| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 69.1 | Low | 83.1 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 43% | 0.433 | 17% | 0.173 | S | C | . | . | 0 | 86.6 | 0 | -81.6 | 179.9 | 175.4 | 0 | 0 | 108.5 | Y271 E272 Q307 V311 | M1-Y271 WeakPolarHBondContact CG-O 3.37Å; M1-E272 CarbonylContact C-O 3.55Å; M1-E272 VanDerWaalsContact C-O 3.31Å; M1-E272 WeakPolarHBondContact CA-O 3.48Å; M1-E272 VanDerWaalsContact N-CG 3.29Å; M1-E272 PolarHBondContact N-O 3.25Å; M1-Q307 HydrophobicContact CE-CB 4.13Å; M1-V311 HydrophobicContact CE-CG2 4.32Å | |||
| 2 | K | 79.5 | Confident | 83.5 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | trans | -59.3 | 133.1 | 167.2 | -168.2 | 175.8 | -179.7 | -176.7 | 0 | 108.1 | D9 E272 E273 F274 H275 F300 | K2-D9 WeakPolarHBondContact CE-OD2 3.45Å; K2-D9 IonicContact NZ-OD1 2.84Å; K2-D9 PolarHBondContact NZ-OD1 3.24Å; K2-D9 IonicContact NZ-OD2 3.71Å; K2-D9 PolarHBondContact NZ-OD2 3.47Å; K2-E272 PolarHBondContact N-O 2.86Å; K2-E273 HydrophobicContact CB-CB 4.19Å; K2-E273 HydrophobicContact CB-CG 4.15Å; K2-E273 HydrophobicContact CD-CB 4.42Å; K2-F274 HydrophobicContact CB-CD1 4.22Å; K2-F274 HydrophobicContact CB-CE1 3.9Å; K2-F274 HydrophobicContact CD-CD1 4.09Å; K2-F274 HydrophobicContact CD-CD2 4.4Å; K2-F274 HydrophobicContact CD-CE1 3.85Å; K2-F274 HydrophobicContact CD-CE2 4.16Å; K2-F274 HydrophobicContact CD-CG 4.35Å; K2-F274 HydrophobicContact CD-CZ 3.87Å; K2-F274 WeakPolarHBondContact CD-O 3.45Å; K2-F274 HydrophobicContact CG-CD1 4.35Å; K2-F274 HydrophobicContact CG-CE1 3.77Å; K2-F274 HydrophobicContact CG-CZ 3.97Å; K2-F274 PolarHBondContact NZ-O 2.92Å; K2-H275 PolarHBondContact NZ-ND1 2.74Å; K2-F300 WeakPolarHBondContact O-CE1 3.5Å; K2-F300 WeakPolarHBondContact O-CZ 3.38Å | ||
| 3 | T | 76.7 | Confident | 84 | Confident | 73 Ų | 73 | 30.9 Ų | 30.9 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | trans | -133.8 | 2.6 | -173.2 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4 | R | 83.9 | Confident | 84.4 | Confident | 96 Ų | 96 | 29.7 Ų | 29.7 | 36% | 0.362 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -146.3 | 153.6 | -178.8 | -58.5 | -174.3 | 179.1 | -124.2 | 10.8 | 108.5 | G55 L56 D118 | R4-G55 PolarHBondContact NH1-O 3.45Å; R4-L56 WeakPolarHBondContact CA-O 3.37Å; R4-L56 HydrophobicContact CG-CD2 3.86Å; R4-D118 PolarHBondContact NH1-O 3.31Å; R4-D118 PolarHBondContact NH2-O 2.98Å |
| 5 | F | 87.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | trans | -78 | 140.8 | 171.1 | -78.2 | 24.7 | 0 | 0 | 0 | 112.1 | D9 I10 V13 L56 R57 I58 F274 V297 | F5-D9 HydrophobicContact CB-CB 4.06Å; F5-D9 HydrophobicContact CD2-CB 3.92Å; F5-D9 HydrophobicContact CE2-CB 4.47Å; F5-D9 HydrophobicContact CG-CB 3.94Å; F5-I10 HydrophobicContact CB-CD1 4.21Å; F5-I10 HydrophobicContact CB-CG1 3.83Å; F5-I10 HydrophobicContact CD2-CG1 3.92Å; F5-I10 HydrophobicContact CG-CG1 4.42Å; F5-V13 HydrophobicContact CE2-CB 4.41Å; F5-V13 HydrophobicContact CE2-CG2 3.81Å; F5-V13 HydrophobicContact CZ-CG2 4.32Å; F5-L56 PolarHBondContact N-O 3.14Å; F5-R57 HydrophobicContact CD1-CB 3.64Å; F5-R57 HydrophobicContact CE1-CB 3.36Å; F5-R57 HydrophobicContact CE2-CB 4.36Å; F5-R57 HydrophobicContact CG-CB 4.28Å; F5-R57 HydrophobicContact CZ-CB 3.76Å; F5-I58 WeakPolarHBondContact CE2-O 3.43Å; F5-I58 VanDerWaalsContact CZ-O 3.24Å; F5-I58 WeakPolarHBondContact CZ-O 3.32Å; F5-F274 AromaticContact CD1-CE2 3.84Å; F5-F274 HydrophobicContact CD1-CE2 3.84Å; F5-F274 AromaticContact CD1-CZ 3.82Å; F5-F274 HydrophobicContact CD1-CZ 3.82Å; F5-F274 AromaticContact CE1-CE2 3.62Å; F5-F274 HydrophobicContact CE1-CE2 3.62Å; F5-F274 AromaticContact CE1-CZ 3.8Å; F5-F274 HydrophobicContact CE1-CZ 3.8Å; F5-F274 HydrophobicContact CZ-CE2 4.47Å; F5-V297 HydrophobicContact CE1-CG1 3.94Å; F5-V297 HydrophobicContact CE1-CG2 4.26Å; F5-V297 HydrophobicContact CZ-CG1 3.88Å; F5-V297 HydrophobicContact CZ-CG2 3.95Å | ||
| 6 | N | 85.8 | Confident | 84.8 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 22% | 0.219 | 13% | 0.134 | C | C | . | . | trans | -88.2 | 169.1 | 164.2 | -66.9 | -18.2 | 0 | 0 | 0 | 110 | V8 D9 I10 T197 | N6-V8 VanDerWaalsContact C-N 3.25Å; N6-V8 PolarHBondContact O-N 3.14Å; N6-D9 WeakPolarHBondContact CB-OD2 3.24Å; N6-D9 PolarHBondContact N-OD2 3.24Å; N6-D9 PolarHBondContact O-N 2.99Å; N6-D9 VanDerWaalsContact O-N 3.17Å; N6-I10 WeakPolarHBondContact O-CG1 3.21Å; N6-I10 PolarHBondContact O-N 3.38Å; N6-I10 VanDerWaalsContact O-N 3.12Å; N6-T197 PolarHBondContact ND2-OG1 3.22Å | ||
| 7 | T | 84.4 | Confident | 85 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.9 | -41.6 | 177.4 | -33.8 | 0 | 0 | 0 | 0 | 112.5 | I10 R11 V95 P193 M238 | T7-I10 PolarHBondContact O-N 2.66Å; T7-R11 PolarHBondContact O-N 2.65Å; T7-R11 VanDerWaalsContact O-N 3.09Å; T7-V95 HydrophobicContact CG2-CG1 4.45Å; T7-V95 WeakPolarHBondContact CG2-O 3.46Å; T7-P193 WeakPolarHBondContact CB-O 3.26Å; T7-P193 PolarHBondContact OG1-O 3.41Å; T7-M238 HydrophobicContact CG2-CE 4.19Å |
| 8 | V | 84.8 | Confident | 85.2 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | N6 I10 R11 A12 L198 M238 T241 P276 F277 | N6-V8 VanDerWaalsContact C-N 3.25Å; N6-V8 PolarHBondContact O-N 3.14Å; V8-I10 VanDerWaalsContact C-N 3.32Å; V8-I10 PolarHBondContact O-N 3.17Å; V8-R11 PolarHBondContact O-N 3.4Å; V8-A12 PolarHBondContact O-N 3.13Å; V8-A12 VanDerWaalsContact O-N 3.11Å; V8-L198 HydrophobicContact CG2-CB 4.23Å; V8-L198 HydrophobicContact CG2-CD2 3.85Å; V8-M238 HydrophobicContact CG2-SD 4.01Å; V8-T241 HydrophobicContact CG1-CG2 3.78Å; V8-P276 HydrophobicContact CG1-CG 4.03Å; V8-F277 HydrophobicContact CG1-CE2 4.45Å |
| 9 | D | 88.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 179.2 | -49.8 | -41.2 | 0 | 0 | 0 | 111.1 | K2 F5 N6 V13 P276 F293 | K2-D9 WeakPolarHBondContact CE-OD2 3.45Å; K2-D9 IonicContact NZ-OD1 2.84Å; K2-D9 PolarHBondContact NZ-OD1 3.24Å; K2-D9 IonicContact NZ-OD2 3.71Å; K2-D9 PolarHBondContact NZ-OD2 3.47Å; F5-D9 HydrophobicContact CB-CB 4.06Å; F5-D9 HydrophobicContact CD2-CB 3.92Å; F5-D9 HydrophobicContact CE2-CB 4.47Å; F5-D9 HydrophobicContact CG-CB 3.94Å; N6-D9 WeakPolarHBondContact CB-OD2 3.24Å; N6-D9 PolarHBondContact N-OD2 3.24Å; N6-D9 PolarHBondContact O-N 2.99Å; N6-D9 VanDerWaalsContact O-N 3.17Å; D9-V13 PolarHBondContact O-N 3.01Å; D9-V13 VanDerWaalsContact O-N 3.1Å; D9-P276 WeakPolarHBondContact OD1-CD 3.46Å; D9-F293 HydrophobicContact CB-CE1 3.91Å; D9-F293 HydrophobicContact CB-CZ 3.92Å |
| 10 | I | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 178.4 | -69.2 | 163.9 | 0 | 0 | 0 | 110.7 | F5 N6 T7 V8 I14 R97 V99 L116 | F5-I10 HydrophobicContact CB-CD1 4.21Å; F5-I10 HydrophobicContact CB-CG1 3.83Å; F5-I10 HydrophobicContact CD2-CG1 3.92Å; F5-I10 HydrophobicContact CG-CG1 4.42Å; N6-I10 WeakPolarHBondContact O-CG1 3.21Å; N6-I10 PolarHBondContact O-N 3.38Å; N6-I10 VanDerWaalsContact O-N 3.12Å; T7-I10 PolarHBondContact O-N 2.66Å; V8-I10 VanDerWaalsContact C-N 3.32Å; V8-I10 PolarHBondContact O-N 3.17Å; I10-I14 HydrophobicContact CG2-CD1 3.56Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 WeakPolarHBondContact O-CB 3.34Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.2Å; I10-R97 HydrophobicContact CD1-CB 3.65Å; I10-R97 HydrophobicContact CD1-CG 3.66Å; I10-V99 HydrophobicContact CG2-CG2 3.82Å; I10-L116 HydrophobicContact CD1-CB 4.3Å; I10-L116 HydrophobicContact CD1-CD1 3.74Å; I10-L116 HydrophobicContact CG1-CD1 3.86Å |
| 11 | R | 87 | Confident | 85.2 | Confident | 66 Ų | 66 | 33 Ų | 33 | 25% | 0.249 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.3 | -75 | -174.3 | 170.4 | -158.5 | -3.4 | 112.2 | T7 V8 V13 I14 A15 T241 | T7-R11 PolarHBondContact O-N 2.65Å; T7-R11 VanDerWaalsContact O-N 3.09Å; V8-R11 PolarHBondContact O-N 3.4Å; R11-V13 PolarHBondContact O-N 3.34Å; R11-I14 PolarHBondContact O-N 3.09Å; R11-A15 PolarHBondContact O-N 3.32Å; R11-T241 WeakPolarHBondContact CB-OG1 3.46Å; R11-T241 WeakPolarHBondContact CD-OG1 3.34Å |
| 12 | A | 87.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -50.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V8 I14 A15 E16 F244 P276 F293 | V8-A12 PolarHBondContact O-N 3.13Å; V8-A12 VanDerWaalsContact O-N 3.11Å; A12-I14 PolarHBondContact O-N 3.36Å; A12-A15 WeakPolarHBondContact O-CB 3.32Å; A12-A15 PolarHBondContact O-N 3.45Å; A12-E16 PolarHBondContact O-N 2.89Å; A12-F244 HydrophobicContact CB-CD1 4.02Å; A12-F244 HydrophobicContact CB-CD2 4.3Å; A12-F244 HydrophobicContact CB-CE1 4.21Å; A12-F244 HydrophobicContact CB-CE2 4.48Å; A12-F244 HydrophobicContact CB-CG 4.06Å; A12-F244 HydrophobicContact CB-CZ 4.44Å; A12-P276 HydrophobicContact CB-CB 3.67Å; A12-P276 HydrophobicContact CB-CG 4.11Å; A12-F293 HydrophobicContact CB-CD1 3.91Å; A12-F293 HydrophobicContact CB-CE1 4.3Å |
| 13 | V | 89.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 112.7 | F5 D9 R11 A15 E16 I17 I58 F293 | F5-V13 HydrophobicContact CE2-CB 4.41Å; F5-V13 HydrophobicContact CE2-CG2 3.81Å; F5-V13 HydrophobicContact CZ-CG2 4.32Å; D9-V13 PolarHBondContact O-N 3.01Å; D9-V13 VanDerWaalsContact O-N 3.1Å; R11-V13 PolarHBondContact O-N 3.34Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.19Å; V13-E16 PolarHBondContact O-N 2.9Å; V13-I17 HydrophobicContact CG1-CD1 3.46Å; V13-I17 VanDerWaalsContact CG1-CD1 3.46Å; V13-I17 HydrophobicContact CG1-CG1 3.99Å; V13-I17 VanDerWaalsContact O-CB 3.32Å; V13-I17 WeakPolarHBondContact O-CB 3.2Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.19Å; V13-I17 PolarHBondContact O-N 3.36Å; V13-I58 HydrophobicContact CG1-CG2 4.22Å; V13-F293 HydrophobicContact CG2-CD1 3.53Å; V13-F293 HydrophobicContact CG2-CE1 3.74Å |
| 14 | I | 89.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 175.5 | -71.8 | 171.8 | 0 | 0 | 0 | 111.1 | I10 R11 A12 N18 V90 Q92 V99 | I10-I14 HydrophobicContact CG2-CD1 3.56Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 WeakPolarHBondContact O-CB 3.34Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.2Å; R11-I14 PolarHBondContact O-N 3.09Å; A12-I14 PolarHBondContact O-N 3.36Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.5Å; I14-N18 WeakPolarHBondContact O-CB 3.38Å; I14-N18 PolarHBondContact O-N 2.97Å; I14-N18 PolarHBondContact O-ND2 3.36Å; I14-V90 HydrophobicContact CG1-CG1 3.99Å; I14-V90 HydrophobicContact CG2-CB 4.43Å; I14-V90 HydrophobicContact CG2-CG1 4.13Å; I14-Q92 HydrophobicContact CD1-CB 4.04Å; I14-V99 HydrophobicContact CD1-CB 4.47Å; I14-V99 HydrophobicContact CD1-CG1 3.82Å; I14-V99 HydrophobicContact CD1-CG2 4.04Å; I14-V99 HydrophobicContact CG1-CG1 4.09Å |
| 15 | A | 88.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 32.1 Ų | 32.1 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -48.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R11 A12 V13 I17 N18 A19 F244 | R11-A15 PolarHBondContact O-N 3.32Å; A12-A15 WeakPolarHBondContact O-CB 3.32Å; A12-A15 PolarHBondContact O-N 3.45Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.19Å; A15-I17 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3Å; A15-N18 PolarHBondContact O-N 3.41Å; A15-A19 WeakPolarHBondContact O-CB 3.29Å; A15-A19 PolarHBondContact O-N 2.91Å; A15-F244 HydrophobicContact CB-CB 3.85Å |
| 16 | E | 87.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 176 | -69 | -167.7 | 157.6 | 0 | 0 | 112.4 | A12 V13 A19 N20 F244 T292 F293 D294 | A12-E16 PolarHBondContact O-N 2.89Å; V13-E16 PolarHBondContact O-N 2.9Å; E16-A19 PolarHBondContact O-N 2.72Å; E16-N20 WeakPolarHBondContact O-CB 3.5Å; E16-N20 PolarHBondContact O-N 3.24Å; E16-N20 PolarHBondContact O-ND2 3.24Å; E16-F244 HydrophobicContact CG-CD1 3.98Å; E16-F244 HydrophobicContact CG-CE1 4.35Å; E16-T292 WeakPolarHBondContact OE1-CB 3.31Å; E16-F293 PolarHBondContact OE1-N 3.28Å; E16-F293 PolarHBondContact OE2-N 3.39Å; E16-D294 WeakPolarHBondContact OE2-CB 3.46Å; E16-D294 PolarHBondContact OE2-N 3.5Å |
| 17 | I | 88.4 | Confident | 88 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 177.9 | -72.6 | 171.9 | 0 | 0 | 0 | 111.3 | V13 A15 Y21 L50 I58 L87 V90 | V13-I17 HydrophobicContact CG1-CD1 3.46Å; V13-I17 VanDerWaalsContact CG1-CD1 3.46Å; V13-I17 HydrophobicContact CG1-CG1 3.99Å; V13-I17 VanDerWaalsContact O-CB 3.32Å; V13-I17 WeakPolarHBondContact O-CB 3.2Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.19Å; V13-I17 PolarHBondContact O-N 3.36Å; A15-I17 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3Å; I17-Y21 HydrophobicContact CB-CD2 4.17Å; I17-Y21 HydrophobicContact CG1-CD2 4.04Å; I17-Y21 HydrophobicContact CG1-CE2 4.24Å; I17-Y21 HydrophobicContact CG2-CD2 4.17Å; I17-Y21 PolarHBondContact O-N 3.41Å; I17-L50 HydrophobicContact CD1-CD1 3.52Å; I17-L50 HydrophobicContact CG1-CD1 4.28Å; I17-I58 HydrophobicContact CD1-CD1 4.31Å; I17-I58 HydrophobicContact CD1-CG1 4.21Å; I17-L87 HydrophobicContact CG2-CD2 4.43Å; I17-V90 HydrophobicContact CG2-CB 4.34Å; I17-V90 HydrophobicContact CG2-CG2 3.7Å |
| 18 | N | 88.7 | Confident | 88.3 | Confident | 42 Ų | 42 | 33.7 Ų | 33.7 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 177.3 | -79.4 | -47.1 | 0 | 0 | 0 | 111.7 | I14 A15 L22 V90 | I14-N18 WeakPolarHBondContact CG2-ND2 3.5Å; I14-N18 WeakPolarHBondContact O-CB 3.38Å; I14-N18 PolarHBondContact O-N 2.97Å; I14-N18 PolarHBondContact O-ND2 3.36Å; A15-N18 PolarHBondContact O-N 3.41Å; N18-L22 HydrophobicContact CB-CD1 4.16Å; N18-L22 HydrophobicContact CB-CG 4.46Å; N18-L22 WeakPolarHBondContact O-CD1 3.42Å; N18-L22 WeakPolarHBondContact O-CG 3.44Å; N18-V90 PolarHBondContact ND2-O 3.1Å; N18-V90 PolarHBondContact OD1-N 3.49Å; N18-V90 VanDerWaalsContact OD1-N 3.08Å; N18-V90 PolarHBondContact OD1-O 3.11Å |
| 19 | A | 85.9 | Confident | 88.6 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 67% | 0.669 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -65.7 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A15 E16 | A15-A19 WeakPolarHBondContact O-CB 3.29Å; A15-A19 PolarHBondContact O-N 2.91Å; E16-A19 PolarHBondContact O-N 2.72Å |
| 20 | N | 84.3 | Confident | 88.7 | Confident | 95 Ų | 95 | 34.7 Ų | 34.7 | 51% | 0.508 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -96.8 | -32.9 | -168 | -67.7 | -59.5 | 0 | 0 | 0 | 115.2 | E16 | E16-N20 WeakPolarHBondContact O-CB 3.5Å; E16-N20 PolarHBondContact O-N 3.24Å; E16-N20 PolarHBondContact O-ND2 3.24Å |
| 21 | Y | 85.3 | Confident | 88.8 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 14% | 0.137 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -117.3 | -0.6 | -163.9 | -50 | -52.1 | 0 | 0 | 0 | 115.6 | I17 M24 L41 S60 | I17-Y21 HydrophobicContact CB-CD2 4.17Å; I17-Y21 HydrophobicContact CG1-CD2 4.04Å; I17-Y21 HydrophobicContact CG1-CE2 4.24Å; I17-Y21 HydrophobicContact CG2-CD2 4.17Å; I17-Y21 PolarHBondContact O-N 3.41Å; Y21-M24 HydrophobicContact CD1-SD 3.75Å; Y21-M24 HydrophobicContact CG-SD 4.35Å; Y21-M24 WeakPolarHBondContact O-CB 3.25Å; Y21-M24 VanDerWaalsContact O-CG 3.32Å; Y21-M24 WeakPolarHBondContact O-CG 3.16Å; Y21-M24 PolarHBondContact O-N 3.03Å; Y21-L41 HydrophobicContact CG-CD1 4.46Å; Y21-S60 VanDerWaalsContact OH-CB 3.24Å; Y21-S60 WeakPolarHBondContact OH-CB 3.46Å; Y21-S60 PolarHBondContact OH-OG 3.04Å |
| 22 | L | 87.5 | Confident | 88.7 | Confident | 79 Ų | 79 | 33.6 Ų | 33.6 | 41% | 0.414 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 141.6 | 176.3 | -75.1 | 179.4 | 0 | 0 | 0 | 112.6 | N18 M24 L87 T88 | N18-L22 HydrophobicContact CB-CD1 4.16Å; N18-L22 HydrophobicContact CB-CG 4.46Å; N18-L22 WeakPolarHBondContact O-CD1 3.42Å; N18-L22 WeakPolarHBondContact O-CG 3.44Å; L22-M24 PolarHBondContact O-N 2.92Å; L22-L87 HydrophobicContact CD2-CG 4.37Å; L22-T88 WeakPolarHBondContact CD2-O 3.2Å |
| 23 | G | 86.4 | Confident | 88.4 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -11 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L87 | G23-L87 WeakPolarHBondContact CA-O 3.47Å; G23-L87 PolarHBondContact N-O 2.83Å |
| 24 | M | 90.8 | Very high | 88 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | trans | -64.3 | 146.6 | 174.4 | -61.5 | -173.7 | 85.1 | 0 | 0 | 111.3 | Y21 L22 L41 K43 T46 R86 L87 | Y21-M24 HydrophobicContact CD1-SD 3.75Å; Y21-M24 HydrophobicContact CG-SD 4.35Å; Y21-M24 WeakPolarHBondContact O-CB 3.25Å; Y21-M24 VanDerWaalsContact O-CG 3.32Å; Y21-M24 WeakPolarHBondContact O-CG 3.16Å; Y21-M24 PolarHBondContact O-N 3.03Å; L22-M24 PolarHBondContact O-N 2.92Å; M24-L41 HydrophobicContact CB-CB 3.98Å; M24-L41 HydrophobicContact CE-CB 4.17Å; M24-L41 HydrophobicContact SD-CB 4.02Å; M24-K43 HydrophobicContact CE-CB 4.09Å; M24-K43 HydrophobicContact CG-CB 4.34Å; M24-T46 WeakPolarHBondContact CE-O 3.3Å; M24-R86 CarbonylContact O-C 3.58Å; M24-R86 VanDerWaalsContact O-CA 3.31Å; M24-R86 WeakPolarHBondContact O-CA 3.05Å; M24-L87 PolarHBondContact O-N 2.93Å | ||
| 25 | R | 91.8 | Very high | 87.8 | Confident | 140 Ų | 140 | 45.3 Ų | 45.3 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 141.3 | 176.8 | -76.1 | -178.2 | 160.2 | 163.2 | -2.5 | 111.7 | N27 L41 Q42 S84 R85 R86 | R25-N27 PolarHBondContact O-N 3.05Å; R25-L41 CarbonylContact O-C 3.55Å; R25-L41 WeakPolarHBondContact O-CA 3.38Å; R25-Q42 PolarHBondContact N-O 3.25Å; R25-Q42 PolarHBondContact O-N 3.03Å; R25-S84 WeakPolarHBondContact CG-O 3.41Å; R25-S84 PolarHBondContact NE-O 3.27Å; R25-R85 CarbonylContact C-O 3.52Å; R25-R85 VanDerWaalsContact CA-O 3.31Å; R25-R85 WeakPolarHBondContact CA-O 3.36Å; R25-R86 HydrophobicContact CG-CG 3.75Å |
| 26 | V | 92.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 111.2 | 169.2 | 180 | 0 | 0 | 0 | 0 | 109.1 | V29 I39 L41 L82 S84 R85 F103 | V26-V29 HydrophobicContact CG1-CG2 3.97Å; V26-I39 HydrophobicContact CG1-CG2 4.08Å; V26-I39 HydrophobicContact CG2-CG2 4.09Å; V26-L41 HydrophobicContact CG2-CD2 3.85Å; V26-L82 WeakPolarHBondContact CB-O 3.18Å; V26-L82 HydrophobicContact CG1-CB 4.49Å; V26-S84 PolarHBondContact O-N 3.19Å; V26-R85 PolarHBondContact N-O 2.87Å; V26-F103 HydrophobicContact CG2-CD1 3.57Å; V26-F103 HydrophobicContact CG2-CE1 3.37Å; V26-F103 HydrophobicContact CG2-CZ 4.26Å |
| 27 | N | 91.9 | Very high | 88 | Confident | 56 Ų | 56 | 45.2 Ų | 45.2 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -55.2 | 171.7 | 174.2 | -42 | 0 | 0 | 0 | 109.7 | R25 R40 Q42 | R25-N27 PolarHBondContact O-N 3.05Å; N27-R40 HydrophobicContact CB-CG 4.23Å; N27-R40 PolarHBondContact N-O 3.03Å; N27-Q42 HydrophobicContact CB-CB 4.24Å; N27-Q42 PolarHBondContact ND2-OE1 2.93Å |
| 28 | N | 90.4 | Very high | 88.2 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 159.9 | -177.5 | -156.9 | -7.3 | 0 | 0 | 0 | 111.6 | Y30 R40 R79 | N28-Y30 HydrophobicContact CB-CE2 3.83Å; N28-R40 PolarHBondContact O-N 2.6Å; N28-R79 WeakPolarHBondContact OD1-CD 3.15Å; N28-R79 VanDerWaalsContact OD1-CZ 3.28Å; N28-R79 PolarHBondContact OD1-NE 2.67Å; N28-R79 VanDerWaalsContact OD1-NE 3.08Å |
| 29 | V | 91.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.1 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 109 | V26 L38 I39 C78 R79 | V26-V29 HydrophobicContact CG1-CG2 3.97Å; V29-L38 CarbonylContact C-O 3.57Å; V29-L38 WeakPolarHBondContact CA-O 3.15Å; V29-I39 HydrophobicContact CG1-CG1 4.3Å; V29-I39 HydrophobicContact CG2-CG1 4.33Å; V29-I39 HydrophobicContact CG2-CG2 4.43Å; V29-C78 HydrophobicContact CB-CB 4.38Å; V29-C78 HydrophobicContact CG1-CB 4.11Å; V29-C78 HydrophobicContact CG2-CB 4.31Å; V29-R79 HydrophobicContact CB-CG 4.25Å; V29-R79 VanDerWaalsContact O-CZ 3.25Å; V29-R79 PolarHBondContact O-NE 2.95Å; V29-R79 PolarHBondContact O-NH2 2.76Å |
| 30 | Y | 90.1 | Very high | 88.7 | Confident | 20 Ų | 20 | 43 Ų | 43 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 158.7 | 176.3 | -51.7 | -98.3 | 0 | 0 | 0 | 109.7 | N28 Y37 L38 R40 K67 D965 | N28-Y30 HydrophobicContact CB-CE2 3.83Å; Y30-Y37 CarbonylContact O-C 3.53Å; Y30-Y37 WeakPolarHBondContact O-CA 3.33Å; Y30-L38 PolarHBondContact N-O 3.5Å; Y30-L38 PolarHBondContact O-N 3.45Å; Y30-R40 HydrophobicContact CE2-CB 4.28Å; Y30-K67 HydrophobicContact CD1-CB 4.34Å; Y30-K67 HydrophobicContact CD1-CD 3.94Å; Y30-K67 HydrophobicContact CD1-CG 4.2Å; Y30-K67 HydrophobicContact CE1-CD 3.89Å; Y30-K67 HydrophobicContact CG-CG 4.47Å; Y30-D965 PolarHBondContact OH-OD2 3.16Å |
| 31 | D | 88.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 157.8 | 163.8 | 57.2 | -31.1 | 0 | 0 | 0 | 109.8 | T36 Y37 N68 P71 S72 A75 | D31-T36 WeakPolarHBondContact CA-O 3.44Å; D31-Y37 HydrophobicContact CB-CD1 3.86Å; D31-Y37 HydrophobicContact CB-CE1 3.78Å; D31-N68 VanDerWaalsContact O-CB 3.28Å; D31-N68 WeakPolarHBondContact O-CB 3.45Å; D31-N68 PolarHBondContact O-N 3.05Å; D31-N68 PolarHBondContact OD2-ND2 3.1Å; D31-P71 VanDerWaalsContact OD1-CA 3.32Å; D31-P71 WeakPolarHBondContact OD1-CA 3.48Å; D31-S72 VanDerWaalsContact OD2-CB 3.32Å; D31-S72 WeakPolarHBondContact OD2-CB 3.41Å; D31-S72 PolarHBondContact OD2-N 2.95Å; D31-A75 HydrophobicContact CB-CB 4.45Å |
| 32 | I | 85 | Confident | 89.3 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.205 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -51.1 | 171.3 | -62 | 157.7 | 0 | 0 | 0 | 108.6 | T36 L38 W65 P66 | I32-T36 HydrophobicContact CD1-CG2 3.94Å; I32-T36 PolarHBondContact N-O 3.37Å; I32-L38 HydrophobicContact CD1-CD1 3.9Å; I32-L38 HydrophobicContact CD1-CD2 3.93Å; I32-L38 HydrophobicContact CD1-CG 3.81Å; I32-L38 HydrophobicContact CG1-CD1 3.92Å; I32-L38 HydrophobicContact CG1-CG 4.14Å; I32-W65 HydrophobicContact CD1-CB 3.68Å; I32-W65 HydrophobicContact CD1-CD2 3.99Å; I32-W65 HydrophobicContact CD1-CE3 3.87Å; I32-W65 HydrophobicContact CD1-CG 3.92Å; I32-W65 HydrophobicContact CG1-CB 4.22Å; I32-P66 HydrophobicContact CG2-CG 4.46Å |
| 33 | D | 81.4 | Confident | 89.3 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 171.5 | 174.6 | 178.4 | 38.2 | 0 | 0 | 0 | 109 | K35 T36 | D33-K35 PolarHBondContact O-N 3.44Å; D33-T36 PolarHBondContact O-N 3Å |
| 34 | T | 81.2 | Confident | 88.8 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 56% | 0.564 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | -4.1 | 173.6 | 60.3 | 0 | 0 | 0 | 0 | 117.3 | ||
| 35 | K | 85.9 | Confident | 88.2 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -15 | -178.2 | -57.4 | -178 | -169.2 | 167.5 | 0 | 114.7 | D33 S54 | D33-K35 PolarHBondContact O-N 3.44Å; K35-S54 WeakPolarHBondContact O-CB 3.37Å; K35-S54 PolarHBondContact O-N 3.4Å |
| 36 | T | 89.4 | Confident | 87.9 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.3 | -162.5 | -43.2 | 0 | 0 | 0 | 0 | 110 | D31 I32 D33 L51 V52 E53 | D31-T36 WeakPolarHBondContact CA-O 3.44Å; I32-T36 HydrophobicContact CD1-CG2 3.94Å; I32-T36 PolarHBondContact N-O 3.37Å; D33-T36 PolarHBondContact O-N 3Å; T36-L51 HydrophobicContact CG2-CD2 3.6Å; T36-L51 HydrophobicContact CG2-CG 4.14Å; T36-V52 WeakPolarHBondContact CA-O 3.46Å; T36-E53 HydrophobicContact CG2-CB 4.16Å; T36-E53 HydrophobicContact CG2-CG 4.21Å |
| 37 | Y | 91.9 | Very high | 87.7 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.8 | -171.7 | -65 | -93.6 | 0 | 0 | 0 | 110.5 | Y30 D31 L51 V52 S72 F74 A75 I122 L135 | Y30-Y37 CarbonylContact O-C 3.53Å; Y30-Y37 WeakPolarHBondContact O-CA 3.33Å; D31-Y37 HydrophobicContact CB-CD1 3.86Å; D31-Y37 HydrophobicContact CB-CE1 3.78Å; Y37-L51 WeakPolarHBondContact O-CA 3.46Å; Y37-V52 PolarHBondContact N-O 2.84Å; Y37-V52 PolarHBondContact O-N 2.92Å; Y37-S72 PolarHBondContact OH-OG 3Å; Y37-F74 HydrophobicContact CD1-CD1 4.34Å; Y37-F74 HydrophobicContact CE1-CB 4.35Å; Y37-F74 AromaticContact CE1-CD1 3.75Å; Y37-F74 HydrophobicContact CE1-CD1 3.75Å; Y37-F74 HydrophobicContact CE1-CG 4.44Å; Y37-F74 HydrophobicContact CE2-CD1 4.46Å; Y37-F74 AromaticContact CZ-CD1 3.83Å; Y37-A75 HydrophobicContact CD1-CB 4.27Å; Y37-A75 HydrophobicContact CE1-CB 4.02Å; Y37-I122 HydrophobicContact CD2-CD1 3.55Å; Y37-I122 HydrophobicContact CE2-CD1 3.91Å; Y37-L135 HydrophobicContact CE2-CD1 4.32Å; Y37-L135 HydrophobicContact CE2-CD2 4.2Å; Y37-L135 VanDerWaalsContact OH-CD1 3.31Å; Y37-L135 WeakPolarHBondContact OH-CD1 3.42Å |
| 38 | L | 92.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.8 | 177.6 | -59.7 | 170.1 | 0 | 0 | 0 | 108.7 | V29 Y30 I32 I49 L50 L51 T61 W65 | V29-L38 CarbonylContact C-O 3.57Å; V29-L38 WeakPolarHBondContact CA-O 3.15Å; Y30-L38 PolarHBondContact N-O 3.5Å; Y30-L38 PolarHBondContact O-N 3.45Å; I32-L38 HydrophobicContact CD1-CD1 3.9Å; I32-L38 HydrophobicContact CD1-CD2 3.93Å; I32-L38 HydrophobicContact CD1-CG 3.81Å; I32-L38 HydrophobicContact CG1-CD1 3.92Å; I32-L38 HydrophobicContact CG1-CG 4.14Å; L38-I49 HydrophobicContact CB-CG2 3.93Å; L38-I49 HydrophobicContact CD2-CG2 3.84Å; L38-I49 HydrophobicContact CG-CG2 4.36Å; L38-L50 WeakPolarHBondContact CA-O 3.26Å; L38-L51 HydrophobicContact CD2-CB 3.87Å; L38-L51 HydrophobicContact CD2-CD1 4.01Å; L38-L51 HydrophobicContact CD2-CG 3.77Å; L38-T61 HydrophobicContact CD2-CG2 4.21Å; L38-W65 HydrophobicContact CD1-CB 3.94Å; L38-W65 HydrophobicContact CD2-CG 4.43Å |
| 39 | I | 92.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 106.6 | 174.5 | -56.7 | 175.3 | 0 | 0 | 0 | 107.1 | V26 V29 L41 L50 V52 F103 L112 | V26-I39 HydrophobicContact CG1-CG2 4.08Å; V26-I39 HydrophobicContact CG2-CG2 4.09Å; V29-I39 HydrophobicContact CG1-CG1 4.3Å; V29-I39 HydrophobicContact CG2-CG1 4.33Å; V29-I39 HydrophobicContact CG2-CG2 4.43Å; I39-L41 HydrophobicContact CG2-CD2 3.93Å; I39-L41 HydrophobicContact CG2-CG 4.41Å; I39-L41 PolarHBondContact O-N 3.22Å; I39-L50 HydrophobicContact CB-CB 4.33Å; I39-L50 PolarHBondContact N-O 3.02Å; I39-L50 PolarHBondContact O-N 2.98Å; I39-V52 HydrophobicContact CD1-CG2 4.32Å; I39-F103 HydrophobicContact CD1-CZ 4.27Å; I39-L112 HydrophobicContact CD1-CD2 3.57Å |
| 40 | R | 91.9 | Very high | 87.5 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 108.9 | 176.3 | 179.6 | 179 | -87.4 | -178.4 | -11.6 | 108.7 | N27 N28 Y30 | N27-R40 HydrophobicContact CB-CG 4.23Å; N27-R40 PolarHBondContact N-O 3.03Å; N28-R40 PolarHBondContact O-N 2.6Å; Y30-R40 HydrophobicContact CE2-CB 4.28Å |
| 41 | L | 91.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 145.5 | 173.6 | -60.8 | 179.2 | 0 | 0 | 0 | 110 | Y21 M24 R25 V26 I39 S48 L87 F103 | Y21-L41 HydrophobicContact CG-CD1 4.46Å; M24-L41 HydrophobicContact CB-CB 3.98Å; M24-L41 HydrophobicContact CE-CB 4.17Å; M24-L41 HydrophobicContact SD-CB 4.02Å; R25-L41 CarbonylContact O-C 3.55Å; R25-L41 WeakPolarHBondContact O-CA 3.38Å; V26-L41 HydrophobicContact CG2-CD2 3.85Å; I39-L41 HydrophobicContact CG2-CD2 3.93Å; I39-L41 HydrophobicContact CG2-CG 4.41Å; I39-L41 PolarHBondContact O-N 3.22Å; L41-S48 PolarHBondContact N-O 3.38Å; L41-S48 PolarHBondContact O-N 2.94Å; L41-L87 HydrophobicContact CD1-CD2 3.96Å; L41-F103 HydrophobicContact CD2-CE1 4.49Å |
| 42 | Q | 90.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134.5 | 179.4 | -175 | 170.2 | -8.3 | 0 | 0 | 112.1 | R25 N27 K47 | R25-Q42 PolarHBondContact N-O 3.25Å; R25-Q42 PolarHBondContact O-N 3.03Å; N27-Q42 HydrophobicContact CB-CB 4.24Å; N27-Q42 PolarHBondContact ND2-OE1 2.93Å; Q42-K47 HydrophobicContact CG-CG 4.1Å |
| 43 | K | 86.4 | Confident | 88 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | trans | -110.4 | 164.3 | 160.8 | -172 | 168.2 | 177.5 | -177.1 | 0 | 106.6 | M24 D45 T46 | M24-K43 HydrophobicContact CE-CB 4.09Å; M24-K43 HydrophobicContact CG-CB 4.34Å; K43-D45 PolarHBondContact O-N 3.42Å; K43-T46 PolarHBondContact N-O 2.95Å; K43-T46 PolarHBondContact O-N 2.98Å | ||
| 44 | P | 77.6 | Confident | 88.3 | Confident | 120 Ų | 120 | 49.7 Ų | 49.7 | 78% | 0.779 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -51.7 | -39.9 | 177.3 | -31.7 | 38.9 | 0 | 0 | 0 | 113.3 | ||
| 45 | D | 78.4 | Confident | 88.4 | Confident | 136 Ų | 136 | 45.3 Ų | 45.3 | 73% | 0.727 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -95.6 | -21.7 | -171.8 | -30.7 | -77.8 | 0 | 0 | 0 | 113.8 | K43 | K43-D45 PolarHBondContact O-N 3.42Š|
| 46 | T | 84.2 | Confident | 88.4 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | trans | -135.9 | 144.7 | -173.6 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | M24 K43 | M24-T46 WeakPolarHBondContact CE-O 3.3Å; K43-T46 PolarHBondContact N-O 2.95Å; K43-T46 PolarHBondContact O-N 2.98Å | ||
