBondContact O-CB 3.5Å; A101-I105 WeakPolarHBondContact O-CD1 3.48Å; A101-I105 WeakPolarHBondContact O-CG1 3.17Å; A101-I105 PolarHBondContact O-N 2.93Å |
| 102 | V | 61.3 | Low | 68.7 | Low | 22 Ų | 22 | 73.1 Ų | 73.1 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70 | -28.2 | 179.6 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | T98 P99 E100 K106 R280 K281 | T98-V102 HydrophobicContact CG2-CB 3.94Å; T98-V102 HydrophobicContact CG2-CG2 4.34Å; P99-V102 HydrophobicContact CG-CG2 4.17Å; P99-V102 PolarHBondContact O-N 2.94Å; E100-V102 PolarHBondContact O-N 3.17Å; E100-V102 VanDerWaalsContact O-N 3.14Å; V102-K106 PolarHBondContact O-N 3.48Å; V102-R280 WeakPolarHBondContact CG2-O 3.09Å; V102-K281 HydrophobicContact CG1-CG 4.18Å |
| 103 | T | 60.6 | Low | 67.8 | Low | 56 Ų | 56 | 70 Ų | 70 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.2 | -29.9 | 174.3 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | T98 E100 A101 K107 | T98-T103 HydrophobicContact CG2-CG2 4.47Å; E100-T103 WeakPolarHBondContact O-CA 3.17Å; E100-T103 WeakPolarHBondContact O-CB 3.27Å; E100-T103 PolarHBondContact O-N 3.49Å; E100-T103 PolarHBondContact O-OG1 3.12Å; A101-T103 VanDerWaalsContact C-N 3.28Å; A101-T103 PolarHBondContact O-N 3.37Å; T103-K107 WeakPolarHBondContact O-CG 3.02Å; T103-K107 PolarHBondContact O-N 2.79Å |
| 104 | S | 54.1 | Low | 66.9 | Low | 51 Ų | 51 | 80.7 Ų | 80.7 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -83.2 | -31.8 | 175.9 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | E100 A101 K106 K107 R108 | E100-S104 PolarHBondContact O-N 2.9Å; A101-S104 WeakPolarHBondContact CA-OG 3.48Å; A101-S104 PolarHBondContact O-N 3.17Å; A101-S104 PolarHBondContact O-OG 3.17Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 2.95Å; S104-K107 CarbonylContact O-C 3.48Å; S104-K107 WeakPolarHBondContact O-CB 3.09Å; S104-K107 PolarHBondContact O-N 2.9Å; S104-K107 VanDerWaalsContact O-N 3.11Å; S104-R108 PolarHBondContact O-N 3.24Å |
| 105 | I | 56.5 | Low | 66.5 | Low | 38 Ų | 38 | 83 Ų | 83 | 20% | 0.195 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 167.7 | -70.6 | 159.4 | 0 | 0 | 0 | 110 | A101 K107 R108 G109 E277 | A101-I105 WeakPolarHBondContact O-CB 3.5Å; A101-I105 WeakPolarHBondContact O-CD1 3.48Å; A101-I105 WeakPolarHBondContact O-CG1 3.17Å; A101-I105 PolarHBondContact O-N 2.93Å; I105-K107 VanDerWaalsContact C-N 3.31Å; I105-K107 PolarHBondContact O-N 3.37Å; I105-R108 PolarHBondContact O-N 3.06Å; I105-R108 VanDerWaalsContact O-N 3.12Å; I105-G109 PolarHBondContact O-N 2.94Å; I105-E277 WeakPolarHBondContact CD1-OE1 3.44Å; I105-E277 VanDerWaalsContact CG1-OE1 3.28Å; I105-E277 WeakPolarHBondContact CG1-OE1 3.28Å |
| 106 | K | 54 | Low | 66.2 | Low | 124 Ų | 124 | 84.2 Ų | 84.2 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.7 | -44.2 | 173.6 | -179.6 | 169.3 | 180 | 169.6 | 0 | 112 | V102 S104 R108 G109 E110 | V102-K106 PolarHBondContact O-N 3.48Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 2.95Å; K106-R108 VanDerWaalsContact C-N 3.31Å; K106-R108 PolarHBondContact O-N 3.47Å; K106-G109 PolarHBondContact O-N 3.02Å; K106-E110 WeakPolarHBondContact CE-OE1 3.36Å; K106-E110 WeakPolarHBondContact CE-OE2 3.44Å; K106-E110 IonicContact NZ-OE1 2.7Å; K106-E110 PolarHBondContact NZ-OE1 3.18Å; K106-E110 VanDerWaalsContact NZ-OE1 3.12Å; K106-E110 IonicContact NZ-OE2 2.7Å; K106-E110 PolarHBondContact O-N 2.9Å |
| 107 | K | 55.3 | Low | 65.9 | Low | 156 Ų | 156 | 85.1 Ų | 85.1 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.8 | -29 | 177.9 | -71.6 | 176.1 | 179.2 | 177.6 | 0 | 113.6 | T103 S104 I105 | T103-K107 WeakPolarHBondContact O-CG 3.02Å; T103-K107 PolarHBondContact O-N 2.79Å; S104-K107 CarbonylContact O-C 3.48Å; S104-K107 WeakPolarHBondContact O-CB 3.09Å; S104-K107 PolarHBondContact O-N 2.9Å; S104-K107 VanDerWaalsContact O-N 3.11Å; I105-K107 VanDerWaalsContact C-N 3.31Å; I105-K107 PolarHBondContact O-N 3.37Å |
| 108 | R | 49.4 | Very low | 66 | Low | 216 Ų | 216 | 85.9 Ų | 85.9 | 82% | 0.815 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.4 | -35.5 | 172.7 | -80.8 | -170.8 | 170.4 | -160.8 | -1 | 112.8 | S104 I105 K106 E110 | S104-R108 PolarHBondContact O-N 3.24Å; I105-R108 PolarHBondContact O-N 3.06Å; I105-R108 VanDerWaalsContact O-N 3.12Å; K106-R108 VanDerWaalsContact C-N 3.31Å; K106-R108 PolarHBondContact O-N 3.47Å; R108-E110 PolarHBondContact O-N 2.88Å |
| 109 | G | 52.1 | Low | 66.4 | Low | 72 Ų | 72 | 89.3 Ų | 89.3 | 74% | 0.742 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.6 | -18.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I105 K106 | I105-G109 PolarHBondContact O-N 2.94Å; K106-G109 PolarHBondContact O-N 3.02Å |
| 110 | E | 56.5 | Low | 66.9 | Low | 134 Ų | 134 | 94 Ų | 94 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -106.8 | -6 | -174.2 | -67.9 | 178.7 | 160.7 | 0 | 0 | 113.9 | K106 R108 L112 | K106-E110 WeakPolarHBondContact CE-OE1 3.36Å; K106-E110 WeakPolarHBondContact CE-OE2 3.44Å; K106-E110 IonicContact NZ-OE1 2.7Å; K106-E110 PolarHBondContact NZ-OE1 3.18Å; K106-E110 VanDerWaalsContact NZ-OE1 3.12Å; K106-E110 IonicContact NZ-OE2 2.7Å; K106-E110 PolarHBondContact O-N 2.9Å; R108-E110 PolarHBondContact O-N 2.88Å; E110-L112 PolarHBondContact O-N 3.41Å; E110-L112 VanDerWaalsContact O-N 3.08Å |
| 111 | S | 55.4 | Low | 68.1 | Low | 86 Ų | 86 | 92.5 Ų | 92.5 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | trans | -86.4 | 68.5 | -179.6 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | G113 | S111-G113 PolarHBondContact O-N 2.91Å; S111-G113 VanDerWaalsContact O-N 3.14Å | ||
| 112 | L | 61.4 | Low | 69.6 | Low | 128 Ų | 128 | 95.5 Ų | 95.5 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | trans | -50.4 | 118.8 | 161.9 | -84.9 | 161.5 | 0 | 0 | 0 | 108.8 | E110 E116 | E110-L112 PolarHBondContact O-N 3.41Å; E110-L112 VanDerWaalsContact O-N 3.08Å; L112-E116 WeakPolarHBondContact CA-OE2 3.26Å; L112-E116 HydrophobicContact CD2-CB 4.43Å | ||
| 113 | G | 71.4 | Confident | 71.2 | Confident | 24 Ų | 24 | 96.7 Ų | 96.7 | 25% | 0.247 | 53% | 0.53 | C | S | . | . | trans | -64.3 | 146.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S111 T115 E116 G117 | S111-G113 PolarHBondContact O-N 2.91Å; S111-G113 VanDerWaalsContact O-N 3.14Å; G113-T115 PolarHBondContact O-N 3.11Å; G113-E116 PolarHBondContact N-OE2 3.12Å; G113-E116 WeakPolarHBondContact O-CA 3.37Å; G113-E116 WeakPolarHBondContact O-CB 3.34Å; G113-E116 PolarHBondContact O-N 3.35Å; G113-G117 PolarHBondContact O-N 3.36Å | ||
| 114 | Y | 72.9 | Confident | 72.9 | Confident | 228 Ų | 228 | 100.2 Ų | 100.2 | 89% | 0.894 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -55.5 | -27.4 | 172.1 | -72.4 | -77.3 | 0 | 0 | 0 | 112.3 | A118 | Y114-A118 VanDerWaalsContact O-CB 3.3Å; Y114-A118 WeakPolarHBondContact O-CB 3.32Å; Y114-A118 PolarHBondContact O-N 3.45Å |
| 115 | T | 78.3 | Confident | 74.9 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 66% | 0.656 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -44.1 | 170.4 | 42.7 | 0 | 0 | 0 | 0 | 113.2 | G113 A118 L119 | G113-T115 PolarHBondContact O-N 3.11Å; T115-A118 PolarHBondContact O-N 3.49Å; T115-L119 WeakPolarHBondContact O-CG 3.46Å; T115-L119 PolarHBondContact O-N 3.35Å; T115-L119 VanDerWaalsContact O-N 3.11Å |
| 116 | E | 81 | Confident | 76.7 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.9 | -43 | 178.1 | -58.6 | 174.5 | 141.5 | 0 | 0 | 110.5 | L112 G113 A118 L119 L120 | L112-E116 WeakPolarHBondContact CA-OE2 3.26Å; L112-E116 HydrophobicContact CD2-CB 4.43Å; G113-E116 PolarHBondContact N-OE2 3.12Å; G113-E116 WeakPolarHBondContact O-CA 3.37Å; G113-E116 WeakPolarHBondContact O-CB 3.34Å; G113-E116 PolarHBondContact O-N 3.35Å; E116-A118 VanDerWaalsContact C-N 3.27Å; E116-A118 PolarHBondContact O-N 3.34Å; E116-L119 PolarHBondContact O-N 3.49Å; E116-L119 VanDerWaalsContact O-N 3.15Å; E116-L120 WeakPolarHBondContact O-CG 3.4Å; E116-L120 PolarHBondContact O-N 3.26Å |
| 117 | G | 84.4 | Confident | 78.7 | Confident | 35 Ų | 35 | 103.9 Ų | 103.9 | 36% | 0.361 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.1 | -37.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G113 A121 | G113-G117 PolarHBondContact O-N 3.36Å; G117-A121 VanDerWaalsContact O-CB 3.28Å; G117-A121 WeakPolarHBondContact O-CB 3.47Å; G117-A121 PolarHBondContact O-N 3.24Å |
| 118 | A | 89.9 | Confident | 80.7 | Confident | 49 Ų | 49 | 100.9 Ų | 100.9 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y114 T115 E116 A121 L122 | Y114-A118 VanDerWaalsContact O-CB 3.3Å; Y114-A118 WeakPolarHBondContact O-CB 3.32Å; Y114-A118 PolarHBondContact O-N 3.45Å; T115-A118 PolarHBondContact O-N 3.49Å; E116-A118 VanDerWaalsContact C-N 3.27Å; E116-A118 PolarHBondContact O-N 3.34Å; A118-A121 PolarHBondContact O-N 3.05Å; A118-L122 WeakPolarHBondContact O-CB 3.14Å; A118-L122 WeakPolarHBondContact O-CG 3.29Å; A118-L122 PolarHBondContact O-N 2.83Å |
| 119 | L | 91.1 | Very high | 82.9 | Confident | 122 Ų | 122 | 94.6 Ų | 94.6 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 174.7 | -68.9 | 172.9 | 0 | 0 | 0 | 111.7 | T115 E116 L122 A123 | T115-L119 WeakPolarHBondContact O-CG 3.46Å; T115-L119 PolarHBondContact O-N 3.35Å; T115-L119 VanDerWaalsContact O-N 3.11Å; E116-L119 PolarHBondContact O-N 3.49Å; E116-L119 VanDerWaalsContact O-N 3.15Å; L119-L122 PolarHBondContact O-N 3.38Å; L119-A123 PolarHBondContact O-N 3.27Å |
| 120 | L | 90.3 | Very high | 84.9 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 174.4 | -69.2 | 172.1 | 0 | 0 | 0 | 111.8 | E116 A123 F124 | E116-L120 WeakPolarHBondContact O-CG 3.4Å; E116-L120 PolarHBondContact O-N 3.26Å; L120-A123 PolarHBondContact O-N 3.21Å; L120-F124 WeakPolarHBondContact O-CB 3.39Å; L120-F124 PolarHBondContact O-N 3.15Å |
| 121 | A | 91.3 | Very high | 86.8 | Confident | 49 Ų | 49 | 92.1 Ų | 92.1 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G117 A118 F124 I125 | G117-A121 VanDerWaalsContact O-CB 3.28Å; G117-A121 WeakPolarHBondContact O-CB 3.47Å; G117-A121 PolarHBondContact O-N 3.24Å; A118-A121 PolarHBondContact O-N 3.05Å; A121-F124 PolarHBondContact O-N 3.14Å; A121-I125 WeakPolarHBondContact O-CB 3.39Å; A121-I125 WeakPolarHBondContact O-CD1 3.24Å; A121-I125 VanDerWaalsContact O-CG1 3.23Å; A121-I125 WeakPolarHBondContact O-CG1 3.19Å; A121-I125 PolarHBondContact O-N 2.7Å |
| 122 | L | 94 | Very high | 88.6 | Confident | 99 Ų | 99 | 91.2 Ų | 91.2 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.1 | -75.3 | 171 | 0 | 0 | 0 | 112 | A118 L119 F124 I125 I126 | A118-L122 WeakPolarHBondContact O-CB 3.14Å; A118-L122 WeakPolarHBondContact O-CG 3.29Å; A118-L122 PolarHBondContact O-N 2.83Å; L119-L122 PolarHBondContact O-N 3.38Å; L122-F124 VanDerWaalsContact C-N 3.33Å; L122-F124 PolarHBondContact O-N 2.83Å; L122-I125 PolarHBondContact O-N 2.8Å; L122-I126 VanDerWaalsContact O-CG1 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.12Å; L122-I126 PolarHBondContact O-N 3Å |
| 123 | A | 94.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 87.6 Ų | 87.6 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L119 L120 I126 I127 | L119-A123 PolarHBondContact O-N 3.27Å; L120-A123 PolarHBondContact O-N 3.21Å; A123-I126 PolarHBondContact O-N 2.98Å; A123-I127 VanDerWaalsContact O-CG1 3.31Å; A123-I127 WeakPolarHBondContact O-CG1 3.3Å; A123-I127 PolarHBondContact O-N 3.4Å |
| 124 | F | 95.8 | Very high | 91.4 | Very high | 129 Ų | 129 | 91.9 Ų | 91.9 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 177.7 | -166 | -113 | 0 | 0 | 0 | 112.6 | L120 A121 L122 I127 L128 | L120-F124 WeakPolarHBondContact O-CB 3.39Å; L120-F124 PolarHBondContact O-N 3.15Å; A121-F124 PolarHBondContact O-N 3.14Å; L122-F124 VanDerWaalsContact C-N 3.33Å; L122-F124 PolarHBondContact O-N 2.83Å; F124-I127 PolarHBondContact O-N 3.36Å; F124-L128 HydrophobicContact CD1-CD1 3.72Å; F124-L128 HydrophobicContact CD1-CG 4.24Å; F124-L128 HydrophobicContact CE1-CD1 3.53Å; F124-L128 HydrophobicContact CE1-CD2 4.49Å; F124-L128 HydrophobicContact CE1-CG 4.07Å; F124-L128 HydrophobicContact CZ-CD1 4.24Å; F124-L128 HydrophobicContact CZ-CD2 4.41Å; F124-L128 HydrophobicContact CZ-CG 4.34Å; F124-L128 WeakPolarHBondContact O-CB 3.49Å; F124-L128 WeakPolarHBondContact O-CG 3.37Å; F124-L128 PolarHBondContact O-N 3.08Å |
| 125 | I | 96.2 | Very high | 92.4 | Very high | 94 Ų | 94 | 85.6 Ų | 85.6 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 173.8 | -70.3 | 163.4 | 0 | 0 | 0 | 111 | A121 L122 L128 C129 | A121-I125 WeakPolarHBondContact O-CB 3.39Å; A121-I125 WeakPolarHBondContact O-CD1 3.24Å; A121-I125 VanDerWaalsContact O-CG1 3.23Å; A121-I125 WeakPolarHBondContact O-CG1 3.19Å; A121-I125 PolarHBondContact O-N 2.7Å; L122-I125 PolarHBondContact O-N 2.8Å; I125-L128 PolarHBondContact O-N 2.89Å; I125-C129 WeakPolarHBondContact O-CB 3.01Å; I125-C129 PolarHBondContact O-N 2.78Å; I125-C129 PolarHBondContact O-SG 3.22Å; I125-C129 VanDerWaalsContact O-SG 3.37Å |