| 47 | K | 87.9 | Confident | 88.4 | Confident | 155 Ų | 155 | 43.1 Ų | 43.1 | 67% | 0.674 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.2 | 174.1 | -64.6 | 168.7 | -174.7 | 168.5 | 0 | 107.8 | Q42 | Q42-K47 HydrophobicContact CG-CG 4.1Å |
| 48 | S | 87.6 | Confident | 88.4 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.2 | -178.3 | -53.1 | 0 | 0 | 0 | 0 | 110 | L41 | L41-S48 PolarHBondContact N-O 3.38Å; L41-S48 PolarHBondContact O-N 2.94Å |
| 49 | I | 91.7 | Very high | 88.3 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 109.1 | -175 | -54.2 | -179.9 | 0 | 0 | 0 | 109.3 | L38 S60 T61 | L38-I49 HydrophobicContact CB-CG2 3.93Å; L38-I49 HydrophobicContact CD2-CG2 3.84Å; L38-I49 HydrophobicContact CG-CG2 4.36Å; I49-S60 CarbonylContact O-C 3.55Å; I49-S60 WeakPolarHBondContact O-CA 3.5Å; I49-S60 PolarHBondContact O-OG 2.89Å; I49-T61 HydrophobicContact CB-CG2 4.17Å; I49-T61 HydrophobicContact CG2-CG2 3.97Å; I49-T61 PolarHBondContact O-N 3.04Å |
| 50 | L | 91.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.2 | 175.7 | 178.4 | 65.1 | 0 | 0 | 0 | 109.7 | I17 L38 I39 V52 I58 I101 | I17-L50 HydrophobicContact CD1-CD1 3.52Å; I17-L50 HydrophobicContact CG1-CD1 4.28Å; L38-L50 WeakPolarHBondContact CA-O 3.26Å; I39-L50 HydrophobicContact CB-CB 4.33Å; I39-L50 PolarHBondContact N-O 3.02Å; I39-L50 PolarHBondContact O-N 2.98Å; L50-V52 HydrophobicContact CG-CG2 4.26Å; L50-I58 HydrophobicContact CD1-CD1 4.21Å; L50-I58 HydrophobicContact CD1-CG1 3.83Å; L50-I58 HydrophobicContact CD2-CD1 4.47Å; L50-I101 HydrophobicContact CD2-CD1 4.46Å |
| 51 | L | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.9 | 177.2 | -170.6 | 168 | 0 | 0 | 0 | 110.3 | T36 Y37 L38 E53 I58 H59 T61 W65 | T36-L51 HydrophobicContact CG2-CD2 3.6Å; T36-L51 HydrophobicContact CG2-CG 4.14Å; Y37-L51 WeakPolarHBondContact O-CA 3.46Å; L38-L51 HydrophobicContact CD2-CB 3.87Å; L38-L51 HydrophobicContact CD2-CD1 4.01Å; L38-L51 HydrophobicContact CD2-CG 3.77Å; L51-E53 HydrophobicContact CD2-CB 4.07Å; L51-I58 WeakPolarHBondContact O-CA 3.46Å; L51-H59 PolarHBondContact N-O 2.93Å; L51-H59 PolarHBondContact O-N 3.32Å; L51-H59 VanDerWaalsContact O-N 3.17Å; L51-T61 HydrophobicContact CB-CG2 3.88Å; L51-T61 HydrophobicContact CD1-CG2 4.2Å; L51-W65 HydrophobicContact CD1-CD2 3.95Å; L51-W65 VanDerWaalsContact CD1-CE2 3.47Å; L51-W65 HydrophobicContact CD1-CG 4.34Å; L51-W65 HydrophobicContact CD1-CH2 4.46Å; L51-W65 HydrophobicContact CD1-CZ2 3.77Å |
| 52 | V | 92.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.9 | 179.4 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | T36 Y37 I39 L50 I58 V114 I122 | T36-V52 WeakPolarHBondContact CA-O 3.46Å; Y37-V52 PolarHBondContact N-O 2.84Å; Y37-V52 PolarHBondContact O-N 2.92Å; I39-V52 HydrophobicContact CD1-CG2 4.32Å; L50-V52 HydrophobicContact CG-CG2 4.26Å; V52-I58 HydrophobicContact CG2-CD1 4.18Å; V52-I58 HydrophobicContact CG2-CG1 4.28Å; V52-V114 HydrophobicContact CG1-CB 4.37Å; V52-V114 HydrophobicContact CG1-CG1 3.67Å; V52-V114 HydrophobicContact CG1-CG2 3.7Å; V52-I122 HydrophobicContact CG1-CD1 3.92Å |
| 53 | E | 89.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108 | 179.9 | -169 | 167.6 | -178.3 | 0 | 0 | 111.7 | T36 L51 G55 L56 R57 | T36-E53 HydrophobicContact CG2-CB 4.16Å; T36-E53 HydrophobicContact CG2-CG 4.21Å; L51-E53 HydrophobicContact CD2-CB 4.07Å; E53-G55 PolarHBondContact O-N 3.1Å; E53-G55 VanDerWaalsContact O-N 3.08Å; E53-L56 HydrophobicContact CB-CB 4.49Å; E53-L56 HydrophobicContact CG-CB 4.15Å; E53-L56 HydrophobicContact CG-CD1 4.04Å; E53-L56 HydrophobicContact CG-CG 4.5Å; E53-L56 PolarHBondContact O-N 3Å; E53-L56 WeakPolarHBondContact OE1-CD1 3.09Å; E53-R57 HydrophobicContact CB-CG 3.79Å; E53-R57 PolarHBondContact N-O 3.3Å; E53-R57 PolarHBondContact O-N 3.01Å; E53-R57 IonicContact OE2-CZ 2.89Å; E53-R57 VanDerWaalsContact OE2-CZ 3.25Å; E53-R57 IonicContact OE2-NE 2.82Å; E53-R57 PolarHBondContact OE2-NE 2.98Å; E53-R57 IonicContact OE2-NH2 3.78Å; E53-R57 PolarHBondContact OE2-NH2 3.29Å |
| 54 | S | 87.4 | Confident | 86.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 109.7 | -174.2 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | K35 G120 N121 R136 | K35-S54 WeakPolarHBondContact O-CB 3.37Å; K35-S54 PolarHBondContact O-N 3.4Å; S54-G120 PolarHBondContact OG-O 3.18Å; S54-N121 PolarHBondContact OG-N 2.65Å; S54-R136 PolarHBondContact OG-NH2 2.95Å |
| 55 | G | 82.7 | Confident | 87 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 3.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | R4 E53 E115 | R4-G55 PolarHBondContact NH1-O 3.45Å; E53-G55 PolarHBondContact O-N 3.1Å; E53-G55 VanDerWaalsContact O-N 3.08Å; G55-E115 WeakPolarHBondContact CA-O 3.41Å; G55-E115 PolarHBondContact N-O 3.48Å |
| 56 | L | 86.5 | Confident | 86.8 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -57.8 | -171.3 | -59.7 | 177.3 | 0 | 0 | 0 | 114 | R4 F5 E53 | R4-L56 WeakPolarHBondContact CA-O 3.37Å; R4-L56 HydrophobicContact CG-CD2 3.86Å; F5-L56 PolarHBondContact N-O 3.14Å; E53-L56 HydrophobicContact CB-CB 4.49Å; E53-L56 HydrophobicContact CG-CB 4.15Å; E53-L56 HydrophobicContact CG-CD1 4.04Å; E53-L56 HydrophobicContact CG-CG 4.5Å; E53-L56 PolarHBondContact O-N 3Å; E53-L56 WeakPolarHBondContact OE1-CD1 3.09Å |
| 57 | R | 89.1 | Confident | 86.6 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 163 | -173.3 | 59.5 | 174.7 | 169.1 | 149.4 | 1.5 | 114.2 | F5 E53 H59 | F5-R57 HydrophobicContact CD1-CB 3.64Å; F5-R57 HydrophobicContact CE1-CB 3.36Å; F5-R57 HydrophobicContact CE2-CB 4.36Å; F5-R57 HydrophobicContact CG-CB 4.28Å; F5-R57 HydrophobicContact CZ-CB 3.76Å; E53-R57 HydrophobicContact CB-CG 3.79Å; E53-R57 PolarHBondContact N-O 3.3Å; E53-R57 PolarHBondContact O-N 3.01Å; E53-R57 IonicContact OE2-CZ 2.89Å; E53-R57 VanDerWaalsContact OE2-CZ 3.25Å; E53-R57 IonicContact OE2-NE 2.82Å; E53-R57 PolarHBondContact OE2-NE 2.98Å; E53-R57 IonicContact OE2-NH2 3.78Å; E53-R57 PolarHBondContact OE2-NH2 3.29Å; R57-H59 PolarHBondContact NH1-CE1 3.37Å; R57-H59 PolarHBondContact NH1-NE2 3.26Å |
| 58 | I | 91.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.7 | 163.6 | -176.5 | 167.3 | 0 | 0 | 0 | 107.2 | F5 V13 I17 L50 L51 V52 I101 L116 | F5-I58 WeakPolarHBondContact CE2-O 3.43Å; F5-I58 VanDerWaalsContact CZ-O 3.24Å; F5-I58 WeakPolarHBondContact CZ-O 3.32Å; V13-I58 HydrophobicContact CG1-CG2 4.22Å; I17-I58 HydrophobicContact CD1-CD1 4.31Å; I17-I58 HydrophobicContact CD1-CG1 4.21Å; L50-I58 HydrophobicContact CD1-CD1 4.21Å; L50-I58 HydrophobicContact CD1-CG1 3.83Å; L50-I58 HydrophobicContact CD2-CD1 4.47Å; L51-I58 WeakPolarHBondContact O-CA 3.46Å; V52-I58 HydrophobicContact CG2-CD1 4.18Å; V52-I58 HydrophobicContact CG2-CG1 4.28Å; I58-I101 HydrophobicContact CD1-CD1 3.74Å; I58-L116 HydrophobicContact CG2-CD1 4.12Å |
| 59 | H | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | 158 | 178.2 | 57.2 | -28.9 | 0 | 0 | 0 | 109.8 | L51 R57 D294 V297 D298 | L51-H59 PolarHBondContact N-O 2.93Å; L51-H59 PolarHBondContact O-N 3.32Å; L51-H59 VanDerWaalsContact O-N 3.17Å; R57-H59 PolarHBondContact NH1-CE1 3.37Å; R57-H59 PolarHBondContact NH1-NE2 3.26Å; H59-D294 VanDerWaalsContact CA-OD1 3.22Å; H59-D294 WeakPolarHBondContact CA-OD1 3.28Å; H59-D294 WeakPolarHBondContact CB-OD1 3.27Å; H59-V297 HydrophobicContact CB-CG1 4.22Å; H59-V297 WeakPolarHBondContact CD2-CG1 3.44Å; H59-D298 IonicContact NE2-OD1 3.68Å |
| 60 | S | 89.9 | Confident | 83.5 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 154.1 | 160 | -168 | 0 | 0 | 0 | 0 | 111.1 | Y21 I49 D294 | Y21-S60 VanDerWaalsContact OH-CB 3.24Å; Y21-S60 WeakPolarHBondContact OH-CB 3.46Å; Y21-S60 PolarHBondContact OH-OG 3.04Å; I49-S60 CarbonylContact O-C 3.55Å; I49-S60 WeakPolarHBondContact O-CA 3.5Å; I49-S60 PolarHBondContact O-OG 2.89Å; S60-D294 WeakPolarHBondContact CA-OD2 3.37Å; S60-D294 WeakPolarHBondContact CB-OD2 3.46Å; S60-D294 VanDerWaalsContact N-CG 3.3Å; S60-D294 PolarHBondContact N-OD1 3.5Å; S60-D294 PolarHBondContact N-OD2 3.33Å |
| 61 | T | 88.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | trans | -137.1 | 135.9 | 174.8 | -178 | 0 | 0 | 0 | 0 | 111.4 | L38 I49 L51 F63 W65 D298 | L38-T61 HydrophobicContact CD2-CG2 4.21Å; I49-T61 HydrophobicContact CB-CG2 4.17Å; I49-T61 HydrophobicContact CG2-CG2 3.97Å; I49-T61 PolarHBondContact O-N 3.04Å; L51-T61 HydrophobicContact CB-CG2 3.88Å; L51-T61 HydrophobicContact CD1-CG2 4.2Å; T61-F63 PolarHBondContact OG1-N 3.04Å; T61-W65 PolarHBondContact OG1-NE1 2.95Å; T61-D298 WeakPolarHBondContact CA-OD2 3.18Å; T61-D298 VanDerWaalsContact CB-OD2 3.31Å; T61-D298 WeakPolarHBondContact CB-OD2 3.38Å; T61-D298 PolarHBondContact OG1-OD1 2.67Å; T61-D298 PolarHBondContact OG1-OD2 3.45Å | ||
| 62 | D | 85.1 | Confident | 82.4 | Confident | 135 Ų | 135 | 50.1 Ų | 50.1 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | trans | -98.4 | -14.7 | 174.8 | -70.9 | -32.1 | 0 | 0 | 0 | 111.7 | D298 | D62-D298 PolarHBondContact N-OD2 2.86Š| ||
| 63 | F | 81.9 | Confident | 82 | Confident | 90 Ų | 90 | 53 Ų | 53 | 40% | 0.395 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -75.3 | 145.6 | 178.7 | -68.8 | -65.5 | 0 | 0 | 0 | 113.2 | T61 W65 D298 | T61-F63 PolarHBondContact OG1-N 3.04Å; F63-W65 PolarHBondContact O-N 3.28Å; F63-W65 VanDerWaalsContact O-N 3.09Å; F63-D298 HydrophobicContact CD2-CB 4.4Å; F63-D298 VanDerWaalsContact CD2-CG 3.46Å; F63-D298 VanDerWaalsContact CD2-OD2 3.24Å; F63-D298 WeakPolarHBondContact CD2-OD2 3.26Å; F63-D298 HydrophobicContact CE2-CB 4.42Å |
| 64 | E | 76.7 | Confident | 81.9 | Confident | 195 Ų | 195 | 52.1 Ų | 52.1 | 91% | 0.911 | 28% | 0.28 | S | S | * | . | trans | -77 | 95.8 | 172.7 | -67.6 | -150 | 125.3 | 0 | 0 | 112.2 | ||||
| 65 | W | 80.8 | Confident | 81.9 | Confident | 67 Ų | 67 | 52 Ų | 52 | 25% | 0.254 | 28% | 0.279 | S | S | . | . | trans | -75.4 | 142.1 | 174.2 | -69.8 | 84.8 | 0 | 0 | 0 | 112.5 | I32 L38 L51 T61 F63 K67 | I32-W65 HydrophobicContact CD1-CB 3.68Å; I32-W65 HydrophobicContact CD1-CD2 3.99Å; I32-W65 HydrophobicContact CD1-CE3 3.87Å; I32-W65 HydrophobicContact CD1-CG 3.92Å; I32-W65 HydrophobicContact CG1-CB 4.22Å; L38-W65 HydrophobicContact CD1-CB 3.94Å; L38-W65 HydrophobicContact CD2-CG 4.43Å; L51-W65 HydrophobicContact CD1-CD2 3.95Å; L51-W65 VanDerWaalsContact CD1-CE2 3.47Å; L51-W65 HydrophobicContact CD1-CG 4.34Å; L51-W65 HydrophobicContact CD1-CH2 4.46Å; L51-W65 HydrophobicContact CD1-CZ2 3.77Å; T61-W65 PolarHBondContact OG1-NE1 2.95Å; F63-W65 PolarHBondContact O-N 3.28Å; F63-W65 VanDerWaalsContact O-N 3.09Å; W65-K67 PolarHBondContact O-N 2.79Å | ||
| 66 | P | 75.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | trans | -69.2 | 97.3 | 178.3 | 28.4 | -34.5 | 0 | 0 | 0 | 111.1 | I32 N68 | I32-P66 HydrophobicContact CG2-CG 4.46Å; P66-N68 PolarHBondContact O-N 3.01Å | ||
| 67 | K | 80.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 58 Ų | 58 | 30% | 0.3 | 31% | 0.305 | S | S | . | . | trans | -56.3 | 131.2 | 176.8 | -52.8 | 167 | -168.7 | 163.5 | 0 | 110.3 | Y30 W65 M69 D965 | Y30-K67 HydrophobicContact CD1-CB 4.34Å; Y30-K67 HydrophobicContact CD1-CD 3.94Å; Y30-K67 HydrophobicContact CD1-CG 4.2Å; Y30-K67 HydrophobicContact CE1-CD 3.89Å; Y30-K67 HydrophobicContact CG-CG 4.47Å; W65-K67 PolarHBondContact O-N 2.79Å; K67-M69 PolarHBondContact O-N 2.9Å; K67-M69 VanDerWaalsContact O-N 3.14Å; K67-D965 IonicContact NZ-OD1 3.59Å; K67-D965 PolarHBondContact NZ-OD1 3.05Å; K67-D965 IonicContact NZ-OD2 3.81Å; K67-D965 PolarHBondContact NZ-OD2 3.39Å | ||
| 68 | N | 72.5 | Confident | 82.4 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | trans | -67 | 114.3 | 164.7 | 172.7 | 17.5 | 0 | 0 | 0 | 108.6 | D31 P66 M70 | D31-N68 VanDerWaalsContact O-CB 3.28Å; D31-N68 WeakPolarHBondContact O-CB 3.45Å; D31-N68 PolarHBondContact O-N 3.05Å; D31-N68 PolarHBondContact OD2-ND2 3.1Å; P66-N68 PolarHBondContact O-N 3.01Å; N68-M70 VanDerWaalsContact CG-O 3.3Å; N68-M70 PolarHBondContact ND2-O 2.78Å; N68-M70 PolarHBondContact O-N 3.35Å; N68-M70 PolarHBondContact OD1-N 3.26Å; N68-M70 VanDerWaalsContact OD1-N 3.12Å; N68-M70 PolarHBondContact OD1-O 3.49Å | ||
| 69 | M | 61.9 | Low | 82.4 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 42% | 0.419 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -61.1 | -15.1 | -177 | -63.4 | -66.8 | -64.2 | 0 | 0 | 113.9 | K67 R553 D965 N966 | K67-M69 PolarHBondContact O-N 2.9Å; K67-M69 VanDerWaalsContact O-N 3.14Å; M69-R553 VanDerWaalsContact CB-CZ 3.44Å; M69-R553 VanDerWaalsContact CB-NH1 3.35Å; M69-R553 VanDerWaalsContact CB-NH2 3.31Å; M69-R553 PolarHBondContact O-NH2 3.45Å; M69-D965 VanDerWaalsContact CE-O 3.24Å; M69-D965 WeakPolarHBondContact CE-O 3.47Å; M69-N966 HydrophobicContact CE-CB 3.79Å; M69-N966 WeakPolarHBondContact CE-OD1 3.45Å |
| 70 | M | 66.6 | Low | 82.3 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -124.2 | 106.5 | 175.1 | 176.7 | -178.1 | 83.4 | 0 | 0 | 109.3 | N68 S72 | N68-M70 VanDerWaalsContact CG-O 3.3Å; N68-M70 PolarHBondContact ND2-O 2.78Å; N68-M70 PolarHBondContact O-N 3.35Å; N68-M70 PolarHBondContact OD1-N 3.26Å; N68-M70 VanDerWaalsContact OD1-N 3.12Å; N68-M70 PolarHBondContact OD1-O 3.49Å; M70-S72 PolarHBondContact O-N 2.88Å |
| 71 | P | 77.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | trans | -58.6 | 132.1 | -175.7 | 24.8 | -35.8 | 0 | 0 | 0 | 112.1 | D31 A75 M76 | D31-P71 VanDerWaalsContact OD1-CA 3.32Å; D31-P71 WeakPolarHBondContact OD1-CA 3.48Å; P71-A75 HydrophobicContact CB-CB 3.91Å; P71-M76 HydrophobicContact CB-CG 3.93Å; P71-M76 HydrophobicContact CB-SD 4.01Å; P71-M76 HydrophobicContact CG-CG 3.7Å; P71-M76 HydrophobicContact CG-SD 3.36Å; P71-M76 WeakPolarHBondContact CG-SD 3.47Å | ||
| 72 | S | 83.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | trans | -54.9 | 157 | 171.4 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | D31 Y37 M70 F74 A75 M76 | D31-S72 VanDerWaalsContact OD2-CB 3.32Å; D31-S72 WeakPolarHBondContact OD2-CB 3.41Å; D31-S72 PolarHBondContact OD2-N 2.95Å; Y37-S72 PolarHBondContact OH-OG 3Å; M70-S72 PolarHBondContact O-N 2.88Å; S72-F74 PolarHBondContact O-N 3.05Å; S72-F74 VanDerWaalsContact O-N 3.09Å; S72-A75 PolarHBondContact O-N 3.46Å; S72-A75 PolarHBondContact OG-N 2.87Å; S72-A75 VanDerWaalsContact OG-N 3.17Å; S72-M76 PolarHBondContact O-N 3.17Å | ||
| 73 | G | 83.5 | Confident | 82.6 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.2 | -25 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K77 | G73-K77 PolarHBondContact O-N 3.43Å |
| 74 | F | 87.6 | Confident | 82.9 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.2 | -53.6 | 169.8 | -170.5 | -82.4 | 0 | 0 | 0 | 110.9 | Y37 S72 M76 K77 C78 L112 I122 N133 L135 | Y37-F74 HydrophobicContact CD1-CD1 4.34Å; Y37-F74 HydrophobicContact CE1-CB 4.35Å; Y37-F74 AromaticContact CE1-CD1 3.75Å; Y37-F74 HydrophobicContact CE1-CD1 3.75Å; Y37-F74 HydrophobicContact CE1-CG 4.44Å; Y37-F74 HydrophobicContact CE2-CD1 4.46Å; Y37-F74 AromaticContact CZ-CD1 3.83Å; S72-F74 PolarHBondContact O-N 3.05Å; S72-F74 VanDerWaalsContact O-N 3.09Å; F74-M76 VanDerWaalsContact C-N 3.28Å; F74-M76 PolarHBondContact O-N 3.19Å; F74-K77 PolarHBondContact O-N 3.29Å; F74-K77 VanDerWaalsContact O-N 3.09Å; F74-C78 WeakPolarHBondContact CE1-SG 3.46Å; F74-C78 PolarHBondContact O-N 3.33Å; F74-L112 HydrophobicContact CE1-CD1 4.45Å; F74-L112 HydrophobicContact CZ-CD1 4.25Å; F74-I122 HydrophobicContact CE1-CB 4.28Å; F74-I122 HydrophobicContact CE1-CG2 3.89Å; F74-I122 WeakPolarHBondContact CE2-O 3.46Å; F74-I122 HydrophobicContact CZ-CB 3.9Å; F74-I122 HydrophobicContact CZ-CG2 3.61Å; F74-N133 WeakPolarHBondContact CD2-ND2 3.47Å; F74-N133 HydrophobicContact CE2-CB 4.48Å; F74-L135 HydrophobicContact CD2-CB 4.24Å; F74-L135 HydrophobicContact CD2-CD1 4.48Å; F74-L135 HydrophobicContact CE2-CB 4.34Å; F74-L135 HydrophobicContact CG-CD1 4.46Å |
| 75 | A | 88.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.7 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D31 Y37 P71 S72 C78 R79 | D31-A75 HydrophobicContact CB-CB 4.45Å; Y37-A75 HydrophobicContact CD1-CB 4.27Å; Y37-A75 HydrophobicContact CE1-CB 4.02Å; P71-A75 HydrophobicContact CB-CB 3.91Å; S72-A75 PolarHBondContact O-N 3.46Å; S72-A75 PolarHBondContact OG-N 2.87Å; S72-A75 VanDerWaalsContact OG-N 3.17Å; A75-C78 PolarHBondContact O-N 3.47Å; A75-R79 WeakPolarHBondContact O-CG 3.44Å; A75-R79 PolarHBondContact O-N 2.84Å |
| 76 | M | 88.4 | Confident | 84.1 | Confident | 99 Ų | 99 | 65.8 Ų | 65.8 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 176 | -77.7 | -60.5 | -72.7 | 0 | 0 | 113.5 | P71 S72 F74 R79 K80 | P71-M76 HydrophobicContact CB-CG 3.93Å; P71-M76 HydrophobicContact CB-SD 4.01Å; P71-M76 HydrophobicContact CG-CG 3.7Å; P71-M76 HydrophobicContact CG-SD 3.36Å; P71-M76 WeakPolarHBondContact CG-SD 3.47Å; S72-M76 PolarHBondContact O-N 3.17Å; F74-M76 VanDerWaalsContact C-N 3.28Å; F74-M76 PolarHBondContact O-N 3.19Å; M76-R79 PolarHBondContact O-N 3.11Å; M76-K80 PolarHBondContact O-N 2.95Å |
| 77 | K | 89 | Confident | 84.9 | Confident | 74 Ų | 74 | 61 Ų | 61 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 171.6 | -80.1 | -174.1 | 174.3 | -174.6 | 0 | 111.5 | G73 F74 R79 K80 H81 L124 L132 N133 | G73-K77 PolarHBondContact O-N 3.43Å; F74-K77 PolarHBondContact O-N 3.29Å; F74-K77 VanDerWaalsContact O-N 3.09Å; K77-R79 VanDerWaalsContact C-N 3.32Å; K77-R79 PolarHBondContact O-N 2.86Å; K77-K80 PolarHBondContact O-N 2.85Å; K77-K80 VanDerWaalsContact O-N 3.15Å; K77-H81 PolarHBondContact O-CD2 3.49Å; K77-H81 VanDerWaalsContact O-CD2 3.29Å; K77-H81 PolarHBondContact O-N 3Å; K77-L124 HydrophobicContact CB-CD2 4.37Å; K77-L132 PolarHBondContact NZ-O 2.86Å; K77-N133 HydrophobicContact CD-CB 3.58Å; K77-N133 WeakPolarHBondContact CD-OD1 3.2Å; K77-N133 WeakPolarHBondContact CE-OD1 3.49Å; K77-N133 PolarHBondContact NZ-OD1 3.25Å |
| 78 | C | 90.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | V29 F74 A75 H81 L82 | V29-C78 HydrophobicContact CB-CB 4.38Å; V29-C78 HydrophobicContact CG1-CB 4.11Å; V29-C78 HydrophobicContact CG2-CB 4.31Å; F74-C78 WeakPolarHBondContact CE1-SG 3.46Å; F74-C78 PolarHBondContact O-N 3.33Å; A75-C78 PolarHBondContact O-N 3.47Å; C78-H81 PolarHBondContact O-N 3.43Å; C78-L82 HydrophobicContact CB-CD1 4.18Å; C78-L82 WeakPolarHBondContact O-CA 3.48Å; C78-L82 WeakPolarHBondContact O-CB 3.36Å; C78-L82 WeakPolarHBondContact O-CG 3.48Å; C78-L82 PolarHBondContact O-N 3.22Å |
| 79 | R | 91.1 | Very high | 86.2 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.1 | -50.5 | 170.9 | -72 | 175.6 | -172.8 | -153.4 | -8.4 | 111.5 | N28 V29 A75 M76 K77 H81 K83 | N28-R79 WeakPolarHBondContact OD1-CD 3.15Å; N28-R79 VanDerWaalsContact OD1-CZ 3.28Å; N28-R79 PolarHBondContact OD1-NE 2.67Å; N28-R79 VanDerWaalsContact OD1-NE 3.08Å; V29-R79 HydrophobicContact CB-CG 4.25Å; V29-R79 VanDerWaalsContact O-CZ 3.25Å; V29-R79 PolarHBondContact O-NE 2.95Å; V29-R79 PolarHBondContact O-NH2 2.76Å; A75-R79 WeakPolarHBondContact O-CG 3.44Å; A75-R79 PolarHBondContact O-N 2.84Å; M76-R79 PolarHBondContact O-N 3.11Å; K77-R79 VanDerWaalsContact C-N 3.32Å; K77-R79 PolarHBondContact O-N 2.86Å; R79-H81 VanDerWaalsContact C-N 3.33Å; R79-H81 PolarHBondContact O-N 3.08Å; R79-K83 WeakPolarHBondContact O-CB 3.43Å; R79-K83 PolarHBondContact O-N 2.96Å; R79-K83 VanDerWaalsContact O-N 3.1Å |
| 80 | K | 90.4 | Very high | 87.6 | Confident | 171 Ų | 171 | 58.2 Ų | 58.2 | 74% | 0.743 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.8 | -40.8 | -178.4 | -177 | 177.5 | 179.1 | -179 | 0 | 113.1 | M76 K77 | M76-K80 PolarHBondContact O-N 2.95Å; K77-K80 PolarHBondContact O-N 2.85Å; K77-K80 VanDerWaalsContact O-N 3.15Å |
| 81 | H | 88.8 | Confident | 88.8 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 17% | 0.167 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -92.7 | -35.9 | -174.7 | -71.1 | -81.8 | 0 | 0 | 0 | 113.2 | K77 C78 R79 R85 Y110 L124 | K77-H81 PolarHBondContact O-CD2 3.49Å; K77-H81 VanDerWaalsContact O-CD2 3.29Å; K77-H81 PolarHBondContact O-N 3Å; C78-H81 PolarHBondContact O-N 3.43Å; R79-H81 VanDerWaalsContact C-N 3.33Å; R79-H81 PolarHBondContact O-N 3.08Å; H81-R85 WeakPolarHBondContact O-CD 3.36Å; H81-R85 PolarHBondContact O-NE 3.45Å; H81-Y110 HydrophobicContact CB-CD2 3.82Å; H81-Y110 HydrophobicContact CB-CE2 3.7Å; H81-Y110 HydrophobicContact CB-CG 4.36Å; H81-Y110 AromaticContact ND1-CE1 3.84Å; H81-Y110 AromaticContact ND1-CE2 3.6Å; H81-Y110 AromaticContact ND1-CZ 3.27Å; H81-Y110 VanDerWaalsContact ND1-CZ 3.27Å; H81-Y110 PolarHBondContact ND1-OH 3.22Å; H81-Y110 VanDerWaalsContact ND1-OH 3.13Å; H81-Y110 VanDerWaalsContact O-CD2 3.23Å; H81-Y110 WeakPolarHBondContact O-CD2 3.12Å; H81-Y110 WeakPolarHBondContact O-CE2 3.5Å; H81-L124 HydrophobicContact CB-CD2 4.16Å |
| 82 | L | 90.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -100 | -23 | -171.5 | -49.7 | -179.8 | 0 | 0 | 0 | 114.9 | V26 C78 S84 R85 F103 Y110 L112 L124 | V26-L82 WeakPolarHBondContact CB-O 3.18Å; V26-L82 HydrophobicContact CG1-CB 4.49Å; C78-L82 HydrophobicContact CB-CD1 4.18Å; C78-L82 WeakPolarHBondContact O-CA 3.48Å; C78-L82 WeakPolarHBondContact O-CB 3.36Å; C78-L82 WeakPolarHBondContact O-CG 3.48Å; C78-L82 PolarHBondContact O-N 3.22Å; L82-S84 PolarHBondContact O-N 2.8Å; L82-R85 WeakPolarHBondContact O-CB 3.46Å; L82-R85 PolarHBondContact O-N 3.49Å; L82-R85 VanDerWaalsContact O-N 3.14Å; L82-F103 HydrophobicContact CD1-CD2 4.05Å; L82-F103 HydrophobicContact CD1-CE2 3.98Å; L82-F103 HydrophobicContact CD2-CB 3.96Å; L82-F103 HydrophobicContact CD2-CD2 3.74Å; L82-F103 HydrophobicContact CD2-CG 4.04Å; L82-F103 HydrophobicContact CG-CD2 4.43Å; L82-Y110 HydrophobicContact CD2-CD2 4.38Å; L82-Y110 HydrophobicContact CD2-CG 4.41Å; L82-L112 HydrophobicContact CD1-CD2 4.36Å; L82-L124 HydrophobicContact CD1-CD1 4.34Å; L82-L124 HydrophobicContact CD2-CD1 3.91Å; L82-L124 HydrophobicContact CG-CD1 4.24Å |
| 83 | K | 90.1 | Very high | 89.4 | Confident | 109 Ų | 109 | 56 Ų | 56 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 139 | 179.9 | -176.9 | 174.8 | -175.2 | -170.5 | 0 | 110 | R79 R85 D961 | R79-K83 WeakPolarHBondContact O-CB 3.43Å; R79-K83 PolarHBondContact O-N 2.96Å; R79-K83 VanDerWaalsContact O-N 3.1Å; K83-R85 PolarHBondContact O-N 3.49Å; K83-R85 VanDerWaalsContact O-N 3.14Å; K83-D961 IonicContact NZ-OD2 2.76Å |
| 84 | S | 88.2 | Confident | 89.2 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 56% | 0.559 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | -12.3 | -175.7 | 85.4 | 0 | 0 | 0 | 0 | 117.9 | R25 V26 L82 | R25-S84 WeakPolarHBondContact CG-O 3.41Å; R25-S84 PolarHBondContact NE-O 3.27Å; V26-S84 PolarHBondContact O-N 3.19Å; L82-S84 PolarHBondContact O-N 2.8Å |
| 85 | R | 90.6 | Very high | 88.6 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 150.5 | 176.3 | -59.3 | -165.3 | -169.6 | -107.5 | -17.2 | 111.6 | R25 V26 H81 L82 K83 F103 A108 Y110 | R25-R85 CarbonylContact C-O 3.52Å; R25-R85 VanDerWaalsContact CA-O 3.31Å; R25-R85 WeakPolarHBondContact CA-O 3.36Å; V26-R85 PolarHBondContact N-O 2.87Å; H81-R85 WeakPolarHBondContact O-CD 3.36Å; H81-R85 PolarHBondContact O-NE 3.45Å; L82-R85 WeakPolarHBondContact O-CB 3.46Å; L82-R85 PolarHBondContact O-N 3.49Å; L82-R85 VanDerWaalsContact O-N 3.14Å; K83-R85 PolarHBondContact O-N 3.49Å; K83-R85 VanDerWaalsContact O-N 3.14Å; R85-F103 HydrophobicContact CB-CB 4.21Å; R85-A108 PolarHBondContact NH1-O 3.46Å; R85-Y110 VanDerWaalsContact CZ-CE2 3.44Å |
| 86 | R | 91.6 | Very high | 88.3 | Confident | 138 Ų | 138 | 57 Ų | 57 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -84.3 | 140.8 | 174.7 | -65.8 | -175.9 | -178.2 | -155.8 | 1.3 | 110.4 | M24 R25 T88 F103 G104 | M24-R86 CarbonylContact O-C 3.58Å; M24-R86 VanDerWaalsContact O-CA 3.31Å; M24-R86 WeakPolarHBondContact O-CA 3.05Å; R25-R86 HydrophobicContact CG-CG 3.75Å; R86-T88 PolarHBondContact O-N 3.26Å; R86-F103 CarbonylContact O-C 3.52Å; R86-F103 WeakPolarHBondContact O-CA 3.43Å; R86-G104 PolarHBondContact O-N 2.9Å |
| 87 | L | 92.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.1 | 163.3 | 178.8 | 59.4 | 0 | 0 | 0 | 108.5 | I17 L22 G23 M24 L41 V90 I101 F103 | I17-L87 HydrophobicContact CG2-CD2 4.43Å; L22-L87 HydrophobicContact CD2-CG 4.37Å; G23-L87 WeakPolarHBondContact CA-O 3.47Å; G23-L87 PolarHBondContact N-O 2.83Å; M24-L87 PolarHBondContact O-N 2.93Å; L41-L87 HydrophobicContact CD1-CD2 3.96Å; L87-V90 HydrophobicContact CD1-CG2 3.87Å; L87-V90 HydrophobicContact CD2-CG2 4.39Å; L87-I101 HydrophobicContact CD1-CG2 3.51Å; L87-F103 HydrophobicContact CB-CD1 4.32Å; L87-F103 HydrophobicContact CB-CE1 4.19Å; L87-F103 HydrophobicContact CD1-CD1 4.28Å; L87-F103 HydrophobicContact CD1-CE1 3.92Å; L87-F103 HydrophobicContact CD1-CZ 4.28Å |
| 88 | T | 91.1 | Very high | 88.3 | Confident | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -34.7 | -172.5 | 39.7 | 0 | 0 | 0 | 0 | 113.6 | L22 R86 Q102 G104 | L22-T88 WeakPolarHBondContact CD2-O 3.2Å; R86-T88 PolarHBondContact O-N 3.26Å; T88-Q102 PolarHBondContact N-O 3.08Å; T88-Q102 PolarHBondContact OG1-O 3.41Å; T88-Q102 VanDerWaalsContact OG1-O 3.08Å; T88-G104 VanDerWaalsContact CG2-O 3.32Å; T88-G104 WeakPolarHBondContact CG2-O 3.34Å; T88-G104 PolarHBondContact OG1-O 2.86Å |
| 89 | Q | 89.8 | Confident | 88.3 | Confident | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 146.8 | 172.8 | -167.4 | 176.2 | 38 | 0 | 0 | 110.8 | Q102 | Q89-Q102 HydrophobicContact CB-CB 4.34Å; Q89-Q102 PolarHBondContact O-N 2.96Å |
| 90 | V | 91.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.5 | 159.5 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | I14 I17 N18 L87 V99 D100 I101 | I14-V90 HydrophobicContact CG1-CG1 3.99Å; I14-V90 HydrophobicContact CG2-CB 4.43Å; I14-V90 HydrophobicContact CG2-CG1 4.13Å; I17-V90 HydrophobicContact CG2-CB 4.34Å; I17-V90 HydrophobicContact CG2-CG2 3.7Å; N18-V90 PolarHBondContact ND2-O 3.1Å; N18-V90 PolarHBondContact OD1-N 3.49Å; N18-V90 VanDerWaalsContact OD1-N 3.08Å; N18-V90 PolarHBondContact OD1-O 3.11Å; L87-V90 HydrophobicContact CD1-CG2 3.87Å; L87-V90 HydrophobicContact CD2-CG2 4.39Å; V90-V99 HydrophobicContact CG1-CG1 3.56Å; V90-D100 WeakPolarHBondContact CA-O 3.41Å; V90-I101 HydrophobicContact CG1-CG1 4.17Å; V90-I101 HydrophobicContact CG2-CG1 4.46Å; V90-I101 HydrophobicContact CG2-CG2 4.08Å |
| 91 | K | 89.8 | Confident | 88.6 | Confident | 66 Ų | 66 | 42.1 Ų | 42.1 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.3 | -179.6 | 65.2 | -173.7 | 177.2 | -173.6 | 0 | 112.2 | L93 D100 Y129 | K91-L93 HydrophobicContact CG-CD2 4.44Å; K91-D100 WeakPolarHBondContact CE-OD2 3.44Å; K91-D100 HydrophobicContact CG-CB 3.97Å; K91-D100 PolarHBondContact N-O 3.46Å; K91-D100 IonicContact NZ-OD2 2.67Å; K91-D100 PolarHBondContact NZ-OD2 3.09Å; K91-D100 PolarHBondContact O-N 3.32Å; K91-Y129 WeakPolarHBondContact CE-OH 3.43Å; K91-Y129 PolarHBondContact NZ-OH 3.25Å |
| 92 | Q | 88.8 | Confident | 88.8 | Confident | 32 Ų | 32 | 42.4 Ų | 42.4 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.9 | 165.5 | -170.2 | -179.5 | 8.1 | 0 | 0 | 108.5 | I14 V95 D96 | I14-Q92 HydrophobicContact CD1-CB 4.04Å; Q92-V95 VanDerWaalsContact NE2-C 3.33Å; Q92-V95 PolarHBondContact NE2-O 3.36Å; Q92-V95 VanDerWaalsContact NE2-O 3.16Å; Q92-D96 WeakPolarHBondContact CG-O 3.33Å; Q92-D96 PolarHBondContact NE2-O 2.85Å |
| 93 | L | 85.2 | Confident | 88.9 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | trans | -88 | 113.6 | 170.5 | -62.8 | -174.8 | 0 | 0 | 0 | 109.5 | K91 D96 I98 D100 I113 Y154 V156 A159 | K91-L93 HydrophobicContact CG-CD2 4.44Å; L93-D96 PolarHBondContact O-N 3.08Å; L93-I98 HydrophobicContact CB-CB 4.23Å; L93-I98 HydrophobicContact CB-CG2 4.24Å; L93-I98 HydrophobicContact CD1-CG2 3.91Å; L93-I98 HydrophobicContact CG-CG2 4.3Å; L93-I98 PolarHBondContact N-O 3.05Å; L93-D100 HydrophobicContact CD1-CB 4.13Å; L93-D100 HydrophobicContact CD2-CB 3.79Å; L93-D100 HydrophobicContact CG-CB 3.85Å; L93-I113 HydrophobicContact CD1-CG2 4.24Å; L93-Y154 HydrophobicContact CD1-CE1 4.36Å; L93-V156 HydrophobicContact CD1-CG1 4.4Å; L93-V156 HydrophobicContact CD2-CG1 4.29Å; L93-A159 HydrophobicContact CB-CB 4.14Å | ||
| 94 | G | 79.3 | Confident | 88.9 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -143.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R160 | G94-R160 CarbonylContact C-O 3.5Å; G94-R160 WeakPolarHBondContact CA-O 3.46Å |
| 95 | V | 76.8 | Confident | 88.8 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.6 | 167.6 | -126.4 | 0 | 0 | 0 | 0 | 113.1 | T7 Q92 R160 P162 P193 | T7-V95 HydrophobicContact CG2-CG1 4.45Å; T7-V95 WeakPolarHBondContact CG2-O 3.46Å; Q92-V95 VanDerWaalsContact NE2-C 3.33Å; Q92-V95 PolarHBondContact NE2-O 3.36Å; Q92-V95 VanDerWaalsContact NE2-O 3.16Å; V95-R160 PolarHBondContact N-O 2.82Å; V95-P162 HydrophobicContact CG2-CB 4.25Å; V95-P193 HydrophobicContact CB-CB 3.81Å; V95-P193 HydrophobicContact CB-CG 4.42Å; V95-P193 HydrophobicContact CG1-CB 3.48Å; V95-P193 VanDerWaalsContact CG1-CB 3.48Å; V95-P193 HydrophobicContact CG1-CG 3.86Å; V95-P193 HydrophobicContact CG2-CB 4.48Å |
| 96 | D | 80.7 | Confident | 88.4 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -76 | 164.7 | 179.9 | -81.3 | -53.7 | 0 | 0 | 0 | 112.9 | Q92 L93 I98 R160 | Q92-D96 WeakPolarHBondContact CG-O 3.33Å; Q92-D96 PolarHBondContact NE2-O 2.85Å; L93-D96 PolarHBondContact O-N 3.08Å; D96-I98 HydrophobicContact CB-CD1 4.22Å; D96-I98 HydrophobicContact CB-CG1 4.21Å; D96-I98 PolarHBondContact O-N 2.91Å; D96-R160 WeakPolarHBondContact OD2-CB 3.39Å; D96-R160 VanDerWaalsContact OD2-CG 3.28Å; D96-R160 WeakPolarHBondContact OD2-CG 3.45Å; D96-R160 PolarHBondContact OD2-N 2.75Å |
| 97 | R | 87.8 | Confident | 87.8 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -83.8 | 58.3 | -179.1 | -62.3 | -179.3 | -71.3 | 175.4 | -5.7 | 110.9 | I10 L116 | I10-R97 HydrophobicContact CD1-CB 3.65Å; I10-R97 HydrophobicContact CD1-CG 3.66Å; R97-L116 HydrophobicContact CB-CB 4.26Å; R97-L116 WeakPolarHBondContact O-CB 3.44Å; R97-L116 PolarHBondContact O-N 3.31Å |
| 98 | I | 89.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.7 | -178.9 | -53.8 | 175.4 | 0 | 0 | 0 | 107.6 | L93 D96 I113 V114 Y117 | L93-I98 HydrophobicContact CB-CB 4.23Å; L93-I98 HydrophobicContact CB-CG2 4.24Å; L93-I98 HydrophobicContact CD1-CG2 3.91Å; L93-I98 HydrophobicContact CG-CG2 4.3Å; L93-I98 PolarHBondContact N-O 3.05Å; D96-I98 HydrophobicContact CB-CD1 4.22Å; D96-I98 HydrophobicContact CB-CG1 4.21Å; D96-I98 PolarHBondContact O-N 2.91Å; I98-I113 HydrophobicContact CG2-CG2 3.51Å; I98-V114 WeakPolarHBondContact CA-O 3.3Å; I98-Y117 HydrophobicContact CD1-CE1 3.9Å; I98-Y117 HydrophobicContact CG1-CD1 4.2Å; I98-Y117 HydrophobicContact CG1-CE1 3.77Å |
| 99 | V | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.1 | -179.3 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | I10 I14 V90 I101 I113 V114 L116 | I10-V99 HydrophobicContact CG2-CG2 3.82Å; I14-V99 HydrophobicContact CD1-CB 4.47Å; I14-V99 HydrophobicContact CD1-CG1 3.82Å; I14-V99 HydrophobicContact CD1-CG2 4.04Å; I14-V99 HydrophobicContact CG1-CG1 4.09Å; V90-V99 HydrophobicContact CG1-CG1 3.56Å; V99-I101 HydrophobicContact CG1-CG1 4.09Å; V99-I113 CarbonylContact O-C 3.25Å; V99-I113 WeakPolarHBondContact O-CA 3.32Å; V99-V114 HydrophobicContact CB-CB 4.39Å; V99-V114 PolarHBondContact N-O 2.88Å; V99-V114 PolarHBondContact O-N 3.24Å; V99-L116 HydrophobicContact CG2-CD1 3.97Å |
| 100 | D | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.4 | 173.4 | 179.2 | 16.2 | 0 | 0 | 0 | 109.3 | V90 K91 L93 H111 Y129 | V90-D100 WeakPolarHBondContact CA-O 3.41Å; K91-D100 WeakPolarHBondContact CE-OD2 3.44Å; K91-D100 HydrophobicContact CG-CB 3.97Å; K91-D100 PolarHBondContact N-O 3.46Å; K91-D100 IonicContact NZ-OD2 2.67Å; K91-D100 PolarHBondContact NZ-OD2 3.09Å; K91-D100 PolarHBondContact O-N 3.32Å; L93-D100 HydrophobicContact CD1-CB 4.13Å; L93-D100 HydrophobicContact CD2-CB 3.79Å; L93-D100 HydrophobicContact CG-CB 3.85Å; D100-H111 VanDerWaalsContact CG-ND1 3.31Å; D100-H111 WeakPolarHBondContact OD1-CB 3.22Å; D100-H111 IonicContact OD1-CE1 3.48Å; D100-H111 IonicContact OD1-CG 3.39Å; D100-H111 IonicContact OD1-ND1 2.78Å; D100-H111 PolarHBondContact OD1-ND1 3.25Å; D100-H111 IonicContact OD2-CE1 2.65Å; D100-H111 IonicContact OD2-ND1 2.99Å; D100-H111 PolarHBondContact OD2-ND1 2.99Å; D100-Y129 WeakPolarHBondContact OD2-CE1 3.23Å; D100-Y129 PolarHBondContact OD2-OH 2.93Å |
| 101 | I | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 108.2 | -177.2 | -52.4 | 171.1 | 0 | 0 | 0 | 107.5 | L50 I58 L87 V90 V99 F103 L112 V114 | L50-I101 HydrophobicContact CD2-CD1 4.46Å; I58-I101 HydrophobicContact CD1-CD1 3.74Å; L87-I101 HydrophobicContact CD1-CG2 3.51Å; V90-I101 HydrophobicContact CG1-CG1 4.17Å; V90-I101 HydrophobicContact CG2-CG1 4.46Å; V90-I101 HydrophobicContact CG2-CG2 4.08Å; V99-I101 HydrophobicContact CG1-CG1 4.09Å; I101-F103 HydrophobicContact CB-CE2 4.09Å; I101-F103 HydrophobicContact CG2-CD2 4.18Å; I101-F103 HydrophobicContact CG2-CE1 4.29Å; I101-F103 HydrophobicContact CG2-CE2 3.38Å; I101-F103 HydrophobicContact CG2-CZ 3.45Å; I101-F103 VanDerWaalsContact CG2-CZ 3.45Å; I101-L112 HydrophobicContact CB-CB 4.28Å; I101-L112 WeakPolarHBondContact CB-O 3.08Å; I101-L112 PolarHBondContact N-O 2.8Å; I101-L112 PolarHBondContact O-N 2.63Å; I101-V114 HydrophobicContact CD1-CG2 4.02Å |
| 102 | Q | 93.2 | Very high | 87.6 | Confident | 42 Ų | 42 | 36 Ų | 36 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130 | -177.1 | -166.8 | 179.1 | 28.3 | 0 | 0 | 111.4 | T88 Q89 A109 H111 | T88-Q102 PolarHBondContact N-O 3.08Å; T88-Q102 PolarHBondContact OG1-O 3.41Å; T88-Q102 VanDerWaalsContact OG1-O 3.08Å; Q89-Q102 HydrophobicContact CB-CB 4.34Å; Q89-Q102 PolarHBondContact O-N 2.96Å; Q102-A109 HydrophobicContact CG-CB 4.23Å; Q102-H111 PolarHBondContact NE2-NE2 2.7Å |
| 103 | F | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.5 | 176.7 | -64.5 | -81.8 | 0 | 0 | 0 | 111 | V26 I39 L41 L82 R85 R86 L87 I101 A109 Y110 L112 | V26-F103 HydrophobicContact CG2-CD1 3.57Å; V26-F103 HydrophobicContact CG2-CE1 3.37Å; V26-F103 HydrophobicContact CG2-CZ 4.26Å; I39-F103 HydrophobicContact CD1-CZ 4.27Å; L41-F103 HydrophobicContact CD2-CE1 4.49Å; L82-F103 HydrophobicContact CD1-CD2 4.05Å; L82-F103 HydrophobicContact CD1-CE2 3.98Å; L82-F103 HydrophobicContact CD2-CB 3.96Å; L82-F103 HydrophobicContact CD2-CD2 3.74Å; L82-F103 HydrophobicContact CD2-CG 4.04Å; L82-F103 HydrophobicContact CG-CD2 4.43Å; R85-F103 HydrophobicContact CB-CB 4.21Å; R86-F103 CarbonylContact O-C 3.52Å; R86-F103 WeakPolarHBondContact O-CA 3.43Å; L87-F103 HydrophobicContact CB-CD1 4.32Å; L87-F103 HydrophobicContact CB-CE1 4.19Å; L87-F103 HydrophobicContact CD1-CD1 4.28Å; L87-F103 HydrophobicContact CD1-CE1 3.92Å; L87-F103 HydrophobicContact CD1-CZ 4.28Å; I101-F103 HydrophobicContact CB-CE2 4.09Å; I101-F103 HydrophobicContact CG2-CD2 4.18Å; I101-F103 HydrophobicContact CG2-CE1 4.29Å; I101-F103 HydrophobicContact CG2-CE2 3.38Å; I101-F103 HydrophobicContact CG2-CZ 3.45Å; I101-F103 VanDerWaalsContact CG2-CZ 3.45Å; F103-A109 WeakPolarHBondContact O-CA 3.38Å; F103-Y110 PolarHBondContact N-O 3.25Å; F103-Y110 PolarHBondContact O-N 2.98Å; F103-L112 HydrophobicContact CD2-CB 4.37Å; F103-L112 HydrophobicContact CE2-CB 3.93Å; F103-L112 HydrophobicContact CE2-CD2 4.17Å |
| 104 | G | 89.3 | Confident | 88.1 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 85.9 | 178.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | R86 T88 | R86-G104 PolarHBondContact O-N 2.9Å; T88-G104 VanDerWaalsContact CG2-O 3.32Å; T88-G104 WeakPolarHBondContact CG2-O 3.34Å; T88-G104 PolarHBondContact OG1-O 2.86Å |
| 105 | S | 85.7 | Confident | 88.6 | Confident | 62 Ų | 62 | 32.6 Ų | 32.6 | 43% | 0.434 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -122.2 | 164.8 | 178.3 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | A108 A109 | S105-A108 CarbonylContact O-C 3.27Å; S105-A108 VanDerWaalsContact O-C 3.25Å; S105-A108 WeakPolarHBondContact O-CA 3.46Å; S105-A108 WeakPolarHBondContact O-CB 3.24Å; S105-A108 PolarHBondContact O-N 3.36Å; S105-A108 VanDerWaalsContact O-N 3.12Å; S105-A109 PolarHBondContact O-N 3.48Å; S105-A109 VanDerWaalsContact O-N 3.13Å |
| 106 | D | 83.6 | Confident | 89.2 | Confident | 133 Ų | 133 | 31.9 Ų | 31.9 | 71% | 0.711 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | 58.1 | -147.7 | 167.1 | -39 | -59.6 | 0 | 0 | 0 | 112.8 | A108 A109 | D106-A108 PolarHBondContact O-N 3.01Å; D106-A109 WeakPolarHBondContact O-CB 3.32Å; D106-A109 PolarHBondContact O-N 3.08Å |
| 107 | E | 78.9 | Confident | 89.2 | Confident | 169 Ų | 169 | 32.8 Ų | 32.8 | 79% | 0.79 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -55.4 | -19.7 | 174.9 | -58.6 | 177.6 | 173.3 | 0 | 0 | 113.1 | H127 | E107-H127 PolarHBondContact O-ND1 2.81Š|
| 108 | A | 82.1 | Confident | 88.7 | Confident | 49 Ų | 49 | 33.5 Ų | 33.5 | 41% | 0.405 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -93.3 | 9.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R85 S105 D106 | R85-A108 PolarHBondContact NH1-O 3.46Å; S105-A108 CarbonylContact O-C 3.27Å; S105-A108 VanDerWaalsContact O-C 3.25Å; S105-A108 WeakPolarHBondContact O-CA 3.46Å; S105-A108 WeakPolarHBondContact O-CB 3.24Å; S105-A108 PolarHBondContact O-N 3.36Å; S105-A108 VanDerWaalsContact O-N 3.12Å; D106-A108 PolarHBondContact O-N 3.01Å |
| 109 | A | 88.6 | Confident | 88 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | trans | -72.5 | 136.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q102 F103 S105 D106 H127 | Q102-A109 HydrophobicContact CG-CB 4.23Å; F103-A109 WeakPolarHBondContact O-CA 3.38Å; S105-A109 PolarHBondContact O-N 3.48Å; S105-A109 VanDerWaalsContact O-N 3.13Å; D106-A109 WeakPolarHBondContact O-CB 3.32Å; D106-A109 PolarHBondContact O-N 3.08Å; A109-H127 HydrophobicContact CB-CB 4.1Å; A109-H127 PolarHBondContact O-N 2.88Å | ||
| 110 | Y | 93.4 | Very high | 87.7 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.8 | 164.2 | -71.9 | -53.6 | 0 | 0 | 0 | 110 | H81 L82 R85 F103 A125 D126 L132 | H81-Y110 HydrophobicContact CB-CD2 3.82Å; H81-Y110 HydrophobicContact CB-CE2 3.7Å; H81-Y110 HydrophobicContact CB-CG 4.36Å; H81-Y110 AromaticContact ND1-CE1 3.84Å; H81-Y110 AromaticContact ND1-CE2 3.6Å; H81-Y110 AromaticContact ND1-CZ 3.27Å; H81-Y110 VanDerWaalsContact ND1-CZ 3.27Å; H81-Y110 PolarHBondContact ND1-OH 3.22Å; H81-Y110 VanDerWaalsContact ND1-OH 3.13Å; H81-Y110 VanDerWaalsContact O-CD2 3.23Å; H81-Y110 WeakPolarHBondContact O-CD2 3.12Å; H81-Y110 WeakPolarHBondContact O-CE2 3.5Å; L82-Y110 HydrophobicContact CD2-CD2 4.38Å; L82-Y110 HydrophobicContact CD2-CG 4.41Å; R85-Y110 VanDerWaalsContact CZ-CE2 3.44Å; F103-Y110 PolarHBondContact N-O 3.25Å; F103-Y110 PolarHBondContact O-N 2.98Å; Y110-A125 WeakPolarHBondContact CA-O 3.24Å; Y110-D126 HydrophobicContact CD1-CB 4.26Å; Y110-D126 HydrophobicContact CE1-CB 4.2Å; Y110-L132 HydrophobicContact CD1-CD1 3.8Å; Y110-L132 HydrophobicContact CE1-CD1 3.56Å |
| 111 | H | 92.8 | Very high | 87.5 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.7 | -178.2 | -73.4 | -90.1 | 0 | 0 | 0 | 109.9 | D100 Q102 I113 A125 D126 Y129 | D100-H111 VanDerWaalsContact CG-ND1 3.31Å; D100-H111 WeakPolarHBondContact OD1-CB 3.22Å; D100-H111 IonicContact OD1-CE1 3.48Å; D100-H111 IonicContact OD1-CG 3.39Å; D100-H111 IonicContact OD1-ND1 2.78Å; D100-H111 PolarHBondContact OD1-ND1 3.25Å; D100-H111 IonicContact OD2-CE1 2.65Å; D100-H111 IonicContact OD2-ND1 2.99Å; D100-H111 PolarHBondContact OD2-ND1 2.99Å; Q102-H111 PolarHBondContact NE2-NE2 2.7Å; H111-I113 HydrophobicContact CB-CG1 4.43Å; H111-A125 HydrophobicContact CB-CB 4.4Å; H111-A125 PolarHBondContact N-O 3.39Å; H111-A125 PolarHBondContact O-N 2.85Å; H111-D126 PolarHBondContact CD2-O 2.99Å; H111-Y129 HydrophobicContact CB-CD1 4.49Å; H111-Y129 HydrophobicContact CB-CE1 4.21Å; H111-Y129 AromaticContact CE1-CZ 3.79Å; H111-Y129 PolarHBondContact CE1-OH 3.47Å; H111-Y129 AromaticContact CG-CE1 3.89Å; H111-Y129 AromaticContact ND1-CE1 3.76Å; H111-Y129 AromaticContact ND1-CZ 3.69Å; H111-Y129 PolarHBondContact ND1-OH 3.13Å |
| 112 | L | 93.5 | Very high | 87.4 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 100.2 | 172.1 | -174.7 | 71.4 | 0 | 0 | 0 | 108.7 | I39 F74 L82 I101 F103 I122 I123 L124 | I39-L112 HydrophobicContact CD1-CD2 3.57Å; F74-L112 HydrophobicContact CE1-CD1 4.45Å; F74-L112 HydrophobicContact CZ-CD1 4.25Å; L82-L112 HydrophobicContact CD1-CD2 4.36Å; I101-L112 HydrophobicContact CB-CB 4.28Å; I101-L112 WeakPolarHBondContact CB-O 3.08Å; I101-L112 PolarHBondContact N-O 2.8Å; I101-L112 PolarHBondContact O-N 2.63Å; F103-L112 HydrophobicContact CD2-CB 4.37Å; F103-L112 HydrophobicContact CE2-CB 3.93Å; F103-L112 HydrophobicContact CE2-CD2 4.17Å; L112-I122 HydrophobicContact CD1-CG2 3.77Å; L112-I122 HydrophobicContact CG-CG2 4.27Å; L112-I123 CarbonylContact C-O 3.48Å; L112-I123 WeakPolarHBondContact CA-O 3.34Å; L112-L124 HydrophobicContact CD1-CB 4.42Å; L112-L124 HydrophobicContact CD1-CD1 4.45Å |
| 113 | I | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.3 | -174.9 | -47.4 | 173.3 | 0 | 0 | 0 | 109 | L93 I98 V99 H111 I122 I123 Y129 Y154 | L93-I113 HydrophobicContact CD1-CG2 4.24Å; I98-I113 HydrophobicContact CG2-CG2 3.51Å; V99-I113 CarbonylContact O-C 3.25Å; V99-I113 WeakPolarHBondContact O-CA 3.32Å; H111-I113 HydrophobicContact CB-CG1 4.43Å; I113-I122 WeakPolarHBondContact O-CA 3.45Å; I113-I123 HydrophobicContact CB-CB 4.3Å; I113-I123 PolarHBondContact N-O 2.88Å; I113-I123 PolarHBondContact O-N 2.87Å; I113-Y129 HydrophobicContact CD1-CD1 3.88Å; I113-Y129 HydrophobicContact CD1-CE1 4.23Å; I113-Y154 HydrophobicContact CD1-CD1 3.53Å; I113-Y154 HydrophobicContact CD1-CD2 4.47Å; I113-Y154 HydrophobicContact CD1-CE1 4Å; I113-Y154 HydrophobicContact CD1-CG 3.79Å; I113-Y154 HydrophobicContact CG2-CE1 3.97Å |
| 114 | V | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111.9 | -176.2 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | V52 I98 V99 I101 L116 I122 | V52-V114 HydrophobicContact CG1-CB 4.37Å; V52-V114 HydrophobicContact CG1-CG1 3.67Å; V52-V114 HydrophobicContact CG1-CG2 3.7Å; I98-V114 WeakPolarHBondContact CA-O 3.3Å; V99-V114 HydrophobicContact CB-CB 4.39Å; V99-V114 PolarHBondContact N-O 2.88Å; V99-V114 PolarHBondContact O-N 3.24Å; I101-V114 HydrophobicContact CD1-CG2 4.02Å; V114-L116 HydrophobicContact CG1-CD2 3.7Å; V114-L116 HydrophobicContact CG1-CG 4.08Å; V114-I122 HydrophobicContact CG2-CG2 4.48Å |
| 115 | E | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 112.3 | 174.9 | -65.6 | 178.7 | -178.2 | 0 | 0 | 109.5 | G55 Y117 G120 N121 R138 Y154 | G55-E115 WeakPolarHBondContact CA-O 3.41Å; G55-E115 PolarHBondContact N-O 3.48Å; E115-Y117 HydrophobicContact CB-CD1 4.01Å; E115-Y117 HydrophobicContact CB-CE1 3.72Å; E115-Y117 HydrophobicContact CG-CE1 3.8Å; E115-G120 WeakPolarHBondContact O-CA 3.46Å; E115-N121 HydrophobicContact CB-CB 4.07Å; E115-N121 HydrophobicContact CG-CB 4.17Å; E115-N121 PolarHBondContact N-O 3.13Å; E115-N121 PolarHBondContact O-N 3.12Å; E115-N121 WeakPolarHBondContact OE2-CB 3.33Å; E115-R138 IonicContact OE2-CZ 3.4Å; E115-R138 IonicContact OE2-NE 2.75Å; E115-R138 IonicContact OE2-NH2 3.19Å; E115-R138 PolarHBondContact OE2-NH2 2.85Å; E115-Y154 WeakPolarHBondContact OE1-CE2 3.49Å; E115-Y154 PolarHBondContact OE1-OH 3.3Å |
| 116 | L | 87.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -98 | 24.1 | -178.1 | -62.1 | 176.6 | 0 | 0 | 0 | 113 | I10 I58 R97 V99 V114 | I10-L116 HydrophobicContact CD1-CB 4.3Å; I10-L116 HydrophobicContact CD1-CD1 3.74Å; I10-L116 HydrophobicContact CG1-CD1 3.86Å; I58-L116 HydrophobicContact CG2-CD1 4.12Å; R97-L116 HydrophobicContact CB-CB 4.26Å; R97-L116 WeakPolarHBondContact O-CB 3.44Å; R97-L116 PolarHBondContact O-N 3.31Å; V99-L116 HydrophobicContact CG2-CD1 3.97Å; V114-L116 HydrophobicContact CG1-CD2 3.7Å; V114-L116 HydrophobicContact CG1-CG 4.08Å | ||
| 117 | Y | 82 | Confident | 88 | Confident | 67 Ų | 67 | 36.4 Ų | 36.4 | 26% | 0.263 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -125.2 | 161.7 | -177.7 | 69.3 | -81.2 | 0 | 0 | 0 | 113.8 | I98 E115 R119 G120 R138 | I98-Y117 HydrophobicContact CD1-CE1 3.9Å; I98-Y117 HydrophobicContact CG1-CD1 4.2Å; I98-Y117 HydrophobicContact CG1-CE1 3.77Å; E115-Y117 HydrophobicContact CB-CD1 4.01Å; E115-Y117 HydrophobicContact CB-CE1 3.72Å; E115-Y117 HydrophobicContact CG-CE1 3.8Å; Y117-R119 PolarHBondContact O-N 3.18Å; Y117-G120 WeakPolarHBondContact O-CA 3.48Å; Y117-G120 PolarHBondContact O-N 2.8Å; Y117-R138 PolarHBondContact OH-NH2 2.8Å |
| 118 | D | 76.1 | Confident | 88.4 | Confident | 97 Ų | 97 | 34 Ų | 34 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | -105.2 | -173.4 | 175.4 | 49 | 0 | 0 | 0 | 114.2 | R4 | R4-D118 PolarHBondContact NH1-O 3.31Å; R4-D118 PolarHBondContact NH2-O 2.98Å |
| 119 | R | 76 | Confident | 88.8 | Confident | 195 Ų | 195 | 33.1 Ų | 33.1 | 74% | 0.736 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -17.2 | -179.6 | -79 | 175.5 | 179.2 | -160.9 | 3.4 | 112.5 | Y117 R136 | Y117-R119 PolarHBondContact O-N 3.18Å; R119-R136 PolarHBondContact O-NH1 3Å; R119-R136 PolarHBondContact O-NH2 2.81Å |
| 120 | G | 83.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | trans | 77.5 | 148.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | S54 E115 Y117 R136 | S54-G120 PolarHBondContact OG-O 3.18Å; E115-G120 WeakPolarHBondContact O-CA 3.46Å; Y117-G120 WeakPolarHBondContact O-CA 3.48Å; Y117-G120 PolarHBondContact O-N 2.8Å; G120-R136 PolarHBondContact O-NH1 3.08Å | ||
| 121 | N | 89.3 | Confident | 88.7 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 160.3 | 170.8 | -152.2 | -0.8 | 0 | 0 | 0 | 109.5 | S54 E115 I123 L135 R136 | S54-N121 PolarHBondContact OG-N 2.65Å; E115-N121 HydrophobicContact CB-CB 4.07Å; E115-N121 HydrophobicContact CG-CB 4.17Å; E115-N121 PolarHBondContact N-O 3.13Å; E115-N121 PolarHBondContact O-N 3.12Å; E115-N121 WeakPolarHBondContact OE2-CB 3.33Å; N121-I123 HydrophobicContact CB-CG1 4.46Å; N121-L135 WeakPolarHBondContact OD1-CB 3.4Å; N121-L135 PolarHBondContact OD1-N 3.31Å; N121-R136 PolarHBondContact ND2-O 3.47Å; N121-R136 PolarHBondContact OD1-N 2.72Å; N121-R136 PolarHBondContact OD1-O 3.46Å |
| 122 | I | 91.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.8 | 168.1 | -50.4 | 177.9 | 0 | 0 | 0 | 105.9 | Y37 V52 F74 L112 I113 V114 L134 L135 | Y37-I122 HydrophobicContact CD2-CD1 3.55Å; Y37-I122 HydrophobicContact CE2-CD1 3.91Å; V52-I122 HydrophobicContact CG1-CD1 3.92Å; F74-I122 HydrophobicContact CE1-CB 4.28Å; F74-I122 HydrophobicContact CE1-CG2 3.89Å; F74-I122 WeakPolarHBondContact CE2-O 3.46Å; F74-I122 HydrophobicContact CZ-CB 3.9Å; F74-I122 HydrophobicContact CZ-CG2 3.61Å; L112-I122 HydrophobicContact CD1-CG2 3.77Å; L112-I122 HydrophobicContact CG-CG2 4.27Å; I113-I122 WeakPolarHBondContact O-CA 3.45Å; V114-I122 HydrophobicContact CG2-CG2 4.48Å; I122-L134 CarbonylContact O-C 3.53Å; I122-L134 WeakPolarHBondContact O-CA 3.47Å; I122-L135 HydrophobicContact CB-CB 4.34Å; I122-L135 HydrophobicContact CB-CD2 4.48Å; I122-L135 HydrophobicContact CD1-CD2 4.27Å; I122-L135 HydrophobicContact CG1-CD2 4.15Å; I122-L135 PolarHBondContact O-N 2.88Å |
| 123 | I | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.2 | -168.1 | -58.9 | 172.5 | 0 | 0 | 0 | 107.9 | L112 I113 N121 I131 L134 I148 Y154 | L112-I123 CarbonylContact C-O 3.48Å; L112-I123 WeakPolarHBondContact CA-O 3.34Å; I113-I123 HydrophobicContact CB-CB 4.3Å; I113-I123 PolarHBondContact N-O 2.88Å; I113-I123 PolarHBondContact O-N 2.87Å; N121-I123 HydrophobicContact CB-CG1 4.46Å; I123-I131 HydrophobicContact CG2-CB 3.71Å; I123-I131 HydrophobicContact CG2-CD1 4.16Å; I123-I131 HydrophobicContact CG2-CG1 3.75Å; I123-I131 HydrophobicContact CG2-CG2 4.13Å; I123-L134 HydrophobicContact CG1-CB 4.02Å; I123-I148 HydrophobicContact CD1-CG2 4.05Å; I123-Y154 HydrophobicContact CD1-CD2 3.71Å; I123-Y154 HydrophobicContact CD1-CE2 3.29Å |
| 124 | L | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.9 | 176 | 176.1 | 67.4 | 0 | 0 | 0 | 108 | K77 H81 L82 L112 L132 N133 | K77-L124 HydrophobicContact CB-CD2 4.37Å; H81-L124 HydrophobicContact CB-CD2 4.16Å; L82-L124 HydrophobicContact CD1-CD1 4.34Å; L82-L124 HydrophobicContact CD2-CD1 3.91Å; L82-L124 HydrophobicContact CG-CD1 4.24Å; L112-L124 HydrophobicContact CD1-CB 4.42Å; L112-L124 HydrophobicContact CD1-CD1 4.45Å; L124-L132 WeakPolarHBondContact O-CA 3.38Å; L124-L132 WeakPolarHBondContact O-CB 3.27Å; L124-L132 PolarHBondContact O-N 2.96Å; L124-N133 HydrophobicContact CB-CB 4.34Å; L124-N133 PolarHBondContact N-O 2.96Å; L124-N133 PolarHBondContact O-N 2.83Å; L124-N133 VanDerWaalsContact O-N 3.08Å |
| 125 | A | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 165.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | Y110 H111 T130 | Y110-A125 WeakPolarHBondContact CA-O 3.24Å; H111-A125 HydrophobicContact CB-CB 4.4Å; H111-A125 PolarHBondContact N-O 3.39Å; H111-A125 PolarHBondContact O-N 2.85Å; A125-T130 WeakPolarHBondContact CA-O 3.06Å; A125-T130 WeakPolarHBondContact CB-O 3.33Å |
| 126 | D | 91.6 | Very high | 87.4 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -175 | 169.4 | 55 | 37.8 | 0 | 0 | 0 | 112.9 | Y110 H111 E128 Y129 T130 L132 | Y110-D126 HydrophobicContact CD1-CB 4.26Å; Y110-D126 HydrophobicContact CE1-CB 4.2Å; H111-D126 PolarHBondContact CD2-O 2.99Å; D126-E128 PolarHBondContact O-N 3.44Å; D126-E128 PolarHBondContact OD1-N 2.93Å; D126-Y129 WeakPolarHBondContact O-CA 3.25Å; D126-Y129 PolarHBondContact O-N 2.85Å; D126-T130 PolarHBondContact N-O 3.08Å; D126-T130 VanDerWaalsContact N-O 3.1Å; D126-T130 WeakPolarHBondContact OD1-CA 3.44Å; D126-T130 WeakPolarHBondContact OD1-CB 3.42Å; D126-T130 PolarHBondContact OD1-N 3.48Å; D126-T130 WeakPolarHBondContact OD2-CB 3.41Å; D126-L132 HydrophobicContact CB-CD1 4.42Å |
| 127 | H | 90.2 | Very high | 87 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 39% | 0.389 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.3 | -176.8 | 69.3 | -105.5 | 0 | 0 | 0 | 113.9 | E107 A109 Y129 | E107-H127 PolarHBondContact O-ND1 2.81Å; A109-H127 HydrophobicContact CB-CB 4.1Å; A109-H127 PolarHBondContact O-N 2.88Å; H127-Y129 VanDerWaalsContact C-N 3.26Å |
| 128 | E | 88.1 | Confident | 86.5 | Confident | 119 Ų | 119 | 47.1 Ų | 47.1 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.3 | 174 | -59.2 | -165.2 | 138.5 | 0 | 0 | 112.9 | D126 T130 R153 | D126-E128 PolarHBondContact O-N 3.44Å; D126-E128 PolarHBondContact OD1-N 2.93Å; E128-T130 VanDerWaalsContact C-N 3.34Å; E128-R153 PolarHBondContact O-NE 2.79Å |
| 129 | Y | 88.7 | Confident | 85.9 | Confident | 30 Ų | 30 | 47 Ų | 47 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | trans | 66.7 | 24.1 | -165.9 | -67.6 | -93.8 | 0 | 0 | 0 | 114.3 | K91 D100 H111 I113 D126 H127 Y154 V156 | K91-Y129 WeakPolarHBondContact CE-OH 3.43Å; K91-Y129 PolarHBondContact NZ-OH 3.25Å; D100-Y129 WeakPolarHBondContact OD2-CE1 3.23Å; D100-Y129 PolarHBondContact OD2-OH 2.93Å; H111-Y129 HydrophobicContact CB-CD1 4.49Å; H111-Y129 HydrophobicContact CB-CE1 4.21Å; H111-Y129 AromaticContact CE1-CZ 3.79Å; H111-Y129 PolarHBondContact CE1-OH 3.47Å; H111-Y129 AromaticContact CG-CE1 3.89Å; H111-Y129 AromaticContact ND1-CE1 3.76Å; H111-Y129 AromaticContact ND1-CZ 3.69Å; H111-Y129 PolarHBondContact ND1-OH 3.13Å; I113-Y129 HydrophobicContact CD1-CD1 3.88Å; I113-Y129 HydrophobicContact CD1-CE1 4.23Å; D126-Y129 WeakPolarHBondContact O-CA 3.25Å; D126-Y129 PolarHBondContact O-N 2.85Å; H127-Y129 VanDerWaalsContact C-N 3.26Å; Y129-Y154 PolarHBondContact O-N 3.21Å; Y129-V156 HydrophobicContact CD1-CG2 3.56Å; Y129-V156 HydrophobicContact CD2-CG2 4.32Å; Y129-V156 HydrophobicContact CE1-CG2 3.89Å; Y129-V156 HydrophobicContact CG-CG2 3.81Å | ||
| 130 | T | 88.9 | Confident | 85 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 126.8 | 174.5 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | A125 D126 E128 L132 | A125-T130 WeakPolarHBondContact CA-O 3.06Å; A125-T130 WeakPolarHBondContact CB-O 3.33Å; D126-T130 PolarHBondContact N-O 3.08Å; D126-T130 VanDerWaalsContact N-O 3.1Å; D126-T130 WeakPolarHBondContact OD1-CA 3.44Å; D126-T130 WeakPolarHBondContact OD1-CB 3.42Å; D126-T130 PolarHBondContact OD1-N 3.48Å; D126-T130 WeakPolarHBondContact OD2-CB 3.41Å; E128-T130 VanDerWaalsContact C-N 3.34Å; T130-L132 PolarHBondContact O-N 2.85Å |
| 131 | I | 91.1 | Very high | 83.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.2 | -167.3 | -20.3 | 142 | 0 | 0 | 0 | 111.8 | I123 L134 I148 A149 V150 R151 E152 Y154 | I123-I131 HydrophobicContact CG2-CB 3.71Å; I123-I131 HydrophobicContact CG2-CD1 4.16Å; I123-I131 HydrophobicContact CG2-CG1 3.75Å; I123-I131 HydrophobicContact CG2-CG2 4.13Å; I131-L134 HydrophobicContact CG2-CB 4.45Å; I131-L134 HydrophobicContact CG2-CD2 4.26Å; I131-L134 HydrophobicContact CG2-CG 4.42Å; I131-I148 HydrophobicContact CD1-CG2 3.64Å; I131-A149 WeakPolarHBondContact CG2-O 3.19Å; I131-V150 HydrophobicContact CG2-CG2 4.48Å; I131-R151 PolarHBondContact O-N 3.17Å; I131-E152 VanDerWaalsContact CG1-O 3.32Å; I131-E152 WeakPolarHBondContact CG1-O 3.31Å; I131-E152 PolarHBondContact N-O 3.45Å; I131-Y154 HydrophobicContact CD1-CD2 4.11Å |
| 132 | L | 88.1 | Confident | 81.4 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -30.4 | 177.6 | -53.4 | 176.5 | 0 | 0 | 0 | 111.9 | K77 Y110 L124 D126 T130 | K77-L132 PolarHBondContact NZ-O 2.86Å; Y110-L132 HydrophobicContact CD1-CD1 3.8Å; Y110-L132 HydrophobicContact CE1-CD1 3.56Å; L124-L132 WeakPolarHBondContact O-CA 3.38Å; L124-L132 WeakPolarHBondContact O-CB 3.27Å; L124-L132 PolarHBondContact O-N 2.96Å; D126-L132 HydrophobicContact CB-CD1 4.42Å; T130-L132 PolarHBondContact O-N 2.85Å |
| 133 | N | 89.4 | Confident | 79.2 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 158.4 | 173.2 | -152.2 | 54.1 | 0 | 0 | 0 | 112.2 | F74 K77 L124 | F74-N133 WeakPolarHBondContact CD2-ND2 3.47Å; F74-N133 HydrophobicContact CE2-CB 4.48Å; K77-N133 HydrophobicContact CD-CB 3.58Å; K77-N133 WeakPolarHBondContact CD-OD1 3.2Å; K77-N133 WeakPolarHBondContact CE-OD1 3.49Å; K77-N133 PolarHBondContact NZ-OD1 3.25Å; L124-N133 HydrophobicContact CB-CB 4.34Å; L124-N133 PolarHBondContact N-O 2.96Å; L124-N133 PolarHBondContact O-N 2.83Å; L124-N133 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 89.3 | Confident | 77.3 | Confident | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160.1 | 172.3 | 50.7 | 66 | 0 | 0 | 0 | 110 | I122 I123 I131 F137 I148 V150 | I122-L134 CarbonylContact O-C 3.53Å; I122-L134 WeakPolarHBondContact O-CA 3.47Å; I123-L134 HydrophobicContact CG1-CB 4.02Å; I131-L134 HydrophobicContact CG2-CB 4.45Å; I131-L134 HydrophobicContact CG2-CD2 4.26Å; I131-L134 HydrophobicContact CG2-CG 4.42Å; L134-F137 HydrophobicContact CD1-CB 4.48Å; L134-F137 HydrophobicContact CD1-CD1 3.72Å; L134-F137 HydrophobicContact CD1-CD2 4Å; L134-F137 HydrophobicContact CD1-CE1 3.8Å; L134-F137 HydrophobicContact CD1-CE2 4.07Å; L134-F137 HydrophobicContact CD1-CG 3.81Å; L134-F137 HydrophobicContact CD1-CZ 3.97Å; L134-F137 HydrophobicContact CD2-CD1 4.3Å; L134-F137 HydrophobicContact CG-CD1 4.5Å; L134-I148 HydrophobicContact CD2-CG2 3.88Å; L134-I148 WeakPolarHBondContact CD2-O 3.32Å; L134-V150 HydrophobicContact CG-CG2 4.09Å |
| 135 | L | 84.9 | Confident | 75.6 | Confident | 35 Ų | 35 | 73.7 Ų | 73.7 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -82.8 | -36.6 | 179.4 | -175.5 | 60.8 | 0 | 0 | 0 | 111.5 | Y37 F74 N121 I122 | Y37-L135 HydrophobicContact CE2-CD1 4.32Å; Y37-L135 HydrophobicContact CE2-CD2 4.2Å; Y37-L135 VanDerWaalsContact OH-CD1 3.31Å; Y37-L135 WeakPolarHBondContact OH-CD1 3.42Å; F74-L135 HydrophobicContact CD2-CB 4.24Å; F74-L135 HydrophobicContact CD2-CD1 4.48Å; F74-L135 HydrophobicContact CE2-CB 4.34Å; F74-L135 HydrophobicContact CG-CD1 4.46Å; N121-L135 WeakPolarHBondContact OD1-CB 3.4Å; N121-L135 PolarHBondContact OD1-N 3.31Å; I122-L135 HydrophobicContact CB-CB 4.34Å; I122-L135 HydrophobicContact CB-CD2 4.48Å; I122-L135 HydrophobicContact CD1-CD2 4.27Å; I122-L135 HydrophobicContact CG1-CD2 4.15Å; I122-L135 PolarHBondContact O-N 2.88Å |