| 126 | I | 96 | Very high | 93.2 | Very high | 105 Ų | 105 | 85 Ų | 85 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 176.8 | -69.3 | 163.2 | 0 | 0 | 0 | 110.2 | L122 A123 L128 C129 C130 | L122-I126 VanDerWaalsContact O-CG1 3.28Å; L122-I126 WeakPolarHBondContact O-CG1 3.12Å; L122-I126 PolarHBondContact O-N 3Å; A123-I126 PolarHBondContact O-N 2.98Å; I126-L128 PolarHBondContact O-N 2.76Å; I126-C129 PolarHBondContact O-N 2.69Å; I126-C130 WeakPolarHBondContact O-CB 3.46Å; I126-C130 PolarHBondContact O-N 2.67Å; I126-C130 PolarHBondContact O-SG 2.69Å |
| 127 | I | 95.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 85.3 Ų | 85.3 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 178.1 | -67.8 | 163.7 | 0 | 0 | 0 | 111.1 | A123 F124 C129 C130 I131 | A123-I127 VanDerWaalsContact O-CG1 3.31Å; A123-I127 WeakPolarHBondContact O-CG1 3.3Å; A123-I127 PolarHBondContact O-N 3.4Å; F124-I127 PolarHBondContact O-N 3.36Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 PolarHBondContact O-N 3Å; I127-C130 PolarHBondContact O-N 2.75Å; I127-I131 HydrophobicContact CG2-CD1 3.83Å; I127-I131 HydrophobicContact CG2-CG1 4.45Å; I127-I131 WeakPolarHBondContact O-CG1 3.33Å; I127-I131 PolarHBondContact O-N 3.48Å |
| 128 | L | 96.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 87.5 Ų | 87.5 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -31.9 | 177.3 | -76.8 | 178.7 | 0 | 0 | 0 | 113.4 | F124 I125 I126 P132 | F124-L128 HydrophobicContact CD1-CD1 3.72Å; F124-L128 HydrophobicContact CD1-CG 4.24Å; F124-L128 HydrophobicContact CE1-CD1 3.53Å; F124-L128 HydrophobicContact CE1-CD2 4.49Å; F124-L128 HydrophobicContact CE1-CG 4.07Å; F124-L128 HydrophobicContact CZ-CD1 4.24Å; F124-L128 HydrophobicContact CZ-CD2 4.41Å; F124-L128 HydrophobicContact CZ-CG 4.34Å; F124-L128 WeakPolarHBondContact O-CB 3.49Å; F124-L128 WeakPolarHBondContact O-CG 3.37Å; F124-L128 PolarHBondContact O-N 3.08Å; I125-L128 PolarHBondContact O-N 2.89Å; I126-L128 PolarHBondContact O-N 2.76Å; L128-P132 WeakPolarHBondContact O-CD 3.46Å; L128-P132 WeakPolarHBondContact O-CG 3.49Å |
| 129 | C | 95 | Very high | 94.5 | Very high | 84 Ų | 84 | 89.2 Ų | 89.2 | 57% | 0.568 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.5 | -35.7 | 174.1 | -72.5 | 0 | 0 | 0 | 0 | 112.6 | I125 I126 I127 P132 A133 | I125-C129 WeakPolarHBondContact O-CB 3.01Å; I125-C129 PolarHBondContact O-N 2.78Å; I125-C129 PolarHBondContact O-SG 3.22Å; I125-C129 VanDerWaalsContact O-SG 3.37Å; I126-C129 PolarHBondContact O-N 2.69Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 PolarHBondContact O-N 3Å; C129-P132 WeakPolarHBondContact O-CD 3.39Å; C129-P132 WeakPolarHBondContact O-CG 3.2Å; C129-A133 WeakPolarHBondContact O-CB 3.25Å; C129-A133 PolarHBondContact O-N 3.49Å |
| 130 | C | 95.5 | Very high | 94.5 | Very high | 62 Ų | 62 | 86.7 Ų | 86.7 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | -179.2 | -75.7 | 0 | 0 | 0 | 0 | 113.2 | I126 I127 A133 I134 | I126-C130 WeakPolarHBondContact O-CB 3.46Å; I126-C130 PolarHBondContact O-N 2.67Å; I126-C130 PolarHBondContact O-SG 2.69Å; I127-C130 PolarHBondContact O-N 2.75Å; C130-A133 PolarHBondContact O-N 2.66Å; C130-I134 HydrophobicContact CB-CD1 4.46Å; C130-I134 WeakPolarHBondContact O-CB 3.17Å; C130-I134 WeakPolarHBondContact O-CD1 3.5Å; C130-I134 VanDerWaalsContact O-CG1 3.27Å; C130-I134 WeakPolarHBondContact O-CG1 3.17Å; C130-I134 PolarHBondContact O-N 2.98Å |
| 131 | I | 94.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 87.3 Ų | 87.3 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.9 | -56.4 | 179.4 | -69.1 | 163.7 | 0 | 0 | 0 | 112.6 | I127 A133 I134 L135 | I127-I131 HydrophobicContact CG2-CD1 3.83Å; I127-I131 HydrophobicContact CG2-CG1 4.45Å; I127-I131 WeakPolarHBondContact O-CG1 3.33Å; I127-I131 PolarHBondContact O-N 3.48Å; I131-A133 VanDerWaalsContact C-N 3.34Å; I131-A133 PolarHBondContact O-N 2.87Å; I131-I134 PolarHBondContact O-N 2.89Å; I131-L135 HydrophobicContact CG2-CD1 4.29Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 3.07Å |
| 132 | P | 94.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 93.1 Ų | 93.1 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 178.5 | 26.4 | -33.9 | 0 | 0 | 0 | 112.5 | L128 C129 L135 V136 | L128-P132 WeakPolarHBondContact O-CD 3.46Å; L128-P132 WeakPolarHBondContact O-CG 3.49Å; C129-P132 WeakPolarHBondContact O-CD 3.39Å; C129-P132 WeakPolarHBondContact O-CG 3.2Å; P132-L135 PolarHBondContact O-N 2.78Å; P132-V136 WeakPolarHBondContact O-CG2 3.2Å; P132-V136 PolarHBondContact O-N 3.14Å |
| 133 | A | 95.4 | Very high | 93.7 | Very high | 52 Ų | 52 | 93.1 Ų | 93.1 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C129 C130 I131 L135 V136 V137 | C129-A133 WeakPolarHBondContact O-CB 3.25Å; C129-A133 PolarHBondContact O-N 3.49Å; C130-A133 PolarHBondContact O-N 2.66Å; I131-A133 VanDerWaalsContact C-N 3.34Å; I131-A133 PolarHBondContact O-N 2.87Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.03Å; A133-V136 PolarHBondContact O-N 3.17Å; A133-V137 WeakPolarHBondContact O-CG2 3.27Å; A133-V137 PolarHBondContact O-N 3.37Å |
| 134 | I | 95.1 | Very high | 93.2 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 59% | 0.585 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 174.7 | -70 | 161.7 | 0 | 0 | 0 | 110.9 | C130 I131 V137 L138 | C130-I134 HydrophobicContact CB-CD1 4.46Å; C130-I134 WeakPolarHBondContact O-CB 3.17Å; C130-I134 WeakPolarHBondContact O-CD1 3.5Å; C130-I134 VanDerWaalsContact O-CG1 3.27Å; C130-I134 WeakPolarHBondContact O-CG1 3.17Å; C130-I134 PolarHBondContact O-N 2.98Å; I131-I134 PolarHBondContact O-N 2.89Å; I134-V137 PolarHBondContact O-N 3.48Å; I134-L138 VanDerWaalsContact O-CB 3.31Å; I134-L138 WeakPolarHBondContact O-CB 3.19Å; I134-L138 PolarHBondContact O-N 2.98Å |
| 135 | L | 94.7 | Very high | 92.5 | Very high | 97 Ų | 97 | 95.6 Ų | 95.6 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.7 | -69.4 | 172.7 | 0 | 0 | 0 | 112.2 | I131 P132 A133 L138 V139 | I131-L135 HydrophobicContact CG2-CD1 4.29Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 3.07Å; P132-L135 PolarHBondContact O-N 2.78Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.03Å; L135-L138 PolarHBondContact O-N 2.8Å; L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 WeakPolarHBondContact O-CG2 3.39Å; L135-V139 PolarHBondContact O-N 3.45Å |
| 136 | V | 93.9 | Very high | 91.7 | Very high | 95 Ų | 95 | 94.8 Ų | 94.8 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 175.5 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | P132 A133 S140 | P132-V136 WeakPolarHBondContact O-CG2 3.2Å; P132-V136 PolarHBondContact O-N 3.14Å; A133-V136 PolarHBondContact O-N 3.17Å; V136-S140 VanDerWaalsContact O-CB 3.24Å; V136-S140 WeakPolarHBondContact O-CB 3.41Å; V136-S140 PolarHBondContact O-N 2.88Å; V136-S140 PolarHBondContact O-OG 2.9Å |
| 137 | V | 95.7 | Very high | 90.3 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 62% | 0.624 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | A133 I134 S140 Y141 | A133-V137 WeakPolarHBondContact O-CG2 3.27Å; A133-V137 PolarHBondContact O-N 3.37Å; I134-V137 PolarHBondContact O-N 3.48Å; V137-S140 PolarHBondContact O-N 3.36Å; V137-Y141 VanDerWaalsContact O-CB 3.28Å; V137-Y141 WeakPolarHBondContact O-CB 3.3Å; V137-Y141 PolarHBondContact O-N 2.89Å |
| 138 | L | 93.1 | Very high | 88.9 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 179.3 | -176.5 | 65 | 0 | 0 | 0 | 112.5 | I134 L135 R142 | I134-L138 VanDerWaalsContact O-CB 3.31Å; I134-L138 WeakPolarHBondContact O-CB 3.19Å; I134-L138 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 2.8Å; L138-R142 WeakPolarHBondContact O-CG 3.48Å; L138-R142 PolarHBondContact O-N 3.31Å |
| 139 | V | 94.5 | Very high | 87.3 | Confident | 86 Ų | 86 | 96 Ų | 96 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L135 Y141 R142 Q143 | L135-V139 WeakPolarHBondContact O-CB 3.48Å; L135-V139 WeakPolarHBondContact O-CG2 3.39Å; L135-V139 PolarHBondContact O-N 3.45Å; V139-Y141 VanDerWaalsContact C-N 3.34Å; V139-Y141 PolarHBondContact O-N 2.62Å; V139-R142 PolarHBondContact O-N 2.81Å; V139-Q143 HydrophobicContact CG1-CG 4.47Å; V139-Q143 WeakPolarHBondContact O-CB 3.42Å; V139-Q143 WeakPolarHBondContact O-CG 3.26Å; V139-Q143 PolarHBondContact O-N 2.92Å |
| 140 | S | 91.1 | Very high | 85.6 | Confident | 68 Ų | 68 | 97 Ų | 97 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | V136 V137 Q143 F144 | V136-S140 VanDerWaalsContact O-CB 3.24Å; V136-S140 WeakPolarHBondContact O-CB 3.41Å; V136-S140 PolarHBondContact O-N 2.88Å; V136-S140 PolarHBondContact O-OG 2.9Å; V137-S140 PolarHBondContact O-N 3.36Å; S140-Q143 PolarHBondContact O-N 2.93Å; S140-F144 WeakPolarHBondContact O-CB 3.28Å; S140-F144 PolarHBondContact O-N 3.42Å |
| 141 | Y | 91.1 | Very high | 83.8 | Confident | 124 Ų | 124 | 97.8 Ų | 97.8 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.5 | -177.7 | -106.8 | 0 | 0 | 0 | 112 | V137 V139 F144 K145 | V137-Y141 VanDerWaalsContact O-CB 3.28Å; V137-Y141 WeakPolarHBondContact O-CB 3.3Å; V137-Y141 PolarHBondContact O-N 2.89Å; V139-Y141 VanDerWaalsContact C-N 3.34Å; V139-Y141 PolarHBondContact O-N 2.62Å; Y141-F144 PolarHBondContact O-N 3.37Å; Y141-K145 HydrophobicContact CD1-CD 4.28Å; Y141-K145 HydrophobicContact CE1-CD 3.61Å; Y141-K145 HydrophobicContact CE1-CG 4.36Å; Y141-K145 HydrophobicContact CE2-CD 4.38Å; Y141-K145 WeakPolarHBondContact O-CG 3.34Å; Y141-K145 PolarHBondContact O-N 3.38Å; Y141-K145 PolarHBondContact OH-NZ 3.09Å |
| 142 | R | 85.9 | Confident | 82.1 | Confident | 172 Ų | 172 | 96.7 Ų | 96.7 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 172.4 | -75.7 | -179.8 | 177.4 | -143.7 | 0.3 | 111.6 | L138 V139 F144 K145 V146 | L138-R142 WeakPolarHBondContact O-CG 3.48Å; L138-R142 PolarHBondContact O-N 3.31Å; V139-R142 PolarHBondContact O-N 2.81Å; R142-F144 VanDerWaalsContact C-N 3.32Å; R142-F144 PolarHBondContact O-N 2.94Å; R142-K145 PolarHBondContact O-N 2.9Å; R142-V146 WeakPolarHBondContact O-CG2 3.43Å; R142-V146 PolarHBondContact O-N 3.15Å |
| 143 | Q | 82.3 | Confident | 80.1 | Confident | 98 Ų | 98 | 100.5 Ų | 100.5 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 175.3 | -73.1 | -69.1 | -18.9 | 0 | 0 | 112.1 | V139 S140 V146 R147 | V139-Q143 HydrophobicContact CG1-CG 4.47Å; V139-Q143 WeakPolarHBondContact O-CB 3.42Å; V139-Q143 WeakPolarHBondContact O-CG 3.26Å; V139-Q143 PolarHBondContact O-N 2.92Å; S140-Q143 PolarHBondContact O-N 2.93Å; Q143-V146 PolarHBondContact O-N 3.11Å; Q143-R147 WeakPolarHBondContact O-CG 3.47Å; Q143-R147 PolarHBondContact O-N 3.36Å |
| 144 | F | 83.8 | Confident | 78.1 | Confident | 125 Ų | 125 | 101.4 Ų | 101.4 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 174.4 | 178.6 | -96.2 | 0 | 0 | 0 | 112.2 | S140 Y141 R142 V146 R147 Q148 | S140-F144 WeakPolarHBondContact O-CB 3.28Å; S140-F144 PolarHBondContact O-N 3.42Å; Y141-F144 PolarHBondContact O-N 3.37Å; R142-F144 VanDerWaalsContact C-N 3.32Å; R142-F144 PolarHBondContact O-N 2.94Å; F144-V146 PolarHBondContact O-N 2.85Å; F144-R147 PolarHBondContact O-N 3.35Å; F144-Q148 WeakPolarHBondContact O-CB 3.23Å; F144-Q148 PolarHBondContact O-N 3.48Å |
| 145 | K | 81.9 | Confident | 76 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 178.1 | -67.5 | -169.6 | 90.7 | 154.6 | 0 | 113.3 | Y141 R142 Q148 A149 | Y141-K145 HydrophobicContact CD1-CD 4.28Å; Y141-K145 HydrophobicContact CE1-CD 3.61Å; Y141-K145 HydrophobicContact CE1-CG 4.36Å; Y141-K145 HydrophobicContact CE2-CD 4.38Å; Y141-K145 WeakPolarHBondContact O-CG 3.34Å; Y141-K145 PolarHBondContact O-N 3.38Å; Y141-K145 PolarHBondContact OH-NZ 3.09Å; R142-K145 PolarHBondContact O-N 2.9Å; K145-Q148 PolarHBondContact O-N 3.09Å; K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 3.33Å |
| 146 | V | 77.8 | Confident | 74.1 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 172.9 | 171 | 0 | 0 | 0 | 0 | 110.1 | R142 Q143 F144 Q148 A149 E150 | R142-V146 WeakPolarHBondContact O-CG2 3.43Å; R142-V146 PolarHBondContact O-N 3.15Å; Q143-V146 PolarHBondContact O-N 3.11Å; F144-V146 PolarHBondContact O-N 2.85Å; V146-Q148 VanDerWaalsContact C-N 3.3Å; V146-Q148 PolarHBondContact O-N 3.31Å; V146-A149 WeakPolarHBondContact O-CB 3.47Å; V146-A149 PolarHBondContact O-N 3.23Å; V146-E150 WeakPolarHBondContact O-CG 3.28Å; V146-E150 PolarHBondContact O-N 2.87Å |