| 136 | R | 82.8 | Confident | 74.2 | Confident | 75 Ų | 75 | 76.9 Ų | 76.9 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -140.9 | 130.8 | 176.7 | -55.4 | -174.1 | -156.4 | 141.2 | 22.7 | 110.9 | S54 R119 G120 N121 | S54-R136 PolarHBondContact OG-NH2 2.95Å; R119-R136 PolarHBondContact O-NH1 3Å; R119-R136 PolarHBondContact O-NH2 2.81Å; G120-R136 PolarHBondContact O-NH1 3.08Å; N121-R136 PolarHBondContact ND2-O 3.47Å; N121-R136 PolarHBondContact OD1-N 2.72Å; N121-R136 PolarHBondContact OD1-O 3.46Å |
| 137 | F | 78.3 | Confident | 73.2 | Confident | 144 Ų | 144 | 80.7 Ų | 80.7 | 63% | 0.632 | 41% | 0.407 | S | S | * | . | trans | -70 | 140.9 | 174.2 | -60.4 | -89.2 | 0 | 0 | 0 | 109.6 | L134 V150 | L134-F137 HydrophobicContact CD1-CB 4.48Å; L134-F137 HydrophobicContact CD1-CD1 3.72Å; L134-F137 HydrophobicContact CD1-CD2 4Å; L134-F137 HydrophobicContact CD1-CE1 3.8Å; L134-F137 HydrophobicContact CD1-CE2 4.07Å; L134-F137 HydrophobicContact CD1-CG 3.81Å; L134-F137 HydrophobicContact CD1-CZ 3.97Å; L134-F137 HydrophobicContact CD2-CD1 4.3Å; L134-F137 HydrophobicContact CG-CD1 4.5Å; F137-V150 HydrophobicContact CE1-CG2 4.16Å | ||
| 138 | R | 73.2 | Confident | 72.7 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 23% | 0.226 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -109.7 | 111.7 | 162.5 | -60.1 | -167.1 | -168.1 | -148.3 | 7 | 108.5 | E115 Y117 I148 | E115-R138 IonicContact OE2-CZ 3.4Å; E115-R138 IonicContact OE2-NE 2.75Å; E115-R138 IonicContact OE2-NH2 3.19Å; E115-R138 PolarHBondContact OE2-NH2 2.85Å; Y117-R138 PolarHBondContact OH-NH2 2.8Å; R138-I148 HydrophobicContact CB-CB 4.15Å; R138-I148 HydrophobicContact CB-CG1 4.2Å; R138-I148 HydrophobicContact CG-CB 4.45Å; R138-I148 HydrophobicContact CG-CD1 4.25Å; R138-I148 HydrophobicContact CG-CG1 4.4Å; R138-I148 PolarHBondContact N-O 3.45Å; R138-I148 PolarHBondContact O-N 2.78Å; R138-I148 VanDerWaalsContact O-N 3.09Å |
| 139 | T | 62.4 | Low | 72.4 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | trans | -85.7 | 130.8 | 166.8 | 38.6 | 0 | 0 | 0 | 0 | 108.7 | E141 | T139-E141 PolarHBondContact O-N 3.16Š| ||
| 140 | A | 57.2 | Low | 72.1 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | trans | -66.1 | 102.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | D145 K147 | A140-D145 WeakPolarHBondContact CB-O 3.37Å; A140-K147 HydrophobicContact CB-CB 4.49Å | ||
| 141 | E | 49.9 | Very low | 71.9 | Confident | 181 Ų | 181 | 82.8 Ų | 82.8 | 85% | 0.846 | 41% | 0.413 | S | S | * | . | trans | -95.4 | 4.1 | 173.7 | -68.4 | -174.1 | 170.8 | 0 | 0 | 112.3 | T139 | T139-E141 PolarHBondContact O-N 3.16Š| ||
| 142 | G | 48.4 | Very low | 71.6 | Confident | 43 Ų | 43 | 85.4 Ų | 85.4 | 44% | 0.443 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -158.9 | 165.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E144 D145 | G142-E144 VanDerWaalsContact C-N 3.25Å; G142-E144 PolarHBondContact O-N 2.91Å; G142-D145 PolarHBondContact O-N 2.97Å |
| 143 | E | 44.8 | Very low | 71.5 | Confident | 214 Ų | 214 | 90.5 Ų | 90.5 | 100% | 1 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.5 | -169.9 | -63.7 | 177.4 | 129.8 | 0 | 0 | 114.7 | ||
| 144 | E | 50.8 | Low | 71.3 | Confident | 193 Ų | 193 | 90 Ų | 90 | 90% | 0.902 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -14.2 | 179.6 | -61.8 | -176.4 | 148 | 0 | 0 | 114.2 | G142 | G142-E144 VanDerWaalsContact C-N 3.25Å; G142-E144 PolarHBondContact O-N 2.91Å |
| 145 | D | 56.5 | Low | 70.9 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -97.3 | 104.1 | -167.4 | -155.8 | 12.7 | 0 | 0 | 0 | 111.3 | A140 G142 K147 | A140-D145 WeakPolarHBondContact CB-O 3.37Å; G142-D145 PolarHBondContact O-N 2.97Å; D145-K147 PolarHBondContact O-N 2.99Å |
| 146 | V | 64.2 | Low | 70.5 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 40% | 0.4 | 45% | 0.45 | S | S | . | . | trans | -64.5 | 125.8 | -176.4 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | I148 P155 N158 | V146-I148 WeakPolarHBondContact O-CG1 3.49Å; V146-I148 PolarHBondContact O-N 2.89Å; V146-P155 HydrophobicContact CG1-CB 4.34Å; V146-P155 HydrophobicContact CG1-CG 4Å; V146-N158 WeakPolarHBondContact CG2-ND2 3.19Å | ||
| 147 | K | 70.2 | Confident | 69.8 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | trans | -58.8 | 129.8 | 176 | -173.3 | -170.4 | 173.1 | -162.3 | 0 | 110.6 | A140 D145 E152 | A140-K147 HydrophobicContact CB-CB 4.49Å; D145-K147 PolarHBondContact O-N 2.99Å; K147-E152 WeakPolarHBondContact CD-OE1 3.33Å; K147-E152 WeakPolarHBondContact CD-OE2 3.41Å; K147-E152 WeakPolarHBondContact CE-OE1 3.46Å; K147-E152 WeakPolarHBondContact CG-OE2 2.85Å; K147-E152 IonicContact NZ-OE1 3.5Å; K147-E152 PolarHBondContact NZ-OE1 3.39Å; K147-E152 IonicContact NZ-OE2 3.49Å | ||
| 148 | I | 79.3 | Confident | 69.3 | Low | 10 Ų | 10 | 93.6 Ų | 93.6 | 5% | 0.051 | 47% | 0.468 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 95.6 | 175.2 | -47.2 | -174.6 | 0 | 0 | 0 | 108.2 | I123 I131 L134 R138 V146 Y154 | I123-I148 HydrophobicContact CD1-CG2 4.05Å; I131-I148 HydrophobicContact CD1-CG2 3.64Å; L134-I148 HydrophobicContact CD2-CG2 3.88Å; L134-I148 WeakPolarHBondContact CD2-O 3.32Å; R138-I148 HydrophobicContact CB-CB 4.15Å; R138-I148 HydrophobicContact CB-CG1 4.2Å; R138-I148 HydrophobicContact CG-CB 4.45Å; R138-I148 HydrophobicContact CG-CD1 4.25Å; R138-I148 HydrophobicContact CG-CG1 4.4Å; R138-I148 PolarHBondContact N-O 3.45Å; R138-I148 PolarHBondContact O-N 2.78Å; R138-I148 VanDerWaalsContact O-N 3.09Å; V146-I148 WeakPolarHBondContact O-CG1 3.49Å; V146-I148 PolarHBondContact O-N 2.89Å; I148-Y154 HydrophobicContact CD1-CE2 4.2Å |
| 149 | A | 81.2 | Confident | 69.1 | Low | 20 Ų | 20 | 91.5 Ų | 91.5 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | trans | -125.7 | 169.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | I131 E152 | I131-A149 WeakPolarHBondContact CG2-O 3.19Å; A149-E152 WeakPolarHBondContact CB-OE2 3.31Å; A149-E152 PolarHBondContact N-OE2 2.82Å; A149-E152 PolarHBondContact O-N 3.12Å | ||
| 150 | V | 83.1 | Confident | 69.4 | Low | 53 Ų | 53 | 94.4 Ų | 94.4 | 32% | 0.321 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 135.1 | -179.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | I131 L134 F137 E152 | I131-V150 HydrophobicContact CG2-CG2 4.48Å; L134-V150 HydrophobicContact CG-CG2 4.09Å; F137-V150 HydrophobicContact CE1-CG2 4.16Å; V150-E152 VanDerWaalsContact C-N 3.34Å |
| 151 | R | 84.5 | Confident | 69.7 | Low | 225 Ų | 225 | 96.2 Ų | 96.2 | 85% | 0.849 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 10.3 | -168.2 | -55.7 | 176.4 | 175.8 | 164.1 | -4.3 | 116.2 | I131 | I131-R151 PolarHBondContact O-N 3.17Š|
| 152 | E | 85.7 | Confident | 70.3 | Confident | 57 Ų | 57 | 92.5 Ų | 92.5 | 27% | 0.266 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -95.5 | 154 | 166.9 | -66.6 | 170.3 | 167.3 | 0 | 0 | 109.3 | I131 K147 A149 V150 | I131-E152 VanDerWaalsContact CG1-O 3.32Å; I131-E152 WeakPolarHBondContact CG1-O 3.31Å; I131-E152 PolarHBondContact N-O 3.45Å; K147-E152 WeakPolarHBondContact CD-OE1 3.33Å; K147-E152 WeakPolarHBondContact CD-OE2 3.41Å; K147-E152 WeakPolarHBondContact CE-OE1 3.46Å; K147-E152 WeakPolarHBondContact CG-OE2 2.85Å; K147-E152 IonicContact NZ-OE1 3.5Å; K147-E152 PolarHBondContact NZ-OE1 3.39Å; K147-E152 IonicContact NZ-OE2 3.49Å; A149-E152 WeakPolarHBondContact CB-OE2 3.31Å; A149-E152 PolarHBondContact N-OE2 2.82Å; A149-E152 PolarHBondContact O-N 3.12Å; V150-E152 VanDerWaalsContact C-N 3.34Å |
| 153 | R | 85.7 | Confident | 70.9 | Confident | 152 Ų | 152 | 96.2 Ų | 96.2 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | B | Isolated β-bridge | trans | -79.6 | 133 | 177.1 | -169.1 | 177.6 | -177.7 | -123.4 | 2.6 | 109.4 | E128 E157 | E128-R153 PolarHBondContact O-NE 2.79Å; R153-E157 IonicContact NH1-OE1 2.73Å; R153-E157 PolarHBondContact NH1-OE1 2.77Å |
| 154 | Y | 84.9 | Confident | 71.6 | Confident | 11 Ų | 11 | 91.2 Ų | 91.2 | 4% | 0.043 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 131 | 177.9 | -169.7 | -104.7 | 0 | 0 | 0 | 110.4 | L93 I113 E115 I123 Y129 I131 I148 V156 | L93-Y154 HydrophobicContact CD1-CE1 4.36Å; I113-Y154 HydrophobicContact CD1-CD1 3.53Å; I113-Y154 HydrophobicContact CD1-CD2 4.47Å; I113-Y154 HydrophobicContact CD1-CE1 4Å; I113-Y154 HydrophobicContact CD1-CG 3.79Å; I113-Y154 HydrophobicContact CG2-CE1 3.97Å; E115-Y154 WeakPolarHBondContact OE1-CE2 3.49Å; E115-Y154 PolarHBondContact OE1-OH 3.3Å; I123-Y154 HydrophobicContact CD1-CD2 3.71Å; I123-Y154 HydrophobicContact CD1-CE2 3.29Å; Y129-Y154 PolarHBondContact O-N 3.21Å; I131-Y154 HydrophobicContact CD1-CD2 4.11Å; I148-Y154 HydrophobicContact CD1-CE2 4.2Å; Y154-V156 VanDerWaalsContact C-N 3.26Å; Y154-V156 HydrophobicContact CD1-CG2 3.99Å; Y154-V156 PolarHBondContact O-N 3.42Å |
| 155 | P | 80.8 | Confident | 72.1 | Confident | 34 Ų | 34 | 85.2 Ų | 85.2 | 22% | 0.221 | 43% | 0.428 | C | S | . | . | trans | -78.5 | 72 | -176.5 | 33.5 | -37.5 | 0 | 0 | 0 | 111.4 | V146 E157 N158 | V146-P155 HydrophobicContact CG1-CB 4.34Å; V146-P155 HydrophobicContact CG1-CG 4Å; P155-E157 PolarHBondContact O-N 2.69Å; P155-N158 HydrophobicContact CB-CB 4.29Å; P155-N158 WeakPolarHBondContact O-CB 3.19Å; P155-N158 PolarHBondContact O-N 2.89Å | ||
| 156 | V | 75.9 | Confident | 72.5 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -56.6 | -33.3 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | L93 Y129 Y154 N158 A159 | L93-V156 HydrophobicContact CD1-CG1 4.4Å; L93-V156 HydrophobicContact CD2-CG1 4.29Å; Y129-V156 HydrophobicContact CD1-CG2 3.56Å; Y129-V156 HydrophobicContact CD2-CG2 4.32Å; Y129-V156 HydrophobicContact CE1-CG2 3.89Å; Y129-V156 HydrophobicContact CG-CG2 3.81Å; Y154-V156 VanDerWaalsContact C-N 3.26Å; Y154-V156 HydrophobicContact CD1-CG2 3.99Å; Y154-V156 PolarHBondContact O-N 3.42Å; V156-N158 PolarHBondContact O-N 3.01Å; V156-A159 WeakPolarHBondContact O-CB 3.41Å; V156-A159 PolarHBondContact O-N 2.88Å; V156-A159 VanDerWaalsContact O-N 3.1Å |
| 157 | E | 68.2 | Low | 72.8 | Confident | 157 Ų | 157 | 81.6 Ų | 81.6 | 73% | 0.734 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -64.7 | -16.9 | 178.5 | -66 | 159.5 | -137.6 | 0 | 0 | 113.6 | R153 P155 | R153-E157 IonicContact NH1-OE1 2.73Å; R153-E157 PolarHBondContact NH1-OE1 2.77Å; P155-E157 PolarHBondContact O-N 2.69Å |
| 158 | N | 69.3 | Low | 72.6 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -82.6 | -10.3 | 174.1 | -73.7 | 17.5 | 0 | 0 | 0 | 113.5 | V146 P155 V156 R160 | V146-N158 WeakPolarHBondContact CG2-ND2 3.19Å; P155-N158 HydrophobicContact CB-CB 4.29Å; P155-N158 WeakPolarHBondContact O-CB 3.19Å; P155-N158 PolarHBondContact O-N 2.89Å; V156-N158 PolarHBondContact O-N 3.01Å; N158-R160 PolarHBondContact O-N 2.87Å |
| 159 | A | 68.8 | Low | 72 | Confident | 16 Ų | 16 | 87.4 Ų | 87.4 | 13% | 0.132 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -69.2 | 128 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L93 V156 | L93-A159 HydrophobicContact CB-CB 4.14Å; V156-A159 WeakPolarHBondContact O-CB 3.41Å; V156-A159 PolarHBondContact O-N 2.88Å; V156-A159 VanDerWaalsContact O-N 3.1Å |
| 160 | R | 67.7 | Low | 71.5 | Confident | 155 Ų | 155 | 91.5 Ų | 91.5 | 59% | 0.585 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 122.1 | -176.1 | -72 | 174.3 | 176.9 | -140.2 | -3.1 | 110.6 | G94 V95 D96 N158 | G94-R160 CarbonylContact C-O 3.5Å; G94-R160 WeakPolarHBondContact CA-O 3.46Å; V95-R160 PolarHBondContact N-O 2.82Å; D96-R160 WeakPolarHBondContact OD2-CB 3.39Å; D96-R160 VanDerWaalsContact OD2-CG 3.28Å; D96-R160 WeakPolarHBondContact OD2-CG 3.45Å; D96-R160 PolarHBondContact OD2-N 2.75Å; N158-R160 PolarHBondContact O-N 2.87Å |
| 161 | P | 64.8 | Low | 71 | Confident | 96 Ų | 96 | 89 Ų | 89 | 62% | 0.623 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 158.7 | 171.1 | 29.7 | -34.9 | 0 | 0 | 0 | 109.8 | E163 | P161-E163 PolarHBondContact O-N 2.76Š|
| 162 | P | 61.8 | Low | 70.4 | Confident | 104 Ų | 104 | 81 Ų | 81 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | trans | -65.8 | 99.1 | 168.9 | 27.9 | -32.9 | 0 | 0 | 0 | 110.1 | V95 | V95-P162 HydrophobicContact CG2-CB 4.25Š| ||
| 163 | E | 61.3 | Low | 69.9 | Low | 120 Ų | 120 | 82.9 Ų | 82.9 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | trans | -63.2 | 138.5 | 163.8 | -88.1 | -173.5 | -117.4 | 0 | 0 | 109.3 | P161 R170 | P161-E163 PolarHBondContact O-N 2.76Å; E163-R170 IonicContact OE2-CZ 3.79Å; E163-R170 IonicContact OE2-NH1 2.63Å; E163-R170 PolarHBondContact OE2-NH1 2.92Å; E163-R170 IonicContact OE2-NH2 2.78Å; E163-R170 PolarHBondContact OE2-NH2 3.46Å | ||
| 164 | P | 58.6 | Low | 69.4 | Low | 109 Ų | 109 | 76.6 Ų | 76.6 | 71% | 0.708 | 40% | 0.401 | S | S | * | . | trans | -70.2 | 165.6 | 172.9 | 31.4 | -35.9 | 0 | 0 | 0 | 111.8 | I166 | P164-I166 PolarHBondContact O-N 3.17Š| ||
| 165 | L | 61.1 | Low | 68.9 | Low | 67 Ų | 67 | 76.1 Ų | 76.1 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | trans | -39.6 | 134.9 | 178.4 | -81.5 | 167.6 | 0 | 0 | 0 | 114.1 | S167 L228 L231 Q232 E235 | L165-S167 PolarHBondContact O-N 3.28Å; L165-L228 HydrophobicContact CD2-CD1 4.46Å; L165-L231 HydrophobicContact CD2-CB 4.14Å; L165-Q232 HydrophobicContact CD1-CG 4.09Å; L165-E235 VanDerWaalsContact CD2-CD 3.45Å; L165-E235 HydrophobicContact CD2-CG 4.48Å; L165-E235 WeakPolarHBondContact CD2-OE1 3.49Å; L165-E235 WeakPolarHBondContact CG-OE1 3.33Å; L165-E235 VanDerWaalsContact CG-OE2 3.25Å; L165-E235 WeakPolarHBondContact CG-OE2 3.3Å | ||
| 166 | I | 66.1 | Low | 68.5 | Low | 9 Ų | 9 | 78.5 Ų | 78.5 | 5% | 0.046 | 42% | 0.417 | C | S | . | . | trans | -64.7 | 119.3 | 172.1 | -56.6 | -177 | 0 | 0 | 0 | 108.7 | P164 R170 L171 H191 L192 | P164-I166 PolarHBondContact O-N 3.17Å; I166-R170 HydrophobicContact CG2-CB 3.76Å; I166-R170 HydrophobicContact CG2-CG 3.92Å; I166-L171 HydrophobicContact CG2-CB 3.94Å; I166-L171 HydrophobicContact CG2-CD1 4.39Å; I166-H191 HydrophobicContact CD1-CB 3.96Å; I166-L192 HydrophobicContact CD1-CD2 3.56Å; I166-L192 HydrophobicContact CD1-CG 4.18Å; I166-L192 HydrophobicContact CG1-CD2 4.04Å | ||
| 167 | S | 69.3 | Low | 68.5 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | trans | -61.3 | 153 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | L165 E169 R170 L171 | L165-S167 PolarHBondContact O-N 3.28Å; S167-E169 PolarHBondContact O-N 3.37Å; S167-E169 VanDerWaalsContact O-N 3.08Å; S167-R170 PolarHBondContact O-N 3.04Å; S167-R170 PolarHBondContact OG-N 2.93Å; S167-L171 WeakPolarHBondContact O-CB 3.24Å; S167-L171 PolarHBondContact O-N 3.13Å | ||
| 168 | L | 66.4 | Low | 68.6 | Low | 79 Ų | 79 | 76.8 Ų | 76.8 | 41% | 0.414 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -51.1 | -36.4 | 177.4 | -76 | 169.5 | 0 | 0 | 0 | 112.7 | T172 L228 | L168-T172 VanDerWaalsContact O-CB 3.25Å; L168-T172 WeakPolarHBondContact O-CB 3.31Å; L168-T172 PolarHBondContact O-N 3.5Å; L168-T172 PolarHBondContact O-OG1 2.88Å; L168-L228 HydrophobicContact CD1-CD2 4.39Å; L168-L228 HydrophobicContact CD2-CB 3.95Å; L168-L228 HydrophobicContact CD2-CD2 3.8Å; L168-L228 HydrophobicContact CG-CD2 3.79Å |
| 169 | E | 67.8 | Low | 68.7 | Low | 163 Ų | 163 | 76 Ų | 76 | 76% | 0.762 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.6 | -52.4 | 177.1 | -61.1 | 173.2 | 169.2 | 0 | 0 | 111.6 | S167 L171 T172 E173 | S167-E169 PolarHBondContact O-N 3.37Å; S167-E169 VanDerWaalsContact O-N 3.08Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 3.5Å; E169-T172 PolarHBondContact O-N 3.47Å; E169-E173 WeakPolarHBondContact O-CB 3.03Å; E169-E173 PolarHBondContact O-N 3.31Å |
| 170 | R | 70.8 | Confident | 68.6 | Low | 106 Ų | 106 | 81.6 Ų | 81.6 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -33.4 | 178.4 | -170 | 179.4 | -178.5 | -156.4 | 2.2 | 111.4 | E163 I166 S167 E173 V174 | E163-R170 IonicContact OE2-CZ 3.79Å; E163-R170 IonicContact OE2-NH1 2.63Å; E163-R170 PolarHBondContact OE2-NH1 2.92Å; E163-R170 IonicContact OE2-NH2 2.78Å; E163-R170 PolarHBondContact OE2-NH2 3.46Å; I166-R170 HydrophobicContact CG2-CB 3.76Å; I166-R170 HydrophobicContact CG2-CG 3.92Å; S167-R170 PolarHBondContact O-N 3.04Å; S167-R170 PolarHBondContact OG-N 2.93Å; R170-E173 PolarHBondContact O-N 2.97Å; R170-V174 WeakPolarHBondContact O-CB 3.43Å; R170-V174 VanDerWaalsContact O-CG2 3.31Å; R170-V174 WeakPolarHBondContact O-CG2 3.48Å; R170-V174 PolarHBondContact O-N 3.14Å |
| 171 | L | 72.8 | Confident | 68.5 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 173.7 | -170.8 | 75.6 | 0 | 0 | 0 | 111.3 | I166 S167 E169 E173 V174 L175 L188 A224 I227 L231 | I166-L171 HydrophobicContact CG2-CB 3.94Å; I166-L171 HydrophobicContact CG2-CD1 4.39Å; S167-L171 WeakPolarHBondContact O-CB 3.24Å; S167-L171 PolarHBondContact O-N 3.13Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 3.5Å; L171-E173 VanDerWaalsContact C-N 3.31Å; L171-E173 PolarHBondContact O-N 3.05Å; L171-V174 PolarHBondContact O-N 2.68Å; L171-L175 HydrophobicContact CG-CD1 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.16Å; L171-L188 HydrophobicContact CD1-CD2 3.8Å; L171-A224 HydrophobicContact CD2-CB 4.27Å; L171-A224 WeakPolarHBondContact CD2-O 3.32Å; L171-I227 HydrophobicContact CD1-CG2 4.09Å; L171-I227 HydrophobicContact CD2-CB 4.14Å; L171-I227 HydrophobicContact CD2-CG2 3.88Å; L171-I227 HydrophobicContact CG-CG2 4.48Å; L171-L231 HydrophobicContact CD1-CD1 4.27Å |
| 172 | T | 71 | Confident | 69 | Low | 57 Ų | 57 | 73.7 Ų | 73.7 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | L168 E169 S176 T220 | L168-T172 VanDerWaalsContact O-CB 3.25Å; L168-T172 WeakPolarHBondContact O-CB 3.31Å; L168-T172 PolarHBondContact O-N 3.5Å; L168-T172 PolarHBondContact O-OG1 2.88Å; E169-T172 PolarHBondContact O-N 3.47Å; T172-S176 VanDerWaalsContact O-CB 3.32Å; T172-S176 WeakPolarHBondContact O-CB 3.49Å; T172-S176 PolarHBondContact O-N 3.08Å; T172-S176 PolarHBondContact O-OG 2.94Å; T172-T220 HydrophobicContact CG2-CG2 4.01Å |
| 173 | E | 75.1 | Confident | 69.7 | Low | 97 Ų | 97 | 71.7 Ų | 71.7 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.4 | -154.7 | -156.7 | -164.2 | 0 | 0 | 112.2 | E169 R170 L171 S176 K177 | E169-E173 WeakPolarHBondContact O-CB 3.03Å; E169-E173 PolarHBondContact O-N 3.31Å; R170-E173 PolarHBondContact O-N 2.97Å; L171-E173 VanDerWaalsContact C-N 3.31Å; L171-E173 PolarHBondContact O-N 3.05Å; E173-S176 WeakPolarHBondContact CA-OG 3.16Å; E173-S176 PolarHBondContact O-N 3.41Å; E173-S176 PolarHBondContact O-OG 3.45Å; E173-K177 HydrophobicContact CG-CD 4.3Å; E173-K177 WeakPolarHBondContact O-CB 3.24Å; E173-K177 VanDerWaalsContact O-CG 3.26Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.17Å; E173-K177 WeakPolarHBondContact OE1-CE 3Å; E173-K177 IonicContact OE1-NZ 2.84Å; E173-K177 PolarHBondContact OE1-NZ 3.17Å; E173-K177 IonicContact OE2-NZ 3.59Å; E173-K177 PolarHBondContact OE2-NZ 3.01Å |
| 174 | V | 75.6 | Confident | 70.3 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.7 | 166 | 0 | 0 | 0 | 0 | 111.6 | R170 L171 A178 I187 | R170-V174 WeakPolarHBondContact O-CB 3.43Å; R170-V174 VanDerWaalsContact O-CG2 3.31Å; R170-V174 WeakPolarHBondContact O-CG2 3.48Å; R170-V174 PolarHBondContact O-N 3.14Å; L171-V174 PolarHBondContact O-N 2.68Å; V174-A178 PolarHBondContact O-N 2.95Å; V174-I187 HydrophobicContact CG1-CG2 3.78Å |
| 175 | L | 74 | Confident | 71 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 178.2 | -71.4 | 169.4 | 0 | 0 | 0 | 112.7 | L171 A178 V184 F218 T220 A224 I227 | L171-L175 HydrophobicContact CG-CD1 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.16Å; L175-A178 WeakPolarHBondContact O-CB 3.31Å; L175-A178 PolarHBondContact O-N 3.34Å; L175-V184 HydrophobicContact CD2-CG1 4.45Å; L175-F218 HydrophobicContact CD1-CE1 4.3Å; L175-F218 HydrophobicContact CD1-CZ 4.15Å; L175-F218 HydrophobicContact CD2-CE1 4.35Å; L175-F218 HydrophobicContact CD2-CZ 4.23Å; L175-T220 HydrophobicContact CB-CG2 4.23Å; L175-T220 HydrophobicContact CD1-CG2 4.42Å; L175-A224 HydrophobicContact CD1-CB 4.3Å; L175-I227 HydrophobicContact CD1-CD1 4.1Å |
| 176 | S | 71.4 | Confident | 71.5 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -77.6 | -22.5 | 178 | 54.8 | 0 | 0 | 0 | 0 | 114 | T172 E173 A178 | T172-S176 VanDerWaalsContact O-CB 3.32Å; T172-S176 WeakPolarHBondContact O-CB 3.49Å; T172-S176 PolarHBondContact O-N 3.08Å; T172-S176 PolarHBondContact O-OG 2.94Å; E173-S176 WeakPolarHBondContact CA-OG 3.16Å; E173-S176 PolarHBondContact O-N 3.41Å; E173-S176 PolarHBondContact O-OG 3.45Å; S176-A178 VanDerWaalsContact C-N 3.34Å |
| 177 | K | 76.3 | Confident | 72 | Confident | 141 Ų | 141 | 66.9 Ų | 66.9 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.7 | 169.6 | -73 | 170.7 | -178.3 | 170.3 | 0 | 113.9 | E173 | E173-K177 HydrophobicContact CG-CD 4.3Å; E173-K177 WeakPolarHBondContact O-CB 3.24Å; E173-K177 VanDerWaalsContact O-CG 3.26Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.17Å; E173-K177 WeakPolarHBondContact OE1-CE 3Å; E173-K177 IonicContact OE1-NZ 2.84Å; E173-K177 PolarHBondContact OE1-NZ 3.17Å; E173-K177 IonicContact OE2-NZ 3.59Å; E173-K177 PolarHBondContact OE2-NZ 3.01Å |
| 178 | A | 72 | Confident | 72.2 | Confident | 24 Ų | 24 | 64 Ų | 64 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -71.5 | 153.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V174 L175 S176 I187 | V174-A178 PolarHBondContact O-N 2.95Å; L175-A178 WeakPolarHBondContact O-CB 3.31Å; L175-A178 PolarHBondContact O-N 3.34Å; S176-A178 VanDerWaalsContact C-N 3.34Å; A178-I187 HydrophobicContact CB-CD1 3.5Å; A178-I187 VanDerWaalsContact CB-CD1 3.5Å; A178-I187 HydrophobicContact CB-CG1 3.89Å; A178-I187 HydrophobicContact CB-CG2 4.03Å |
| 179 | T | 70.9 | Confident | 72.7 | Confident | 86 Ų | 86 | 63.6 Ų | 63.6 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 135.2 | 179.2 | 76 | 0 | 0 | 0 | 0 | 112.4 | G181 E182 | T179-G181 PolarHBondContact O-N 3.07Å; T179-E182 WeakPolarHBondContact O-CB 3.3Å; T179-E182 PolarHBondContact O-N 3.2Å; T179-E182 VanDerWaalsContact OG1-CD 3.24Å; T179-E182 WeakPolarHBondContact OG1-CG 3.26Å; T179-E182 PolarHBondContact OG1-OE2 2.73Å |
| 180 | N | 65.6 | Low | 72.9 | Confident | 135 Ų | 135 | 59.5 Ų | 59.5 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 118 | -171.9 | -166.1 | -47.1 | 0 | 0 | 0 | 111.2 | V214 | N180-V214 CarbonylContact C-O 3.56Å; N180-V214 WeakPolarHBondContact CA-O 3.36Å; N180-V214 PolarHBondContact OD1-O 2.88Å |
| 181 | G | 66.6 | Low | 72.9 | Confident | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | -5.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T179 V214 | T179-G181 PolarHBondContact O-N 3.07Å; G181-V214 PolarHBondContact N-O 2.59Å |
| 182 | E | 73.8 | Confident | 72.9 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | trans | -75.9 | 151.8 | 171.8 | -76.9 | -169.8 | 110.4 | 0 | 0 | 112.9 | T179 R186 I187 K213 V214 | T179-E182 WeakPolarHBondContact O-CB 3.3Å; T179-E182 PolarHBondContact O-N 3.2Å; T179-E182 VanDerWaalsContact OG1-CD 3.24Å; T179-E182 WeakPolarHBondContact OG1-CG 3.26Å; T179-E182 PolarHBondContact OG1-OE2 2.73Å; E182-R186 IonicContact OE1-CZ 2.63Å; E182-R186 IonicContact OE1-NE 2.74Å; E182-R186 PolarHBondContact OE1-NE 3.24Å; E182-R186 IonicContact OE1-NH2 3.76Å; E182-R186 PolarHBondContact OE1-NH2 3.15Å; E182-I187 HydrophobicContact CB-CD1 4.02Å; E182-I187 HydrophobicContact CB-CG1 4.22Å; E182-K213 CarbonylContact O-C 3.55Å; E182-K213 VanDerWaalsContact O-CA 3.23Å; E182-K213 WeakPolarHBondContact O-CA 3.44Å; E182-V214 PolarHBondContact O-N 3.39Å | ||
| 183 | Q | 77.1 | Confident | 72.8 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -80.9 | 135.5 | -178.9 | -70.7 | 175.6 | -13.1 | 0 | 0 | 111.7 | K185 R186 I187 I212 K213 | Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 HydrophobicContact CB-CG 4.35Å; Q183-K185 PolarHBondContact O-N 2.83Å; Q183-R186 HydrophobicContact CB-CB 4.46Å; Q183-R186 WeakPolarHBondContact O-CA 3.17Å; Q183-R186 WeakPolarHBondContact O-CB 3.47Å; Q183-R186 PolarHBondContact O-N 2.86Å; Q183-I187 PolarHBondContact O-N 3.33Å; Q183-I187 VanDerWaalsContact O-N 3.15Å; Q183-I212 WeakPolarHBondContact CA-O 3.4Å; Q183-K213 HydrophobicContact CG-CG 4.25Å |
| 184 | V | 74.4 | Confident | 72.5 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.8 | -44.9 | -178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | L175 R186 I187 L188 I212 V214 F218 I227 | L175-V184 HydrophobicContact CD2-CG1 4.45Å; V184-R186 VanDerWaalsContact C-N 3.26Å; V184-R186 PolarHBondContact O-N 3.11Å; V184-I187 PolarHBondContact O-N 2.85Å; V184-L188 HydrophobicContact CG1-CD1 3.67Å; V184-L188 HydrophobicContact CG1-CG 4.16Å; V184-L188 WeakPolarHBondContact O-CG 3.23Å; V184-L188 PolarHBondContact O-N 3.46Å; V184-I212 HydrophobicContact CG2-CB 4.32Å; V184-I212 HydrophobicContact CG2-CG2 3.68Å; V184-I212 PolarHBondContact N-O 2.93Å; V184-I212 VanDerWaalsContact N-O 3.15Å; V184-V214 HydrophobicContact CG2-CG2 3.91Å; V184-F218 HydrophobicContact CG2-CE2 4.2Å; V184-F218 HydrophobicContact CG2-CZ 4.45Å; V184-I227 HydrophobicContact CG1-CD1 4.17Å |
| 185 | K | 73.3 | Confident | 72.4 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -31.3 | 176.2 | 65 | -170 | 173.5 | -162.4 | 0 | 114.4 | Q183 N189 I199 E200 G210 | Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 HydrophobicContact CB-CG 4.35Å; Q183-K185 PolarHBondContact O-N 2.83Å; K185-N189 VanDerWaalsContact O-CB 3.25Å; K185-N189 WeakPolarHBondContact O-CB 3.46Å; K185-N189 PolarHBondContact O-N 2.78Å; K185-N189 VanDerWaalsContact O-N 3.13Å; K185-I199 HydrophobicContact CB-CG2 4.11Å; K185-E200 HydrophobicContact CD-CB 4.22Å; K185-E200 HydrophobicContact CD-CG 4.42Å; K185-E200 IonicContact NZ-OE1 3.52Å; K185-E200 PolarHBondContact NZ-OE1 2.69Å; K185-E200 IonicContact NZ-OE2 3.1Å; K185-E200 PolarHBondContact NZ-OE2 3.15Å; K185-G210 WeakPolarHBondContact CE-O 3.34Å; K185-G210 PolarHBondContact NZ-O 2.73Å |
| 186 | R | 72.4 | Confident | 72.6 | Confident | 164 Ų | 164 | 56.4 Ų | 56.4 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79.4 | -29.9 | 176.3 | 170.4 | 175 | 147.4 | 126.9 | -2.5 | 112.5 | E182 Q183 V184 P190 | E182-R186 IonicContact OE1-CZ 2.63Å; E182-R186 IonicContact OE1-NE 2.74Å; E182-R186 PolarHBondContact OE1-NE 3.24Å; E182-R186 IonicContact OE1-NH2 3.76Å; E182-R186 PolarHBondContact OE1-NH2 3.15Å; Q183-R186 HydrophobicContact CB-CB 4.46Å; Q183-R186 WeakPolarHBondContact O-CA 3.17Å; Q183-R186 WeakPolarHBondContact O-CB 3.47Å; Q183-R186 PolarHBondContact O-N 2.86Å; V184-R186 VanDerWaalsContact C-N 3.26Å; V184-R186 PolarHBondContact O-N 3.11Å; R186-P190 VanDerWaalsContact O-CD 3.3Å; R186-P190 WeakPolarHBondContact O-CD 3.34Å |
| 187 | I | 74.8 | Confident | 73.1 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 174.9 | -64.8 | 154.1 | 0 | 0 | 0 | 110.5 | V174 A178 E182 Q183 V184 P190 V214 | V174-I187 HydrophobicContact CG1-CG2 3.78Å; A178-I187 HydrophobicContact CB-CD1 3.5Å; A178-I187 VanDerWaalsContact CB-CD1 3.5Å; A178-I187 HydrophobicContact CB-CG1 3.89Å; A178-I187 HydrophobicContact CB-CG2 4.03Å; E182-I187 HydrophobicContact CB-CD1 4.02Å; E182-I187 HydrophobicContact CB-CG1 4.22Å; Q183-I187 PolarHBondContact O-N 3.33Å; Q183-I187 VanDerWaalsContact O-N 3.15Å; V184-I187 PolarHBondContact O-N 2.85Å; I187-P190 WeakPolarHBondContact O-CD 3.28Å; I187-V214 HydrophobicContact CD1-CB 4.46Å; I187-V214 HydrophobicContact CD1-CG2 3.58Å |
| 188 | L | 74.8 | Confident | 73.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -83.2 | -32.6 | -178.2 | -64.4 | 177.6 | 0 | 0 | 0 | 114.2 | L171 V184 P190 H191 L192 I199 I227 | L171-L188 HydrophobicContact CD1-CD2 3.8Å; V184-L188 HydrophobicContact CG1-CD1 3.67Å; V184-L188 HydrophobicContact CG1-CG 4.16Å; V184-L188 WeakPolarHBondContact O-CG 3.23Å; V184-L188 PolarHBondContact O-N 3.46Å; L188-P190 VanDerWaalsContact C-N 3.35Å; L188-H191 CarbonylContact O-C 3.52Å; L188-H191 PolarHBondContact O-N 2.86Å; L188-L192 HydrophobicContact CB-CD1 3.85Å; L188-L192 HydrophobicContact CD1-CD1 4.46Å; L188-L192 PolarHBondContact O-N 2.63Å; L188-I199 HydrophobicContact CB-CD1 4.32Å; L188-I199 HydrophobicContact CD1-CG2 4.23Å; L188-I227 HydrophobicContact CD1-CG2 3.98Å |