| 147 | R | 68.3 | Low | 72 | Confident | 159 Ų | 159 | 104.6 Ų | 104.6 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -38.2 | 176.1 | -69.6 | 173.3 | -175.4 | 171.5 | 1.4 | 112.4 | Q143 F144 A149 E150 C151 | Q143-R147 WeakPolarHBondContact O-CG 3.47Å; Q143-R147 PolarHBondContact O-N 3.36Å; F144-R147 PolarHBondContact O-N 3.35Å; R147-A149 VanDerWaalsContact C-N 3.34Å; R147-A149 PolarHBondContact O-N 3.16Å; R147-E150 PolarHBondContact O-N 3.29Å; R147-C151 WeakPolarHBondContact O-CB 3.35Å; R147-C151 PolarHBondContact O-N 2.95Å; R147-C151 PolarHBondContact O-SG 2.95Å |
| 148 | Q | 64.9 | Low | 69.9 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.1 | -165.9 | 179.5 | 30.7 | 0 | 0 | 111.6 | F144 K145 V146 E150 T152 | F144-Q148 WeakPolarHBondContact O-CB 3.23Å; F144-Q148 PolarHBondContact O-N 3.48Å; K145-Q148 PolarHBondContact O-N 3.09Å; V146-Q148 VanDerWaalsContact C-N 3.3Å; V146-Q148 PolarHBondContact O-N 3.31Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; Q148-T152 VanDerWaalsContact O-CB 3.27Å; Q148-T152 WeakPolarHBondContact O-CB 3.36Å; Q148-T152 PolarHBondContact O-N 2.94Å; Q148-T152 PolarHBondContact O-OG1 2.9Å |
| 149 | A | 62.8 | Low | 67.9 | Low | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -32.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K145 V146 R147 K153 | K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 3.33Å; V146-A149 WeakPolarHBondContact O-CB 3.47Å; V146-A149 PolarHBondContact O-N 3.23Å; R147-A149 VanDerWaalsContact C-N 3.34Å; R147-A149 PolarHBondContact O-N 3.16Å; A149-K153 WeakPolarHBondContact O-CG 3.46Å; A149-K153 PolarHBondContact O-N 3.24Å |
| 150 | E | 59.8 | Low | 65.7 | Low | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.7 | -46.6 | 174.2 | -69.3 | 171.2 | 160.3 | 0 | 0 | 112.1 | V146 R147 Q148 T152 K153 T154 | V146-E150 WeakPolarHBondContact O-CG 3.28Å; V146-E150 PolarHBondContact O-N 2.87Å; R147-E150 PolarHBondContact O-N 3.29Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; E150-T152 PolarHBondContact O-N 3.45Å; E150-K153 WeakPolarHBondContact O-CA 3.48Å; E150-K153 WeakPolarHBondContact O-CB 3.36Å; E150-K153 PolarHBondContact O-N 2.95Å; E150-T154 PolarHBondContact O-N 2.97Å; E150-T154 PolarHBondContact O-OG1 2.97Å |
| 151 | C | 58.7 | Low | 63.6 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 52% | 0.52 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58 | -34.1 | 170.4 | -67.9 | 0 | 0 | 0 | 0 | 112 | R147 K153 T154 A155 | R147-C151 WeakPolarHBondContact O-CB 3.35Å; R147-C151 PolarHBondContact O-N 2.95Å; R147-C151 PolarHBondContact O-SG 2.95Å; C151-K153 PolarHBondContact O-N 3.37Å; C151-T154 WeakPolarHBondContact CA-OG1 3.42Å; C151-T154 PolarHBondContact O-N 3.34Å; C151-T154 PolarHBondContact O-OG1 2.86Å; C151-A155 WeakPolarHBondContact O-CB 2.94Å; C151-A155 PolarHBondContact O-N 3.4Å |
| 152 | T | 57.5 | Low | 61.3 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -16.7 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 113.2 | Q148 E150 R156 | Q148-T152 VanDerWaalsContact O-CB 3.27Å; Q148-T152 WeakPolarHBondContact O-CB 3.36Å; Q148-T152 PolarHBondContact O-N 2.94Å; Q148-T152 PolarHBondContact O-OG1 2.9Å; E150-T152 PolarHBondContact O-N 3.45Å; T152-R156 PolarHBondContact O-NH1 3.37Å |
| 153 | K | 53.5 | Low | 59.1 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -88.3 | -44.2 | 169.7 | -70.7 | 170.8 | -179.6 | 177.2 | 0 | 111.3 | A149 E150 C151 R156 | A149-K153 WeakPolarHBondContact O-CG 3.46Å; A149-K153 PolarHBondContact O-N 3.24Å; E150-K153 WeakPolarHBondContact O-CA 3.48Å; E150-K153 WeakPolarHBondContact O-CB 3.36Å; E150-K153 PolarHBondContact O-N 2.95Å; C151-K153 PolarHBondContact O-N 3.37Å; K153-R156 PolarHBondContact O-N 3.22Å |
| 154 | T | 53.1 | Low | 56.8 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 44% | 0.436 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.8 | -34.9 | -180 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | E150 C151 R156 I157 Q158 | E150-T154 PolarHBondContact O-N 2.97Å; E150-T154 PolarHBondContact O-OG1 2.97Å; C151-T154 WeakPolarHBondContact CA-OG1 3.42Å; C151-T154 PolarHBondContact O-N 3.34Å; C151-T154 PolarHBondContact O-OG1 2.86Å; T154-R156 VanDerWaalsContact C-N 3.26Å; T154-R156 PolarHBondContact O-N 3.48Å; T154-I157 WeakPolarHBondContact O-CA 3.31Å; T154-I157 WeakPolarHBondContact O-CB 3.37Å; T154-I157 PolarHBondContact O-N 3.38Å; T154-Q158 PolarHBondContact O-N 3.2Å |
| 155 | A | 52.2 | Low | 54.6 | Low | 57 Ų | 57 | 111.7 Ų | 111.7 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.2 | -33.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C151 I157 A159 | C151-A155 WeakPolarHBondContact O-CB 2.94Å; C151-A155 PolarHBondContact O-N 3.4Å; A155-I157 PolarHBondContact O-N 2.89Å; A155-A159 WeakPolarHBondContact O-CB 3.38Å; A155-A159 PolarHBondContact O-N 3.28Å; A155-A159 VanDerWaalsContact O-N 3.17Å |
| 156 | R | 53.4 | Low | 52.5 | Low | 190 Ų | 190 | 112.9 Ų | 112.9 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68 | -21.6 | 173.2 | -75.3 | -172.9 | 172.8 | 94 | -8.9 | 113.6 | T152 K153 T154 | T152-R156 PolarHBondContact O-NH1 3.37Å; K153-R156 PolarHBondContact O-N 3.22Å; T154-R156 VanDerWaalsContact C-N 3.26Å; T154-R156 PolarHBondContact O-N 3.48Å |
| 157 | I | 51.7 | Low | 50.4 | Low | 125 Ų | 125 | 114 Ų | 114 | 64% | 0.641 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -91.5 | -39.7 | 178.5 | -59.7 | 171.5 | 0 | 0 | 0 | 110.1 | T154 A155 A159 A160 | T154-I157 WeakPolarHBondContact O-CA 3.31Å; T154-I157 WeakPolarHBondContact O-CB 3.37Å; T154-I157 PolarHBondContact O-N 3.38Å; A155-I157 PolarHBondContact O-N 2.89Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.05Å; I157-A160 PolarHBondContact O-N 3.02Å |
| 158 | Q | 51.6 | Low | 48.8 | Very low | 148 Ų | 148 | 113.1 Ų | 113.1 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72.9 | -21 | 179.6 | -72 | -177.5 | -24.1 | 0 | 0 | 113.9 | T154 A160 | T154-Q158 PolarHBondContact O-N 3.2Å; Q158-A160 PolarHBondContact O-N 3.33Å |
| 159 | A | 49.2 | Very low | 47.7 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 74% | 0.736 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -3.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A155 I157 | A155-A159 WeakPolarHBondContact O-CB 3.38Å; A155-A159 PolarHBondContact O-N 3.28Å; A155-A159 VanDerWaalsContact O-N 3.17Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.05Å |
| 160 | A | 49.7 | Very low | 46.3 | Very low | 84 Ų | 84 | 116.2 Ų | 116.2 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 6.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I157 Q158 | I157-A160 PolarHBondContact O-N 3.02Å; Q158-A160 PolarHBondContact O-N 3.33Å |
| 161 | L | 46.1 | Very low | 45.3 | Very low | 148 Ų | 148 | 117.5 Ų | 117.5 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -122.9 | 134.1 | 179.7 | -76.8 | 165.6 | 0 | 0 | 0 | 111.9 | ||
| 162 | P | 43.1 | Very low | 44.2 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 144.1 | -172.5 | 31.6 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 163 | A | 40.8 | Very low | 43.7 | Very low | 107 Ų | 107 | 121 Ų | 121 | 88% | 0.884 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 139.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 164 | A | 34 | Very low | 42.9 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 156.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 165 | K | 35.7 | Very low | 42.1 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 151.2 | -172.7 | -65.8 | 177.6 | 179.9 | 177.1 | 0 | 113.2 | ||
| 166 | P | 39.7 | Very low | 41.6 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 160.4 | 172.5 | 33.1 | -36.1 | 0 | 0 | 0 | 112.8 | ||
| 167 | A | 31.8 | Very low | 41.2 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -116.2 | 167.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 168 | V | 35.2 | Very low | 41 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -94.2 | 146.1 | -162.9 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 169 | P | 42 | Very low | 41 | Very low | 124 Ų | 124 | 120 Ų | 120 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -80.4 | 169.8 | -176.1 | 32.9 | -38.5 | 0 | 0 | 0 | 115.5 | ||||
| 170 | A | 32.6 | Very low | 40.9 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -123.1 | 159.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 171 | P | 40.3 | Very low | 40.8 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -95.8 | -176.5 | -164.7 | 38.3 | -37.8 | 0 | 0 | 0 | 116.8 | ||||
| 172 | A | 36 | Very low | 41.1 | Very low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -89.9 | 170 | -164 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 173 | P | 45.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -101.8 | 175.6 | -163.3 | 40.4 | -36.9 | 0 | 0 | 0 | 116 | ||||
| 174 | V | 37.9 | Very low | 41.3 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -142.7 | 134.5 | 175.7 | -76.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 175 | A | 36.1 | Very low | 41.8 | Very low | 111 Ų | 111 | 124 Ų | 124 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | 49.1 | 149.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 176 | A | 41.8 | Very low | 41.5 | Very low | 96 Ų | 96 | 117.7 Ų | 117.7 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -137.1 | 155 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 177 | P | 43.6 | Very low | 41.2 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 173 | 172.7 | -1.7 | 24.5 | 0 | 0 | 0 | 115.2 | ||
| 178 | P | 48.9 | Very low | 41.2 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 173 | -163.2 | 38.9 | -37.8 | 0 | 0 | 0 | 117.4 | ||
| 179 | P | 51.1 | Low | 41.5 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -104 | 159.7 | -168.6 | 39.4 | -36 | 0 | 0 | 0 | 117.4 | ||
| 180 | P | 47.3 | Very low | 40.9 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -119.1 | -173.2 | 170.8 | 47.3 | -35.4 | 0 | 0 | 0 | 112.3 | ||||
| 181 | P | 48 | Very low | 41.6 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -116.2 | 176.4 | -130.1 | 16.1 | 10.7 | 0 | 0 | 0 | 117.6 | ||||
| 182 | P | 52 | Low | 41.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 150.6 | -170.8 | 36.6 | -35.9 | 0 | 0 | 0 | 117 | ||
| 183 | P | 43.2 | Very low | 41.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 173.3 | 164.7 | 0.1 | 22 | 0 | 0 | 0 | 114.8 | ||
| 184 | P | 43.7 | Very low | 40.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 171.5 | -160.2 | -5.7 | 26.6 | 0 | 0 | 0 | 117.2 | ||
| 185 | P | 44.9 | Very low | 40.5 | Very low | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90 | 156.7 | -177.4 | 36.6 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 186 | G | 30.7 | Very low | 40.4 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 178.6 | 148.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 187 | A | 31.7 | Very low | 39.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | 61.6 | 116.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 188 | H | 33.4 | Very low | 39 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -48.3 | 152.4 | 157.1 | -62.1 | -118.1 | 0 | 0 | 0 | 113.9 | ||||
| 189 | L | 39.6 | Very low | 38.2 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -142.2 | 157.1 | 132.2 | -108.8 | 170.2 | 0 | 0 | 0 | 109.5 | ||||
| 190 | Y | 30.6 | Very low | 37 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -137.5 | 120.7 | -170.6 | 179.2 | -81.5 | 0 | 0 | 0 | 109.1 | E192 | Y190-E192 HydrophobicContact CD1-CG 4.16Å; Y190-E192 HydrophobicContact CE1-CG 3.84Å | ||
| 191 | E | 46.3 | Very low | 36.1 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -142.2 | 95.8 | 167.1 | -111.8 | 168.2 | 135.1 | 0 | 0 | 104.1 | ||||
| 192 | E | 41.6 | Very low | 35.1 | Very low | 142 Ų | 142 | 142 Ų | 142 | 66% | 0.664 | 82% | 0.82 | S | S | * | * | 61.4 | 102.7 | 96 | -68 | -146.5 | 126.7 | 0 | 0 | 112.3 | Y190 | Y190-E192 HydrophobicContact CD1-CG 4.16Å; Y190-E192 HydrophobicContact CE1-CG 3.84Å | |||
| 193 | L | 36.1 | Very low | 34 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | 71.6 | 121.6 | 91.5 | -96.7 | 77.1 | 0 | 0 | 0 | 113 | |||||
| 194 | G | 30.9 | Very low | 33.2 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 167.7 | 94.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 195 | D | 29.3 | Very low | 32.5 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -63.1 | 145.2 | 172.2 | -79.4 | -66.3 | 0 | 0 | 0 | 112.9 | ||||
| 196 | S | 32.9 | Very low | 31.7 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -159.3 | 139.7 | 147.6 | -85.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | S | 27.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 154.3 Ų | 154.3 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -111 | -179.1 | -170 | -171.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 198 | M | 29.1 | Very low | 31.7 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 78.5 | 78.5 | 163.2 | -67 | -74.4 | -77.5 | 0 | 0 | 120 | ||||
| 199 | R | 32.6 | Very low | 31.6 | Very low | 253 Ų | 253 | 156.1 Ų | 156.1 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | 177.2 | 152.6 | 130.4 | -101.1 | 162.4 | -93.8 | -138.9 | -0.1 | 110.4 | ||||
| 200 | G | 25.2 | Very low | 31.2 | Very low | 59 Ų | 59 | 158.8 Ų | 158.8 | 61% | 0.608 | 82% | 0.824 | S | S | * | * | cis | 142.8 | 105.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 201 | Y | 28 | Very low | 31.7 | Very low | 251 Ų | 251 | 155.7 Ų | 155.7 | 98% | 0.984 | 83% | 0.826 | S | S | * | * | trans | 68 | 155.9 | -177.9 | -60.8 | -88.5 | 0 | 0 | 0 | 117.5 | ||||
| 202 | G | 26.8 | Very low | 30.8 | Very low | 84 Ų | 84 | 152.3 Ų | 152.3 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 131.1 | 114.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 203 | S | 28.7 | Very low | 30.4 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | -125.8 | 161.7 | -178.2 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 204 | E | 27.2 | Very low | 30.1 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | trans | 72 | 149.2 | 173.9 | -40 | -164.9 | 137.5 | 0 | 0 | 114.5 | ||||
| 205 | Q | 29 | Very low | 30.2 | Very low | 178 Ų | 178 | 160.2 Ų | 160.2 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | cis | -139.7 | 173.8 | 27.3 | -77.2 | -175.6 | -17.9 | 0 | 0 | 114.9 | ||||
| 206 | Q | 28.6 | Very low | 30.8 | Very low | 171 Ų | 171 | 158.3 Ų | 158.3 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | trans | -74.5 | 158.2 | 173 | -58.3 | 161.6 | -14.8 | 0 | 0 | 112.5 | ||||
| 207 | Q | 28.6 | Very low | 30.7 | Very low | 198 Ų | 198 | 161.4 Ų | 161.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -145 | 125.4 | 145.5 | -121.8 | 164.5 | 69.7 | 0 | 0 | 111.5 | ||||
| 208 | L | 33.6 | Very low | 31 | Very low | 152 Ų | 152 | 164.4 Ų | 164.4 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | trans | -85.9 | 150.7 | 174.6 | -70.2 | 156.7 | 0 | 0 | 0 | 109.8 | ||||
| 209 | L | 30.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 165.8 Ų | 165.8 | 92% | 0.916 | 85% | 0.848 | S | S | * | * | trans | -168.6 | 140.1 | 142.8 | -104.7 | 156.7 | 0 | 0 | 0 | 113.3 | ||||
| 210 | R | 31.1 | Very low | 31.2 | Very low | 235 Ų | 235 | 158.6 Ų | 158.6 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -159.5 | 167.6 | 171.3 | -118.1 | -172.5 | -179.9 | -176.5 | 2 | 105.3 | ||||
| 211 | P | 41.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 164.5 Ų | 164.5 | 72% | 0.721 | 85% | 0.85 | S | S | * | * | cis | -133.2 | 176.8 | -3.5 | 41.8 | -26.2 | 0 | 0 | 0 | 114.6 | ||||
| 212 | S | 27.9 | Very low | 32.1 | Very low | 112 Ų | 112 | 160.3 Ų | 160.3 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | -156.5 | 126.5 | 148.7 | -80.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 213 | L | 32.6 | Very low | 32.5 | Very low | 164 Ų | 164 | 161.2 Ų | 161.2 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | 64.9 | 93.5 | 66.5 | -81.4 | 177.7 | 0 | 0 | 0 | 115 | |||||
| 214 | L | 31.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 159.1 Ų | 159.1 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -166 | 169.8 | 130.9 | -104.1 | 164.2 | 0 | 0 | 0 | 110 | ||||
| 215 | K | 32.3 | Very low | 32.8 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -107.4 | 165.7 | -173.8 | -106.4 | -169.3 | 173.8 | -174.2 | 0 | 112.1 | ||||
| 216 | P | 42 | Very low | 33.5 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | trans | -82.8 | 162.2 | -176.7 | 35.5 | -36.1 | 0 | 0 | 0 | 113.1 | ||||
| 217 | E | 31.3 | Very low | 34.5 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -135.4 | 161.6 | 166.6 | -167.1 | 159.5 | -156.2 | 0 | 0 | 108.7 | ||||
| 218 | E | 34.3 | Very low | 34.8 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -92.4 | 152.4 | -157.5 | -55.8 | -176.4 | 156.8 | 0 | 0 | 114 | ||||
| 219 | L | 33.8 | Very low | 35.1 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 97% | 0.974 | 81% | 0.814 | S | S | * | * | trans | -130.5 | 116.5 | 161.6 | -83 | 175.6 | 0 | 0 | 0 | 110.2 | ||||
| 220 | S | 32 | Very low | 35.1 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -119.3 | 135 | 173.5 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 221 | M | 32.4 | Very low | 35.2 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 170.8 | 150.4 | 173.2 | -101.9 | 165.6 | -169 | 0 | 0 | 106.8 | ||||
| 222 | E | 38.2 | Very low | 34.9 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | cis | -154.3 | 167.2 | -8.2 | -172.9 | 45.3 | -113.2 | 0 | 0 | 108.2 | ||||
| 223 | S | 35.4 | Very low | 35 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -109.6 | 118.1 | -166.7 | 169.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 224 | G | 31.4 | Very low | 34.9 | Very low | 64 Ų | 64 | 146 Ų | 146 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | 95.3 | 151.8 | 126.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 225 | I | 32 | Very low | 34.9 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 78.5 | 106 | 146.8 | -57 | 164.2 | 0 | 0 | 0 | 116.4 | ||||
| 226 | D | 42.8 | Very low | 35.1 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 82.6 | 156.7 | 83.5 | -139.4 | 44.5 | 0 | 0 | 0 | 112.5 | |||||
| 227 | P | 49.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -145.5 | 164.9 | 21.7 | 44.2 | -24 | 0 | 0 | 0 | 122 | ||||
| 228 | G | 34.6 | Very low | 34.7 | Very low | 64 Ų | 64 | 147.2 Ų | 147.2 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 98.3 | 166.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 229 | Q | 40 | Very low | 34.7 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | cis | 175.7 | 124.4 | -23.7 | -111.7 | -98.1 | 28.1 | 0 | 0 | 108.3 | ||||
| 230 | E | 30.5 | Very low | 34.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 159 | 137.8 | 162.6 | -98.8 | 174.1 | -165 | 0 | 0 | 108.6 | ||||
| 231 | Y | 33.3 | Very low | 34.8 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | cis | -133.2 | 173.9 | -2 | -95.3 | -82.9 | 0 | 0 | 0 | 109.5 | ||||
| 232 | G | 35.1 | Very low | 34.9 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | -163.7 | -173.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 233 | Q | 30.1 | Very low | 34.7 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | 66.3 | 146.6 | 169.5 | -60.2 | -173.3 | -53.2 | 0 | 0 | 117.3 | ||||
| 234 | D | 31.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | cis | -163.5 | 154.1 | -17.1 | -94.7 | -27.8 | 0 | 0 | 0 | 107.3 | ||||
| 235 | Y | 30.9 | Very low | 35.5 | Very low | 209 Ų | 209 | 152.6 Ų | 152.6 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | 175.6 | 131.7 | 138 | -110.1 | -136.4 | 0 | 0 | 0 | 116.1 | ||||
| 236 | Y | 35.3 | Very low | 36.1 | Very low | 210 Ų | 210 | 153.9 Ų | 153.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 71.3 | 165.2 | 157.2 | -86.7 | -104.6 | 0 | 0 | 0 | 121.3 | ||||
| 237 | S | 32.1 | Very low | 35.6 | Very low | 97 Ų | 97 | 156.6 Ų | 156.6 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -155.2 | 179.4 | -151.7 | -176.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 238 | Y | 34.1 | Very low | 34.8 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | 70.2 | 130.6 | -178.4 | -75.9 | -109.5 | 0 | 0 | 0 | 114.9 | ||||
| 239 | E | 34.1 | Very low | 35.3 | Very low | 153 Ų | 153 | 156.5 Ų | 156.5 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | cis | -144.5 | 167 | -10 | -68 | -162 | 145.3 | 0 | 0 | 109.9 | ||||
| 240 | H | 36.9 | Very low | 35.1 | Very low | 204 Ų | 204 | 157.2 Ų | 157.2 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | -165.1 | 120.7 | 121.8 | -102.1 | 66.3 | 0 | 0 | 0 | 107.5 | |||||
| 241 | G | 31.2 | Very low | 35.9 | Very low | 57 Ų | 57 | 161.3 Ų | 161.3 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -112.7 | 172.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 242 | Y | 34.8 | Very low | 36.2 | Very low | 225 Ų | 225 | 162 Ų | 162 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | 66.2 | 146.2 | 171.8 | -57.4 | -88.9 | 0 | 0 | 0 | 116.4 | ||||
| 243 | E | 33.6 | Very low | 36.3 | Very low | 161 Ų | 161 | 166.8 Ų | 166.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | cis | -161 | 144.1 | -24.2 | -178.1 | 172.1 | 168.2 | 0 | 0 | 106.4 | P245 | E243-P245 WeakPolarHBondContact O-CD 3.45Š| ||
| 244 | M | 39.5 | Very low | 36.7 | Very low | 178 Ų | 178 | 166 Ų | 166 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -114.1 | 100.2 | -173.6 | -169.6 | 69.6 | 159 | 0 | 0 | 111 | Q246 | M244-Q246 PolarHBondContact O-N 3.35Å; M244-Q246 VanDerWaalsContact O-N 3.17Å | ||
| 245 | P | 42.5 | Very low | 36.9 | Very low | 114 Ų | 114 | 165.7 Ų | 165.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 110.3 | -173.1 | -18.5 | 32.9 | 0 | 0 | 0 | 112.7 | E243 Y247 | E243-P245 WeakPolarHBondContact O-CD 3.45Å; P245-Y247 PolarHBondContact O-N 3.02Å | ||
| 246 | Q | 45.1 | Very low | 37.2 | Very low | 190 Ų | 190 | 161.9 Ų | 161.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -77.9 | 110.6 | 161.8 | -73.9 | -169.9 | -4.9 | 0 | 0 | 110 | M244 | M244-Q246 PolarHBondContact O-N 3.35Å; M244-Q246 VanDerWaalsContact O-N 3.17Å | ||
| 247 | Y | 33.1 | Very low | 37.4 | Very low | 198 Ų | 198 | 157.1 Ų | 157.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -146.6 | 139.6 | 163.2 | -128 | -97.6 | 0 | 0 | 0 | 108.3 | P245 | P245-Y247 PolarHBondContact O-N 3.02Š| ||
| 248 | G | 33 | Very low | 37.4 | Very low | 51 Ų | 51 | 155.9 Ų | 155.9 | 53% | 0.526 | 80% | 0.8 | S | S | . | * | cis | 137.2 | 96.4 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R250 | G248-R250 PolarHBondContact O-N 2.89Å; G248-R250 VanDerWaalsContact O-N 3.09Å | ||
| 249 | S | 44.5 | Very low | 37.4 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -55.3 | 113.3 | -166.6 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 250 | R | 36.2 | Very low | 38 | Very low | 198 Ų | 198 | 158.2 Ų | 158.2 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | -141.4 | 110.5 | 168.8 | -76.5 | -165.7 | 174 | -107.9 | -0.4 | 111.9 | G248 R252 | G248-R250 PolarHBondContact O-N 2.89Å; G248-R250 VanDerWaalsContact O-N 3.09Å; R250-R252 PolarHBondContact O-N 3.27Å | ||
| 251 | R | 46.7 | Very low | 38.2 | Very low | 241 Ų | 241 | 157.6 Ų | 157.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -58.7 | 129.2 | 164 | -65.1 | 172.4 | 172 | 174.8 | -5.5 | 110.2 | ||||
| 252 | R | 40.2 | Very low | 39 | Very low | 222 Ų | 222 | 166.4 Ų | 166.4 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -137.5 | 94.9 | 156.6 | -74.1 | -176.1 | 169.7 | 170.9 | -3.8 | 105.8 | R250 | R250-R252 PolarHBondContact O-N 3.27Š| ||
| 253 | L | 37.2 | Very low | 39.2 | Very low | 163 Ų | 163 | 159 Ų | 159 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | 66.3 | 100.1 | 92.7 | -69.4 | 174.6 | 0 | 0 | 0 | 111.5 | |||||
| 254 | L | 37.9 | Very low | 39.5 | Very low | 163 Ų | 163 | 159.7 Ų | 159.7 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 153 | 165.8 | -71.5 | 79.6 | 0 | 0 | 0 | 109.8 | ||
| 255 | P | 37 | Very low | 39.7 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 155.1 | 162.6 | 31.2 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 256 | P | 37.3 | Very low | 39.8 | Very low | 129 Ų | 129 | 157 Ų | 157 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 159.3 | -177 | 32.2 | -36 | 0 | 0 | 0 | 113.3 | ||
| 257 | A | 37.9 | Very low | 39.9 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 156.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 258 | G | 33.1 | Very low | 40.4 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -147.7 | 97.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 259 | Q | 33.3 | Very low | 40.9 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 97% | 0.967 | 80% | 0.802 | S | S | * | * | trans | 65.1 | 154.5 | 172.1 | -58.3 | -163.8 | -93.1 | 0 | 0 | 118.1 | ||||
| 260 | E | 48 | Very low | 40.9 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -110.1 | 129.8 | -167.5 | -60.5 | 158.9 | 159.7 | 0 | 0 | 109.3 | ||||
| 261 | E | 40 | Very low | 41.1 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 145.1 | 158.4 | -169.5 | 158.5 | -153.6 | 0 | 0 | 107.6 | G263 | E261-G263 PolarHBondContact O-N 3.04Š| ||
| 262 | Y | 48.5 | Very low | 40.8 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | trans | -71.7 | 101.5 | -169.7 | -95.7 | -119.5 | 0 | 0 | 0 | 111.1 | ||||