| 189 | N | 75.9 | Confident | 73.7 | Confident | 70 Ų | 70 | 45.6 Ų | 45.6 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.5 | -176.4 | -169.6 | 111.9 | 0 | 0 | 0 | 116.2 | K185 H191 G195 A196 | K185-N189 VanDerWaalsContact O-CB 3.25Å; K185-N189 WeakPolarHBondContact O-CB 3.46Å; K185-N189 PolarHBondContact O-N 2.78Å; K185-N189 VanDerWaalsContact O-N 3.13Å; N189-H191 VanDerWaalsContact C-N 3.34Å; N189-G195 WeakPolarHBondContact OD1-CA 3.29Å; N189-A196 PolarHBondContact OD1-N 2.98Å |
| 190 | P | 73.6 | Confident | 74.2 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -26.5 | 170.7 | -21.2 | 34.6 | 0 | 0 | 0 | 114 | R186 I187 L188 | R186-P190 VanDerWaalsContact O-CD 3.3Å; R186-P190 WeakPolarHBondContact O-CD 3.34Å; I187-P190 WeakPolarHBondContact O-CD 3.28Å; L188-P190 VanDerWaalsContact C-N 3.35Å |
| 191 | H | 69.4 | Low | 75.1 | Confident | 94 Ų | 94 | 36.4 Ų | 36.4 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9.5 | -174.4 | -64.3 | -68.4 | 0 | 0 | 0 | 113.7 | I166 L188 N189 | I166-H191 HydrophobicContact CD1-CB 3.96Å; L188-H191 CarbonylContact O-C 3.52Å; L188-H191 PolarHBondContact O-N 2.86Å; N189-H191 VanDerWaalsContact C-N 3.34Å |
| 192 | L | 73.3 | Confident | 75.8 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | trans | -128.5 | 136.9 | -176.4 | -63.3 | 177.6 | 0 | 0 | 0 | 112 | I166 L188 Y194 I199 L231 | I166-L192 HydrophobicContact CD1-CD2 3.56Å; I166-L192 HydrophobicContact CD1-CG 4.18Å; I166-L192 HydrophobicContact CG1-CD2 4.04Å; L188-L192 HydrophobicContact CB-CD1 3.85Å; L188-L192 HydrophobicContact CD1-CD1 4.46Å; L188-L192 PolarHBondContact O-N 2.63Å; L192-Y194 VanDerWaalsContact C-N 3.25Å; L192-Y194 HydrophobicContact CB-CD2 4.03Å; L192-Y194 HydrophobicContact CD1-CD2 4.32Å; L192-Y194 HydrophobicContact CD2-CD2 4.22Å; L192-Y194 HydrophobicContact CD2-CE2 4.09Å; L192-Y194 HydrophobicContact CG-CD2 4.45Å; L192-Y194 PolarHBondContact O-N 2.99Å; L192-I199 HydrophobicContact CB-CD1 4.3Å; L192-I199 HydrophobicContact CD1-CD1 3.98Å; L192-I199 HydrophobicContact CD1-CG1 4.3Å; L192-L231 HydrophobicContact CD1-CD1 4.01Å; L192-L231 HydrophobicContact CD1-CD2 3.38Å; L192-L231 HydrophobicContact CD1-CG 4.35Å; L192-L231 HydrophobicContact CD2-CD1 4.14Å | ||
| 193 | P | 68.8 | Low | 76.3 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 25% | 0.253 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.1 | 178.4 | 32.2 | -34.9 | 0 | 0 | 0 | 113.6 | T7 V95 G195 | T7-P193 WeakPolarHBondContact CB-O 3.26Å; T7-P193 PolarHBondContact OG1-O 3.41Å; V95-P193 HydrophobicContact CB-CB 3.81Å; V95-P193 HydrophobicContact CB-CG 4.42Å; V95-P193 HydrophobicContact CG1-CB 3.48Å; V95-P193 VanDerWaalsContact CG1-CB 3.48Å; V95-P193 HydrophobicContact CG1-CG 3.86Å; V95-P193 HydrophobicContact CG2-CB 4.48Å; P193-G195 VanDerWaalsContact C-N 3.29Å; P193-G195 PolarHBondContact O-N 3.37Å |
| 194 | Y | 69.6 | Low | 76.5 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23 | -170.6 | -53 | -42.2 | 0 | 0 | 0 | 114.5 | L192 A234 E235 M238 | L192-Y194 VanDerWaalsContact C-N 3.25Å; L192-Y194 HydrophobicContact CB-CD2 4.03Å; L192-Y194 HydrophobicContact CD1-CD2 4.32Å; L192-Y194 HydrophobicContact CD2-CD2 4.22Å; L192-Y194 HydrophobicContact CD2-CE2 4.09Å; L192-Y194 HydrophobicContact CG-CD2 4.45Å; L192-Y194 PolarHBondContact O-N 2.99Å; Y194-A234 HydrophobicContact CD2-CB 4.15Å; Y194-A234 HydrophobicContact CG-CB 4.24Å; Y194-E235 HydrophobicContact CE1-CG 4.12Å; Y194-E235 HydrophobicContact CE2-CG 4.03Å; Y194-E235 VanDerWaalsContact CZ-CG 3.49Å; Y194-E235 VanDerWaalsContact OH-CD 3.26Å; Y194-E235 WeakPolarHBondContact OH-CG 3.48Å; Y194-E235 PolarHBondContact OH-OE1 2.66Å; Y194-M238 HydrophobicContact CD1-CE 3.84Å; Y194-M238 HydrophobicContact CD1-CG 3.54Å; Y194-M238 HydrophobicContact CD1-SD 4.09Å; Y194-M238 HydrophobicContact CE1-CB 4.46Å; Y194-M238 HydrophobicContact CE1-CE 4Å; Y194-M238 HydrophobicContact CE1-CG 3.78Å |
| 195 | G | 73.4 | Confident | 76.8 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | 74.4 | 153.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N189 P193 T197 L198 I199 | N189-G195 WeakPolarHBondContact OD1-CA 3.29Å; P193-G195 VanDerWaalsContact C-N 3.29Å; P193-G195 PolarHBondContact O-N 3.37Å; G195-T197 VanDerWaalsContact C-N 3.26Å; G195-T197 PolarHBondContact O-N 2.93Å; G195-T197 VanDerWaalsContact O-N 3.08Å; G195-L198 PolarHBondContact O-N 2.92Å; G195-I199 WeakPolarHBondContact O-CG1 3.25Å; G195-I199 PolarHBondContact O-N 3.11Å |
| 196 | A | 77.8 | Confident | 77.2 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55 | -33.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N189 E200 | N189-A196 PolarHBondContact OD1-N 2.98Å; A196-E200 VanDerWaalsContact O-CB 3.25Å; A196-E200 WeakPolarHBondContact O-CB 3.33Å; A196-E200 PolarHBondContact O-N 2.9Å |
| 197 | T | 80.5 | Confident | 77.2 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -37.8 | -177.2 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | N6 G195 H201 | N6-T197 PolarHBondContact ND2-OG1 3.22Å; G195-T197 VanDerWaalsContact C-N 3.26Å; G195-T197 PolarHBondContact O-N 2.93Å; G195-T197 VanDerWaalsContact O-N 3.08Å; T197-H201 PolarHBondContact O-N 3.26Å |
| 198 | L | 81.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.9 | -33.5 | 176.8 | -175.3 | 60.1 | 0 | 0 | 0 | 111.2 | V8 G195 H201 C202 A234 Y237 M238 F279 | V8-L198 HydrophobicContact CG2-CB 4.23Å; V8-L198 HydrophobicContact CG2-CD2 3.85Å; G195-L198 PolarHBondContact O-N 2.92Å; L198-H201 HydrophobicContact CD1-CB 4.47Å; L198-H201 WeakPolarHBondContact O-CB 3.41Å; L198-H201 PolarHBondContact O-N 2.93Å; L198-C202 PolarHBondContact O-N 3.48Å; L198-C202 VanDerWaalsContact O-N 3.1Å; L198-C202 PolarHBondContact O-SG 3Å; L198-A234 HydrophobicContact CD2-CB 4.26Å; L198-A234 HydrophobicContact CG-CB 4.17Å; L198-Y237 HydrophobicContact CD1-CD2 4.26Å; L198-Y237 HydrophobicContact CD1-CG 4.16Å; L198-M238 HydrophobicContact CD2-CG 3.99Å; L198-M238 HydrophobicContact CD2-SD 4.34Å; L198-F279 HydrophobicContact CD1-CE1 3.87Å; L198-F279 HydrophobicContact CD1-CZ 4.44Å |
| 199 | I | 81 | Confident | 77.1 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 171.3 | -63.1 | 165.7 | 0 | 0 | 0 | 110.1 | K185 L188 L192 G195 H201 C202 L203 | K185-I199 HydrophobicContact CB-CG2 4.11Å; L188-I199 HydrophobicContact CB-CD1 4.32Å; L188-I199 HydrophobicContact CD1-CG2 4.23Å; L192-I199 HydrophobicContact CB-CD1 4.3Å; L192-I199 HydrophobicContact CD1-CD1 3.98Å; L192-I199 HydrophobicContact CD1-CG1 4.3Å; G195-I199 WeakPolarHBondContact O-CG1 3.25Å; G195-I199 PolarHBondContact O-N 3.11Å; I199-H201 VanDerWaalsContact C-N 3.33Å; I199-H201 PolarHBondContact O-N 3.26Å; I199-C202 PolarHBondContact O-N 2.77Å; I199-L203 HydrophobicContact CG2-CD1 4.02Å; I199-L203 VanDerWaalsContact O-CG 3.23Å; I199-L203 WeakPolarHBondContact O-CG 3.25Å; I199-L203 PolarHBondContact O-N 3.47Å; I199-L203 VanDerWaalsContact O-N 3.13Å |
| 200 | E | 81.5 | Confident | 76.5 | Confident | 24 Ų | 24 | 33.9 Ų | 33.9 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 177.3 | -173.5 | 165.8 | -164.5 | 0 | 0 | 112.8 | K185 A196 M204 F211 Q281 | K185-E200 HydrophobicContact CD-CB 4.22Å; K185-E200 HydrophobicContact CD-CG 4.42Å; K185-E200 IonicContact NZ-OE1 3.52Å; K185-E200 PolarHBondContact NZ-OE1 2.69Å; K185-E200 IonicContact NZ-OE2 3.1Å; K185-E200 PolarHBondContact NZ-OE2 3.15Å; A196-E200 VanDerWaalsContact O-CB 3.25Å; A196-E200 WeakPolarHBondContact O-CB 3.33Å; A196-E200 PolarHBondContact O-N 2.9Å; E200-M204 WeakPolarHBondContact O-CG 2.81Å; E200-M204 PolarHBondContact O-N 2.86Å; E200-F211 WeakPolarHBondContact OE1-CE2 3.13Å; E200-F211 WeakPolarHBondContact OE1-CZ 3.38Å; E200-Q281 VanDerWaalsContact CG-OE1 3.24Å |
| 201 | H | 82.9 | Confident | 76.1 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.7 | -58.7 | 172.1 | -174.5 | -112.1 | 0 | 0 | 0 | 112.7 | T197 L198 I199 L203 M204 E205 Y237 F279 A280 | T197-H201 PolarHBondContact O-N 3.26Å; L198-H201 HydrophobicContact CD1-CB 4.47Å; L198-H201 WeakPolarHBondContact O-CB 3.41Å; L198-H201 PolarHBondContact O-N 2.93Å; I199-H201 VanDerWaalsContact C-N 3.33Å; I199-H201 PolarHBondContact O-N 3.26Å; H201-L203 VanDerWaalsContact C-N 3.3Å; H201-L203 PolarHBondContact O-N 3.16Å; H201-M204 WeakPolarHBondContact O-CB 3.44Å; H201-M204 PolarHBondContact O-N 2.99Å; H201-E205 IonicContact CE1-OE1 3.91Å; H201-E205 PolarHBondContact CE1-OE1 2.77Å; H201-E205 IonicContact CE1-OE2 2.67Å; H201-E205 PolarHBondContact CE1-OE2 3.26Å; H201-E205 IonicContact ND1-OE2 3.59Å; H201-E205 PolarHBondContact ND1-OE2 2.9Å; H201-E205 VanDerWaalsContact ND1-OE2 3.13Å; H201-E205 IonicContact NE2-OE1 3.93Å; H201-E205 IonicContact NE2-OE2 2.64Å; H201-E205 PolarHBondContact O-N 3.14Å; H201-Y237 AromaticContact CE1-CE2 3.89Å; H201-Y237 AromaticContact CE1-CZ 3.82Å; H201-Y237 AromaticContact ND1-CE2 3.87Å; H201-F279 HydrophobicContact CB-CB 4.39Å; H201-F279 HydrophobicContact CB-CD1 3.85Å; H201-F279 HydrophobicContact CB-CE1 4.44Å; H201-F279 HydrophobicContact CB-CG 4.24Å; H201-F279 WeakPolarHBondContact CD2-CA 3.37Å; H201-F279 VanDerWaalsContact CD2-CB 3.44Å; H201-F279 WeakPolarHBondContact CD2-CB 3.5Å; H201-F279 AromaticContact CD2-CD1 3.66Å; H201-F279 AromaticContact CD2-CG 3.96Å; H201-F279 AromaticContact CG-CD1 3.53Å; H201-F279 AromaticContact ND1-CD1 3.97Å; H201-F279 WeakPolarHBondContact NE2-CA 3.35Å; H201-A280 PolarHBondContact CD2-N 3.32Å; H201-A280 PolarHBondContact NE2-N 3.41Å |
| 202 | C | 82.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.3 | -29.8 | -170.8 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | L198 I199 M204 E205 V206 A230 M233 | L198-C202 PolarHBondContact O-N 3.48Å; L198-C202 VanDerWaalsContact O-N 3.1Å; L198-C202 PolarHBondContact O-SG 3Å; I199-C202 PolarHBondContact O-N 2.77Å; C202-M204 VanDerWaalsContact C-N 3.34Å; C202-E205 PolarHBondContact O-N 2.74Å; C202-V206 WeakPolarHBondContact O-CG2 3.47Å; C202-V206 PolarHBondContact O-N 3.09Å; C202-V206 VanDerWaalsContact O-N 3.14Å; C202-A230 HydrophobicContact CB-CB 3.88Å; C202-A230 WeakPolarHBondContact CB-O 3.48Å; C202-M233 HydrophobicContact CB-CB 4.29Å |
| 203 | L | 82.3 | Confident | 76.2 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 168.5 | -72.1 | 170.4 | 0 | 0 | 0 | 111.4 | I199 H201 V206 G207 L208 I227 A230 | I199-L203 HydrophobicContact CG2-CD1 4.02Å; I199-L203 VanDerWaalsContact O-CG 3.23Å; I199-L203 WeakPolarHBondContact O-CG 3.25Å; I199-L203 PolarHBondContact O-N 3.47Å; I199-L203 VanDerWaalsContact O-N 3.13Å; H201-L203 VanDerWaalsContact C-N 3.3Å; H201-L203 PolarHBondContact O-N 3.16Å; L203-V206 PolarHBondContact O-N 2.84Å; L203-G207 PolarHBondContact O-N 3.14Å; L203-L208 CarbonylContact C-O 3.49Å; L203-L208 VanDerWaalsContact C-O 3.27Å; L203-L208 HydrophobicContact CB-CB 4.38Å; L203-L208 HydrophobicContact CD2-CB 4.45Å; L203-L208 HydrophobicContact CD2-CD1 4Å; L203-L208 WeakPolarHBondContact O-CA 3.35Å; L203-L208 WeakPolarHBondContact O-CB 3.32Å; L203-L208 PolarHBondContact O-N 2.85Å; L203-L208 VanDerWaalsContact O-O 3.05Å; L203-I227 HydrophobicContact CD2-CG1 3.92Å; L203-A230 HydrophobicContact CD2-CB 4.45Å |
| 204 | M | 81.5 | Confident | 76 | Confident | 75 Ų | 75 | 36.8 Ų | 36.8 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.4 | -36.2 | -179.6 | -67.4 | -102.9 | -72.7 | 0 | 0 | 112.5 | E200 H201 C202 G207 L208 G210 Q281 | E200-M204 WeakPolarHBondContact O-CG 2.81Å; E200-M204 PolarHBondContact O-N 2.86Å; H201-M204 WeakPolarHBondContact O-CB 3.44Å; H201-M204 PolarHBondContact O-N 2.99Å; C202-M204 VanDerWaalsContact C-N 3.34Å; M204-G207 PolarHBondContact O-N 3.14Å; M204-G207 VanDerWaalsContact O-N 3.09Å; M204-L208 WeakPolarHBondContact CA-O 3.37Å; M204-L208 PolarHBondContact N-O 2.97Å; M204-G210 PolarHBondContact SD-N 2.71Å; M204-G210 VanDerWaalsContact SD-N 3.43Å; M204-Q281 HydrophobicContact CE-CB 3.99Å |
| 205 | E | 80.5 | Confident | 75.7 | Confident | 77 Ų | 77 | 38.6 Ų | 38.6 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 174.2 | -68.9 | -174.4 | 117.2 | 0 | 0 | 112.6 | H201 C202 G207 M233 Y237 A280 | H201-E205 IonicContact CE1-OE1 3.91Å; H201-E205 PolarHBondContact CE1-OE1 2.77Å; H201-E205 IonicContact CE1-OE2 2.67Å; H201-E205 PolarHBondContact CE1-OE2 3.26Å; H201-E205 IonicContact ND1-OE2 3.59Å; H201-E205 PolarHBondContact ND1-OE2 2.9Å; H201-E205 VanDerWaalsContact ND1-OE2 3.13Å; H201-E205 IonicContact NE2-OE1 3.93Å; H201-E205 IonicContact NE2-OE2 2.64Å; H201-E205 PolarHBondContact O-N 3.14Å; C202-E205 PolarHBondContact O-N 2.74Å; E205-G207 PolarHBondContact O-N 3.1Å; E205-M233 HydrophobicContact CB-CE 3.94Å; E205-M233 HydrophobicContact CG-CE 4.46Å; E205-M233 WeakPolarHBondContact OE2-CE 3.4Å; E205-Y237 PolarHBondContact OE1-OH 2.7Å; E205-A280 HydrophobicContact CG-CB 4.48Å |
| 206 | V | 82.3 | Confident | 74.8 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 9 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | C202 L203 L208 K226 A230 M233 | C202-V206 WeakPolarHBondContact O-CG2 3.47Å; C202-V206 PolarHBondContact O-N 3.09Å; C202-V206 VanDerWaalsContact O-N 3.14Å; L203-V206 PolarHBondContact O-N 2.84Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.42Å; V206-K226 HydrophobicContact CG1-CB 3.73Å; V206-K226 HydrophobicContact CG1-CG 4.19Å; V206-A230 HydrophobicContact CG2-CB 3.95Å; V206-M233 HydrophobicContact CG2-SD 3.9Å |
| 207 | G | 72.6 | Confident | 73.7 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 66% | 0.66 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 15.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L203 M204 E205 | L203-G207 PolarHBondContact O-N 3.14Å; M204-G207 PolarHBondContact O-N 3.14Å; M204-G207 VanDerWaalsContact O-N 3.09Å; E205-G207 PolarHBondContact O-N 3.1Å |
| 208 | L | 76.3 | Confident | 72.9 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | trans | -95.9 | 129.7 | 175.7 | -72.6 | -179.5 | 0 | 0 | 0 | 110.3 | L203 M204 V206 G210 I212 K226 I227 | L203-L208 CarbonylContact C-O 3.49Å; L203-L208 VanDerWaalsContact C-O 3.27Å; L203-L208 HydrophobicContact CB-CB 4.38Å; L203-L208 HydrophobicContact CD2-CB 4.45Å; L203-L208 HydrophobicContact CD2-CD1 4Å; L203-L208 WeakPolarHBondContact O-CA 3.35Å; L203-L208 WeakPolarHBondContact O-CB 3.32Å; L203-L208 PolarHBondContact O-N 2.85Å; L203-L208 VanDerWaalsContact O-O 3.05Å; M204-L208 WeakPolarHBondContact CA-O 3.37Å; M204-L208 PolarHBondContact N-O 2.97Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.42Å; L208-G210 PolarHBondContact O-N 3.35Å; L208-I212 HydrophobicContact CB-CD1 3.64Å; L208-I212 HydrophobicContact CD1-CD1 4.38Å; L208-I212 HydrophobicContact CD2-CD1 3.93Å; L208-I212 HydrophobicContact CG-CD1 4.19Å; L208-K226 HydrophobicContact CD1-CB 3.89Å; L208-K226 HydrophobicContact CD1-CD 4.17Å; L208-K226 HydrophobicContact CD2-CD 4.05Å; L208-K226 HydrophobicContact CG-CD 4.17Å; L208-I227 HydrophobicContact CD1-CG1 4.15Å | ||
| 209 | P | 72 | Confident | 72.2 | Confident | 87 Ų | 87 | 54 Ų | 54 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | trans | -58.3 | 128.9 | 179.8 | -27.3 | 34.4 | 0 | 0 | 0 | 113.3 | F211 I212 | P209-F211 PolarHBondContact O-N 3.02Å; P209-I212 HydrophobicContact CB-CG1 4.27Å; P209-I212 VanDerWaalsContact O-CG1 3.27Å; P209-I212 WeakPolarHBondContact O-CG1 3.47Å; P209-I212 PolarHBondContact O-N 3.41Å | ||
| 210 | G | 62.8 | Low | 71.4 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -4.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K185 M204 L208 | K185-G210 WeakPolarHBondContact CE-O 3.34Å; K185-G210 PolarHBondContact NZ-O 2.73Å; M204-G210 PolarHBondContact SD-N 2.71Å; M204-G210 VanDerWaalsContact SD-N 3.43Å; L208-G210 PolarHBondContact O-N 3.35Å |
| 211 | F | 64.9 | Low | 70.5 | Confident | 132 Ų | 132 | 58.6 Ų | 58.6 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 22 | 177 | -68.7 | -86.5 | 0 | 0 | 0 | 114.1 | E200 P209 K213 | E200-F211 WeakPolarHBondContact OE1-CE2 3.13Å; E200-F211 WeakPolarHBondContact OE1-CZ 3.38Å; P209-F211 PolarHBondContact O-N 3.02Å; F211-K213 PolarHBondContact O-N 2.82Å |
| 212 | I | 71.2 | Confident | 69.8 | Low | 32 Ų | 32 | 66.8 Ų | 66.8 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | trans | -49.6 | 134.6 | 171.3 | -72.8 | 159.3 | 0 | 0 | 0 | 110.7 | Q183 V184 L208 P209 F218 | Q183-I212 WeakPolarHBondContact CA-O 3.4Å; V184-I212 HydrophobicContact CG2-CB 4.32Å; V184-I212 HydrophobicContact CG2-CG2 3.68Å; V184-I212 PolarHBondContact N-O 2.93Å; V184-I212 VanDerWaalsContact N-O 3.15Å; L208-I212 HydrophobicContact CB-CD1 3.64Å; L208-I212 HydrophobicContact CD1-CD1 4.38Å; L208-I212 HydrophobicContact CD2-CD1 3.93Å; L208-I212 HydrophobicContact CG-CD1 4.19Å; P209-I212 HydrophobicContact CB-CG1 4.27Å; P209-I212 VanDerWaalsContact O-CG1 3.27Å; P209-I212 WeakPolarHBondContact O-CG1 3.47Å; P209-I212 PolarHBondContact O-N 3.41Å; I212-F218 HydrophobicContact CG2-CD2 3.71Å; I212-F218 HydrophobicContact CG2-CE2 4.06Å | ||
| 213 | K | 73.5 | Confident | 69.3 | Low | 105 Ų | 105 | 67.8 Ų | 67.8 | 46% | 0.457 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -106.8 | 149.4 | 166.4 | -61.2 | 169.9 | -169.4 | 161.9 | 0 | 108.8 | E182 Q183 F211 D215 | E182-K213 CarbonylContact O-C 3.55Å; E182-K213 VanDerWaalsContact O-CA 3.23Å; E182-K213 WeakPolarHBondContact O-CA 3.44Å; Q183-K213 HydrophobicContact CG-CG 4.25Å; F211-K213 PolarHBondContact O-N 2.82Å; K213-D215 VanDerWaalsContact C-N 3.28Å; K213-D215 PolarHBondContact O-N 2.86Å |
| 214 | V | 65.6 | Low | 69 | Low | 19 Ų | 19 | 67.7 Ų | 67.7 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -76.1 | 86 | 167 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | N180 G181 E182 V184 I187 F218 | N180-V214 CarbonylContact C-O 3.56Å; N180-V214 WeakPolarHBondContact CA-O 3.36Å; N180-V214 PolarHBondContact OD1-O 2.88Å; G181-V214 PolarHBondContact N-O 2.59Å; E182-V214 PolarHBondContact O-N 3.39Å; V184-V214 HydrophobicContact CG2-CG2 3.91Å; I187-V214 HydrophobicContact CD1-CB 4.46Å; I187-V214 HydrophobicContact CD1-CG2 3.58Å; V214-F218 HydrophobicContact CG1-CD1 4.19Å; V214-F218 HydrophobicContact CG2-CD1 4.44Å |
| 215 | D | 63.4 | Low | 68.9 | Low | 56 Ų | 56 | 66.8 Ų | 66.8 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -125.9 | -172 | 173.7 | 73.6 | 43.3 | 0 | 0 | 0 | 111.5 | K213 Q217 F218 | K213-D215 VanDerWaalsContact C-N 3.28Å; K213-D215 PolarHBondContact O-N 2.86Å; D215-Q217 PolarHBondContact O-N 2.9Å; D215-Q217 PolarHBondContact OD1-N 3.05Å; D215-F218 WeakPolarHBondContact O-CB 3.41Å; D215-F218 PolarHBondContact O-N 2.89Å |
| 216 | S | 54.6 | Low | 68.9 | Low | 120 Ų | 120 | 66.3 Ų | 66.3 | 84% | 0.839 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -1.8 | -176.5 | 50 | 0 | 0 | 0 | 0 | 115.8 | ||
| 217 | Q | 54.7 | Low | 68.7 | Low | 177 Ų | 177 | 64.5 Ų | 64.5 | 83% | 0.827 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -5.8 | 172 | -60.1 | -171.9 | -25.1 | 0 | 0 | 113.6 | D215 | D215-Q217 PolarHBondContact O-N 2.9Å; D215-Q217 PolarHBondContact OD1-N 3.05Å |
| 218 | F | 63.3 | Low | 69.1 | Low | 24 Ų | 24 | 62.8 Ų | 62.8 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | trans | -88.6 | 118.1 | 179 | -175.1 | -101.8 | 0 | 0 | 0 | 110.7 | L175 V184 I212 V214 D215 D223 I227 | L175-F218 HydrophobicContact CD1-CE1 4.3Å; L175-F218 HydrophobicContact CD1-CZ 4.15Å; L175-F218 HydrophobicContact CD2-CE1 4.35Å; L175-F218 HydrophobicContact CD2-CZ 4.23Å; V184-F218 HydrophobicContact CG2-CE2 4.2Å; V184-F218 HydrophobicContact CG2-CZ 4.45Å; I212-F218 HydrophobicContact CG2-CD2 3.71Å; I212-F218 HydrophobicContact CG2-CE2 4.06Å; V214-F218 HydrophobicContact CG1-CD1 4.19Å; V214-F218 HydrophobicContact CG2-CD1 4.44Å; D215-F218 WeakPolarHBondContact O-CB 3.41Å; D215-F218 PolarHBondContact O-N 2.89Å; F218-D223 HydrophobicContact CD2-CB 4.3Å; F218-D223 HydrophobicContact CE2-CB 3.7Å; F218-D223 HydrophobicContact CZ-CB 4.05Å; F218-I227 HydrophobicContact CE2-CD1 4.06Å; F218-I227 HydrophobicContact CZ-CD1 3.78Å | ||
| 219 | D | 66.4 | Low | 69.4 | Low | 71 Ų | 71 | 65.9 Ų | 65.9 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | trans | -102.1 | 98.7 | 178.4 | -179.1 | -7.1 | 0 | 0 | 0 | 109.6 | A221 R222 D223 | D219-A221 PolarHBondContact O-N 2.8Å; D219-A221 WeakPolarHBondContact OD1-CB 3.34Å; D219-A221 PolarHBondContact OD1-N 3.1Å; D219-R222 HydrophobicContact CB-CB 4.23Å; D219-R222 HydrophobicContact CB-CG 4.49Å; D219-R222 PolarHBondContact O-N 3.23Å; D219-R222 WeakPolarHBondContact OD2-CD 3.49Å; D219-R222 WeakPolarHBondContact OD2-CG 3.38Å; D219-D223 PolarHBondContact N-OD2 3.03Å; D219-D223 PolarHBondContact O-N 2.84Å | ||
| 220 | T | 63.9 | Low | 69.9 | Low | 43 Ų | 43 | 61.9 Ų | 61.9 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.9 | -29.6 | -178.8 | -41 | 0 | 0 | 0 | 0 | 112.8 | T172 L175 A224 | T172-T220 HydrophobicContact CG2-CG2 4.01Å; L175-T220 HydrophobicContact CB-CG2 4.23Å; L175-T220 HydrophobicContact CD1-CG2 4.42Å; T220-A224 WeakPolarHBondContact O-CB 3.42Å; T220-A224 PolarHBondContact O-N 2.92Å |
| 221 | A | 62.8 | Low | 70.8 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 67% | 0.669 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -76.6 | -26.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D219 | D219-A221 PolarHBondContact O-N 2.8Å; D219-A221 WeakPolarHBondContact OD1-CB 3.34Å; D219-A221 PolarHBondContact OD1-N 3.1Å |
| 222 | R | 68.4 | Low | 71.6 | Confident | 176 Ų | 176 | 59.9 Ų | 59.9 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -101.1 | -25.8 | -178.3 | -65.3 | -178.4 | 73.7 | -159.4 | 2.5 | 113.9 | D219 K226 | D219-R222 HydrophobicContact CB-CB 4.23Å; D219-R222 HydrophobicContact CB-CG 4.49Å; D219-R222 PolarHBondContact O-N 3.23Å; D219-R222 WeakPolarHBondContact OD2-CD 3.49Å; D219-R222 WeakPolarHBondContact OD2-CG 3.38Å; R222-K226 WeakPolarHBondContact O-CE 3.45Å |
| 223 | D | 72.9 | Confident | 72.1 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -101.3 | -23.7 | -176.3 | -63.6 | -38.2 | 0 | 0 | 0 | 113 | F218 D219 K226 I227 | F218-D223 HydrophobicContact CD2-CB 4.3Å; F218-D223 HydrophobicContact CE2-CB 3.7Å; F218-D223 HydrophobicContact CZ-CB 4.05Å; D219-D223 PolarHBondContact N-OD2 3.03Å; D219-D223 PolarHBondContact O-N 2.84Å; D223-K226 PolarHBondContact O-N 3.46Å; D223-K226 IonicContact OD1-NZ 3.01Å; D223-K226 PolarHBondContact OD1-NZ 2.81Å; D223-I227 WeakPolarHBondContact O-CB 3.48Å; D223-I227 WeakPolarHBondContact O-CD1 3.15Å; D223-I227 WeakPolarHBondContact O-CG1 3.4Å; D223-I227 PolarHBondContact O-N 2.86Å |
| 224 | A | 74.9 | Confident | 72.4 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | L171 L175 T220 I227 L228 | L171-A224 HydrophobicContact CD2-CB 4.27Å; L171-A224 WeakPolarHBondContact CD2-O 3.32Å; L175-A224 HydrophobicContact CD1-CB 4.3Å; T220-A224 WeakPolarHBondContact O-CB 3.42Å; T220-A224 PolarHBondContact O-N 2.92Å; A224-I227 PolarHBondContact O-N 2.9Å; A224-L228 PolarHBondContact O-N 2.65Å |
| 225 | P | 80.5 | Confident | 73.1 | Confident | 56 Ų | 56 | 58 Ų | 58 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 174 | -24.2 | 35.7 | 0 | 0 | 0 | 112.5 | I227 L228 D229 | P225-I227 VanDerWaalsContact C-N 3.26Å; P225-I227 PolarHBondContact O-N 2.89Å; P225-L228 WeakPolarHBondContact O-CA 3.46Å; P225-L228 WeakPolarHBondContact O-CB 3.35Å; P225-L228 PolarHBondContact O-N 3.09Å; P225-D229 PolarHBondContact O-N 3.03Å |
| 226 | K | 80.1 | Confident | 74.1 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 30% | 0.296 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 175.8 | -63.2 | 179 | -161.8 | 156.4 | 0 | 113 | V206 L208 R222 D223 D229 A230 | V206-K226 HydrophobicContact CG1-CB 3.73Å; V206-K226 HydrophobicContact CG1-CG 4.19Å; L208-K226 HydrophobicContact CD1-CB 3.89Å; L208-K226 HydrophobicContact CD1-CD 4.17Å; L208-K226 HydrophobicContact CD2-CD 4.05Å; L208-K226 HydrophobicContact CG-CD 4.17Å; R222-K226 WeakPolarHBondContact O-CE 3.45Å; D223-K226 PolarHBondContact O-N 3.46Å; D223-K226 IonicContact OD1-NZ 3.01Å; D223-K226 PolarHBondContact OD1-NZ 2.81Å; K226-D229 PolarHBondContact O-N 2.83Å; K226-A230 WeakPolarHBondContact O-CB 3.33Å; K226-A230 PolarHBondContact O-N 3.36Å |
| 227 | I | 78.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 174.9 | -69.1 | 164.4 | 0 | 0 | 0 | 109.6 | L171 L175 V184 L188 L203 L208 F218 D223 A224 P225 A230 L231 | L171-I227 HydrophobicContact CD1-CG2 4.09Å; L171-I227 HydrophobicContact CD2-CB 4.14Å; L171-I227 HydrophobicContact CD2-CG2 3.88Å; L171-I227 HydrophobicContact CG-CG2 4.48Å; L175-I227 HydrophobicContact CD1-CD1 4.1Å; V184-I227 HydrophobicContact CG1-CD1 4.17Å; L188-I227 HydrophobicContact CD1-CG2 3.98Å; L203-I227 HydrophobicContact CD2-CG1 3.92Å; L208-I227 HydrophobicContact CD1-CG1 4.15Å; F218-I227 HydrophobicContact CE2-CD1 4.06Å; F218-I227 HydrophobicContact CZ-CD1 3.78Å; D223-I227 WeakPolarHBondContact O-CB 3.48Å; D223-I227 WeakPolarHBondContact O-CD1 3.15Å; D223-I227 WeakPolarHBondContact O-CG1 3.4Å; D223-I227 PolarHBondContact O-N 2.86Å; A224-I227 PolarHBondContact O-N 2.9Å; P225-I227 VanDerWaalsContact C-N 3.26Å; P225-I227 PolarHBondContact O-N 2.89Å; I227-A230 WeakPolarHBondContact O-CB 3.34Å; I227-A230 PolarHBondContact O-N 2.91Å; I227-L231 WeakPolarHBondContact O-CG 3.28Å; I227-L231 PolarHBondContact O-N 3.15Å |
| 228 | L | 80.8 | Confident | 76.3 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 172.8 | -179.7 | 64.8 | 0 | 0 | 0 | 112 | L165 L168 A224 P225 A230 L231 Q232 | L165-L228 HydrophobicContact CD2-CD1 4.46Å; L168-L228 HydrophobicContact CD1-CD2 4.39Å; L168-L228 HydrophobicContact CD2-CB 3.95Å; L168-L228 HydrophobicContact CD2-CD2 3.8Å; L168-L228 HydrophobicContact CG-CD2 3.79Å; A224-L228 PolarHBondContact O-N 2.65Å; P225-L228 WeakPolarHBondContact O-CA 3.46Å; P225-L228 WeakPolarHBondContact O-CB 3.35Å; P225-L228 PolarHBondContact O-N 3.09Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 2.86Å; L228-L231 WeakPolarHBondContact O-CA 3.41Å; L228-L231 WeakPolarHBondContact O-CB 3.36Å; L228-L231 PolarHBondContact O-N 3.37Å; L228-Q232 PolarHBondContact O-N 3.08Å |
| 229 | D | 82.5 | Confident | 77.1 | Confident | 77 Ų | 77 | 52.3 Ų | 52.3 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 175.8 | -56.8 | -31 | 0 | 0 | 0 | 110.7 | P225 K226 L231 Q232 M233 | P225-D229 PolarHBondContact O-N 3.03Å; K226-D229 PolarHBondContact O-N 2.83Å; D229-L231 VanDerWaalsContact C-N 3.3Å; D229-L231 PolarHBondContact O-N 2.77Å; D229-Q232 PolarHBondContact O-N 3Å; D229-M233 WeakPolarHBondContact O-CG 3.48Å; D229-M233 PolarHBondContact O-N 3.03Å |
| 230 | A | 81.8 | Confident | 77.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -30.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C202 L203 V206 K226 I227 L228 A234 | C202-A230 HydrophobicContact CB-CB 3.88Å; C202-A230 WeakPolarHBondContact CB-O 3.48Å; L203-A230 HydrophobicContact CD2-CB 4.45Å; V206-A230 HydrophobicContact CG2-CB 3.95Å; K226-A230 WeakPolarHBondContact O-CB 3.33Å; K226-A230 PolarHBondContact O-N 3.36Å; I227-A230 WeakPolarHBondContact O-CB 3.34Å; I227-A230 PolarHBondContact O-N 2.91Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 2.86Å; A230-A234 PolarHBondContact O-N 3.04Å |
| 231 | L | 81 | Confident | 78.2 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.6 | -37 | 173.8 | -64.8 | -169.7 | 0 | 0 | 0 | 112.4 | L165 L171 L192 I227 L228 D229 M233 A234 E235 | L165-L231 HydrophobicContact CD2-CB 4.14Å; L171-L231 HydrophobicContact CD1-CD1 4.27Å; L192-L231 HydrophobicContact CD1-CD1 4.01Å; L192-L231 HydrophobicContact CD1-CD2 3.38Å; L192-L231 HydrophobicContact CD1-CG 4.35Å; L192-L231 HydrophobicContact CD2-CD1 4.14Å; I227-L231 WeakPolarHBondContact O-CG 3.28Å; I227-L231 PolarHBondContact O-N 3.15Å; L228-L231 WeakPolarHBondContact O-CA 3.41Å; L228-L231 WeakPolarHBondContact O-CB 3.36Å; L228-L231 PolarHBondContact O-N 3.37Å; D229-L231 VanDerWaalsContact C-N 3.3Å; D229-L231 PolarHBondContact O-N 2.77Å; L231-M233 VanDerWaalsContact C-N 3.34Å; L231-A234 WeakPolarHBondContact O-CB 3.46Å; L231-A234 PolarHBondContact O-N 3.21Å; L231-E235 PolarHBondContact O-N 2.74Å |