| 263 | G | 38.4 | Very low | 40.9 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -80.9 | 115 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E261 | E261-G263 PolarHBondContact O-N 3.04Š| ||
| 264 | E | 39.3 | Very low | 41.3 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -61.1 | 140 | 175.8 | -172.6 | 161.2 | -158.9 | 0 | 0 | 111.6 | V266 | E264-V266 VanDerWaalsContact C-N 3.28Å; E264-V266 PolarHBondContact O-N 3.33Å | ||
| 265 | V | 44.7 | Very low | 41.8 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -81.2 | 81.9 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | G267 | V265-G267 PolarHBondContact O-N 3.44Š| ||
| 266 | V | 43.9 | Very low | 42.7 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | -58.7 | 116.7 | 178 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | E264 E268 | E264-V266 VanDerWaalsContact C-N 3.28Å; E264-V266 PolarHBondContact O-N 3.33Å; V266-E268 HydrophobicContact CG1-CB 3.71Å; V266-E268 HydrophobicContact CG1-CG 3.55Å; V266-E268 WeakPolarHBondContact CG1-OE2 3.42Å | ||
| 267 | G | 48.6 | Very low | 43.3 | Very low | 54 Ų | 54 | 132.7 Ų | 132.7 | 56% | 0.557 | 71% | 0.706 | S | S | * | * | trans | -95.7 | 9.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V265 A269 | V265-G267 PolarHBondContact O-N 3.44Å; G267-A269 PolarHBondContact O-N 3.29Å | ||
| 268 | E | 43.3 | Very low | 44.1 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 59% | 0.589 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -54.8 | -22.8 | -168.2 | -76 | 160.9 | -165.8 | 0 | 0 | 115 | V266 E270 E271 E272 | V266-E268 HydrophobicContact CG1-CB 3.71Å; V266-E268 HydrophobicContact CG1-CG 3.55Å; V266-E268 WeakPolarHBondContact CG1-OE2 3.42Å; E268-E270 VanDerWaalsContact C-N 3.28Å; E268-E270 PolarHBondContact O-N 3.44Å; E268-E270 VanDerWaalsContact O-N 3.16Å; E268-E271 PolarHBondContact O-N 2.88Å; E268-E272 WeakPolarHBondContact O-CB 3.4Å; E268-E272 PolarHBondContact O-N 2.71Å |
| 269 | A | 43.9 | Very low | 45.2 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 66% | 0.661 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.4 | -13.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G267 Y273 | G267-A269 PolarHBondContact O-N 3.29Å; A269-Y273 WeakPolarHBondContact O-CD2 3.36Å |
| 270 | E | 44 | Very low | 46.7 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -108.1 | -35.8 | 167.5 | -74.8 | -169 | 134 | 0 | 0 | 112.5 | E268 Y273 E274 | E268-E270 VanDerWaalsContact C-N 3.28Å; E268-E270 PolarHBondContact O-N 3.44Å; E268-E270 VanDerWaalsContact O-N 3.16Å; E270-Y273 PolarHBondContact O-N 2.9Å; E270-E274 PolarHBondContact O-N 2.9Å |
| 271 | E | 40.5 | Very low | 47.7 | Very low | 145 Ų | 145 | 117.6 Ų | 117.6 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.4 | -36.9 | 178 | -69.7 | -167.7 | 128.7 | 0 | 0 | 112.7 | E268 Y273 E274 E275 | E268-E271 PolarHBondContact O-N 2.88Å; E271-Y273 VanDerWaalsContact C-N 3.27Å; E271-Y273 PolarHBondContact O-N 3.31Å; E271-E274 PolarHBondContact O-N 3.28Å; E271-E275 WeakPolarHBondContact O-CB 3.48Å; E271-E275 PolarHBondContact O-N 3.48Å |
| 272 | E | 38.8 | Very low | 49.2 | Very low | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.8 | -38.9 | 176.4 | -175 | -179.7 | -149.3 | 0 | 0 | 111.4 | E268 E276 | E268-E272 WeakPolarHBondContact O-CB 3.4Å; E268-E272 PolarHBondContact O-N 2.71Å; E272-E276 WeakPolarHBondContact O-CB 3.45Å; E272-E276 PolarHBondContact O-N 2.85Å |
| 273 | Y | 44.1 | Very low | 50.4 | Low | 158 Ų | 158 | 101 Ų | 101 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.7 | -38.2 | 178.3 | -81.9 | -92 | 0 | 0 | 0 | 112.9 | A269 E270 E271 E277 | A269-Y273 WeakPolarHBondContact O-CD2 3.36Å; E270-Y273 PolarHBondContact O-N 2.9Å; E271-Y273 VanDerWaalsContact C-N 3.27Å; E271-Y273 PolarHBondContact O-N 3.31Å; Y273-E277 WeakPolarHBondContact O-CB 3.27Å; Y273-E277 WeakPolarHBondContact O-CG 3.46Å; Y273-E277 PolarHBondContact O-N 3.38Å |
| 274 | E | 44.9 | Very low | 52.1 | Low | 159 Ų | 159 | 97.7 Ų | 97.7 | 74% | 0.743 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70 | -40.3 | 174.8 | -75.8 | -116.1 | 135.7 | 0 | 0 | 111.8 | E270 E271 W278 | E270-E274 PolarHBondContact O-N 2.9Å; E271-E274 PolarHBondContact O-N 3.28Å; E274-W278 VanDerWaalsContact O-CB 3.25Å; E274-W278 WeakPolarHBondContact O-CB 3.35Å; E274-W278 PolarHBondContact O-N 2.95Å |
| 275 | E | 49.2 | Very low | 54.2 | Low | 129 Ų | 129 | 90.7 Ų | 90.7 | 60% | 0.603 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.4 | -42.9 | 177.3 | -175 | 161.1 | -144.8 | 0 | 0 | 111.6 | E271 W278 A279 | E271-E275 WeakPolarHBondContact O-CB 3.48Å; E271-E275 PolarHBondContact O-N 3.48Å; E275-W278 PolarHBondContact O-N 3.41Å; E275-W278 VanDerWaalsContact O-N 3.17Å; E275-A279 WeakPolarHBondContact O-CB 3.24Å; E275-A279 PolarHBondContact O-N 3.32Å |
| 276 | E | 54.1 | Low | 55.7 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 39% | 0.388 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.3 | -161.3 | -166.9 | -160.5 | 0 | 0 | 111.3 | E272 W278 R280 | E272-E276 WeakPolarHBondContact O-CB 3.45Å; E272-E276 PolarHBondContact O-N 2.85Å; E276-W278 VanDerWaalsContact C-N 3.33Å; E276-W278 PolarHBondContact O-N 2.84Å; E276-R280 VanDerWaalsContact CD-NH1 3.33Å; E276-R280 VanDerWaalsContact O-CB 3.29Å; E276-R280 WeakPolarHBondContact O-CB 3.31Å; E276-R280 VanDerWaalsContact O-CD 3.32Å; E276-R280 WeakPolarHBondContact O-CD 3.35Å; E276-R280 WeakPolarHBondContact O-CG 3.37Å; E276-R280 PolarHBondContact O-N 2.89Å; E276-R280 IonicContact OE1-CZ 2.71Å; E276-R280 IonicContact OE1-NE 3.06Å; E276-R280 IonicContact OE1-NH1 2.91Å; E276-R280 IonicContact OE1-NH2 3.53Å; E276-R280 PolarHBondContact OE1-NH2 3.45Å; E276-R280 IonicContact OE2-CZ 2.72Å; E276-R280 IonicContact OE2-NE 3.87Å; E276-R280 IonicContact OE2-NH1 3.56Å; E276-R280 PolarHBondContact OE2-NH1 3.25Å; E276-R280 IonicContact OE2-NH2 3.45Å; E276-R280 PolarHBondContact OE2-NH2 2.81Å |
| 277 | E | 50.3 | Low | 57.4 | Low | 56 Ų | 56 | 79.5 Ų | 79.5 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 170.8 | -90.9 | -79.5 | 126.8 | 0 | 0 | 112.6 | I105 Y273 K281 | I105-E277 WeakPolarHBondContact CD1-OE1 3.44Å; I105-E277 VanDerWaalsContact CG1-OE1 3.28Å; I105-E277 WeakPolarHBondContact CG1-OE1 3.28Å; Y273-E277 WeakPolarHBondContact O-CB 3.27Å; Y273-E277 WeakPolarHBondContact O-CG 3.46Å; Y273-E277 PolarHBondContact O-N 3.38Å; E277-K281 WeakPolarHBondContact O-CD 3.35Å; E277-K281 WeakPolarHBondContact O-CE 3.28Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 2.98Å; E277-K281 VanDerWaalsContact O-N 3.14Å; E277-K281 WeakPolarHBondContact OE2-CE 3.32Å; E277-K281 IonicContact OE2-NZ 2.67Å; E277-K281 PolarHBondContact OE2-NZ 2.77Å |
| 278 | W | 54.5 | Low | 58.8 | Low | 77 Ų | 77 | 77.2 Ų | 77.2 | 29% | 0.292 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.4 | -44.5 | -179.8 | 174 | 17.7 | 0 | 0 | 0 | 111.9 | R61 E274 E275 E276 R280 K281 R282 | R61-W278 HydrophobicContact CB-CH2 4.4Å; R61-W278 HydrophobicContact CB-CZ2 4.09Å; R61-W278 HydrophobicContact CG-CH2 3.8Å; R61-W278 HydrophobicContact CG-CZ2 3.94Å; E274-W278 VanDerWaalsContact O-CB 3.25Å; E274-W278 WeakPolarHBondContact O-CB 3.35Å; E274-W278 PolarHBondContact O-N 2.95Å; E275-W278 PolarHBondContact O-N 3.41Å; E275-W278 VanDerWaalsContact O-N 3.17Å; E276-W278 VanDerWaalsContact C-N 3.33Å; E276-W278 PolarHBondContact O-N 2.84Å; W278-R280 PolarHBondContact O-N 3.4Å; W278-K281 WeakPolarHBondContact O-CB 3.5Å; W278-K281 PolarHBondContact O-N 3.28Å; W278-K281 VanDerWaalsContact O-N 3.15Å; W278-R282 PolarHBondContact O-N 3.25Å |
| 279 | A | 57.8 | Low | 60.1 | Low | 32 Ų | 32 | 72.2 Ų | 72.2 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.2 | -52.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E275 K281 R282 M283 | E275-A279 WeakPolarHBondContact O-CB 3.24Å; E275-A279 PolarHBondContact O-N 3.32Å; A279-K281 VanDerWaalsContact C-N 3.27Å; A279-K281 PolarHBondContact O-N 2.92Å; A279-R282 PolarHBondContact O-N 2.97Å; A279-M283 WeakPolarHBondContact O-CG 3.35Å; A279-M283 PolarHBondContact O-N 3.36Å |
| 280 | R | 63.4 | Low | 60.8 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51.2 | -43.1 | 174.9 | -76.2 | 166.5 | 174.3 | 153.5 | 1.5 | 112.6 | V102 E276 W278 R282 M283 | V102-R280 WeakPolarHBondContact CG2-O 3.09Å; E276-R280 VanDerWaalsContact CD-NH1 3.33Å; E276-R280 VanDerWaalsContact O-CB 3.29Å; E276-R280 WeakPolarHBondContact O-CB 3.31Å; E276-R280 VanDerWaalsContact O-CD 3.32Å; E276-R280 WeakPolarHBondContact O-CD 3.35Å; E276-R280 WeakPolarHBondContact O-CG 3.37Å; E276-R280 PolarHBondContact O-N 2.89Å; E276-R280 IonicContact OE1-CZ 2.71Å; E276-R280 IonicContact OE1-NE 3.06Å; E276-R280 IonicContact OE1-NH1 2.91Å; E276-R280 IonicContact OE1-NH2 3.53Å; E276-R280 PolarHBondContact OE1-NH2 3.45Å; E276-R280 IonicContact OE2-CZ 2.72Å; E276-R280 IonicContact OE2-NE 3.87Å; E276-R280 IonicContact OE2-NH1 3.56Å; E276-R280 PolarHBondContact OE2-NH1 3.25Å; E276-R280 IonicContact OE2-NH2 3.45Å; E276-R280 PolarHBondContact OE2-NH2 2.81Å; W278-R280 PolarHBondContact O-N 3.4Å; R280-R282 VanDerWaalsContact C-N 3.31Å; R280-R282 PolarHBondContact O-N 3.44Å; R280-M283 PolarHBondContact O-N 3.44Å |
| 281 | K | 68.7 | Low | 60.5 | Low | 82 Ų | 82 | 72.6 Ų | 72.6 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.8 | -29.2 | 179.8 | -74.2 | 157.2 | -163.8 | 160 | 0 | 113.5 | R65 V102 E277 W278 A279 | R65-K281 PolarHBondContact NH1-O 3.36Å; V102-K281 HydrophobicContact CG1-CG 4.18Å; E277-K281 WeakPolarHBondContact O-CD 3.35Å; E277-K281 WeakPolarHBondContact O-CE 3.28Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 2.98Å; E277-K281 VanDerWaalsContact O-N 3.14Å; E277-K281 WeakPolarHBondContact OE2-CE 3.32Å; E277-K281 IonicContact OE2-NZ 2.67Å; E277-K281 PolarHBondContact OE2-NZ 2.77Å; W278-K281 WeakPolarHBondContact O-CB 3.5Å; W278-K281 PolarHBondContact O-N 3.28Å; W278-K281 VanDerWaalsContact O-N 3.15Å; A279-K281 VanDerWaalsContact C-N 3.27Å; A279-K281 PolarHBondContact O-N 2.92Å |
| 282 | R | 72.8 | Confident | 60.7 | Low | 74 Ų | 74 | 71 Ų | 71 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -92.1 | -12.7 | -178.3 | -64.6 | -161.3 | -179.1 | -156.4 | 1.5 | 115 | A62 I63 R65 W278 A279 R280 | A62-R282 HydrophobicContact CB-CB 4.15Å; A62-R282 WeakPolarHBondContact O-CD 3.2Å; A62-R282 PolarHBondContact O-NH1 3.07Å; I63-R282 WeakPolarHBondContact O-CD 3.49Å; R65-R282 WeakPolarHBondContact CA-O 3.45Å; R65-R282 WeakPolarHBondContact CB-O 3.45Å; W278-R282 PolarHBondContact O-N 3.25Å; A279-R282 PolarHBondContact O-N 2.97Å; R280-R282 VanDerWaalsContact C-N 3.31Å; R280-R282 PolarHBondContact O-N 3.44Å |
| 283 | M | 72.6 | Confident | 60.5 | Low | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | trans | -67.8 | 150 | 178.5 | -72.5 | 169.4 | 175.9 | 0 | 0 | 115.5 | E29 T51 Y53 R65 P99 A279 R280 | E29-M283 HydrophobicContact CB-CE 3.89Å; E29-M283 HydrophobicContact CG-CE 3.43Å; E29-M283 VanDerWaalsContact CG-CE 3.43Å; E29-M283 HydrophobicContact CG-SD 4.33Å; E29-M283 WeakPolarHBondContact OE1-CE 3.32Å; E29-M283 WeakPolarHBondContact OE2-CE 3.46Å; T51-M283 HydrophobicContact CG2-CB 4.08Å; T51-M283 HydrophobicContact CG2-CG 4.26Å; T51-M283 HydrophobicContact CG2-SD 3.94Å; Y53-M283 HydrophobicContact CD1-CE 4.3Å; Y53-M283 HydrophobicContact CD1-CG 4.21Å; Y53-M283 HydrophobicContact CE1-CE 4.48Å; R65-M283 WeakPolarHBondContact CD-O 3.37Å; R65-M283 WeakPolarHBondContact CG-O 3.39Å; P99-M283 WeakPolarHBondContact CD-O 3.5Å; P99-M283 HydrophobicContact CG-CB 3.82Å; A279-M283 WeakPolarHBondContact O-CG 3.35Å; A279-M283 PolarHBondContact O-N 3.36Å; R280-M283 PolarHBondContact O-N 3.44Å | ||
| 284 | I | 74.9 | Confident | 60.2 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150 | 172.8 | -64.8 | -175.1 | 0 | 0 | 0 | 109.7 | T51 V52 R65 L68 F69 I96 L286 | T51-I284 CarbonylContact C-O 3.53Å; T51-I284 WeakPolarHBondContact CA-O 3.49Å; V52-I284 PolarHBondContact N-O 2.98Å; V52-I284 PolarHBondContact O-N 3Å; R65-I284 HydrophobicContact CG-CD1 4.23Å; R65-I284 HydrophobicContact CG-CG1 3.52Å; R65-I284 WeakPolarHBondContact O-CD1 3.3Å; L68-I284 VanDerWaalsContact C-CD1 3.45Å; L68-I284 HydrophobicContact CB-CD1 3.7Å; L68-I284 HydrophobicContact CD2-CD1 3.92Å; L68-I284 HydrophobicContact CD2-CG1 4.31Å; L68-I284 HydrophobicContact CG-CD1 3.67Å; F69-I284 HydrophobicContact CB-CD1 3.89Å; I96-I284 HydrophobicContact CG2-CG2 3.26Å; I284-L286 HydrophobicContact CG2-CD2 4.46Å |