| 232 | Q | 82.7 | Confident | 78.6 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 172.5 | -66.2 | 176.4 | 15.7 | 0 | 0 | 110.9 | L165 L228 D229 A234 E235 V236 | L165-Q232 HydrophobicContact CD1-CG 4.09Å; L228-Q232 PolarHBondContact O-N 3.08Å; D229-Q232 PolarHBondContact O-N 3Å; Q232-A234 VanDerWaalsContact C-N 3.35Å; Q232-A234 PolarHBondContact O-N 2.9Å; Q232-E235 PolarHBondContact O-N 3.19Å; Q232-V236 PolarHBondContact O-N 2.68Å |
| 233 | M | 81 | Confident | 78.7 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 172.1 | -68.4 | -176.9 | 71.7 | 0 | 0 | 112.1 | C202 E205 V206 D229 L231 E235 V236 Y237 | C202-M233 HydrophobicContact CB-CB 4.29Å; E205-M233 HydrophobicContact CB-CE 3.94Å; E205-M233 HydrophobicContact CG-CE 4.46Å; E205-M233 WeakPolarHBondContact OE2-CE 3.4Å; V206-M233 HydrophobicContact CG2-SD 3.9Å; D229-M233 WeakPolarHBondContact O-CG 3.48Å; D229-M233 PolarHBondContact O-N 3.03Å; L231-M233 VanDerWaalsContact C-N 3.34Å; M233-E235 VanDerWaalsContact C-N 3.28Å; M233-E235 PolarHBondContact O-N 2.81Å; M233-V236 PolarHBondContact O-N 2.65Å; M233-Y237 VanDerWaalsContact O-CD2 3.26Å; M233-Y237 WeakPolarHBondContact O-CD2 3.42Å; M233-Y237 PolarHBondContact O-N 2.6Å |
| 234 | A | 80.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y194 L198 A230 L231 Q232 Y237 M238 | Y194-A234 HydrophobicContact CD2-CB 4.15Å; Y194-A234 HydrophobicContact CG-CB 4.24Å; L198-A234 HydrophobicContact CD2-CB 4.26Å; L198-A234 HydrophobicContact CG-CB 4.17Å; A230-A234 PolarHBondContact O-N 3.04Å; L231-A234 WeakPolarHBondContact O-CB 3.46Å; L231-A234 PolarHBondContact O-N 3.21Å; Q232-A234 VanDerWaalsContact C-N 3.35Å; Q232-A234 PolarHBondContact O-N 2.9Å; A234-Y237 PolarHBondContact O-N 2.88Å; A234-M238 VanDerWaalsContact O-CG 3.3Å; A234-M238 WeakPolarHBondContact O-CG 3.39Å; A234-M238 PolarHBondContact O-N 3.43Å |
| 235 | E | 80.4 | Confident | 78.4 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 23% | 0.234 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -42.9 | 173.9 | -77.7 | -179.2 | -172.2 | 0 | 0 | 112.5 | L165 Y194 L231 Q232 M233 Y237 M238 E239 | L165-E235 VanDerWaalsContact CD2-CD 3.45Å; L165-E235 HydrophobicContact CD2-CG 4.48Å; L165-E235 WeakPolarHBondContact CD2-OE1 3.49Å; L165-E235 WeakPolarHBondContact CG-OE1 3.33Å; L165-E235 VanDerWaalsContact CG-OE2 3.25Å; L165-E235 WeakPolarHBondContact CG-OE2 3.3Å; Y194-E235 HydrophobicContact CE1-CG 4.12Å; Y194-E235 HydrophobicContact CE2-CG 4.03Å; Y194-E235 VanDerWaalsContact CZ-CG 3.49Å; Y194-E235 VanDerWaalsContact OH-CD 3.26Å; Y194-E235 WeakPolarHBondContact OH-CG 3.48Å; Y194-E235 PolarHBondContact OH-OE1 2.66Å; L231-E235 PolarHBondContact O-N 2.74Å; Q232-E235 PolarHBondContact O-N 3.19Å; M233-E235 VanDerWaalsContact C-N 3.28Å; M233-E235 PolarHBondContact O-N 2.81Å; E235-Y237 PolarHBondContact O-N 3.49Å; E235-M238 CarbonylContact O-C 3.55Å; E235-M238 WeakPolarHBondContact O-CA 3.49Å; E235-M238 WeakPolarHBondContact O-CB 3.5Å; E235-M238 PolarHBondContact O-N 3Å; E235-E239 PolarHBondContact O-N 3.28Å |
| 236 | V | 83.3 | Confident | 77.8 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.7 | -35.8 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | Q232 M233 K240 | Q232-V236 PolarHBondContact O-N 2.68Å; M233-V236 PolarHBondContact O-N 2.65Å; V236-K240 HydrophobicContact CG1-CD 4.34Å; V236-K240 WeakPolarHBondContact O-CD 3.38Å; V236-K240 VanDerWaalsContact O-CG 3.26Å; V236-K240 WeakPolarHBondContact O-CG 3.36Å; V236-K240 PolarHBondContact O-N 3.13Å; V236-K240 VanDerWaalsContact O-N 3.14Å |
| 237 | Y | 80.2 | Confident | 77.9 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 18% | 0.18 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 170.9 | -83.7 | -71 | 0 | 0 | 0 | 112.9 | L198 H201 E205 M233 A234 E235 K240 T241 F277 | L198-Y237 HydrophobicContact CD1-CD2 4.26Å; L198-Y237 HydrophobicContact CD1-CG 4.16Å; H201-Y237 AromaticContact CE1-CE2 3.89Å; H201-Y237 AromaticContact CE1-CZ 3.82Å; H201-Y237 AromaticContact ND1-CE2 3.87Å; E205-Y237 PolarHBondContact OE1-OH 2.7Å; M233-Y237 VanDerWaalsContact O-CD2 3.26Å; M233-Y237 WeakPolarHBondContact O-CD2 3.42Å; M233-Y237 PolarHBondContact O-N 2.6Å; A234-Y237 PolarHBondContact O-N 2.88Å; E235-Y237 PolarHBondContact O-N 3.49Å; Y237-K240 PolarHBondContact O-N 2.89Å; Y237-T241 PolarHBondContact O-N 3.24Å; Y237-F277 HydrophobicContact CD1-CD2 4.17Å; Y237-F277 HydrophobicContact CD1-CE2 4.13Å; Y237-F277 HydrophobicContact CD1-CZ 4.49Å |
| 238 | M | 77.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.2 | -32.2 | 177.8 | -72.8 | -80 | -78.4 | 0 | 0 | 113.2 | T7 V8 Y194 L198 A234 E235 T241 | T7-M238 HydrophobicContact CG2-CE 4.19Å; V8-M238 HydrophobicContact CG2-SD 4.01Å; Y194-M238 HydrophobicContact CD1-CE 3.84Å; Y194-M238 HydrophobicContact CD1-CG 3.54Å; Y194-M238 HydrophobicContact CD1-SD 4.09Å; Y194-M238 HydrophobicContact CE1-CB 4.46Å; Y194-M238 HydrophobicContact CE1-CE 4Å; Y194-M238 HydrophobicContact CE1-CG 3.78Å; L198-M238 HydrophobicContact CD2-CG 3.99Å; L198-M238 HydrophobicContact CD2-SD 4.34Å; A234-M238 VanDerWaalsContact O-CG 3.3Å; A234-M238 WeakPolarHBondContact O-CG 3.39Å; A234-M238 PolarHBondContact O-N 3.43Å; E235-M238 CarbonylContact O-C 3.55Å; E235-M238 WeakPolarHBondContact O-CA 3.49Å; E235-M238 WeakPolarHBondContact O-CB 3.5Å; E235-M238 PolarHBondContact O-N 3Å; M238-T241 PolarHBondContact O-N 3.49Å; M238-T241 PolarHBondContact O-OG1 3.28Å |
| 239 | E | 78.9 | Confident | 78.6 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 169.1 | -69.8 | -174.6 | 150.9 | 0 | 0 | 110.8 | E235 T241 A242 | E235-E239 PolarHBondContact O-N 3.28Å; E239-T241 PolarHBondContact O-N 3.01Å; E239-A242 VanDerWaalsContact O-CB 3.29Å; E239-A242 WeakPolarHBondContact O-CB 3.23Å; E239-A242 PolarHBondContact O-N 3.1Å |
| 240 | K | 77.9 | Confident | 78.9 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 47% | 0.47 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58 | -32.8 | 173.9 | -71.4 | 167.6 | -176.4 | 174 | 0 | 113 | V236 Y237 A242 S243 F277 | V236-K240 HydrophobicContact CG1-CD 4.34Å; V236-K240 WeakPolarHBondContact O-CD 3.38Å; V236-K240 VanDerWaalsContact O-CG 3.26Å; V236-K240 WeakPolarHBondContact O-CG 3.36Å; V236-K240 PolarHBondContact O-N 3.13Å; V236-K240 VanDerWaalsContact O-N 3.14Å; Y237-K240 PolarHBondContact O-N 2.89Å; K240-A242 VanDerWaalsContact C-N 3.26Å; K240-A242 PolarHBondContact O-N 3.06Å; K240-S243 PolarHBondContact O-N 3.19Å; K240-F277 HydrophobicContact CB-CZ 4.48Å |
| 241 | T | 75.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -69.3 | -16.8 | 173.1 | 60.1 | 0 | 0 | 0 | 0 | 114.9 | V8 R11 Y237 M238 E239 S243 F277 | V8-T241 HydrophobicContact CG1-CG2 3.78Å; R11-T241 WeakPolarHBondContact CB-OG1 3.46Å; R11-T241 WeakPolarHBondContact CD-OG1 3.34Å; Y237-T241 PolarHBondContact O-N 3.24Å; M238-T241 PolarHBondContact O-N 3.49Å; M238-T241 PolarHBondContact O-OG1 3.28Å; E239-T241 PolarHBondContact O-N 3.01Å; T241-S243 VanDerWaalsContact C-N 3.35Å; T241-F277 HydrophobicContact CG2-CE2 3.53Å; T241-F277 HydrophobicContact CG2-CZ 3.78Å |
| 242 | A | 71.4 | Confident | 79.5 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -76.6 | -23.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E239 K240 | E239-A242 VanDerWaalsContact O-CB 3.29Å; E239-A242 WeakPolarHBondContact O-CB 3.23Å; E239-A242 PolarHBondContact O-N 3.1Å; K240-A242 VanDerWaalsContact C-N 3.26Å; K240-A242 PolarHBondContact O-N 3.06Å |
| 243 | S | 70.6 | Confident | 79.4 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -124 | 46.5 | 175.7 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | K240 T241 D245 | K240-S243 PolarHBondContact O-N 3.19Å; T241-S243 VanDerWaalsContact C-N 3.35Å; S243-D245 PolarHBondContact O-N 3.36Å |
| 244 | F | 72.6 | Confident | 79.3 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | trans | -73.6 | 114.2 | -172.6 | -174 | -94.6 | 0 | 0 | 0 | 112.3 | A12 A15 E16 G246 P276 F277 F293 | A12-F244 HydrophobicContact CB-CD1 4.02Å; A12-F244 HydrophobicContact CB-CD2 4.3Å; A12-F244 HydrophobicContact CB-CE1 4.21Å; A12-F244 HydrophobicContact CB-CE2 4.48Å; A12-F244 HydrophobicContact CB-CG 4.06Å; A12-F244 HydrophobicContact CB-CZ 4.44Å; A15-F244 HydrophobicContact CB-CB 3.85Å; E16-F244 HydrophobicContact CG-CD1 3.98Å; E16-F244 HydrophobicContact CG-CE1 4.35Å; F244-G246 WeakPolarHBondContact CE1-O 3.44Å; F244-G246 VanDerWaalsContact CZ-C 3.43Å; F244-G246 VanDerWaalsContact CZ-CA 3.44Å; F244-G246 WeakPolarHBondContact CZ-O 3.39Å; F244-P276 HydrophobicContact CE2-CB 3.75Å; F244-P276 VanDerWaalsContact CE2-O 3.3Å; F244-P276 WeakPolarHBondContact CE2-O 3.49Å; F244-P276 HydrophobicContact CZ-CB 3.68Å; F244-P276 WeakPolarHBondContact CZ-O 3.45Å; F244-F277 AromaticContact CD2-CE1 3.93Å; F244-F277 HydrophobicContact CD2-CE1 3.93Å; F244-F277 AromaticContact CD2-CZ 3.93Å; F244-F277 HydrophobicContact CD2-CZ 3.93Å; F244-F277 HydrophobicContact CE2-CD1 4.17Å; F244-F277 AromaticContact CE2-CE1 3.62Å; F244-F277 HydrophobicContact CE2-CE1 3.62Å; F244-F277 AromaticContact CE2-CZ 3.93Å; F244-F277 HydrophobicContact CE2-CZ 3.93Å; F244-F293 HydrophobicContact CE1-CB 3.91Å; F244-F293 HydrophobicContact CZ-CB 4.32Å | ||
| 245 | D | 68.1 | Low | 79.1 | Confident | 158 Ų | 158 | 52.1 Ų | 52.1 | 85% | 0.845 | 28% | 0.277 | S | S | * | . | trans | -111.5 | 21.7 | 168.5 | 63.7 | -16.6 | 0 | 0 | 0 | 111.5 | S243 | S243-D245 PolarHBondContact O-N 3.36Š| ||
| 246 | G | 68.8 | Low | 78.8 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 166.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F244 | F244-G246 WeakPolarHBondContact CE1-O 3.44Å; F244-G246 VanDerWaalsContact CZ-C 3.43Å; F244-G246 VanDerWaalsContact CZ-CA 3.44Å; F244-G246 WeakPolarHBondContact CZ-O 3.39Å |
| 247 | K | 82.8 | Confident | 78 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 40% | 0.404 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 152.7 | 177.3 | -65.9 | -174.2 | -173.4 | 174.3 | 0 | 112.6 | Y249 E289 F290 | K247-Y249 HydrophobicContact CB-CE2 4.09Å; K247-Y249 WeakPolarHBondContact O-CE2 3.33Å; K247-E289 HydrophobicContact CB-CG 4.17Å; K247-E289 HydrophobicContact CD-CG 3.54Å; K247-E289 VanDerWaalsContact CD-OE1 3.24Å; K247-E289 WeakPolarHBondContact CD-OE1 3.48Å; K247-E289 HydrophobicContact CG-CG 4.49Å; K247-E289 IonicContact NZ-OE1 3.17Å; K247-E289 PolarHBondContact NZ-OE1 2.81Å; K247-E289 VanDerWaalsContact NZ-OE1 3.17Å; K247-E289 IonicContact NZ-OE2 2.66Å; K247-E289 PolarHBondContact NZ-OE2 3.5Å; K247-F290 CarbonylContact C-O 3.53Å; K247-F290 VanDerWaalsContact CA-O 3.32Å; K247-F290 WeakPolarHBondContact CA-O 3.25Å; K247-F290 WeakPolarHBondContact CB-O 3.49Å |
| 248 | G | 85.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E289 F290 | G248-E289 CarbonylContact O-C 3.57Å; G248-E289 WeakPolarHBondContact O-CA 3.33Å; G248-F290 PolarHBondContact N-O 3.1Å; G248-F290 PolarHBondContact O-N 3.06Å |
| 249 | Y | 88 | Confident | 76.4 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 14% | 0.137 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.9 | 178.1 | -63.3 | -85.1 | 0 | 0 | 0 | 111.9 | K247 F274 H275 L278 Y287 V288 E289 | K247-Y249 HydrophobicContact CB-CE2 4.09Å; K247-Y249 WeakPolarHBondContact O-CE2 3.33Å; Y249-F274 CarbonylContact O-C 3.1Å; Y249-F274 VanDerWaalsContact O-CA 3.29Å; Y249-F274 WeakPolarHBondContact O-CA 3.44Å; Y249-H275 PolarHBondContact N-O 2.98Å; Y249-H275 PolarHBondContact O-N 3.32Å; Y249-L278 HydrophobicContact CD1-CB 4.07Å; Y249-L278 HydrophobicContact CD2-CB 4.28Å; Y249-L278 HydrophobicContact CE1-CB 4.14Å; Y249-L278 HydrophobicContact CE2-CB 4.34Å; Y249-L278 HydrophobicContact CG-CB 4.16Å; Y249-Y287 HydrophobicContact CD1-CD2 4.06Å; Y249-Y287 HydrophobicContact CD1-CE2 4.46Å; Y249-Y287 HydrophobicContact CE1-CE2 4.47Å; Y249-V288 WeakPolarHBondContact CA-O 3.34Å; Y249-E289 HydrophobicContact CD1-CB 4.16Å; Y249-E289 HydrophobicContact CD1-CG 4.22Å; Y249-E289 HydrophobicContact CE1-CB 3.86Å; Y249-E289 HydrophobicContact CE1-CG 3.56Å; Y249-E289 VanDerWaalsContact CE1-OE1 3.32Å; Y249-E289 WeakPolarHBondContact CE1-OE1 3.33Å; Y249-E289 PolarHBondContact OH-OE1 2.84Å |
| 250 | I | 88.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.3 | 168.6 | -58.1 | 179.5 | 0 | 0 | 0 | 109.3 | Y271 Y287 V288 F290 A296 E299 F300 | I250-Y271 HydrophobicContact CD1-CD2 4.34Å; I250-Y271 HydrophobicContact CD1-CE2 4.32Å; I250-Y271 HydrophobicContact CG2-CD1 4.11Å; I250-Y271 HydrophobicContact CG2-CD2 3.93Å; I250-Y271 HydrophobicContact CG2-CG 3.68Å; I250-Y287 CarbonylContact O-C 3.56Å; I250-Y287 WeakPolarHBondContact O-CA 3.35Å; I250-V288 PolarHBondContact N-O 3.35Å; I250-V288 PolarHBondContact O-N 2.83Å; I250-F290 HydrophobicContact CB-CE2 4.18Å; I250-F290 HydrophobicContact CD1-CD2 4.27Å; I250-F290 HydrophobicContact CD1-CE2 3.36Å; I250-F290 HydrophobicContact CD1-CZ 3.65Å; I250-F290 HydrophobicContact CG1-CD2 4.19Å; I250-F290 HydrophobicContact CG1-CE2 3.6Å; I250-F290 HydrophobicContact CG1-CZ 4.39Å; I250-A296 VanDerWaalsContact CD1-O 3.28Å; I250-A296 WeakPolarHBondContact CD1-O 3.4Å; I250-A296 HydrophobicContact CG1-CB 4.06Å; I250-E299 HydrophobicContact CD1-CB 4.35Å; I250-E299 HydrophobicContact CD1-CG 4.1Å; I250-F300 HydrophobicContact CD1-CB 4.11Å; I250-F300 HydrophobicContact CG2-CD2 4.13Å |
| 251 | I | 88 | Confident | 74.2 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126 | 176.7 | -49.4 | -51.1 | 0 | 0 | 0 | 109.9 | E272 E273 L278 H282 | I251-E272 PolarHBondContact O-N 2.9Å; I251-E273 HydrophobicContact CB-CB 4.5Å; I251-E273 PolarHBondContact N-O 2.85Å; I251-L278 HydrophobicContact CD1-CD1 4.29Å; I251-H282 HydrophobicContact CD1-CB 3.67Å; I251-H282 HydrophobicContact CG1-CB 4.01Å; I251-H282 HydrophobicContact CG2-CB 4.21Å |
| 252 | Q | 85.9 | Confident | 73.2 | Confident | 25 Ų | 25 | 58 Ų | 58 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.7 | -178.1 | -56.2 | -166.8 | -5.6 | 0 | 0 | 111.8 | L269 T270 Y271 H286 | Q252-L269 HydrophobicContact CB-CD2 4.3Å; Q252-T270 CarbonylContact C-O 3.57Å; Q252-T270 WeakPolarHBondContact CA-O 3.45Å; Q252-Y271 HydrophobicContact CG-CD1 3.88Å; Q252-Y271 HydrophobicContact CG-CE1 4.11Å; Q252-Y271 VanDerWaalsContact NE2-CE1 3.29Å; Q252-H286 HydrophobicContact CB-CB 4.21Å; Q252-H286 PolarHBondContact N-O 3.18Å |
| 253 | K | 82.1 | Confident | 72 | Confident | 75 Ų | 75 | 63 Ų | 63 | 33% | 0.326 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.8 | 171.2 | -169.3 | -162.6 | -147.1 | 81.4 | 0 | 109.3 | E255 T270 E272 | K253-E255 HydrophobicContact CD-CG 4.13Å; K253-E255 PolarHBondContact O-N 3.23Å; K253-T270 PolarHBondContact N-O 3.22Å; K253-T270 PolarHBondContact O-N 2.9Å; K253-T270 PolarHBondContact O-OG1 3.08Å; K253-T270 VanDerWaalsContact O-OG1 3.11Å; K253-E272 HydrophobicContact CB-CB 4.06Å; K253-E272 WeakPolarHBondContact CD-OE2 3.29Å; K253-E272 IonicContact NZ-OE1 2.6Å; K253-E272 PolarHBondContact NZ-OE1 3.06Å; K253-E272 IonicContact NZ-OE2 3.19Å; K253-E272 PolarHBondContact NZ-OE2 2.65Å |
| 254 | C | 78.1 | Confident | 71 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 110.6 | 164 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | E267 L269 | C254-E267 PolarHBondContact SG-OE2 2.89Å; C254-L269 HydrophobicContact CB-CD2 4.25Å |
| 255 | E | 76.1 | Confident | 70.1 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 23% | 0.234 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 109.2 | 158 | -74.1 | -136.4 | -178.1 | 0 | 0 | 109.1 | K253 K257 L268 L314 K318 | K253-E255 HydrophobicContact CD-CG 4.13Å; K253-E255 PolarHBondContact O-N 3.23Å; E255-K257 PolarHBondContact O-N 2.81Å; E255-K257 VanDerWaalsContact O-N 3.16Å; E255-L268 PolarHBondContact N-O 3.31Å; E255-L268 WeakPolarHBondContact O-CB 3.36Å; E255-L268 PolarHBondContact O-N 2.82Å; E255-L314 HydrophobicContact CB-CD1 4.14Å; E255-L314 WeakPolarHBondContact OE2-CD2 3.23Å; E255-K318 IonicContact OE2-NZ 2.82Å; E255-K318 PolarHBondContact OE2-NZ 2.81Å |
| 256 | K | 73.6 | Confident | 69.7 | Low | 129 Ų | 129 | 68 Ų | 68 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 118.6 | 171.3 | -58.1 | -173.1 | -171.8 | -103.9 | 0 | 108.9 | E267 | K256-E267 WeakPolarHBondContact CE-OE1 3.36Å; K256-E267 HydrophobicContact CG-CG 4.45Å; K256-E267 IonicContact NZ-OE1 2.69Å; K256-E267 PolarHBondContact NZ-OE1 2.83Å |
| 257 | K | 68.1 | Low | 69.8 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 27% | 0.27 | 37% | 0.366 | S | S | . | . | trans | -62.7 | 133.6 | 174 | -65.3 | -175.8 | -162.2 | 172.8 | 0 | 108.5 | E255 S259 E266 L268 L314 | E255-K257 PolarHBondContact O-N 2.81Å; E255-K257 VanDerWaalsContact O-N 3.16Å; K257-S259 PolarHBondContact O-N 2.85Å; K257-E266 HydrophobicContact CB-CB 4.5Å; K257-E266 WeakPolarHBondContact CB-O 3.13Å; K257-E266 HydrophobicContact CD-CB 3.86Å; K257-E266 HydrophobicContact CG-CB 4.39Å; K257-E266 WeakPolarHBondContact CG-O 3.33Å; K257-E266 PolarHBondContact N-O 3.45Å; K257-E266 IonicContact NZ-OE2 3.63Å; K257-E266 PolarHBondContact NZ-OE2 3.07Å; K257-L268 HydrophobicContact CG-CB 4.09Å; K257-L314 HydrophobicContact CG-CD1 4.25Å | ||
| 258 | P | 62.5 | Low | 69.3 | Low | 36 Ų | 36 | 68.2 Ų | 68.2 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | trans | -80.1 | 75.5 | -179.9 | 35.5 | -36.5 | 0 | 0 | 0 | 109.8 | E317 K318 L321 | P258-E317 HydrophobicContact CG-CB 4.24Å; P258-K318 HydrophobicContact CG-CG 4.03Å; P258-L321 HydrophobicContact CB-CD1 3.58Å; P258-L321 HydrophobicContact CG-CD1 3.87Å; P258-L321 WeakPolarHBondContact O-CD1 3.49Å | ||
| 259 | S | 60.1 | Low | 68.9 | Low | 57 Ų | 57 | 71.9 Ų | 71.9 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | trans | -67.1 | 148 | 178 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | K257 A261 | K257-S259 PolarHBondContact O-N 2.85Å; S259-A261 VanDerWaalsContact C-N 3.3Å; S259-A261 WeakPolarHBondContact CB-O 3.47Å; S259-A261 PolarHBondContact OG-O 2.76Å | ||
| 260 | L | 54.9 | Low | 68.6 | Low | 74 Ų | 74 | 70.5 Ų | 70.5 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -83.2 | -8.5 | 167.8 | -78.7 | 175.7 | 0 | 0 | 0 | 113.1 | L321 T502 K503 L506 | L260-L321 HydrophobicContact CD2-CD2 3.6Å; L260-L321 HydrophobicContact CG-CD2 4.03Å; L260-T502 HydrophobicContact CD1-CG2 4.47Å; L260-K503 HydrophobicContact CD1-CB 4.48Å; L260-K503 HydrophobicContact CD1-CD 4.37Å; L260-K503 HydrophobicContact CD1-CG 3.41Å; L260-K503 VanDerWaalsContact CD1-CG 3.41Å; L260-L506 HydrophobicContact CD1-CD1 3.45Å; L260-L506 VanDerWaalsContact CD1-CD1 3.45Å; L260-L506 HydrophobicContact CG-CD1 3.93Å |
| 261 | A | 56.6 | Low | 68.4 | Low | 61 Ų | 61 | 71.7 Ų | 71.7 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | trans | -103.4 | 120.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S259 | S259-A261 VanDerWaalsContact C-N 3.3Å; S259-A261 WeakPolarHBondContact CB-O 3.47Å; S259-A261 PolarHBondContact OG-O 2.76Å | ||
| 262 | P | 55.2 | Low | 68.3 | Low | 118 Ų | 118 | 74.4 Ų | 74.4 | 77% | 0.766 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -79.9 | -14.2 | -173.9 | 31.2 | -35.6 | 0 | 0 | 0 | 114.3 | K264 | P262-K264 PolarHBondContact O-N 3.45Š|
| 263 | E | 45.9 | Very low | 68.3 | Low | 178 Ų | 178 | 75.6 Ų | 75.6 | 83% | 0.832 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -74.9 | -26.5 | -165.8 | -61.1 | -171.5 | 135.9 | 0 | 0 | 114.9 | ||
| 264 | K | 48.6 | Very low | 68.7 | Low | 182 Ų | 182 | 72 Ų | 72 | 79% | 0.791 | 38% | 0.375 | S | S | * | . | trans | -141.2 | 100.4 | 171.2 | -68.8 | -171.9 | -179 | 177.1 | 0 | 110.1 | P262 E266 | P262-K264 PolarHBondContact O-N 3.45Å; K264-E266 PolarHBondContact O-N 3.5Å; K264-E266 VanDerWaalsContact O-N 3.14Å | ||
| 265 | P | 54.1 | Low | 69.1 | Low | 65 Ų | 65 | 70 Ų | 70 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | trans | -70.6 | 105.8 | 168.4 | 28.7 | -31.8 | 0 | 0 | 0 | 108.6 | E267 | P265-E267 PolarHBondContact O-N 2.8Å; P265-E267 VanDerWaalsContact O-N 3.15Å | ||
| 266 | E | 59.9 | Low | 69.5 | Low | 120 Ų | 120 | 67.6 Ų | 67.6 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | trans | -62.2 | 116.2 | 170 | -77.6 | -175.4 | -176.1 | 0 | 0 | 109.7 | K257 K264 L268 | K257-E266 HydrophobicContact CB-CB 4.5Å; K257-E266 WeakPolarHBondContact CB-O 3.13Å; K257-E266 HydrophobicContact CD-CB 3.86Å; K257-E266 HydrophobicContact CG-CB 4.39Å; K257-E266 WeakPolarHBondContact CG-O 3.33Å; K257-E266 PolarHBondContact N-O 3.45Å; K257-E266 IonicContact NZ-OE2 3.63Å; K257-E266 PolarHBondContact NZ-OE2 3.07Å; K264-E266 PolarHBondContact O-N 3.5Å; K264-E266 VanDerWaalsContact O-N 3.14Å; E266-L268 PolarHBondContact O-N 2.99Å | ||
| 267 | E | 69.9 | Low | 70 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 111.6 | 177.6 | -59.2 | -149.1 | 154.1 | 0 | 0 | 109.6 | C254 K256 P265 L269 | C254-E267 PolarHBondContact SG-OE2 2.89Å; K256-E267 WeakPolarHBondContact CE-OE1 3.36Å; K256-E267 HydrophobicContact CG-CG 4.45Å; K256-E267 IonicContact NZ-OE1 2.69Å; K256-E267 PolarHBondContact NZ-OE1 2.83Å; P265-E267 PolarHBondContact O-N 2.8Å; P265-E267 VanDerWaalsContact O-N 3.15Å; E267-L269 PolarHBondContact O-N 2.9Å |
| 268 | L | 72.7 | Confident | 70.7 | Confident | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 99.9 | 174.8 | -174.9 | 72.7 | 0 | 0 | 0 | 108.8 | E255 K257 E266 T270 D310 L314 | E255-L268 PolarHBondContact N-O 3.31Å; E255-L268 WeakPolarHBondContact O-CB 3.36Å; E255-L268 PolarHBondContact O-N 2.82Å; K257-L268 HydrophobicContact CG-CB 4.09Å; E266-L268 PolarHBondContact O-N 2.99Å; L268-T270 HydrophobicContact CD2-CG2 3.7Å; L268-T270 HydrophobicContact CG-CG2 3.81Å; L268-T270 PolarHBondContact O-N 3.08Å; L268-D310 HydrophobicContact CD1-CB 4.49Å; L268-D310 HydrophobicContact CD2-CB 3.9Å; L268-L314 HydrophobicContact CB-CD1 4.37Å; L268-L314 HydrophobicContact CD2-CD1 3.69Å |
| 269 | L | 77.6 | Confident | 71.7 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 40% | 0.403 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 108.6 | 169.1 | -66.8 | 166.4 | 0 | 0 | 0 | 109.1 | Q252 C254 E267 | Q252-L269 HydrophobicContact CB-CD2 4.3Å; C254-L269 HydrophobicContact CB-CD2 4.25Å; E267-L269 PolarHBondContact O-N 2.9Å |
| 270 | T | 81.4 | Confident | 72.5 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143 | 175.1 | 58.4 | 0 | 0 | 0 | 0 | 109.6 | Q252 K253 L268 E272 V311 | Q252-T270 CarbonylContact C-O 3.57Å; Q252-T270 WeakPolarHBondContact CA-O 3.45Å; K253-T270 PolarHBondContact N-O 3.22Å; K253-T270 PolarHBondContact O-N 2.9Å; K253-T270 PolarHBondContact O-OG1 3.08Å; K253-T270 VanDerWaalsContact O-OG1 3.11Å; L268-T270 HydrophobicContact CD2-CG2 3.7Å; L268-T270 HydrophobicContact CG-CG2 3.81Å; L268-T270 PolarHBondContact O-N 3.08Å; T270-E272 PolarHBondContact O-N 3.02Å; T270-V311 HydrophobicContact CG2-CG2 4.12Å |
| 271 | Y | 85.9 | Confident | 73.6 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.3 | -179.7 | -58.3 | -9.4 | 0 | 0 | 0 | 108.2 | M1 I250 Q252 E299 F300 K303 Q307 | M1-Y271 WeakPolarHBondContact CG-O 3.37Å; I250-Y271 HydrophobicContact CD1-CD2 4.34Å; I250-Y271 HydrophobicContact CD1-CE2 4.32Å; I250-Y271 HydrophobicContact CG2-CD1 4.11Å; I250-Y271 HydrophobicContact CG2-CD2 3.93Å; I250-Y271 HydrophobicContact CG2-CG 3.68Å; Q252-Y271 HydrophobicContact CG-CD1 3.88Å; Q252-Y271 HydrophobicContact CG-CE1 4.11Å; Q252-Y271 VanDerWaalsContact NE2-CE1 3.29Å; Y271-E299 HydrophobicContact CE2-CG 4.41Å; Y271-F300 HydrophobicContact CD2-CD2 4.32Å; Y271-F300 HydrophobicContact CG-CD2 4.48Å; Y271-K303 HydrophobicContact CD2-CB 4.37Å; Y271-K303 HydrophobicContact CE2-CB 4.03Å; Y271-K303 HydrophobicContact CE2-CD 3.58Å; Y271-K303 HydrophobicContact CE2-CG 4.42Å; Y271-K303 WeakPolarHBondContact OH-CD 3.36Å; Y271-K303 PolarHBondContact OH-NZ 3.43Å; Y271-Q307 VanDerWaalsContact CD2-NE2 3.31Å |
| 272 | E | 84.6 | Confident | 74.5 | Confident | 63 Ų | 63 | 57 Ų | 57 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -43.3 | -174.1 | -164.8 | 159.8 | -143.3 | 0 | 0 | 112.1 | M1 K2 I251 K253 T270 | M1-E272 CarbonylContact C-O 3.55Å; M1-E272 VanDerWaalsContact C-O 3.31Å; M1-E272 WeakPolarHBondContact CA-O 3.48Å; M1-E272 VanDerWaalsContact N-CG 3.29Å; M1-E272 PolarHBondContact N-O 3.25Å; K2-E272 PolarHBondContact N-O 2.86Å; I251-E272 PolarHBondContact O-N 2.9Å; K253-E272 HydrophobicContact CB-CB 4.06Å; K253-E272 WeakPolarHBondContact CD-OE2 3.29Å; K253-E272 IonicContact NZ-OE1 2.6Å; K253-E272 PolarHBondContact NZ-OE1 3.06Å; K253-E272 IonicContact NZ-OE2 3.19Å; K253-E272 PolarHBondContact NZ-OE2 2.65Å; T270-E272 PolarHBondContact O-N 3.02Å |
| 273 | E | 86.9 | Confident | 75.4 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 161.5 | 179.3 | -54.6 | -163 | 164.3 | 0 | 0 | 110.8 | K2 I251 H275 H282 | K2-E273 HydrophobicContact CB-CB 4.19Å; K2-E273 HydrophobicContact CB-CG 4.15Å; K2-E273 HydrophobicContact CD-CB 4.42Å; I251-E273 HydrophobicContact CB-CB 4.5Å; I251-E273 PolarHBondContact N-O 2.85Å; E273-H275 IonicContact OE2-CE1 2.85Å; E273-H275 PolarHBondContact OE2-CE1 3.3Å; E273-H275 IonicContact OE2-NE2 3.99Å; E273-H275 PolarHBondContact OE2-NE2 2.97Å; E273-H282 IonicContact OE2-CE1 3.94Å; E273-H282 IonicContact OE2-NE2 3.34Å |
| 274 | F | 89.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136 | 172.7 | 58.8 | -89.4 | 0 | 0 | 0 | 107.4 | K2 F5 Y249 F293 V297 F300 Y301 | K2-F274 HydrophobicContact CB-CD1 4.22Å; K2-F274 HydrophobicContact CB-CE1 3.9Å; K2-F274 HydrophobicContact CD-CD1 4.09Å; K2-F274 HydrophobicContact CD-CD2 4.4Å; K2-F274 HydrophobicContact CD-CE1 3.85Å; K2-F274 HydrophobicContact CD-CE2 4.16Å; K2-F274 HydrophobicContact CD-CG 4.35Å; K2-F274 HydrophobicContact CD-CZ 3.87Å; K2-F274 WeakPolarHBondContact CD-O 3.45Å; K2-F274 HydrophobicContact CG-CD1 4.35Å; K2-F274 HydrophobicContact CG-CE1 3.77Å; K2-F274 HydrophobicContact CG-CZ 3.97Å; K2-F274 PolarHBondContact NZ-O 2.92Å; F5-F274 AromaticContact CD1-CE2 3.84Å; F5-F274 HydrophobicContact CD1-CE2 3.84Å; F5-F274 AromaticContact CD1-CZ 3.82Å; F5-F274 HydrophobicContact CD1-CZ 3.82Å; F5-F274 AromaticContact CE1-CE2 3.62Å; F5-F274 HydrophobicContact CE1-CE2 3.62Å; F5-F274 AromaticContact CE1-CZ 3.8Å; F5-F274 HydrophobicContact CE1-CZ 3.8Å; F5-F274 HydrophobicContact CZ-CE2 4.47Å; Y249-F274 CarbonylContact O-C 3.1Å; Y249-F274 VanDerWaalsContact O-CA 3.29Å; Y249-F274 WeakPolarHBondContact O-CA 3.44Å; F274-F293 AromaticContact CD2-CE2 3.9Å; F274-F293 HydrophobicContact CD2-CE2 3.9Å; F274-F293 AromaticContact CD2-CZ 3.8Å; F274-F293 HydrophobicContact CD2-CZ 3.8Å; F274-F293 HydrophobicContact CE2-CZ 4.15Å; F274-V297 HydrophobicContact CD2-CG2 3.89Å; F274-V297 HydrophobicContact CE2-CG2 4.14Å; F274-F300 HydrophobicContact CB-CD2 4.26Å; F274-F300 HydrophobicContact CB-CG 4.41Å; F274-F300 AromaticContact CD1-CD1 3.61Å; F274-F300 HydrophobicContact CD1-CD1 3.61Å; F274-F300 AromaticContact CD1-CD2 3.95Å; F274-F300 HydrophobicContact CD1-CD2 3.95Å; F274-F300 AromaticContact CD1-CE1 3.67Å; F274-F300 HydrophobicContact CD1-CE1 3.67Å; F274-F300 HydrophobicContact CD1-CE2 4.01Å; F274-F300 AromaticContact CD1-CG 3.76Å; F274-F300 HydrophobicContact CD1-CG 3.76Å; F274-F300 AromaticContact CD1-CZ 3.88Å; F274-F300 HydrophobicContact CD1-CZ 3.88Å; F274-F300 AromaticContact CE1-CD1 3.98Å; F274-F300 HydrophobicContact CE1-CD1 3.98Å; F274-F300 AromaticContact CE1-CE1 3.83Å; F274-F300 HydrophobicContact CE1-CE1 3.83Å; F274-F300 HydrophobicContact CE1-CZ 4.3Å; F274-F300 HydrophobicContact CG-CG 4.42Å; F274-Y301 HydrophobicContact CD1-CE2 4.42Å; F274-Y301 AromaticContact CE1-CE2 3.73Å; F274-Y301 HydrophobicContact CE1-CE2 3.73Å; F274-Y301 AromaticContact CZ-CE2 3.93Å; F274-Y301 HydrophobicContact CZ-CE2 3.93Å |
| 275 | H | 86.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.6 | -178.4 | -57.8 | -64.9 | 0 | 0 | 0 | 110.9 | K2 Y249 E273 F277 F279 H282 | K2-H275 PolarHBondContact NZ-ND1 2.74Å; Y249-H275 PolarHBondContact N-O 2.98Å; Y249-H275 PolarHBondContact O-N 3.32Å; E273-H275 IonicContact OE2-CE1 2.85Å; E273-H275 PolarHBondContact OE2-CE1 3.3Å; E273-H275 IonicContact OE2-NE2 3.99Å; E273-H275 PolarHBondContact OE2-NE2 2.97Å; H275-F277 WeakPolarHBondContact CB-O 3.44Å; H275-F277 PolarHBondContact O-N 2.79Å; H275-F279 HydrophobicContact CB-CD2 4.12Å; H275-F279 HydrophobicContact CB-CE2 3.81Å; H275-F279 AromaticContact CD2-CD2 3.85Å; H275-F279 AromaticContact CG-CD2 3.79Å; H275-F279 AromaticContact CG-CE2 3.6Å; H275-F279 AromaticContact ND1-CE2 3.59Å; H275-H282 AromaticContact CD2-CD2 3.65Å; H275-H282 AromaticContact CD2-NE2 3.7Å; H275-H282 AromaticContact NE2-CD2 3.65Å; H275-H282 AromaticContact NE2-NE2 3.18Å; H275-H282 PolarHBondContact NE2-NE2 3.49Å; H275-H282 VanDerWaalsContact NE2-NE2 3.18Å |