| 285 | K | 82.4 | Confident | 59.8 | Low | 28 Ų | 28 | 68.8 Ų | 68.8 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 110.8 | 177.1 | -150.4 | 179.6 | -153.2 | -159.2 | 0 | 110 | D49 L50 R97 | D49-K285 HydrophobicContact CB-CD 4.33Å; D49-K285 HydrophobicContact CB-CG 4.43Å; D49-K285 VanDerWaalsContact CG-CE 3.42Å; D49-K285 VanDerWaalsContact CG-NZ 3.28Å; D49-K285 IonicContact OD1-NZ 2.76Å; D49-K285 WeakPolarHBondContact OD2-CE 3.46Å; D49-K285 IonicContact OD2-NZ 3.34Å; D49-K285 PolarHBondContact OD2-NZ 3.36Å; L50-K285 CarbonylContact O-C 3.55Å; L50-K285 WeakPolarHBondContact O-CA 3.44Å; R97-K285 HydrophobicContact CG-CB 3.92Å; R97-K285 WeakPolarHBondContact CG-O 3.38Å; R97-K285 PolarHBondContact N-O 3.47Å; R97-K285 WeakPolarHBondContact O-CB 3.47Å; R97-K285 PolarHBondContact O-N 2.78Å |
| 286 | L | 77.6 | Confident | 59.4 | Low | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.2 | 172.5 | -59.3 | 176.7 | 0 | 0 | 0 | 108.8 | L13 L50 V52 L72 I93 I96 I284 | L13-L286 HydrophobicContact CD1-CD1 4Å; L13-L286 HydrophobicContact CD2-CD1 4.29Å; L50-L286 HydrophobicContact CB-CB 4.3Å; L50-L286 HydrophobicContact CD2-CD1 4.22Å; L50-L286 PolarHBondContact N-O 3Å; L50-L286 PolarHBondContact O-N 3.06Å; V52-L286 HydrophobicContact CG2-CD1 4.17Å; V52-L286 HydrophobicContact CG2-CG 4.21Å; L72-L286 HydrophobicContact CD1-CD2 4.31Å; I93-L286 HydrophobicContact CG2-CD2 4.47Å; I96-L286 HydrophobicContact CB-CD2 4.38Å; I96-L286 HydrophobicContact CD1-CD2 3.8Å; I96-L286 HydrophobicContact CG1-CD2 3.72Å; I96-L286 HydrophobicContact CG2-CD2 4.11Å; I284-L286 HydrophobicContact CG2-CD2 4.46Å |
| 287 | V | 78.1 | Confident | 58.9 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.3 | 173.9 | 174.3 | 0 | 0 | 0 | 0 | 108.9 | R34 C48 I93 L94 E95 R97 | R34-V287 HydrophobicContact CG-CG1 4.02Å; R34-V287 VanDerWaalsContact NE-CG1 3.33Å; C48-V287 WeakPolarHBondContact O-CA 3.47Å; I93-V287 CarbonylContact C-O 3.37Å; I93-V287 WeakPolarHBondContact CA-O 2.85Å; I93-V287 WeakPolarHBondContact CG2-O 3.08Å; L94-V287 HydrophobicContact CB-CG1 4.29Å; L94-V287 HydrophobicContact CD1-CG1 4.24Å; L94-V287 PolarHBondContact N-O 3.21Å; E95-V287 HydrophobicContact CG-CB 3.52Å; E95-V287 HydrophobicContact CG-CG1 4.03Å; E95-V287 HydrophobicContact CG-CG2 3.61Å; E95-V287 PolarHBondContact O-N 2.7Å; R97-V287 HydrophobicContact CG-CG2 4.17Å |
| 288 | V | 78.1 | Confident | 58.3 | Low | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.6 | -178.9 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | V2 K47 C48 Y87 I93 | V2-V288 HydrophobicContact CG2-CG1 4.43Å; K47-V288 CarbonylContact C-O 3.26Å; K47-V288 VanDerWaalsContact CA-O 3.29Å; K47-V288 WeakPolarHBondContact CA-O 3.37Å; K47-V288 VanDerWaalsContact CB-O 3.31Å; K47-V288 WeakPolarHBondContact CB-O 3.3Å; C48-V288 HydrophobicContact CB-CB 4.09Å; C48-V288 PolarHBondContact N-O 3.31Å; C48-V288 PolarHBondContact O-N 3.34Å; Y87-V288 HydrophobicContact CD2-CG1 3.7Å; Y87-V288 HydrophobicContact CE1-CG1 4.27Å; Y87-V288 HydrophobicContact CE2-CB 4.26Å; Y87-V288 HydrophobicContact CE2-CG1 3.28Å; Y87-V288 HydrophobicContact CE2-CG2 3.92Å; Y87-V288 HydrophobicContact CG-CG1 4.34Å; I93-V288 HydrophobicContact CG1-CG2 4.34Å |
| 289 | D | 72.3 | Confident | 57.6 | Low | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.112 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 149.9 | 169.5 | -160.3 | -15 | 0 | 0 | 0 | 110.5 | K47 G91 R92 L94 E291 | K47-D289 HydrophobicContact CD-CB 4.26Å; K47-D289 VanDerWaalsContact CE-CG 3.46Å; K47-D289 WeakPolarHBondContact CE-OD2 3.5Å; K47-D289 HydrophobicContact CG-CB 4.09Å; G91-D289 CarbonylContact C-O 3.59Å; G91-D289 VanDerWaalsContact CA-O 3.24Å; G91-D289 WeakPolarHBondContact CA-O 3.42Å; R92-D289 PolarHBondContact N-O 3.19Å; R92-D289 PolarHBondContact O-N 3.12Å; L94-D289 HydrophobicContact CD1-CB 3.69Å; L94-D289 HydrophobicContact CD2-CB 3.74Å; L94-D289 HydrophobicContact CG-CB 3.55Å; D289-E291 PolarHBondContact OD1-N 3.43Å |
| 290 | R | 57 | Low | 56.5 | Low | 154 Ų | 154 | 82.7 Ų | 82.7 | 58% | 0.581 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -101.3 | -27.6 | 179.9 | -177.9 | -174.9 | 166 | -130.7 | -1.4 | 111.4 | ||
| 291 | E | 39.2 | Very low | 55.3 | Low | 100 Ų | 100 | 83.6 Ų | 83.6 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | trans | -127.6 | 62.4 | -156.9 | -76.5 | 157.6 | -132.3 | 0 | 0 | 111.6 | D289 E293 | D289-E291 PolarHBondContact OD1-N 3.43Å; E291-E293 PolarHBondContact O-N 2.83Å; E291-E293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | Y | 44.2 | Very low | 53.6 | Low | 112 Ų | 112 | 84.2 Ų | 84.2 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | trans | -75.8 | 90.9 | 164.3 | -175.7 | -105.6 | 0 | 0 | 0 | 110.3 | G90 R92 T294 | G90-Y292 WeakPolarHBondContact O-CB 3.43Å; R92-Y292 VanDerWaalsContact NH2-CE2 3.25Å; Y292-T294 HydrophobicContact CD1-CG2 4.24Å; Y292-T294 HydrophobicContact CE1-CG2 4.27Å; Y292-T294 PolarHBondContact O-N 2.84Å | ||
| 293 | E | 34.5 | Very low | 52.4 | Low | 172 Ų | 172 | 86.8 Ų | 86.8 | 80% | 0.804 | 50% | 0.499 | S | S | * | . | trans | -61.6 | 122.4 | 169.4 | -73.3 | -155 | 156.9 | 0 | 0 | 110.5 | E291 S295 | E291-E293 PolarHBondContact O-N 2.83Å; E291-E293 VanDerWaalsContact O-N 3.11Å; E293-S295 VanDerWaalsContact C-N 3.32Å; E293-S295 PolarHBondContact O-N 3.48Å | ||
| 294 | T | 37.1 | Very low | 50.3 | Low | 119 Ų | 119 | 95 Ų | 95 | 73% | 0.73 | 54% | 0.537 | S | S | * | . | trans | -74.6 | 82.6 | -177.4 | 37.9 | 0 | 0 | 0 | 0 | 111 | Y292 S296 | Y292-T294 HydrophobicContact CD1-CG2 4.24Å; Y292-T294 HydrophobicContact CE1-CG2 4.27Å; Y292-T294 PolarHBondContact O-N 2.84Å; T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact O-N 3.37Å | ||
| 295 | S | 36.8 | Very low | 48.2 | Very low | 110 Ų | 110 | 100.3 Ų | 100.3 | 77% | 0.769 | 57% | 0.573 | S | S | * | * | trans | -59.2 | 95.4 | 164.6 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | E293 | E293-S295 VanDerWaalsContact C-N 3.32Å; E293-S295 PolarHBondContact O-N 3.48Å | ||
| 296 | S | 41.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 76% | 0.755 | 60% | 0.602 | S | S | * | * | trans | -63.3 | 151.5 | -177 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | T294 G298 | T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact O-N 3.37Å; S296-G298 PolarHBondContact O-N 2.97Å | ||
| 297 | T | 42.3 | Very low | 43.5 | Very low | 141 Ų | 141 | 116.3 Ų | 116.3 | 87% | 0.865 | 64% | 0.64 | S | S | * | * | trans | -58.3 | 130.7 | -178 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 298 | G | 38.2 | Very low | 41.4 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | trans | -165.5 | 65.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S296 | S296-G298 PolarHBondContact O-N 2.97Š| ||
| 299 | E | 40.5 | Very low | 39 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 92% | 0.916 | 72% | 0.722 | S | S | * | * | trans | 54.5 | 125.3 | 140.6 | -59.5 | 174.8 | -128 | 0 | 0 | 122.7 | ||||
| 300 | D | 34.7 | Very low | 37.1 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | 82.2 | 175.6 | 148.2 | -146.8 | 17.6 | 0 | 0 | 0 | 121.1 | ||||
| 301 | S | 37.6 | Very low | 35.8 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | -109.6 | 162.1 | -128.9 | -64.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 302 | A | 33.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | 77.3 | 153.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 303 | P | 47.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -98.2 | 136.4 | -173.5 | 36.4 | -31 | 0 | 0 | 0 | 113 | ||||
| 304 | E | 27.8 | Very low | 34.6 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -138 | 148.9 | 170.2 | -169.1 | 56 | -92.3 | 0 | 0 | 110.5 | ||||
| 305 | C | 31.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -102 | 162.9 | -171.4 | -92.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 306 | Q | 30.8 | Very low | 34.1 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | 100.4 | 133.8 | 148.5 | -149.3 | -169.3 | 110 | 0 | 0 | 119.6 | ||||
| 307 | R | 29.6 | Very low | 33.6 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | 98.6 | 98.2 | 143.1 | -129.3 | 172.1 | -172.6 | 113.8 | -2 | 120 | ||||
| 308 | N | 34.5 | Very low | 33.7 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -8.8 | 123.9 | 157.3 | -53.3 | 1 | 0 | 0 | 0 | 118.7 | ||||
| 309 | R | 28 | Very low | 34.4 | Very low | 241 Ų | 241 | 149.3 Ų | 149.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -142.4 | 142.3 | 132.7 | -84.8 | -174.2 | -166.4 | -118.5 | -1.2 | 110.1 | ||||
| 310 | L | 32.6 | Very low | 35 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -83.1 | 137.6 | 176.8 | -74.9 | 154.2 | 0 | 0 | 0 | 110.8 | ||||
| 311 | H | 28.8 | Very low | 36.3 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | -139.9 | 108.7 | 160.7 | -86.7 | -82.3 | 0 | 0 | 0 | 110.9 | ||||
| 312 | H | 29.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 139 | 162.7 | -87.9 | -73.8 | 0 | 0 | 0 | 109.9 | ||
| 313 | P | 34.2 | Very low | 39.8 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 133.7 | 146.4 | 33.1 | -25.9 | 0 | 0 | 0 | 110.1 | ||
| 314 | S | 29.4 | Very low | 40.8 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 132.4 | -177 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 315 | I | 30.6 | Very low | 43.2 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 86% | 0.862 | 69% | 0.69 | S | S | * | * | trans | -117.8 | 104.5 | 167.8 | -57.6 | 179.1 | 0 | 0 | 0 | 108.7 | ||||
| 316 | H | 31.6 | Very low | 45.2 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -91.3 | 107.3 | -179.9 | -88.8 | -86.7 | 0 | 0 | 0 | 112 | N318 | H316-N318 PolarHBondContact O-N 3.49Š| ||
| 317 | S | 32.8 | Very low | 46.4 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -86.8 | 93.6 | 171 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | I319 | S317-I319 PolarHBondContact O-N 3.32Š| ||
| 318 | N | 44.2 | Very low | 48.1 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -71.7 | 85.8 | -178.9 | -87.3 | -48 | 0 | 0 | 0 | 113.1 | H316 | H316-N318 PolarHBondContact O-N 3.49Š| ||
| 319 | I | 52.7 | Low | 49.3 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 53% | 0.533 | 67% | 0.669 | S | S | . | * | trans | -129.8 | 68.8 | 168.7 | -48 | -178.3 | 0 | 0 | 0 | 110.2 | S317 G321 | S317-I319 PolarHBondContact O-N 3.32Å; I319-G321 PolarHBondContact O-N 3.27Å | ||
| 320 | N | 52.2 | Low | 50.6 | Low | 131 Ų | 131 | 118.3 Ų | 118.3 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | trans | -71.1 | 90 | 178.5 | -85.3 | -12.3 | 0 | 0 | 0 | 112.3 | ||||
| 321 | G | 61.8 | Low | 52.7 | Low | 14 Ų | 14 | 115.3 Ų | 115.3 | 14% | 0.144 | 63% | 0.631 | C | S | . | * | trans | -146.4 | 122.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I319 T334 | I319-G321 PolarHBondContact O-N 3.27Å; G321-T334 CarbonylContact C-O 3.5Å; G321-T334 VanDerWaalsContact C-O 3.26Å; G321-T334 WeakPolarHBondContact CA-O 3.27Å | ||
| 322 | N | 68.5 | Low | 54.3 | Low | 83 Ų | 83 | 111.1 Ų | 111.1 | 44% | 0.444 | 62% | 0.618 | S | S | . | * | trans | -72.7 | 139.3 | -173.1 | -66 | 10.5 | 0 | 0 | 0 | 111.1 | Y324 T334 | N322-Y324 HydrophobicContact CB-CD2 4.43Å; N322-Y324 HydrophobicContact CB-CE2 3.58Å; N322-Y324 PolarHBondContact ND2-OH 2.91Å; N322-T334 PolarHBondContact N-O 2.96Å; N322-T334 PolarHBondContact N-OG1 3.43Å; N322-T334 PolarHBondContact O-N 2.94Å; N322-T334 PolarHBondContact O-OG1 2.63Å | ||
| 323 | I | 76.3 | Confident | 56.5 | Low | 89 Ų | 89 | 108.5 Ų | 108.5 | 46% | 0.456 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.7 | 175.1 | -55 | 172.2 | 0 | 0 | 0 | 107.5 | V331 R333 | I323-V331 HydrophobicContact CG2-CG1 3.5Å; I323-V331 VanDerWaalsContact CG2-CG1 3.5Å; I323-R333 HydrophobicContact CG1-CB 4.26Å; I323-R333 HydrophobicContact CG1-CG 3.86Å |
| 324 | Y | 69.2 | Low | 57.6 | Low | 136 Ų | 136 | 106 Ų | 106 | 53% | 0.533 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.9 | 173.5 | -60.4 | -83.3 | 0 | 0 | 0 | 109.1 | N322 V332 T334 | N322-Y324 HydrophobicContact CB-CD2 4.43Å; N322-Y324 HydrophobicContact CB-CE2 3.58Å; N322-Y324 PolarHBondContact ND2-OH 2.91Å; Y324-V332 PolarHBondContact N-O 2.89Å; Y324-V332 PolarHBondContact O-N 2.93Å; Y324-T334 HydrophobicContact CE2-CG2 4.41Å |
| 325 | I | 78.6 | Confident | 59.1 | Low | 126 Ų | 126 | 110.8 Ų | 110.8 | 65% | 0.646 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.9 | 177.3 | -51.5 | -178.7 | 0 | 0 | 0 | 107.1 | S330 V331 | I325-S330 WeakPolarHBondContact CA-O 3.2Å; I325-V331 HydrophobicContact CG1-CG1 4.38Å; I325-V331 HydrophobicContact CG1-CG2 4.19Å; I325-V331 HydrophobicContact CG2-CG2 4.33Å |
| 326 | A | 72.4 | Confident | 60.1 | Low | 48 Ų | 48 | 112.2 Ų | 112.2 | 40% | 0.397 | 58% | 0.581 | S | S | . | * | trans | -86.4 | 158.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | N328 G329 S330 | A326-N328 WeakPolarHBondContact CB-OD1 3.48Å; A326-N328 PolarHBondContact O-N 3.26Å; A326-G329 PolarHBondContact O-N 3.38Å; A326-S330 PolarHBondContact N-O 3.24Å | ||