| 276 | P | 85.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -76.6 | -6.9 | 177.4 | 31.1 | -35.5 | 0 | 0 | 0 | 113.5 | V8 D9 A12 F244 F293 | V8-P276 HydrophobicContact CG1-CG 4.03Å; D9-P276 WeakPolarHBondContact OD1-CD 3.46Å; A12-P276 HydrophobicContact CB-CB 3.67Å; A12-P276 HydrophobicContact CB-CG 4.11Å; F244-P276 HydrophobicContact CE2-CB 3.75Å; F244-P276 VanDerWaalsContact CE2-O 3.3Å; F244-P276 WeakPolarHBondContact CE2-O 3.49Å; F244-P276 HydrophobicContact CZ-CB 3.68Å; F244-P276 WeakPolarHBondContact CZ-O 3.45Å; P276-F293 HydrophobicContact CB-CD1 4.27Å; P276-F293 HydrophobicContact CB-CD2 4.01Å; P276-F293 HydrophobicContact CB-CE1 4.43Å; P276-F293 HydrophobicContact CB-CE2 4.18Å; P276-F293 HydrophobicContact CB-CG 4.06Å; P276-F293 HydrophobicContact CB-CZ 4.38Å; P276-F293 HydrophobicContact CG-CZ 4.47Å |
| 277 | F | 84.1 | Confident | 80.9 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -138.2 | 149.3 | 173.5 | -53.7 | -67.9 | 0 | 0 | 0 | 110.1 | V8 Y237 K240 T241 F244 H275 F279 | V8-F277 HydrophobicContact CG1-CE2 4.45Å; Y237-F277 HydrophobicContact CD1-CD2 4.17Å; Y237-F277 HydrophobicContact CD1-CE2 4.13Å; Y237-F277 HydrophobicContact CD1-CZ 4.49Å; K240-F277 HydrophobicContact CB-CZ 4.48Å; T241-F277 HydrophobicContact CG2-CE2 3.53Å; T241-F277 HydrophobicContact CG2-CZ 3.78Å; F244-F277 AromaticContact CD2-CE1 3.93Å; F244-F277 HydrophobicContact CD2-CE1 3.93Å; F244-F277 AromaticContact CD2-CZ 3.93Å; F244-F277 HydrophobicContact CD2-CZ 3.93Å; F244-F277 HydrophobicContact CE2-CD1 4.17Å; F244-F277 AromaticContact CE2-CE1 3.62Å; F244-F277 HydrophobicContact CE2-CE1 3.62Å; F244-F277 AromaticContact CE2-CZ 3.93Å; F244-F277 HydrophobicContact CE2-CZ 3.93Å; H275-F277 WeakPolarHBondContact CB-O 3.44Å; H275-F277 PolarHBondContact O-N 2.79Å; F277-F279 HydrophobicContact CB-CD1 4.44Å; F277-F279 HydrophobicContact CB-CE1 4.24Å; F277-F279 HydrophobicContact CD2-CE1 4.34Å; F277-F279 PolarHBondContact O-N 2.7Å |
| 278 | L | 82.6 | Confident | 81.7 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 28% | 0.283 | 25% | 0.25 | S | C | . | . | trans | -74.9 | 88.4 | 169.2 | -178.4 | 62.5 | 0 | 0 | 0 | 109.9 | Y249 I251 Y287 | Y249-L278 HydrophobicContact CD1-CB 4.07Å; Y249-L278 HydrophobicContact CD2-CB 4.28Å; Y249-L278 HydrophobicContact CE1-CB 4.14Å; Y249-L278 HydrophobicContact CE2-CB 4.34Å; Y249-L278 HydrophobicContact CG-CB 4.16Å; I251-L278 HydrophobicContact CD1-CD1 4.29Å; L278-Y287 HydrophobicContact CD1-CD1 3.75Å; L278-Y287 HydrophobicContact CD1-CE1 4.06Å; L278-Y287 HydrophobicContact CD1-CG 4.01Å; L278-Y287 HydrophobicContact CD2-CD1 4.29Å; L278-Y287 HydrophobicContact CD2-CE1 3.74Å; L278-Y287 HydrophobicContact CD2-CE2 4.21Å | ||
| 279 | F | 82.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | trans | -61.5 | 136.1 | 174.9 | -63.1 | -45.9 | 0 | 0 | 0 | 111.5 | L198 H201 H275 F277 Q281 H282 A283 | L198-F279 HydrophobicContact CD1-CE1 3.87Å; L198-F279 HydrophobicContact CD1-CZ 4.44Å; H201-F279 HydrophobicContact CB-CB 4.39Å; H201-F279 HydrophobicContact CB-CD1 3.85Å; H201-F279 HydrophobicContact CB-CE1 4.44Å; H201-F279 HydrophobicContact CB-CG 4.24Å; H201-F279 WeakPolarHBondContact CD2-CA 3.37Å; H201-F279 VanDerWaalsContact CD2-CB 3.44Å; H201-F279 WeakPolarHBondContact CD2-CB 3.5Å; H201-F279 AromaticContact CD2-CD1 3.66Å; H201-F279 AromaticContact CD2-CG 3.96Å; H201-F279 AromaticContact CG-CD1 3.53Å; H201-F279 AromaticContact ND1-CD1 3.97Å; H201-F279 WeakPolarHBondContact NE2-CA 3.35Å; H275-F279 HydrophobicContact CB-CD2 4.12Å; H275-F279 HydrophobicContact CB-CE2 3.81Å; H275-F279 AromaticContact CD2-CD2 3.85Å; H275-F279 AromaticContact CG-CD2 3.79Å; H275-F279 AromaticContact CG-CE2 3.6Å; H275-F279 AromaticContact ND1-CE2 3.59Å; F277-F279 HydrophobicContact CB-CD1 4.44Å; F277-F279 HydrophobicContact CB-CE1 4.24Å; F277-F279 HydrophobicContact CD2-CE1 4.34Å; F277-F279 PolarHBondContact O-N 2.7Å; F279-Q281 HydrophobicContact CB-CG 3.93Å; F279-Q281 PolarHBondContact O-N 3.07Å; F279-H282 WeakPolarHBondContact O-CA 3.44Å; F279-H282 PolarHBondContact O-N 2.66Å; F279-A283 PolarHBondContact O-N 3.1Å | ||
| 280 | A | 77.2 | Confident | 83 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -45.9 | -35.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H201 E205 H282 A283 | H201-A280 PolarHBondContact CD2-N 3.32Å; H201-A280 PolarHBondContact NE2-N 3.41Å; E205-A280 HydrophobicContact CG-CB 4.48Å; A280-H282 PolarHBondContact O-N 3.26Å; A280-H282 VanDerWaalsContact O-N 3.11Å; A280-A283 PolarHBondContact O-N 3.21Å |
| 281 | Q | 77.6 | Confident | 83.3 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -18.2 | 174.7 | 75.8 | -171.4 | 26 | 0 | 0 | 114.5 | E200 M204 F279 | E200-Q281 VanDerWaalsContact CG-OE1 3.24Å; M204-Q281 HydrophobicContact CE-CB 3.99Å; F279-Q281 HydrophobicContact CB-CG 3.93Å; F279-Q281 PolarHBondContact O-N 3.07Å |
| 282 | H | 77.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 11% | 0.111 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -116.8 | -2.4 | 178.6 | -56.7 | -53.1 | 0 | 0 | 0 | 113.5 | I251 E273 H275 F279 A280 N284 S285 | I251-H282 HydrophobicContact CD1-CB 3.67Å; I251-H282 HydrophobicContact CG1-CB 4.01Å; I251-H282 HydrophobicContact CG2-CB 4.21Å; E273-H282 IonicContact OE2-CE1 3.94Å; E273-H282 IonicContact OE2-NE2 3.34Å; H275-H282 AromaticContact CD2-CD2 3.65Å; H275-H282 AromaticContact CD2-NE2 3.7Å; H275-H282 AromaticContact NE2-CD2 3.65Å; H275-H282 AromaticContact NE2-NE2 3.18Å; H275-H282 PolarHBondContact NE2-NE2 3.49Å; H275-H282 VanDerWaalsContact NE2-NE2 3.18Å; F279-H282 WeakPolarHBondContact O-CA 3.44Å; F279-H282 PolarHBondContact O-N 2.66Å; A280-H282 PolarHBondContact O-N 3.26Å; A280-H282 VanDerWaalsContact O-N 3.11Å; H282-N284 PolarHBondContact O-N 3.3Å; H282-N284 VanDerWaalsContact O-N 3.17Å; H282-S285 WeakPolarHBondContact O-CB 3.48Å; H282-S285 PolarHBondContact O-N 2.97Å |
| 283 | A | 73.9 | Confident | 83.6 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -29.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F279 A280 | F279-A283 PolarHBondContact O-N 3.1Å; A280-A283 PolarHBondContact O-N 3.21Å |
| 284 | N | 75.4 | Confident | 83.6 | Confident | 168 Ų | 168 | 49.1 Ų | 49.1 | 90% | 0.898 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 4.7 | 174.7 | -66.9 | -22 | 0 | 0 | 0 | 113.8 | H282 | H282-N284 PolarHBondContact O-N 3.3Å; H282-N284 VanDerWaalsContact O-N 3.17Å |
| 285 | S | 78.1 | Confident | 83.5 | Confident | 49 Ų | 49 | 53 Ų | 53 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -99.9 | 159.4 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | H282 Y287 | H282-S285 WeakPolarHBondContact O-CB 3.48Å; H282-S285 PolarHBondContact O-N 2.97Å; S285-Y287 WeakPolarHBondContact O-CD1 3.44Å; S285-Y287 PolarHBondContact O-N 3.46Å |
| 286 | H | 82.3 | Confident | 83.7 | Confident | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 133.7 | 166.9 | -71 | -42.6 | 0 | 0 | 0 | 109.9 | Q252 | Q252-H286 HydrophobicContact CB-CB 4.21Å; Q252-H286 PolarHBondContact N-O 3.18Å |
| 287 | Y | 86.8 | Confident | 83.8 | Confident | 105 Ų | 105 | 53 Ų | 53 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 160.8 | 175.1 | 60.7 | -95.3 | 0 | 0 | 0 | 110.4 | Y249 I250 L278 S285 | Y249-Y287 HydrophobicContact CD1-CD2 4.06Å; Y249-Y287 HydrophobicContact CD1-CE2 4.46Å; Y249-Y287 HydrophobicContact CE1-CE2 4.47Å; I250-Y287 CarbonylContact O-C 3.56Å; I250-Y287 WeakPolarHBondContact O-CA 3.35Å; L278-Y287 HydrophobicContact CD1-CD1 3.75Å; L278-Y287 HydrophobicContact CD1-CE1 4.06Å; L278-Y287 HydrophobicContact CD1-CG 4.01Å; L278-Y287 HydrophobicContact CD2-CD1 4.29Å; L278-Y287 HydrophobicContact CD2-CE1 3.74Å; L278-Y287 HydrophobicContact CD2-CE2 4.21Å; S285-Y287 WeakPolarHBondContact O-CD1 3.44Å; S285-Y287 PolarHBondContact O-N 3.46Å |
| 288 | V | 87.8 | Confident | 84 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.7 | 166.7 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | Y249 I250 F290 | Y249-V288 WeakPolarHBondContact CA-O 3.34Å; I250-V288 PolarHBondContact N-O 3.35Å; I250-V288 PolarHBondContact O-N 2.83Å; V288-F290 HydrophobicContact CB-CE2 3.94Å; V288-F290 HydrophobicContact CB-CZ 4.43Å; V288-F290 HydrophobicContact CG1-CD2 4.21Å; V288-F290 HydrophobicContact CG1-CE2 3.47Å; V288-F290 VanDerWaalsContact CG1-CE2 3.47Å; V288-F290 HydrophobicContact CG1-CZ 3.67Å |
| 289 | E | 89.6 | Confident | 84.3 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 142.7 | -179.8 | -176.2 | -178.7 | -112.1 | 0 | 0 | 109.9 | K247 G248 Y249 | K247-E289 HydrophobicContact CB-CG 4.17Å; K247-E289 HydrophobicContact CD-CG 3.54Å; K247-E289 VanDerWaalsContact CD-OE1 3.24Å; K247-E289 WeakPolarHBondContact CD-OE1 3.48Å; K247-E289 HydrophobicContact CG-CG 4.49Å; K247-E289 IonicContact NZ-OE1 3.17Å; K247-E289 PolarHBondContact NZ-OE1 2.81Å; K247-E289 VanDerWaalsContact NZ-OE1 3.17Å; K247-E289 IonicContact NZ-OE2 2.66Å; K247-E289 PolarHBondContact NZ-OE2 3.5Å; G248-E289 CarbonylContact O-C 3.57Å; G248-E289 WeakPolarHBondContact O-CA 3.33Å; Y249-E289 HydrophobicContact CD1-CB 4.16Å; Y249-E289 HydrophobicContact CD1-CG 4.22Å; Y249-E289 HydrophobicContact CE1-CB 3.86Å; Y249-E289 HydrophobicContact CE1-CG 3.56Å; Y249-E289 VanDerWaalsContact CE1-OE1 3.32Å; Y249-E289 WeakPolarHBondContact CE1-OE1 3.33Å; Y249-E289 PolarHBondContact OH-OE1 2.84Å |
| 290 | F | 88.4 | Confident | 84.6 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.9 | 179.2 | -63.6 | -98.9 | 0 | 0 | 0 | 109.9 | K247 G248 I250 V288 T292 K295 A296 E299 | K247-F290 CarbonylContact C-O 3.53Å; K247-F290 VanDerWaalsContact CA-O 3.32Å; K247-F290 WeakPolarHBondContact CA-O 3.25Å; K247-F290 WeakPolarHBondContact CB-O 3.49Å; G248-F290 PolarHBondContact N-O 3.1Å; G248-F290 PolarHBondContact O-N 3.06Å; I250-F290 HydrophobicContact CB-CE2 4.18Å; I250-F290 HydrophobicContact CD1-CD2 4.27Å; I250-F290 HydrophobicContact CD1-CE2 3.36Å; I250-F290 HydrophobicContact CD1-CZ 3.65Å; I250-F290 HydrophobicContact CG1-CD2 4.19Å; I250-F290 HydrophobicContact CG1-CE2 3.6Å; I250-F290 HydrophobicContact CG1-CZ 4.39Å; V288-F290 HydrophobicContact CB-CE2 3.94Å; V288-F290 HydrophobicContact CB-CZ 4.43Å; V288-F290 HydrophobicContact CG1-CD2 4.21Å; V288-F290 HydrophobicContact CG1-CE2 3.47Å; V288-F290 VanDerWaalsContact CG1-CE2 3.47Å; V288-F290 HydrophobicContact CG1-CZ 3.67Å; F290-T292 PolarHBondContact O-N 3.1Å; F290-T292 VanDerWaalsContact O-N 3.1Å; F290-K295 HydrophobicContact CB-CB 4.41Å; F290-A296 HydrophobicContact CB-CB 4.11Å; F290-A296 HydrophobicContact CD2-CB 3.7Å; F290-A296 HydrophobicContact CE2-CB 4.4Å; F290-A296 HydrophobicContact CG-CB 4Å; F290-E299 HydrophobicContact CE1-CB 4.19Å; F290-E299 HydrophobicContact CE1-CG 3.98Å; F290-E299 HydrophobicContact CZ-CB 4.33Å; F290-E299 HydrophobicContact CZ-CG 3.84Å |
| 291 | D | 86.6 | Confident | 84.9 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 60% | 0.599 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -56.4 | -31.4 | -175.9 | -34.1 | -50.1 | 0 | 0 | 0 | 114 | K295 | D291-K295 IonicContact OD2-NZ 3.13Å; D291-K295 PolarHBondContact OD2-NZ 3.16Å |
| 292 | T | 87.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 26% | 0.258 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -138.2 | 159 | -179.3 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | E16 F290 K295 A296 | E16-T292 WeakPolarHBondContact OE1-CB 3.31Å; F290-T292 PolarHBondContact O-N 3.1Å; F290-T292 VanDerWaalsContact O-N 3.1Å; T292-K295 WeakPolarHBondContact OG1-CG 3.39Å; T292-K295 PolarHBondContact OG1-N 3.24Å; T292-A296 PolarHBondContact O-N 3.36Å |
| 293 | F | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.6 | -40.4 | 178 | -174.8 | -125.7 | 0 | 0 | 0 | 112.3 | D9 A12 V13 E16 F244 F274 P276 K295 A296 V297 | D9-F293 HydrophobicContact CB-CE1 3.91Å; D9-F293 HydrophobicContact CB-CZ 3.92Å; A12-F293 HydrophobicContact CB-CD1 3.91Å; A12-F293 HydrophobicContact CB-CE1 4.3Å; V13-F293 HydrophobicContact CG2-CD1 3.53Å; V13-F293 HydrophobicContact CG2-CE1 3.74Å; E16-F293 PolarHBondContact OE1-N 3.28Å; E16-F293 PolarHBondContact OE2-N 3.39Å; F244-F293 HydrophobicContact CE1-CB 3.91Å; F244-F293 HydrophobicContact CZ-CB 4.32Å; F274-F293 AromaticContact CD2-CE2 3.9Å; F274-F293 HydrophobicContact CD2-CE2 3.9Å; F274-F293 AromaticContact CD2-CZ 3.8Å; F274-F293 HydrophobicContact CD2-CZ 3.8Å; F274-F293 HydrophobicContact CE2-CZ 4.15Å; P276-F293 HydrophobicContact CB-CD1 4.27Å; P276-F293 HydrophobicContact CB-CD2 4.01Å; P276-F293 HydrophobicContact CB-CE1 4.43Å; P276-F293 HydrophobicContact CB-CE2 4.18Å; P276-F293 HydrophobicContact CB-CG 4.06Å; P276-F293 HydrophobicContact CB-CZ 4.38Å; P276-F293 HydrophobicContact CG-CZ 4.47Å; F293-K295 VanDerWaalsContact C-N 3.31Å; F293-K295 PolarHBondContact O-N 3.16Å; F293-A296 WeakPolarHBondContact O-CB 3.33Å; F293-A296 PolarHBondContact O-N 3.43Å; F293-A296 VanDerWaalsContact O-N 3.08Å; F293-V297 HydrophobicContact CD1-CG2 4.42Å; F293-V297 HydrophobicContact CD2-CG2 4.39Å; F293-V297 HydrophobicContact CE1-CG2 4.13Å; F293-V297 HydrophobicContact CE2-CG2 4.08Å; F293-V297 HydrophobicContact CZ-CG2 3.95Å; F293-V297 WeakPolarHBondContact O-CG2 3.13Å; F293-V297 PolarHBondContact O-N 2.82Å |
| 294 | D | 87.4 | Confident | 85.9 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.9 | -45 | 174.2 | -95.5 | -2.9 | 0 | 0 | 0 | 112.3 | E16 H59 S60 A296 V297 D298 | E16-D294 WeakPolarHBondContact OE2-CB 3.46Å; E16-D294 PolarHBondContact OE2-N 3.5Å; H59-D294 VanDerWaalsContact CA-OD1 3.22Å; H59-D294 WeakPolarHBondContact CA-OD1 3.28Å; H59-D294 WeakPolarHBondContact CB-OD1 3.27Å; S60-D294 WeakPolarHBondContact CA-OD2 3.37Å; S60-D294 WeakPolarHBondContact CB-OD2 3.46Å; S60-D294 VanDerWaalsContact N-CG 3.3Å; S60-D294 PolarHBondContact N-OD1 3.5Å; S60-D294 PolarHBondContact N-OD2 3.33Å; D294-A296 PolarHBondContact O-N 3.2Å; D294-V297 PolarHBondContact O-N 2.89Å; D294-D298 PolarHBondContact O-N 3.41Å |
| 295 | K | 87.4 | Confident | 85.9 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.3 | -75 | 178.6 | -173.3 | -174 | 0 | 112.5 | F290 D291 T292 F293 V297 D298 E299 | F290-K295 HydrophobicContact CB-CB 4.41Å; D291-K295 IonicContact OD2-NZ 3.13Å; D291-K295 PolarHBondContact OD2-NZ 3.16Å; T292-K295 WeakPolarHBondContact OG1-CG 3.39Å; T292-K295 PolarHBondContact OG1-N 3.24Å; F293-K295 VanDerWaalsContact C-N 3.31Å; F293-K295 PolarHBondContact O-N 3.16Å; K295-V297 VanDerWaalsContact C-N 3.31Å; K295-V297 PolarHBondContact O-N 3.3Å; K295-D298 PolarHBondContact O-N 3.49Å; K295-E299 WeakPolarHBondContact O-CB 3.46Å; K295-E299 PolarHBondContact O-N 3.29Å; K295-E299 VanDerWaalsContact O-N 3.08Å |
| 296 | A | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I250 F290 T292 F293 D294 F300 | I250-A296 VanDerWaalsContact CD1-O 3.28Å; I250-A296 WeakPolarHBondContact CD1-O 3.4Å; I250-A296 HydrophobicContact CG1-CB 4.06Å; F290-A296 HydrophobicContact CB-CB 4.11Å; F290-A296 HydrophobicContact CD2-CB 3.7Å; F290-A296 HydrophobicContact CE2-CB 4.4Å; F290-A296 HydrophobicContact CG-CB 4Å; T292-A296 PolarHBondContact O-N 3.36Å; F293-A296 WeakPolarHBondContact O-CB 3.33Å; F293-A296 PolarHBondContact O-N 3.43Å; F293-A296 VanDerWaalsContact O-N 3.08Å; D294-A296 PolarHBondContact O-N 3.2Å; A296-F300 VanDerWaalsContact O-CB 3.23Å; A296-F300 WeakPolarHBondContact O-CB 3.43Å; A296-F300 PolarHBondContact O-N 2.71Å; A296-F300 VanDerWaalsContact O-N 3.17Å |
| 297 | V | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.5 | -48.9 | 173.1 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | F5 H59 F274 F293 D294 K295 E299 F300 Y301 | F5-V297 HydrophobicContact CE1-CG1 3.94Å; F5-V297 HydrophobicContact CE1-CG2 4.26Å; F5-V297 HydrophobicContact CZ-CG1 3.88Å; F5-V297 HydrophobicContact CZ-CG2 3.95Å; H59-V297 HydrophobicContact CB-CG1 4.22Å; H59-V297 WeakPolarHBondContact CD2-CG1 3.44Å; F274-V297 HydrophobicContact CD2-CG2 3.89Å; F274-V297 HydrophobicContact CE2-CG2 4.14Å; F293-V297 HydrophobicContact CD1-CG2 4.42Å; F293-V297 HydrophobicContact CD2-CG2 4.39Å; F293-V297 HydrophobicContact CE1-CG2 4.13Å; F293-V297 HydrophobicContact CE2-CG2 4.08Å; F293-V297 HydrophobicContact CZ-CG2 3.95Å; F293-V297 WeakPolarHBondContact O-CG2 3.13Å; F293-V297 PolarHBondContact O-N 2.82Å; D294-V297 PolarHBondContact O-N 2.89Å; K295-V297 VanDerWaalsContact C-N 3.31Å; K295-V297 PolarHBondContact O-N 3.3Å; V297-E299 PolarHBondContact O-N 3.35Å; V297-F300 WeakPolarHBondContact O-CB 3.33Å; V297-F300 PolarHBondContact O-N 3.25Å; V297-Y301 HydrophobicContact CG1-CD2 3.71Å; V297-Y301 HydrophobicContact CG1-CE2 3.86Å; V297-Y301 WeakPolarHBondContact O-CD2 3.32Å; V297-Y301 PolarHBondContact O-N 3.14Å |
| 298 | D | 88.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | -174.1 | -157.2 | 20 | 0 | 0 | 0 | 111.6 | H59 T61 D62 F63 D294 K295 F300 Y301 S302 | H59-D298 IonicContact NE2-OD1 3.68Å; T61-D298 WeakPolarHBondContact CA-OD2 3.18Å; T61-D298 VanDerWaalsContact CB-OD2 3.31Å; T61-D298 WeakPolarHBondContact CB-OD2 3.38Å; T61-D298 PolarHBondContact OG1-OD1 2.67Å; T61-D298 PolarHBondContact OG1-OD2 3.45Å; D62-D298 PolarHBondContact N-OD2 2.86Å; F63-D298 HydrophobicContact CD2-CB 4.4Å; F63-D298 VanDerWaalsContact CD2-CG 3.46Å; F63-D298 VanDerWaalsContact CD2-OD2 3.24Å; F63-D298 WeakPolarHBondContact CD2-OD2 3.26Å; F63-D298 HydrophobicContact CE2-CB 4.42Å; D294-D298 PolarHBondContact O-N 3.41Å; K295-D298 PolarHBondContact O-N 3.49Å; D298-F300 PolarHBondContact O-N 2.82Å; D298-Y301 PolarHBondContact O-N 2.89Å; D298-S302 WeakPolarHBondContact O-CB 3.21Å; D298-S302 PolarHBondContact O-N 2.92Å |
| 299 | E | 87.7 | Confident | 85.2 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 173 | 174.1 | 72.8 | 144.6 | 0 | 0 | 112.7 | I250 Y271 F290 K295 V297 K303 | I250-E299 HydrophobicContact CD1-CB 4.35Å; I250-E299 HydrophobicContact CD1-CG 4.1Å; Y271-E299 HydrophobicContact CE2-CG 4.41Å; F290-E299 HydrophobicContact CE1-CB 4.19Å; F290-E299 HydrophobicContact CE1-CG 3.98Å; F290-E299 HydrophobicContact CZ-CB 4.33Å; F290-E299 HydrophobicContact CZ-CG 3.84Å; K295-E299 WeakPolarHBondContact O-CB 3.46Å; K295-E299 PolarHBondContact O-N 3.29Å; K295-E299 VanDerWaalsContact O-N 3.08Å; V297-E299 PolarHBondContact O-N 3.35Å; E299-K303 HydrophobicContact CG-CD 4.45Å; E299-K303 PolarHBondContact O-N 3.24Å; E299-K303 VanDerWaalsContact O-N 3.11Å; E299-K303 WeakPolarHBondContact OE1-CE 3.45Å; E299-K303 IonicContact OE1-NZ 2.63Å; E299-K303 PolarHBondContact OE1-NZ 3.49Å; E299-K303 WeakPolarHBondContact OE2-CE 3.41Å; E299-K303 IonicContact OE2-NZ 2.73Å |
| 300 | F | 89 | Confident | 84.8 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -50.4 | 177.6 | 177.7 | -85.6 | 0 | 0 | 0 | 111.7 | K2 I250 Y271 F274 A296 V297 D298 M304 | K2-F300 WeakPolarHBondContact O-CE1 3.5Å; K2-F300 WeakPolarHBondContact O-CZ 3.38Å; I250-F300 HydrophobicContact CD1-CB 4.11Å; I250-F300 HydrophobicContact CG2-CD2 4.13Å; Y271-F300 HydrophobicContact CD2-CD2 4.32Å; Y271-F300 HydrophobicContact CG-CD2 4.48Å; F274-F300 HydrophobicContact CB-CD2 4.26Å; F274-F300 HydrophobicContact CB-CG 4.41Å; F274-F300 AromaticContact CD1-CD1 3.61Å; F274-F300 HydrophobicContact CD1-CD1 3.61Å; F274-F300 AromaticContact CD1-CD2 3.95Å; F274-F300 HydrophobicContact CD1-CD2 3.95Å; F274-F300 AromaticContact CD1-CE1 3.67Å; F274-F300 HydrophobicContact CD1-CE1 3.67Å; F274-F300 HydrophobicContact CD1-CE2 4.01Å; F274-F300 AromaticContact CD1-CG 3.76Å; F274-F300 HydrophobicContact CD1-CG 3.76Å; F274-F300 AromaticContact CD1-CZ 3.88Å; F274-F300 HydrophobicContact CD1-CZ 3.88Å; F274-F300 AromaticContact CE1-CD1 3.98Å; F274-F300 HydrophobicContact CE1-CD1 3.98Å; F274-F300 AromaticContact CE1-CE1 3.83Å; F274-F300 HydrophobicContact CE1-CE1 3.83Å; F274-F300 HydrophobicContact CE1-CZ 4.3Å; F274-F300 HydrophobicContact CG-CG 4.42Å; A296-F300 VanDerWaalsContact O-CB 3.23Å; A296-F300 WeakPolarHBondContact O-CB 3.43Å; A296-F300 PolarHBondContact O-N 2.71Å; A296-F300 VanDerWaalsContact O-N 3.17Å; V297-F300 WeakPolarHBondContact O-CB 3.33Å; V297-F300 PolarHBondContact O-N 3.25Å; D298-F300 PolarHBondContact O-N 2.82Å; F300-M304 WeakPolarHBondContact O-CB 3.32Å; F300-M304 PolarHBondContact O-N 2.83Å; F300-M304 VanDerWaalsContact O-N 3.08Å |
| 301 | Y | 84.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.6 | -32.1 | -177.8 | -79.3 | -89.4 | 0 | 0 | 0 | 112.5 | F274 V297 D298 M304 | F274-Y301 HydrophobicContact CD1-CE2 4.42Å; F274-Y301 AromaticContact CE1-CE2 3.73Å; F274-Y301 HydrophobicContact CE1-CE2 3.73Å; F274-Y301 AromaticContact CZ-CE2 3.93Å; F274-Y301 HydrophobicContact CZ-CE2 3.93Å; V297-Y301 HydrophobicContact CG1-CD2 3.71Å; V297-Y301 HydrophobicContact CG1-CE2 3.86Å; V297-Y301 WeakPolarHBondContact O-CD2 3.32Å; V297-Y301 PolarHBondContact O-N 3.14Å; D298-Y301 PolarHBondContact O-N 2.89Å; Y301-M304 HydrophobicContact CD1-CE 3.67Å; Y301-M304 HydrophobicContact CD1-SD 4.18Å; Y301-M304 HydrophobicContact CE1-CE 4.19Å; Y301-M304 HydrophobicContact CE1-SD 4.33Å; Y301-M304 WeakPolarHBondContact O-CB 3.33Å; Y301-M304 PolarHBondContact O-N 3.42Å |
| 302 | S | 83.6 | Confident | 84.5 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.6 | -47 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | D298 | D298-S302 WeakPolarHBondContact O-CB 3.21Å; D298-S302 PolarHBondContact O-N 2.92Å |
| 303 | K | 83.3 | Confident | 84.3 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -80.8 | -15.3 | 179 | -74.8 | 171.1 | 173.1 | 173.6 | 0 | 114.7 | Y271 E299 E305 S306 Q307 | Y271-K303 HydrophobicContact CD2-CB 4.37Å; Y271-K303 HydrophobicContact CE2-CB 4.03Å; Y271-K303 HydrophobicContact CE2-CD 3.58Å; Y271-K303 HydrophobicContact CE2-CG 4.42Å; Y271-K303 WeakPolarHBondContact OH-CD 3.36Å; Y271-K303 PolarHBondContact OH-NZ 3.43Å; E299-K303 HydrophobicContact CG-CD 4.45Å; E299-K303 PolarHBondContact O-N 3.24Å; E299-K303 VanDerWaalsContact O-N 3.11Å; E299-K303 WeakPolarHBondContact OE1-CE 3.45Å; E299-K303 IonicContact OE1-NZ 2.63Å; E299-K303 PolarHBondContact OE1-NZ 3.49Å; E299-K303 WeakPolarHBondContact OE2-CE 3.41Å; E299-K303 IonicContact OE2-NZ 2.73Å; K303-E305 VanDerWaalsContact C-N 3.35Å; K303-E305 PolarHBondContact O-N 3.16Å; K303-S306 PolarHBondContact O-N 2.91Å; K303-Q307 WeakPolarHBondContact O-CG 3.48Å; K303-Q307 PolarHBondContact O-N 3.15Å |
| 304 | M | 82.6 | Confident | 84.2 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 26% | 0.256 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56 | -41.4 | -177.2 | -177.9 | -178.2 | 58.2 | 0 | 0 | 113.6 | F300 Y301 Q307 K308 | F300-M304 WeakPolarHBondContact O-CB 3.32Å; F300-M304 PolarHBondContact O-N 2.83Å; F300-M304 VanDerWaalsContact O-N 3.08Å; Y301-M304 HydrophobicContact CD1-CE 3.67Å; Y301-M304 HydrophobicContact CD1-SD 4.18Å; Y301-M304 HydrophobicContact CE1-CE 4.19Å; Y301-M304 HydrophobicContact CE1-SD 4.33Å; Y301-M304 WeakPolarHBondContact O-CB 3.33Å; Y301-M304 PolarHBondContact O-N 3.42Å; M304-Q307 PolarHBondContact O-N 2.64Å; M304-K308 VanDerWaalsContact O-CB 3.27Å; M304-K308 WeakPolarHBondContact O-CB 3.24Å; M304-K308 PolarHBondContact O-N 3.34Å |
| 305 | E | 76.1 | Confident | 84.1 | Confident | 138 Ų | 138 | 49.8 Ų | 49.8 | 65% | 0.645 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.1 | -43.6 | 179.7 | -68.4 | -127.4 | 123.2 | 0 | 0 | 111.8 | K303 K308 I309 | K303-E305 VanDerWaalsContact C-N 3.35Å; K303-E305 PolarHBondContact O-N 3.16Å; E305-K308 WeakPolarHBondContact O-CB 3.43Å; E305-K308 PolarHBondContact O-N 3.13Å; E305-I309 PolarHBondContact O-N 3.46Å |
| 306 | S | 77.1 | Confident | 83.9 | Confident | 51 Ų | 51 | 50 Ų | 50 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 176.5 | -77.2 | 0 | 0 | 0 | 0 | 111.8 | K303 K308 I309 D310 | K303-S306 PolarHBondContact O-N 2.91Å; S306-K308 VanDerWaalsContact C-N 3.28Å; S306-K308 PolarHBondContact O-N 2.92Å; S306-I309 WeakPolarHBondContact O-CB 3.5Å; S306-I309 PolarHBondContact O-N 3.34Å; S306-I309 VanDerWaalsContact O-N 3.1Å; S306-D310 PolarHBondContact O-N 3.32Å; S306-D310 VanDerWaalsContact O-N 3.1Å |
| 307 | Q | 83.1 | Confident | 83.8 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -32.9 | 178.1 | -67.6 | 178.3 | 10.9 | 0 | 0 | 112.3 | M1 Y271 K303 M304 I309 D310 V311 | M1-Q307 HydrophobicContact CE-CB 4.13Å; Y271-Q307 VanDerWaalsContact CD2-NE2 3.31Å; K303-Q307 WeakPolarHBondContact O-CG 3.48Å; K303-Q307 PolarHBondContact O-N 3.15Å; M304-Q307 PolarHBondContact O-N 2.64Å; Q307-I309 VanDerWaalsContact C-N 3.29Å; Q307-I309 PolarHBondContact O-N 3.29Å; Q307-D310 PolarHBondContact O-N 3.01Å; Q307-V311 WeakPolarHBondContact O-CB 3.38Å; Q307-V311 WeakPolarHBondContact O-CG2 3.2Å; Q307-V311 PolarHBondContact O-N 3.41Å |
| 308 | K | 81.2 | Confident | 83.7 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 61% | 0.609 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.6 | -27 | 175.4 | -172.6 | 177.4 | -177.5 | 178.9 | 0 | 112.9 | M304 E305 S306 K312 | M304-K308 VanDerWaalsContact O-CB 3.27Å; M304-K308 WeakPolarHBondContact O-CB 3.24Å; M304-K308 PolarHBondContact O-N 3.34Å; E305-K308 WeakPolarHBondContact O-CB 3.43Å; E305-K308 PolarHBondContact O-N 3.13Å; S306-K308 VanDerWaalsContact C-N 3.28Å; S306-K308 PolarHBondContact O-N 2.92Å; K308-K312 WeakPolarHBondContact O-CB 3.48Å |
| 309 | I | 78.4 | Confident | 83.7 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73 | -47.6 | 168.4 | -56 | 169.9 | 0 | 0 | 0 | 109.4 | E305 S306 Q307 K312 A313 T513 K517 | E305-I309 PolarHBondContact O-N 3.46Å; S306-I309 WeakPolarHBondContact O-CB 3.5Å; S306-I309 PolarHBondContact O-N 3.34Å; S306-I309 VanDerWaalsContact O-N 3.1Å; Q307-I309 VanDerWaalsContact C-N 3.29Å; Q307-I309 PolarHBondContact O-N 3.29Å; I309-K312 WeakPolarHBondContact O-CB 3.32Å; I309-K312 PolarHBondContact O-N 2.75Å; I309-K312 VanDerWaalsContact O-N 3.16Å; I309-A313 PolarHBondContact O-N 3.48Å; I309-T513 HydrophobicContact CG2-CG2 3.96Å; I309-K517 HydrophobicContact CD1-CG 4.26Å |
| 310 | D | 81.6 | Confident | 83.5 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | -178.4 | -64.4 | -42.6 | 0 | 0 | 0 | 113 | L268 S306 Q307 K312 A313 L314 K517 | L268-D310 HydrophobicContact CD1-CB 4.49Å; L268-D310 HydrophobicContact CD2-CB 3.9Å; S306-D310 PolarHBondContact O-N 3.32Å; S306-D310 VanDerWaalsContact O-N 3.1Å; Q307-D310 PolarHBondContact O-N 3.01Å; D310-K312 PolarHBondContact O-N 3.27Å; D310-A313 WeakPolarHBondContact O-CB 3.45Å; D310-A313 PolarHBondContact O-N 3.08Å; D310-A313 VanDerWaalsContact O-N 3.14Å; D310-L314 VanDerWaalsContact O-CB 3.26Å; D310-L314 WeakPolarHBondContact O-CB 3.36Å; D310-L314 PolarHBondContact O-N 2.79Å; D310-K517 WeakPolarHBondContact OD1-CE 3.49Å; D310-K517 IonicContact OD1-NZ 3.14Å; D310-K517 PolarHBondContact OD1-NZ 3.42Å; D310-K517 WeakPolarHBondContact OD2-CE 3.21Å; D310-K517 IonicContact OD2-NZ 2.76Å; D310-K517 PolarHBondContact OD2-NZ 2.87Å |
| 311 | V | 84.5 | Confident | 83.4 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 176 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | M1 T270 Q307 Q315 | M1-V311 HydrophobicContact CE-CG2 4.32Å; T270-V311 HydrophobicContact CG2-CG2 4.12Å; Q307-V311 WeakPolarHBondContact O-CB 3.38Å; Q307-V311 WeakPolarHBondContact O-CG2 3.2Å; Q307-V311 PolarHBondContact O-N 3.41Å; V311-Q315 WeakPolarHBondContact O-CB 3.07Å; V311-Q315 PolarHBondContact O-N 2.91Å |
| 312 | K | 84 | Confident | 83.7 | Confident | 120 Ų | 120 | 65.5 Ų | 65.5 | 52% | 0.522 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.9 | -40.1 | 175.7 | -175.9 | -174.5 | 174.9 | -168.5 | 0 | 112 | K308 I309 D310 Q315 Q316 | K308-K312 WeakPolarHBondContact O-CB 3.48Å; I309-K312 WeakPolarHBondContact O-CB 3.32Å; I309-K312 PolarHBondContact O-N 2.75Å; I309-K312 VanDerWaalsContact O-N 3.16Å; D310-K312 PolarHBondContact O-N 3.27Å; K312-Q315 PolarHBondContact O-N 2.98Å; K312-Q316 WeakPolarHBondContact O-CG 3.15Å; K312-Q316 PolarHBondContact O-N 2.94Å; K312-Q316 VanDerWaalsContact O-N 3.08Å |