| 327 | Q | 56.8 | Low | 60.4 | Low | 215 Ų | 215 | 109.7 Ų | 109.7 | 100% | 1.005 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -14.7 | -177.5 | -72.6 | 177.7 | -35.1 | 0 | 0 | 114.3 | G329 | Q327-G329 VanDerWaalsContact C-N 3.28Š|
| 328 | N | 65.8 | Low | 60.6 | Low | 130 Ų | 130 | 110.1 Ų | 110.1 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 11.1 | 171.4 | 69.6 | -6.3 | 0 | 0 | 0 | 113.8 | A326 S330 | A326-N328 WeakPolarHBondContact CB-OD1 3.48Å; A326-N328 PolarHBondContact O-N 3.26Å; N328-S330 VanDerWaalsContact C-N 3.28Å; N328-S330 PolarHBondContact O-N 3.27Å; N328-S330 WeakPolarHBondContact OD1-CB 3.48Å; N328-S330 PolarHBondContact OD1-N 3.47Å; N328-S330 VanDerWaalsContact OD1-N 3.13Å; N328-S330 PolarHBondContact OD1-OG 3.28Å |
| 329 | G | 59.5 | Low | 60.1 | Low | 57 Ų | 57 | 111.1 Ų | 111.1 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 80.1 | -5.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A326 Q327 | A326-G329 PolarHBondContact O-N 3.38Å; Q327-G329 VanDerWaalsContact C-N 3.28Å |
| 330 | S | 55.8 | Low | 59.2 | Low | 53 Ų | 53 | 112.2 Ų | 112.2 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | trans | -73.2 | 136.8 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | I325 A326 N328 | I325-S330 WeakPolarHBondContact CA-O 3.2Å; A326-S330 PolarHBondContact N-O 3.24Å; N328-S330 VanDerWaalsContact C-N 3.28Å; N328-S330 PolarHBondContact O-N 3.27Å; N328-S330 WeakPolarHBondContact OD1-CB 3.48Å; N328-S330 PolarHBondContact OD1-N 3.47Å; N328-S330 VanDerWaalsContact OD1-N 3.13Å; N328-S330 PolarHBondContact OD1-OG 3.28Å | ||
| 331 | V | 74.9 | Confident | 58.1 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.3 | -175.3 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | I323 I325 | I323-V331 HydrophobicContact CG2-CG1 3.5Å; I323-V331 VanDerWaalsContact CG2-CG1 3.5Å; I325-V331 HydrophobicContact CG1-CG1 4.38Å; I325-V331 HydrophobicContact CG1-CG2 4.19Å; I325-V331 HydrophobicContact CG2-CG2 4.33Å |
| 332 | V | 63.5 | Low | 56.7 | Low | 89 Ų | 89 | 119.4 Ų | 119.4 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.8 | -179 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | Y324 | Y324-V332 PolarHBondContact N-O 2.89Å; Y324-V332 PolarHBondContact O-N 2.93Å |
| 333 | R | 76.3 | Confident | 55.1 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 47% | 0.468 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 110.9 | 177.9 | -175.4 | 166.2 | -166 | 159.1 | 3 | 111.6 | I323 | I323-R333 HydrophobicContact CG1-CB 4.26Å; I323-R333 HydrophobicContact CG1-CG 3.86Å |
| 334 | T | 57.8 | Low | 53.1 | Low | 68 Ų | 68 | 128.8 Ų | 128.8 | 42% | 0.417 | 68% | 0.68 | S | S | . | * | trans | -74.5 | 133 | 170.4 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | G321 N322 Y324 | G321-T334 CarbonylContact C-O 3.5Å; G321-T334 VanDerWaalsContact C-O 3.26Å; G321-T334 WeakPolarHBondContact CA-O 3.27Å; N322-T334 PolarHBondContact N-O 2.96Å; N322-T334 PolarHBondContact N-OG1 3.43Å; N322-T334 PolarHBondContact O-N 2.94Å; N322-T334 PolarHBondContact O-OG1 2.63Å; Y324-T334 HydrophobicContact CE2-CG2 4.41Å | ||
| 335 | R | 60.4 | Low | 51.3 | Low | 196 Ų | 196 | 127.9 Ų | 127.9 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | trans | -115.8 | 132.3 | 169.7 | -66.3 | -176 | -178.3 | -121.8 | 6.3 | 108.4 | ||||
| 336 | R | 51.1 | Low | 49 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 121.5 | 162.4 | -77.3 | -175.1 | -77.7 | -148.9 | -3.8 | 108 | ||
| 337 | A | 38.3 | Very low | 46.7 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 338 | C | 37.6 | Very low | 46.1 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 121.7 | 170.4 | -64 | 0 | 0 | 0 | 0 | 108.5 | ||
| 339 | L | 33.5 | Very low | 44.3 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 133.4 | 173.1 | -169.6 | 71.1 | 0 | 0 | 0 | 109.3 | D341 | L339-D341 PolarHBondContact O-N 3.19Š|
| 340 | T | 32.3 | Very low | 43.2 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -91.7 | 91.1 | -177.3 | 51 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 341 | D | 30.3 | Very low | 42.3 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -74.4 | 123.5 | 170.5 | -84.7 | -44 | 0 | 0 | 0 | 111.7 | L339 | L339-D341 PolarHBondContact O-N 3.19Š| ||
| 342 | N | 32.8 | Very low | 40.1 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | -147.8 | 59.8 | 167.2 | -96.1 | -65.4 | 0 | 0 | 0 | 110.9 | ||||
| 343 | L | 34.2 | Very low | 39.1 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -111.7 | 101.6 | 171.9 | -95.2 | 168 | 0 | 0 | 0 | 110.9 | V345 | L343-V345 VanDerWaalsContact C-N 3.28Å; L343-V345 HydrophobicContact CD2-CG2 4.01Å; L343-V345 PolarHBondContact O-N 3.47Å | ||
| 344 | K | 33.3 | Very low | 37.6 | Very low | 218 Ų | 218 | 137.3 Ų | 137.3 | 95% | 0.948 | 78% | 0.782 | S | S | * | * | trans | -81.9 | 73.1 | 172.1 | -168 | 176.9 | -178.6 | 177.5 | 0 | 110.5 | ||||
| 345 | V | 32.1 | Very low | 36.3 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | -117.6 | 141.8 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | L343 | L343-V345 VanDerWaalsContact C-N 3.28Å; L343-V345 HydrophobicContact CD2-CG2 4.01Å; L343-V345 PolarHBondContact O-N 3.47Å | ||
| 346 | A | 29.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 143.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 347 | S | 24.7 | Very low | 34.8 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -104.7 | 163.4 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 348 | P | 43.7 | Very low | 34.9 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | cis | -129 | 163.5 | -8.1 | 26.2 | -5.8 | 0 | 0 | 0 | 115.1 | ||||
| 349 | V | 29.5 | Very low | 34.4 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -137.9 | 143.1 | 144.6 | -177.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 350 | R | 35.4 | Very low | 34.5 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -105.1 | 133.7 | -180 | -66.7 | 179.7 | 173.1 | -168.7 | -1.6 | 112.1 | ||||
| 351 | L | 37.4 | Very low | 34.6 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 96% | 0.963 | 81% | 0.814 | S | S | * | * | trans | -170.1 | 158.2 | 147.2 | -124.1 | 79.3 | 0 | 0 | 0 | 107 | ||||
| 352 | G | 28.9 | Very low | 34.5 | Very low | 70 Ų | 70 | 148.3 Ų | 148.3 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 176.1 | -11.1 | 2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 353 | G | 42.4 | Very low | 34.4 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 69.6 | -170.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 354 | P | 45.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -131.6 | 162.2 | -23.4 | 36.6 | -20.4 | 0 | 0 | 0 | 114.6 | ||||
| 355 | F | 30.6 | Very low | 33.9 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | 37.1 | 129.3 | 155.2 | -81.5 | -92.8 | 0 | 0 | 0 | 122.8 | ||||
| 356 | K | 40.8 | Very low | 33.9 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -157.1 | 144.7 | 137.4 | -111.7 | 157.4 | -171.6 | 173.3 | 0 | 112.5 | ||||
| 357 | K | 37.2 | Very low | 33.8 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -78.5 | 156.3 | 176.1 | -74.1 | -173.7 | 170.9 | -166.6 | 0 | 111.9 | ||||
| 358 | L | 40.3 | Very low | 34.2 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -155.8 | 130.2 | 134.8 | -113.4 | 171.8 | 0 | 0 | 0 | 111.2 | ||||
| 359 | D | 28.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | trans | -98.6 | 141.1 | 167.5 | -75.8 | -71 | 0 | 0 | 0 | 109.5 | ||||
| 360 | K | 35.1 | Very low | 33.8 | Very low | 185 Ų | 185 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 161.3 | 119.6 | 128.1 | -91.1 | 179.8 | 175 | -173.9 | 0 | 115.5 | |||||
| 361 | L | 35 | Very low | 33.5 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | 64 | 161 | 128.5 | -58 | 172.9 | 0 | 0 | 0 | 121.9 | |||||
| 362 | A | 27.9 | Very low | 33 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 69.9 | 123.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 363 | V | 29.7 | Very low | 33 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | cis | 75.1 | 138.7 | 26.9 | -167.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 364 | T | 28.1 | Very low | 32.6 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | 78.1 | 148.7 | -171.6 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 365 | H | 29.2 | Very low | 31.8 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | cis | -164 | 167.6 | -11.2 | 155.1 | -89.2 | 0 | 0 | 0 | 109.2 | ||||
| 366 | E | 33.5 | Very low | 31.7 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -71.5 | 147.8 | 176 | -57.7 | -174.6 | 145.3 | 0 | 0 | 112.1 | ||||
| 367 | E | 27.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -156.9 | 145.3 | 143.4 | -140.7 | 174.6 | 114.6 | 0 | 0 | 112.4 | ||||
| 368 | N | 32 | Very low | 31.6 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -98 | 124.7 | 171.5 | -70.9 | -85.4 | 0 | 0 | 0 | 108.8 | ||||
| 369 | V | 27.2 | Very low | 31.1 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -117.5 | 129.4 | -179.9 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | P | 37.6 | Very low | 31.1 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -88 | 158.9 | -171.4 | 34.9 | -36.6 | 0 | 0 | 0 | 114 | ||||
| 371 | L | 29.2 | Very low | 31 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -84.1 | 126 | 169.4 | -69.1 | 171.3 | 0 | 0 | 0 | 111.1 | ||||
| 372 | N | 28.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -161.8 | 129.9 | 159.5 | -125.2 | -34.6 | 0 | 0 | 0 | 113.4 | ||||
| 373 | T | 29.2 | Very low | 31 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -139.8 | 105.5 | 166.4 | 52.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 374 | L | 32.1 | Very low | 31.2 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | 60.1 | 127.7 | 102.2 | -131.8 | 75.8 | 0 | 0 | 0 | 113.4 | |||||
| 375 | S | 29 | Very low | 31.3 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | cis | -159.1 | 146.1 | 25.3 | 66.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 376 | K | 29.9 | Very low | 31.3 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | 54.9 | 129.9 | 140.8 | -68 | -178.9 | 176.7 | 179.5 | 0 | 122.7 | ||||
| 377 | G | 28 | Very low | 31.4 | Very low | 68 Ų | 68 | 151.3 Ų | 151.3 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | -88.1 | -160.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 378 | P | 46.1 | Very low | 32 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | -144.7 | -166.6 | 71 | 41.4 | -23.2 | 0 | 0 | 0 | 116.1 | |||||
| 379 | F | 31.1 | Very low | 31.7 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | trans | -89.3 | 161.3 | -162.8 | -47.9 | -93.6 | 0 | 0 | 0 | 116.9 | ||||
| 380 | S | 28.4 | Very low | 31.8 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -149.8 | 169 | 141.3 | -164.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 381 | T | 32.8 | Very low | 31.4 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | trans | -111.1 | 141.4 | -164.5 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 382 | E | 29.3 | Very low | 31.2 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | -156.7 | 176.2 | 132.7 | -130.8 | -178.2 | 133.8 | 0 | 0 | 112.6 | ||||
| 383 | K | 34.3 | Very low | 31.2 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -146.5 | 114.2 | -160.7 | 177.1 | -168.6 | 178.8 | -175.2 | 0 | 112 | ||||
| 384 | M | 32.6 | Very low | 31 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -144 | 156.3 | 167.5 | -168.7 | 49.9 | 163.2 | 0 | 0 | 111.1 | ||||
| 385 | N | 29.8 | Very low | 31.4 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -108.7 | 177.8 | -163.5 | -61.4 | -71.5 | 0 | 0 | 0 | 114.3 | ||||
| 386 | A | 29.2 | Very low | 31.4 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 104.3 | 154.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 387 | R | 35.5 | Very low | 31.8 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -118.3 | 167.2 | -169.3 | -99.1 | -175.3 | 179.4 | -173.7 | 0.2 | 110.6 | ||||
| 388 | P | 40.4 | Very low | 31.9 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 168.1 | -161 | 35.5 | -38.3 | 0 | 0 | 0 | 114.6 | ||||
| 389 | T | 26 | Very low | 31 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -128 | 132.5 | 173.6 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 390 | L | 29.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -101.3 | 143.5 | 168.7 | 161.4 | 155.7 | 0 | 0 | 0 | 108.7 | ||||
| 391 | V | 27.9 | Very low | 31 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -156.5 | 136.1 | 161.1 | 126.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 392 | T | 25.1 | Very low | 31 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 148.1 | 167.8 | -61.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 393 | F | 28.7 | Very low | 31.1 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -174.6 | 160.2 | 146.5 | -87.8 | -49.6 | 0 | 0 | 0 | 114 | ||||
| 394 | A | 24.8 | Very low | 30.8 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -156.8 | 178.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 395 | P | 40.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | cis | -137 | -176.5 | -5.3 | 43.6 | -26.9 | 0 | 0 | 0 | 115.9 | ||||
| 396 | C | 28.6 | Very low | 30.8 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 68.5 | 171.9 | 156.5 | -66.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 397 | P | 39.7 | Very low | 31.7 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -135.2 | -170.1 | 6.2 | 36.8 | -14.6 | 0 | 0 | 0 | 117.2 | ||||
| 398 | V | 29.2 | Very low | 31.2 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 74.4 | 140.3 | 169.2 | -169 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 399 | G | 28.1 | Very low | 30.6 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 160.6 | 159.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 400 | T | 29.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | -118 | -119.7 | 11.6 | 43.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 401 | D | 29.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | cis | -152.5 | -150.4 | 3.7 | -156.2 | 61.6 | 0 | 0 | 0 | 113.8 | ||||
| 402 | N | 32.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 150.5 | -162.6 | -68.3 | -66.4 | 0 | 0 | 0 | 114.6 | ||||
| 403 | T | 31.4 | Very low | 31 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | -152.1 | 156.3 | 53.3 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 404 | A | 28 | Very low | 30.9 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | -70.3 | 166.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 405 | V | 30.6 | Very low | 31.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -150.5 | 161.7 | 62.7 | 165.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 406 | K | 31.2 | Very low | 30.6 | Very low | 192 Ų | 192 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -127.8 | 176.4 | -178.8 | -98.2 | 179.9 | -179 | 173.3 | 0 | 109.7 | ||||
| 407 | P | 48 | Very low | 30.7 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -132.5 | -169.4 | -29.5 | 39.4 | -22.7 | 0 | 0 | 0 | 111.5 | ||||
| 408 | L | 25.5 | Very low | 30.3 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | 179.2 | 161.3 | 111.2 | -168.6 | 52.8 | 0 | 0 | 0 | 111.6 | |||||
| 409 | R | 27.8 | Very low | 30.2 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -104.2 | 145.1 | -175.2 | -178.8 | -159.3 | -144.3 | 176.7 | 7.9 | 110 | ||||
| 410 | N | 26.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -178.2 | 156.4 | 133 | -92.4 | -17.1 | 0 | 0 | 0 | 115 | ||||
| 411 | R | 32.7 | Very low | 30.3 | Very low | 234 Ų | 234 | 150.8 Ų | 150.8 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -83 | 158.6 | 163.1 | -75.1 | 168.7 | 144.4 | -174.6 | -5.4 | 109.9 | ||||
| 412 | L | 28.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | -170.4 | 176.6 | 122.2 | -104.9 | 165 | 0 | 0 | 0 | 113 | |||||
| 413 | K | 29.5 | Very low | 30.2 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -112.7 | 150.2 | 179.3 | -59 | 176.6 | 174 | -175.1 | 0 | 111.2 | ||||
| 414 | S | 26.7 | Very low | 30 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 177.6 | 172.6 | 136.6 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 415 | T | 28.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | cis | -177.4 | 146.4 | -45 | -78 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 416 | V | 28.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | 71.3 | 150.9 | 165.1 | 148 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 417 | E | 32.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | cis | -109 | 146.4 | 11 | -44.9 | -110.2 | 107.8 | 0 | 0 | 110.9 | ||||
| 418 | Q | 30.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | 69.8 | 139.8 | 72.6 | -151.2 | 177.7 | -32.9 | 0 | 0 | 113.6 | |||||
| 419 | E | 28.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -93.1 | -163.2 | 4 | -74.1 | -86.2 | 84.7 | 0 | 0 | 112.7 | ||||
| 420 | S | 28.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -145.9 | -152.1 | 4.7 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 421 | M | 30.4 | Very low | 29.8 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | trans | -155.1 | 179.8 | -165.1 | -136 | -176.9 | -177 | 0 | 0 | 116.9 | ||||
| 422 | I | 32.8 | Very low | 29.5 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | 82.4 | 100 | -177.1 | -52.2 | 169.1 | 0 | 0 | 0 | 111.3 | ||||
| 423 | D | 26.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | cis | 61.6 | 123.5 | 29.9 | -164.4 | 58.5 | 0 | 0 | 0 | 113.2 | K425 | D423-K425 IonicContact OD1-NZ 3.41Å; D423-K425 PolarHBondContact OD1-NZ 3.38Å; D423-K425 IonicContact OD2-NZ 2.77Å; D423-K425 PolarHBondContact OD2-NZ 2.94Å | ||
| 424 | S | 29 | Very low | 29.3 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | cis | -150.7 | -171.6 | 29.1 | -22.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 425 | K | 31.2 | Very low | 29.2 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | cis | -160 | 174.3 | -4.2 | -126.7 | 144 | -155.5 | 74.4 | 0 | 109.5 | D423 | D423-K425 IonicContact OD1-NZ 3.41Å; D423-K425 PolarHBondContact OD1-NZ 3.38Å; D423-K425 IonicContact OD2-NZ 2.77Å; D423-K425 PolarHBondContact OD2-NZ 2.94Å | ||
| 426 | N | 32.4 | Very low | 29.2 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -146.2 | 130 | 164.5 | 177 | -33.9 | 0 | 0 | 0 | 109.1 | ||||
| 427 | I | 30.8 | Very low | 29.3 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | -142.8 | 106.7 | 177.9 | -67.7 | -170.9 | 0 | 0 | 0 | 112 | ||||
| 428 | K | 30.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 61% | 0.609 | 74% | 0.738 | S | S | * | * | trans | 65.5 | 120.8 | 139.6 | -57.7 | -170.7 | 83.5 | -126.9 | 0 | 123.5 | ||||
| 429 | E | 28.9 | Very low | 29.2 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | 74 | 155.5 | 126 | -72.4 | 171.5 | -161.4 | 0 | 0 | 121.9 | |||||
| 430 | A | 31.7 | Very low | 29.3 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -117.9 | 154.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 431 | L | 28.2 | Very low | 29.6 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | -152.8 | 168.8 | 159.5 | -151.6 | 68.7 | 0 | 0 | 0 | 109.5 | ||||
| 432 | E | 26.3 | Very low | 30 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | -110.9 | 165.1 | -159.9 | -50.5 | 167.1 | 106.1 | 0 | 0 | 115.1 | ||||
| 433 | F | 25.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 141 Ų | 141 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 73.5 | 127.1 | 148.7 | -70 | -57.7 | 0 | 0 | 0 | 124.5 | ||||
| 434 | H | 27.1 | Very low | 31.3 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 40.1 | 128.9 | 142.4 | -68.6 | -61.6 | 0 | 0 | 0 | 123.6 | ||||
| 435 | S | 25.8 | Very low | 32.2 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | -162.3 | 149.5 | 122.1 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 436 | D | 28.9 | Very low | 32.7 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -113.3 | 132.1 | 179.1 | -58.4 | -80.8 | 0 | 0 | 0 | 112.2 | ||||
| 437 | H | 29.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -164.3 | 124.7 | 143 | -126.6 | 51.1 | 0 | 0 | 0 | 116.3 | ||||
| 438 | T | 30.6 | Very low | 33.6 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | trans | 42.7 | 114.9 | 139.3 | 62.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 439 | Q | 29.4 | Very low | 34.3 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 73.5 | 98.8 | 108.9 | -161.7 | 176.6 | 11.7 | 0 | 0 | 121.8 | |||||
| 440 | S | 30.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | -143.1 | 122.3 | 127 | 55.4 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 441 | D | 35.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 65.7 | 150 | 61.7 | -145.7 | 1.2 | 0 | 0 | 0 | 113.1 | |||||
| 442 | D | 37.2 | Very low | 36.3 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 94.9 | 149.5 | -168.9 | -58.8 | -28.1 | 0 | 0 | 0 | 117.9 | ||||
| 443 | E | 43.4 | Very low | 37.5 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 67.8 | 59.4 | 175.9 | -58.2 | -59.8 | 123.4 | 0 | 0 | 118.8 | L445 | E443-L445 PolarHBondContact O-N 3.42Š| ||
| 444 | E | 44.3 | Very low | 38.5 | Very low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 102.4 | 166.8 | -176.1 | -176.6 | -127.4 | 0 | 0 | 112.5 | W446 | E444-W446 PolarHBondContact O-N 2.91Å; E444-W446 PolarHBondContact OE2-NE1 3.3Å | ||
| 445 | L | 48.7 | Very low | 39.6 | Very low | 159 Ų | 159 | 152.1 Ų | 152.1 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 108.2 | 177 | -86.2 | 172.3 | 0 | 0 | 0 | 112.9 | E443 M447 | E443-L445 PolarHBondContact O-N 3.42Å; L445-M447 PolarHBondContact O-N 3.06Å | ||
| 446 | W | 40.7 | Very low | 40.3 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 92.6 | -178.4 | -81.4 | 64.4 | 0 | 0 | 0 | 114.1 | E444 | E444-W446 PolarHBondContact O-N 2.91Å; E444-W446 PolarHBondContact OE2-NE1 3.3Å | ||
| 447 | M | 40.4 | Very low | 41 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -79.7 | 126 | 168.4 | -73 | -64 | -71.6 | 0 | 0 | 111.5 | L445 | L445-M447 PolarHBondContact O-N 3.06Š| ||
| 448 | G | 41.1 | Very low | 41.8 | Very low | 46 Ų | 46 | 149.9 Ų | 149.9 | 47% | 0.474 | 77% | 0.774 | S | S | . | * | trans | -66.7 | 173 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | W450 | G448-W450 VanDerWaalsContact C-N 3.26Å; G448-W450 PolarHBondContact O-N 3.17Å | ||
| 449 | P | 45.2 | Very low | 42.7 | Very low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -79.6 | 56.6 | -161.8 | 34.3 | -39.4 | 0 | 0 | 0 | 114.6 | ||
| 450 | W | 46.6 | Very low | 43.1 | Very low | 234 Ų | 234 | 158 Ų | 158 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | -118.4 | 3.8 | -178.9 | -73.8 | 94.4 | 0 | 0 | 0 | 114.4 | G448 N452 | G448-W450 VanDerWaalsContact C-N 3.26Å; G448-W450 PolarHBondContact O-N 3.17Å; W450-N452 PolarHBondContact O-N 3.03Å | ||
| 451 | N | 41.4 | Very low | 43.7 | Very low | 154 Ų | 154 | 160.5 Ų | 160.5 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -101.2 | 59.2 | 180 | -163.3 | 25.4 | 0 | 0 | 0 | 112.5 | ||||
| 452 | N | 44 | Very low | 44.1 | Very low | 160 Ų | 160 | 161.5 Ų | 161.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -158.2 | 42.7 | 179 | -108 | -40.3 | 0 | 0 | 0 | 114.9 | W450 | W450-N452 PolarHBondContact O-N 3.03Š| ||
| 453 | L | 50.2 | Low | 44.5 | Very low | 154 Ų | 154 | 162.6 Ų | 162.6 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -125.1 | 76.1 | 165.3 | -95.6 | 96.9 | 0 | 0 | 0 | 111.6 | I455 | L453-I455 PolarHBondContact O-N 3.42Š| ||
| 454 | H | 46.9 | Very low | 44.6 | Very low | 179 Ų | 179 | 161.8 Ų | 161.8 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -81 | 97.4 | 167.6 | -161.5 | -66.5 | 0 | 0 | 0 | 109.3 | P456 | H454-P456 WeakPolarHBondContact O-CD 3.46Š| ||
| 455 | I | 50.1 | Low | 44.6 | Very low | 138 Ų | 138 | 161.8 Ų | 161.8 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | trans | -75.8 | 117.3 | 179.8 | -58.6 | 176.7 | 0 | 0 | 0 | 109.1 | L453 | L453-I455 PolarHBondContact O-N 3.42Š| ||
| 456 | P | 41.8 | Very low | 44.3 | Very low | 90 Ų | 90 | 162 Ų | 162 | 58% | 0.584 | 82% | 0.82 | S | S | * | * | trans | -74.9 | 130.9 | 179.5 | 29.9 | -33.5 | 0 | 0 | 0 | 111.4 | H454 T458 | H454-P456 WeakPolarHBondContact O-CD 3.46Å; P456-T458 VanDerWaalsContact C-N 3.28Å; P456-T458 PolarHBondContact O-N 3.45Å | ||
| 457 | M | 41.8 | Very low | 44.6 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -80.8 | 64.4 | -172.5 | -169.3 | 165 | 61.4 | 0 | 0 | 112.4 | ||
| 458 | T | 48.1 | Very low | 44.9 | Very low | 119 Ų | 119 | 156.1 Ų | 156.1 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | trans | -131.9 | 20.9 | -175.6 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | P456 | P456-T458 VanDerWaalsContact C-N 3.28Å; P456-T458 PolarHBondContact O-N 3.45Å | ||
| 459 | K | 47.8 | Very low | 45.2 | Very low | 204 Ų | 204 | 165.3 Ų | 165.3 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | -140.3 | 74.2 | 168.3 | -74.5 | -166.7 | 175.7 | -178 | 0 | 112.2 | ||||
| 460 | L | 38.3 | Very low | 45.2 | Very low | 239 Ų | 239 | 168.4 Ų | 168.4 | 100% | 1.251 | 84% | 0.841 | S | S | * | * | trans | -115.2 | 0 | 152.7 | -83.3 | 166.4 | 0 | 0 | 0 | 107.3 |
Retrieved 460 of 460 residues in 684.4 ms
(Link to these results)