| 313 | A | 83.3 | Confident | 83.9 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -52.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I309 D310 Q315 Q316 E317 V509 T513 | I309-A313 PolarHBondContact O-N 3.48Å; D310-A313 WeakPolarHBondContact O-CB 3.45Å; D310-A313 PolarHBondContact O-N 3.08Å; D310-A313 VanDerWaalsContact O-N 3.14Å; A313-Q315 VanDerWaalsContact C-N 3.26Å; A313-Q315 PolarHBondContact O-N 3.17Å; A313-Q316 CarbonylContact O-C 3.5Å; A313-Q316 WeakPolarHBondContact O-CA 3.31Å; A313-Q316 VanDerWaalsContact O-CB 3.31Å; A313-Q316 WeakPolarHBondContact O-CB 3.49Å; A313-Q316 PolarHBondContact O-N 3.09Å; A313-E317 WeakPolarHBondContact O-CG 3.42Å; A313-E317 PolarHBondContact O-N 3.34Å; A313-V509 HydrophobicContact CB-CG1 3.75Å; A313-T513 HydrophobicContact CB-CG2 4.39Å; A313-T513 WeakPolarHBondContact CB-OG1 3.4Å |
| 314 | L | 85.8 | Confident | 84 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -34.8 | 177.4 | -164.4 | 159.7 | 0 | 0 | 0 | 111.8 | E255 K257 L268 D310 E317 K318 | E255-L314 HydrophobicContact CB-CD1 4.14Å; E255-L314 WeakPolarHBondContact OE2-CD2 3.23Å; K257-L314 HydrophobicContact CG-CD1 4.25Å; L268-L314 HydrophobicContact CB-CD1 4.37Å; L268-L314 HydrophobicContact CD2-CD1 3.69Å; D310-L314 VanDerWaalsContact O-CB 3.26Å; D310-L314 WeakPolarHBondContact O-CB 3.36Å; D310-L314 PolarHBondContact O-N 2.79Å; L314-E317 PolarHBondContact O-N 3.28Å; L314-K318 HydrophobicContact CD2-CD 3.63Å; L314-K318 HydrophobicContact CD2-CG 4.14Å; L314-K318 WeakPolarHBondContact O-CB 3.44Å; L314-K318 WeakPolarHBondContact O-CG 3.42Å; L314-K318 PolarHBondContact O-N 2.87Å |
| 315 | Q | 86 | Confident | 84.3 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 170.2 | -167.1 | -175 | 41.2 | 0 | 0 | 112.7 | V311 K312 A313 Q319 | V311-Q315 WeakPolarHBondContact O-CB 3.07Å; V311-Q315 PolarHBondContact O-N 2.91Å; K312-Q315 PolarHBondContact O-N 2.98Å; A313-Q315 VanDerWaalsContact C-N 3.26Å; A313-Q315 PolarHBondContact O-N 3.17Å; Q315-Q319 WeakPolarHBondContact O-CB 3.32Å; Q315-Q319 VanDerWaalsContact O-CG 3.28Å; Q315-Q319 WeakPolarHBondContact O-CG 3.28Å; Q315-Q319 PolarHBondContact O-N 2.82Å |
| 316 | Q | 84.5 | Confident | 85 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 41% | 0.407 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 174 | -69.2 | 175.4 | -18.7 | 0 | 0 | 111.7 | K312 A313 Q319 A320 V509 | K312-Q316 WeakPolarHBondContact O-CG 3.15Å; K312-Q316 PolarHBondContact O-N 2.94Å; K312-Q316 VanDerWaalsContact O-N 3.08Å; A313-Q316 CarbonylContact O-C 3.5Å; A313-Q316 WeakPolarHBondContact O-CA 3.31Å; A313-Q316 VanDerWaalsContact O-CB 3.31Å; A313-Q316 WeakPolarHBondContact O-CB 3.49Å; A313-Q316 PolarHBondContact O-N 3.09Å; Q316-Q319 PolarHBondContact O-N 3.29Å; Q316-A320 PolarHBondContact O-N 3.45Å; Q316-V509 HydrophobicContact CB-CG1 4.5Å; Q316-V509 HydrophobicContact CB-CG2 4.22Å |
| 317 | E | 85.8 | Confident | 85.5 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 172.9 | -60.2 | -173.3 | 138.9 | 0 | 0 | 111.2 | P258 A313 L314 Q319 A320 L321 L506 V509 Q510 | P258-E317 HydrophobicContact CG-CB 4.24Å; A313-E317 WeakPolarHBondContact O-CG 3.42Å; A313-E317 PolarHBondContact O-N 3.34Å; L314-E317 PolarHBondContact O-N 3.28Å; E317-Q319 PolarHBondContact O-N 3.28Å; E317-A320 PolarHBondContact O-N 2.97Å; E317-L321 PolarHBondContact O-N 2.84Å; E317-L506 HydrophobicContact CB-CD2 3.57Å; E317-L506 HydrophobicContact CG-CD2 3.54Å; E317-V509 HydrophobicContact CG-CG1 4.32Å; E317-Q510 PolarHBondContact OE1-NE2 3.06Å |
| 318 | K | 87.6 | Confident | 85.7 | Confident | 95 Ų | 95 | 70 Ų | 70 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.7 | -37.3 | 173.5 | -75.9 | 175.4 | 174.1 | 163.3 | 0 | 112.1 | E255 P258 L314 K322 | E255-K318 IonicContact OE2-NZ 2.82Å; E255-K318 PolarHBondContact OE2-NZ 2.81Å; P258-K318 HydrophobicContact CG-CG 4.03Å; L314-K318 HydrophobicContact CD2-CD 3.63Å; L314-K318 HydrophobicContact CD2-CG 4.14Å; L314-K318 WeakPolarHBondContact O-CB 3.44Å; L314-K318 WeakPolarHBondContact O-CG 3.42Å; L314-K318 PolarHBondContact O-N 2.87Å; K318-K322 WeakPolarHBondContact O-CB 3.1Å; K318-K322 PolarHBondContact O-N 2.74Å; K318-K322 VanDerWaalsContact O-N 3.14Å |
| 319 | Q | 87.5 | Confident | 86.1 | Confident | 101 Ų | 101 | 69 Ų | 69 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.5 | -32.2 | 175.7 | -76.2 | 179.5 | 31.2 | 0 | 0 | 114 | Q315 Q316 E317 K323 | Q315-Q319 WeakPolarHBondContact O-CB 3.32Å; Q315-Q319 VanDerWaalsContact O-CG 3.28Å; Q315-Q319 WeakPolarHBondContact O-CG 3.28Å; Q315-Q319 PolarHBondContact O-N 2.82Å; Q316-Q319 PolarHBondContact O-N 3.29Å; E317-Q319 PolarHBondContact O-N 3.28Å; Q319-K323 WeakPolarHBondContact O-CG 3.24Å; Q319-K323 PolarHBondContact O-N 2.91Å |
| 320 | A | 84.7 | Confident | 86.5 | Confident | 12 Ų | 12 | 70 Ų | 70 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q316 E317 K323 L324 T502 L506 | Q316-A320 PolarHBondContact O-N 3.45Å; E317-A320 PolarHBondContact O-N 2.97Å; A320-K323 WeakPolarHBondContact O-CB 3.34Å; A320-K323 PolarHBondContact O-N 3.45Å; A320-L324 PolarHBondContact O-N 3.43Å; A320-T502 HydrophobicContact CB-CG2 4.21Å; A320-L506 HydrophobicContact CB-CD2 4.4Å |
| 321 | L | 86.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177.5 | -65.4 | 167.8 | 0 | 0 | 0 | 112.1 | P258 L260 E317 K323 L324 D325 T502 L506 | P258-L321 HydrophobicContact CB-CD1 3.58Å; P258-L321 HydrophobicContact CG-CD1 3.87Å; P258-L321 WeakPolarHBondContact O-CD1 3.49Å; L260-L321 HydrophobicContact CD2-CD2 3.6Å; L260-L321 HydrophobicContact CG-CD2 4.03Å; E317-L321 PolarHBondContact O-N 2.84Å; L321-K323 PolarHBondContact O-N 3.3Å; L321-K323 VanDerWaalsContact O-N 3.09Å; L321-L324 WeakPolarHBondContact O-CA 3.4Å; L321-L324 WeakPolarHBondContact O-CB 3.37Å; L321-L324 PolarHBondContact O-N 3.06Å; L321-D325 PolarHBondContact O-N 2.72Å; L321-T502 HydrophobicContact CD2-CG2 4.11Å; L321-L506 HydrophobicContact CD2-CD1 4.48Å |
| 322 | K | 89.8 | Confident | 86.9 | Confident | 136 Ų | 136 | 70.9 Ų | 70.9 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.2 | -25.7 | 176.1 | -171.8 | 168.9 | -176.2 | 171.7 | 0 | 113.6 | K318 N326 | K318-K322 WeakPolarHBondContact O-CB 3.1Å; K318-K322 PolarHBondContact O-N 2.74Å; K318-K322 VanDerWaalsContact O-N 3.14Å; K322-N326 WeakPolarHBondContact O-CB 3.14Å; K322-N326 PolarHBondContact O-N 3.14Å; K322-N326 VanDerWaalsContact O-N 3.11Å; K322-N326 PolarHBondContact O-ND2 3.02Å; K322-N326 PolarHBondContact O-OD1 2.79Å |
| 323 | K | 87.4 | Confident | 87.2 | Confident | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -72.4 | -41.9 | 171.5 | -68.3 | 163.3 | -173.1 | 171.4 | 0 | 111.5 | Q319 A320 L321 N326 V327 | Q319-K323 WeakPolarHBondContact O-CG 3.24Å; Q319-K323 PolarHBondContact O-N 2.91Å; A320-K323 WeakPolarHBondContact O-CB 3.34Å; A320-K323 PolarHBondContact O-N 3.45Å; L321-K323 PolarHBondContact O-N 3.3Å; L321-K323 VanDerWaalsContact O-N 3.09Å; K323-N326 PolarHBondContact O-N 3.35Å; K323-V327 WeakPolarHBondContact O-CG2 3.46Å; K323-V327 PolarHBondContact O-N 3.08Å |
| 324 | L | 86.6 | Confident | 87.3 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.8 | -172.1 | 63.3 | 0 | 0 | 0 | 111.1 | A320 L321 N326 V327 K328 F495 A498 E499 | A320-L324 PolarHBondContact O-N 3.43Å; L321-L324 WeakPolarHBondContact O-CA 3.4Å; L321-L324 WeakPolarHBondContact O-CB 3.37Å; L321-L324 PolarHBondContact O-N 3.06Å; L324-N326 VanDerWaalsContact C-N 3.34Å; L324-N326 PolarHBondContact O-N 3.38Å; L324-V327 PolarHBondContact O-N 2.75Å; L324-K328 PolarHBondContact O-N 3.04Å; L324-F495 HydrophobicContact CD1-CD2 4.15Å; L324-F495 HydrophobicContact CD1-CE2 3.87Å; L324-F495 HydrophobicContact CD1-CZ 4.4Å; L324-F495 HydrophobicContact CD2-CZ 4.5Å; L324-F495 HydrophobicContact CG-CE2 4.08Å; L324-A498 HydrophobicContact CD1-CB 3.77Å; L324-E499 HydrophobicContact CD1-CB 4.5Å |
| 325 | D | 88.6 | Confident | 87.4 | Confident | 80 Ų | 80 | 77 Ų | 77 | 43% | 0.428 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 175.8 | -64.9 | -37 | 0 | 0 | 0 | 113.1 | L321 K328 R329 | L321-D325 PolarHBondContact O-N 2.72Å; D325-K328 PolarHBondContact O-N 3.06Å; D325-R329 WeakPolarHBondContact O-CB 3.23Å; D325-R329 PolarHBondContact O-N 2.83Å; D325-R329 PolarHBondContact O-NE 3.46Å; D325-R329 PolarHBondContact O-NH2 2.99Å |
| 326 | N | 90.1 | Very high | 87.6 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 174.6 | -77.5 | -13.4 | 0 | 0 | 0 | 111.1 | K322 K323 L324 R329 D330 | K322-N326 WeakPolarHBondContact O-CB 3.14Å; K322-N326 PolarHBondContact O-N 3.14Å; K322-N326 VanDerWaalsContact O-N 3.11Å; K322-N326 PolarHBondContact O-ND2 3.02Å; K322-N326 PolarHBondContact O-OD1 2.79Å; K323-N326 PolarHBondContact O-N 3.35Å; L324-N326 VanDerWaalsContact C-N 3.34Å; L324-N326 PolarHBondContact O-N 3.38Å; N326-R329 PolarHBondContact O-N 3.3Å; N326-R329 VanDerWaalsContact OD1-CZ 3.31Å; N326-R329 PolarHBondContact OD1-NH1 3.29Å; N326-R329 PolarHBondContact OD1-NH2 3.01Å; N326-D330 WeakPolarHBondContact O-CB 3.32Å; N326-D330 PolarHBondContact O-N 2.71Å |
| 327 | V | 87.7 | Confident | 87.9 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | K323 L324 D330 H331 | K323-V327 WeakPolarHBondContact O-CG2 3.46Å; K323-V327 PolarHBondContact O-N 3.08Å; L324-V327 PolarHBondContact O-N 2.75Å; V327-D330 PolarHBondContact O-N 3.11Å; V327-H331 PolarHBondContact O-CD2 2.94Å; V327-H331 PolarHBondContact O-N 3.42Å |
| 328 | K | 87.6 | Confident | 88 | Confident | 122 Ų | 122 | 75.7 Ų | 75.7 | 53% | 0.53 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.5 | -171.9 | 176.5 | 179.1 | 179.8 | 0 | 111.9 | L324 D325 H331 V332 F495 | L324-K328 PolarHBondContact O-N 3.04Å; D325-K328 PolarHBondContact O-N 3.06Å; K328-H331 PolarHBondContact O-N 3.05Å; K328-V332 WeakPolarHBondContact O-CG2 3.42Å; K328-V332 PolarHBondContact O-N 2.86Å; K328-F495 HydrophobicContact CB-CE2 4.34Å; K328-F495 HydrophobicContact CD-CE2 4.28Å; K328-F495 HydrophobicContact CG-CE2 4.48Å |
| 329 | R | 89.4 | Confident | 88.1 | Confident | 119 Ų | 119 | 75.8 Ų | 75.8 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 178.5 | -85.1 | 179.5 | -82.6 | 96.2 | 2.1 | 113.4 | D325 N326 V332 Q333 | D325-R329 WeakPolarHBondContact O-CB 3.23Å; D325-R329 PolarHBondContact O-N 2.83Å; D325-R329 PolarHBondContact O-NE 3.46Å; D325-R329 PolarHBondContact O-NH2 2.99Å; N326-R329 PolarHBondContact O-N 3.3Å; N326-R329 VanDerWaalsContact OD1-CZ 3.31Å; N326-R329 PolarHBondContact OD1-NH1 3.29Å; N326-R329 PolarHBondContact OD1-NH2 3.01Å; R329-V332 PolarHBondContact O-N 3.42Å; R329-Q333 WeakPolarHBondContact O-CB 3.31Å; R329-Q333 WeakPolarHBondContact O-CG 3.45Å; R329-Q333 PolarHBondContact O-N 2.68Å |
| 330 | D | 87.9 | Confident | 88.1 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.9 | -179.5 | 22.6 | 0 | 0 | 0 | 111.1 | N326 V327 Q333 R334 | N326-D330 WeakPolarHBondContact O-CB 3.32Å; N326-D330 PolarHBondContact O-N 2.71Å; V327-D330 PolarHBondContact O-N 3.11Å; D330-Q333 PolarHBondContact O-N 3.39Å; D330-R334 VanDerWaalsContact CG-NH2 3.32Å; D330-R334 VanDerWaalsContact O-CG 3.23Å; D330-R334 WeakPolarHBondContact O-CG 3.17Å; D330-R334 PolarHBondContact O-N 3.28Å; D330-R334 IonicContact OD1-CZ 3.5Å; D330-R334 IonicContact OD1-NE 2.65Å; D330-R334 PolarHBondContact OD1-NE 3.37Å; D330-R334 IonicContact OD1-NH2 2.8Å; D330-R334 PolarHBondContact OD1-NH2 3.14Å; D330-R334 IonicContact OD2-CZ 2.83Å; D330-R334 IonicContact OD2-NE 3.49Å; D330-R334 IonicContact OD2-NH2 2.74Å; D330-R334 PolarHBondContact OD2-NH2 3.33Å |
| 331 | H | 85.8 | Confident | 88.3 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 17% | 0.167 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.9 | -77.9 | -65.2 | 0 | 0 | 0 | 113.3 | V327 K328 R334 L335 A491 | V327-H331 PolarHBondContact O-CD2 2.94Å; V327-H331 PolarHBondContact O-N 3.42Å; K328-H331 PolarHBondContact O-N 3.05Å; H331-R334 PolarHBondContact O-N 3.17Å; H331-L335 WeakPolarHBondContact O-CG 3.41Å; H331-L335 PolarHBondContact O-N 3.22Å; H331-A491 HydrophobicContact CB-CB 4.01Å; H331-A491 WeakPolarHBondContact ND1-CB 3.31Å |
| 332 | V | 88.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 39% | 0.394 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | K328 R329 R334 L335 E336 | K328-V332 WeakPolarHBondContact O-CG2 3.42Å; K328-V332 PolarHBondContact O-N 2.86Å; R329-V332 PolarHBondContact O-N 3.42Å; V332-R334 VanDerWaalsContact C-N 3.3Å; V332-R334 PolarHBondContact O-N 3.48Å; V332-L335 PolarHBondContact O-N 3.24Å; V332-L335 VanDerWaalsContact O-N 3.11Å; V332-E336 HydrophobicContact CG1-CG 4.31Å; V332-E336 WeakPolarHBondContact CG1-OE1 3.25Å; V332-E336 WeakPolarHBondContact O-CG 3.33Å; V332-E336 PolarHBondContact O-N 3.02Å |
| 333 | Q | 89.8 | Confident | 88.3 | Confident | 123 Ų | 123 | 76 Ų | 76 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.7 | -34 | 179.1 | -73.1 | 176.7 | -12.5 | 0 | 0 | 112.9 | R329 D330 A337 | R329-Q333 WeakPolarHBondContact O-CB 3.31Å; R329-Q333 WeakPolarHBondContact O-CG 3.45Å; R329-Q333 PolarHBondContact O-N 2.68Å; D330-Q333 PolarHBondContact O-N 3.39Å; Q333-A337 VanDerWaalsContact O-CB 3.3Å; Q333-A337 WeakPolarHBondContact O-CB 3.31Å; Q333-A337 PolarHBondContact O-N 3.4Å |
| 334 | R | 86.4 | Confident | 88.4 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 173.1 | -69.6 | 170 | -166.6 | -147.4 | 11.4 | 112.5 | D330 H331 V332 A337 L338 | D330-R334 VanDerWaalsContact CG-NH2 3.32Å; D330-R334 VanDerWaalsContact O-CG 3.23Å; D330-R334 WeakPolarHBondContact O-CG 3.17Å; D330-R334 PolarHBondContact O-N 3.28Å; D330-R334 IonicContact OD1-CZ 3.5Å; D330-R334 IonicContact OD1-NE 2.65Å; D330-R334 PolarHBondContact OD1-NE 3.37Å; D330-R334 IonicContact OD1-NH2 2.8Å; D330-R334 PolarHBondContact OD1-NH2 3.14Å; D330-R334 IonicContact OD2-CZ 2.83Å; D330-R334 IonicContact OD2-NE 3.49Å; D330-R334 IonicContact OD2-NH2 2.74Å; D330-R334 PolarHBondContact OD2-NH2 3.33Å; H331-R334 PolarHBondContact O-N 3.17Å; V332-R334 VanDerWaalsContact C-N 3.3Å; V332-R334 PolarHBondContact O-N 3.48Å; R334-A337 PolarHBondContact O-N 3.45Å; R334-L338 WeakPolarHBondContact O-CG 3.36Å; R334-L338 PolarHBondContact O-N 3.46Å |
| 335 | L | 87.6 | Confident | 88.6 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.5 | -46.3 | 176.4 | -69.1 | 169.4 | 0 | 0 | 0 | 111 | H331 V332 A337 L338 H339 E484 T487 V488 | H331-L335 WeakPolarHBondContact O-CG 3.41Å; H331-L335 PolarHBondContact O-N 3.22Å; V332-L335 PolarHBondContact O-N 3.24Å; V332-L335 VanDerWaalsContact O-N 3.11Å; L335-A337 VanDerWaalsContact C-N 3.28Å; L335-A337 PolarHBondContact O-N 3.18Å; L335-L338 PolarHBondContact O-N 2.73Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L335-H339 WeakPolarHBondContact O-CB 3.31Å; L335-H339 PolarHBondContact O-N 2.85Å; L335-E484 HydrophobicContact CD2-CG 3.9Å; L335-T487 HydrophobicContact CD2-CG2 3.75Å; L335-T487 HydrophobicContact CG-CG2 4.27Å; L335-V488 HydrophobicContact CD1-CG2 4Å; L335-V488 HydrophobicContact CD2-CG2 3.59Å; L335-V488 HydrophobicContact CG-CG2 4.48Å |
| 336 | E | 90.1 | Very high | 88.6 | Confident | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.2 | -42.2 | 172.8 | -72.6 | 173 | -177.1 | 0 | 0 | 112 | V332 Q340 | V332-E336 HydrophobicContact CG1-CG 4.31Å; V332-E336 WeakPolarHBondContact CG1-OE1 3.25Å; V332-E336 WeakPolarHBondContact O-CG 3.33Å; V332-E336 PolarHBondContact O-N 3.02Å; E336-Q340 WeakPolarHBondContact O-CB 3.3Å; E336-Q340 WeakPolarHBondContact O-CG 3.36Å; E336-Q340 PolarHBondContact O-N 3.22Å |
| 337 | A | 89.6 | Confident | 88.6 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q333 R334 L335 L341 | Q333-A337 VanDerWaalsContact O-CB 3.3Å; Q333-A337 WeakPolarHBondContact O-CB 3.31Å; Q333-A337 PolarHBondContact O-N 3.4Å; R334-A337 PolarHBondContact O-N 3.45Å; L335-A337 VanDerWaalsContact C-N 3.28Å; L335-A337 PolarHBondContact O-N 3.18Å; A337-L341 WeakPolarHBondContact O-CB 3.3Å; A337-L341 PolarHBondContact O-N 3.13Å |
| 338 | L | 89 | Confident | 88.7 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 174.9 | -75 | 170.8 | 0 | 0 | 0 | 111.7 | R334 L335 L341 Q342 K483 E484 T487 | R334-L338 WeakPolarHBondContact O-CG 3.36Å; R334-L338 PolarHBondContact O-N 3.46Å; L335-L338 PolarHBondContact O-N 2.73Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L338-L341 PolarHBondContact O-N 3.45Å; L338-Q342 WeakPolarHBondContact O-CB 3.41Å; L338-Q342 PolarHBondContact O-N 2.97Å; L338-K483 HydrophobicContact CD2-CB 4.34Å; L338-E484 HydrophobicContact CB-CB 4.4Å; L338-E484 HydrophobicContact CD1-CB 4.43Å; L338-T487 HydrophobicContact CD1-CG2 4.35Å |
| 339 | H | 88.9 | Confident | 88.8 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.2 | -176.9 | -61.5 | 0 | 0 | 0 | 111.7 | L335 L341 Q342 E343 | L335-H339 WeakPolarHBondContact O-CB 3.31Å; L335-H339 PolarHBondContact O-N 2.85Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 2.88Å; H339-Q342 PolarHBondContact O-N 2.79Å; H339-E343 WeakPolarHBondContact O-CB 3.34Å; H339-E343 PolarHBondContact O-N 3.23Å |
| 340 | Q | 88.6 | Confident | 88.8 | Confident | 108 Ų | 108 | 57.3 Ų | 57.3 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 173.5 | -76.7 | 171.6 | 34.7 | 0 | 0 | 111.9 | E336 E343 V344 | E336-Q340 WeakPolarHBondContact O-CB 3.3Å; E336-Q340 WeakPolarHBondContact O-CG 3.36Å; E336-Q340 PolarHBondContact O-N 3.22Å; Q340-E343 PolarHBondContact O-N 2.91Å; Q340-V344 WeakPolarHBondContact O-CB 3.46Å; Q340-V344 WeakPolarHBondContact O-CG2 3.28Å; Q340-V344 PolarHBondContact O-N 3.42Å |
| 341 | L | 87.6 | Confident | 88.9 | Confident | 84 Ų | 84 | 54.7 Ų | 54.7 | 44% | 0.44 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 175.6 | -177.7 | 63.2 | 0 | 0 | 0 | 112 | A337 L338 H339 E343 V344 D345 | A337-L341 WeakPolarHBondContact O-CB 3.3Å; A337-L341 PolarHBondContact O-N 3.13Å; L338-L341 PolarHBondContact O-N 3.45Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 2.88Å; L341-E343 VanDerWaalsContact C-N 3.29Å; L341-E343 PolarHBondContact O-N 3.01Å; L341-V344 PolarHBondContact O-N 2.94Å; L341-D345 PolarHBondContact O-N 3.3Å |
| 342 | Q | 89.4 | Confident | 89 | Confident | 40 Ų | 40 | 53 Ų | 53 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 174.8 | -175.6 | -159.8 | 41.3 | 0 | 0 | 111.6 | L338 H339 R346 K477 A480 | L338-Q342 WeakPolarHBondContact O-CB 3.41Å; L338-Q342 PolarHBondContact O-N 2.97Å; H339-Q342 PolarHBondContact O-N 2.79Å; Q342-R346 WeakPolarHBondContact O-CB 3.48Å; Q342-R346 PolarHBondContact O-N 3.07Å; Q342-K477 HydrophobicContact CG-CG 3.74Å; Q342-A480 HydrophobicContact CB-CB 4.1Å |
| 343 | E | 87.9 | Confident | 89 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.7 | -40.8 | 179 | -179 | 65 | 173.5 | 0 | 0 | 112.4 | H339 Q340 L341 R346 L347 P450 | H339-E343 WeakPolarHBondContact O-CB 3.34Å; H339-E343 PolarHBondContact O-N 3.23Å; Q340-E343 PolarHBondContact O-N 2.91Å; L341-E343 VanDerWaalsContact C-N 3.29Å; L341-E343 PolarHBondContact O-N 3.01Å; E343-R346 VanDerWaalsContact CD-NH2 3.29Å; E343-R346 WeakPolarHBondContact O-CB 3.34Å; E343-R346 PolarHBondContact O-N 3.08Å; E343-R346 IonicContact OE1-CZ 2.75Å; E343-R346 IonicContact OE1-NE 2.86Å; E343-R346 IonicContact OE1-NH2 2.69Å; E343-R346 PolarHBondContact OE1-NH2 3.38Å; E343-R346 IonicContact OE2-CZ 2.86Å; E343-R346 IonicContact OE2-NE 3.97Å; E343-R346 PolarHBondContact OE2-NE 3.02Å; E343-R346 IonicContact OE2-NH2 2.67Å; E343-R346 PolarHBondContact OE2-NH2 3.19Å; E343-L347 HydrophobicContact CG-CD1 4.38Å; E343-L347 WeakPolarHBondContact O-CG 3.33Å; E343-L347 PolarHBondContact O-N 3Å; E343-P450 HydrophobicContact CG-CG 4.24Å |
| 344 | V | 89.7 | Confident | 88.9 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 24% | 0.242 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.7 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | Q340 L341 R346 L347 R348 M456 | Q340-V344 WeakPolarHBondContact O-CB 3.46Å; Q340-V344 WeakPolarHBondContact O-CG2 3.28Å; Q340-V344 PolarHBondContact O-N 3.42Å; L341-V344 PolarHBondContact O-N 2.94Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-L347 PolarHBondContact O-N 3.38Å; V344-R348 WeakPolarHBondContact O-CD 3.44Å; V344-R348 VanDerWaalsContact O-CG 3.25Å; V344-R348 WeakPolarHBondContact O-CG 3.42Å; V344-R348 PolarHBondContact O-N 3.01Å; V344-M456 HydrophobicContact CG1-SD 4.32Å |
| 345 | D | 90.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72 | -27.1 | 177.5 | -73.6 | -16 | 0 | 0 | 0 | 112.4 | L341 R348 G349 Y473 | L341-D345 PolarHBondContact O-N 3.3Å; D345-R348 WeakPolarHBondContact OD1-CD 3.31Å; D345-R348 IonicContact OD1-CZ 2.68Å; D345-R348 IonicContact OD1-NH1 3.01Å; D345-R348 PolarHBondContact OD1-NH1 2.86Å; D345-G349 PolarHBondContact O-N 2.88Å; D345-G349 VanDerWaalsContact O-N 3.1Å; D345-Y473 HydrophobicContact CB-CD1 4.21Å |
| 346 | R | 89.8 | Confident | 89.1 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -54.5 | 166.3 | 179.5 | -179 | 77.9 | 72.9 | 13 | 111 | Q342 E343 V344 R348 G349 E350 K477 | Q342-R346 WeakPolarHBondContact O-CB 3.48Å; Q342-R346 PolarHBondContact O-N 3.07Å; E343-R346 VanDerWaalsContact CD-NH2 3.29Å; E343-R346 WeakPolarHBondContact O-CB 3.34Å; E343-R346 PolarHBondContact O-N 3.08Å; E343-R346 IonicContact OE1-CZ 2.75Å; E343-R346 IonicContact OE1-NE 2.86Å; E343-R346 IonicContact OE1-NH2 2.69Å; E343-R346 PolarHBondContact OE1-NH2 3.38Å; E343-R346 IonicContact OE2-CZ 2.86Å; E343-R346 IonicContact OE2-NE 3.97Å; E343-R346 PolarHBondContact OE2-NE 3.02Å; E343-R346 IonicContact OE2-NH2 2.67Å; E343-R346 PolarHBondContact OE2-NH2 3.19Å; V344-R346 VanDerWaalsContact C-N 3.34Å; R346-R348 VanDerWaalsContact C-N 3.27Å; R346-R348 PolarHBondContact O-N 3.08Å; R346-G349 PolarHBondContact O-N 3.02Å; R346-E350 WeakPolarHBondContact CD-OE1 3.43Å; R346-E350 WeakPolarHBondContact CG-OE1 3.38Å; R346-E350 IonicContact CZ-OE1 3.52Å; R346-E350 IonicContact CZ-OE2 2.65Å; R346-E350 IonicContact NE-OE1 2.77Å; R346-E350 IonicContact NH1-OE1 3.25Å; R346-E350 PolarHBondContact NH1-OE1 3.3Å; R346-E350 IonicContact NH1-OE2 2.83Å; R346-E350 PolarHBondContact NH1-OE2 3.5Å; R346-E350 WeakPolarHBondContact O-CG 3.44Å; R346-E350 PolarHBondContact O-N 3.3Å; R346-K477 HydrophobicContact CB-CD 3.93Å; R346-K477 HydrophobicContact CG-CD 4.26Å |
| 347 | L | 89.5 | Confident | 89.1 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -32.9 | -178.6 | -70 | 170.4 | 0 | 0 | 0 | 112.5 | E343 V344 L351 P450 K452 M456 | E343-L347 HydrophobicContact CG-CD1 4.38Å; E343-L347 WeakPolarHBondContact O-CG 3.33Å; E343-L347 PolarHBondContact O-N 3Å; V344-L347 PolarHBondContact O-N 3.38Å; L347-L351 WeakPolarHBondContact O-CB 3.46Å; L347-L351 VanDerWaalsContact O-CG 3.32Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 3.28Å; L347-P450 HydrophobicContact CD1-CB 3.83Å; L347-P450 HydrophobicContact CD1-CG 3.64Å; L347-K452 HydrophobicContact CD2-CG 4.14Å; L347-M456 HydrophobicContact CB-CE 3.76Å; L347-M456 HydrophobicContact CD1-CE 3.92Å; L347-M456 HydrophobicContact CG-CE 4.5Å |
| 348 | R | 89.6 | Confident | 89 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 172.8 | -74.4 | 164.4 | 163 | 173.8 | -7.2 | 112.9 | V344 D345 R346 L351 V352 M456 V458 Y473 | V344-R348 WeakPolarHBondContact O-CD 3.44Å; V344-R348 VanDerWaalsContact O-CG 3.25Å; V344-R348 WeakPolarHBondContact O-CG 3.42Å; V344-R348 PolarHBondContact O-N 3.01Å; D345-R348 WeakPolarHBondContact OD1-CD 3.31Å; D345-R348 IonicContact OD1-CZ 2.68Å; D345-R348 IonicContact OD1-NH1 3.01Å; D345-R348 PolarHBondContact OD1-NH1 2.86Å; R346-R348 VanDerWaalsContact C-N 3.27Å; R346-R348 PolarHBondContact O-N 3.08Å; R348-L351 PolarHBondContact O-N 3.26Å; R348-V352 VanDerWaalsContact O-CG2 3.32Å; R348-V352 WeakPolarHBondContact O-CG2 3.43Å; R348-V352 PolarHBondContact O-N 3.24Å; R348-M456 HydrophobicContact CG-SD 3.84Å; R348-V458 HydrophobicContact CB-CG1 4.04Å; R348-V458 HydrophobicContact CG-CG1 4.08Å; R348-V458 HydrophobicContact CG-CG2 4.09Å; R348-Y473 HydrophobicContact CB-CD1 3.95Å; R348-Y473 HydrophobicContact CB-CD2 4.05Å; R348-Y473 HydrophobicContact CB-CE1 4.11Å; R348-Y473 HydrophobicContact CB-CE2 4.17Å; R348-Y473 HydrophobicContact CB-CG 3.93Å; R348-Y473 HydrophobicContact CG-CE1 4.42Å |
| 349 | G | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -51.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D345 R346 L351 V352 E353 | D345-G349 PolarHBondContact O-N 2.88Å; D345-G349 VanDerWaalsContact O-N 3.1Å; R346-G349 PolarHBondContact O-N 3.02Å; G349-L351 PolarHBondContact O-N 2.94Å; G349-V352 PolarHBondContact O-N 2.97Å; G349-E353 PolarHBondContact O-N 3.39Å |
| 350 | E | 89.4 | Confident | 89.2 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 179.4 | -68.8 | 167.1 | -169.2 | 0 | 0 | 112 | R346 V352 E353 I354 Y474 | R346-E350 WeakPolarHBondContact CD-OE1 3.43Å; R346-E350 WeakPolarHBondContact CG-OE1 3.38Å; R346-E350 IonicContact CZ-OE1 3.52Å; R346-E350 IonicContact CZ-OE2 2.65Å; R346-E350 IonicContact NE-OE1 2.77Å; R346-E350 IonicContact NH1-OE1 3.25Å; R346-E350 PolarHBondContact NH1-OE1 3.3Å; R346-E350 IonicContact NH1-OE2 2.83Å; R346-E350 PolarHBondContact NH1-OE2 3.5Å; R346-E350 WeakPolarHBondContact O-CG 3.44Å; R346-E350 PolarHBondContact O-N 3.3Å; E350-V352 PolarHBondContact O-N 2.97Å; E350-E353 PolarHBondContact O-N 3.19Å; E350-I354 WeakPolarHBondContact O-CB 3.35Å; E350-I354 WeakPolarHBondContact O-CD1 3.42Å; E350-I354 WeakPolarHBondContact O-CG1 3.33Å; E350-I354 PolarHBondContact O-N 3.3Å; E350-Y474 WeakPolarHBondContact CG-OH 3.31Å |
| 351 | L | 88.7 | Confident | 89.2 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -32.4 | 176.2 | -77.9 | 170.8 | 0 | 0 | 0 | 113.5 | L347 R348 G349 N355 L411 M456 | L347-L351 WeakPolarHBondContact O-CB 3.46Å; L347-L351 VanDerWaalsContact O-CG 3.32Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 3.28Å; R348-L351 PolarHBondContact O-N 3.26Å; G349-L351 PolarHBondContact O-N 2.94Å; L351-N355 WeakPolarHBondContact O-CB 3.3Å; L351-N355 PolarHBondContact O-N 3.23Å; L351-N355 PolarHBondContact O-ND2 3.03Å; L351-L411 HydrophobicContact CB-CB 4.08Å; L351-L411 HydrophobicContact CB-CD1 4.32Å; L351-M456 HydrophobicContact CD1-CB 3.56Å |
| 352 | V | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.7 | -41.3 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | R348 G349 E350 I354 N355 L356 L411 V458 A466 A470 | R348-V352 VanDerWaalsContact O-CG2 3.32Å; R348-V352 WeakPolarHBondContact O-CG2 3.43Å; R348-V352 PolarHBondContact O-N 3.24Å; G349-V352 PolarHBondContact O-N 2.97Å; E350-V352 PolarHBondContact O-N 2.97Å; V352-I354 PolarHBondContact O-N 3.42Å; V352-N355 CarbonylContact O-C 3.31Å; V352-N355 PolarHBondContact O-N 3.23Å; V352-L356 HydrophobicContact CG1-CD2 4.39Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 2.91Å; V352-L411 HydrophobicContact CG2-CD1 3.77Å; V352-V458 HydrophobicContact CG2-CG1 3.81Å; V352-A466 WeakPolarHBondContact CG1-O 3.35Å; V352-A470 HydrophobicContact CB-CB 4.16Å; V352-A470 HydrophobicContact CG1-CB 3.91Å |
| 353 | E | 88 | Confident | 89.2 | Confident | 81 Ų | 81 | 36.2 Ų | 36.2 | 38% | 0.379 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.9 | -73.8 | -180 | 145.2 | 0 | 0 | 112.6 | G349 E350 N355 L356 A470 Y474 | G349-E353 PolarHBondContact O-N 3.39Å; E350-E353 PolarHBondContact O-N 3.19Å; E353-N355 VanDerWaalsContact C-N 3.3Å; E353-N355 PolarHBondContact O-N 3.14Å; E353-L356 VanDerWaalsContact O-CD1 3.32Å; E353-L356 WeakPolarHBondContact O-CD1 3.39Å; E353-L356 VanDerWaalsContact O-CG 3.29Å; E353-L356 WeakPolarHBondContact O-CG 3.43Å; E353-A470 HydrophobicContact CG-CB 3.73Å; E353-Y474 VanDerWaalsContact CD-CE2 3.49Å; E353-Y474 HydrophobicContact CG-CE2 4.43Å; E353-Y474 WeakPolarHBondContact OE1-CE2 3.32Å; E353-Y474 VanDerWaalsContact OE2-CE2 3.29Å; E353-Y474 WeakPolarHBondContact OE2-CE2 3.16Å; E353-Y474 PolarHBondContact OE2-OH 2.88Å |
| 354 | I | 88.6 | Confident | 89.3 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 29% | 0.292 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -29.4 | 176.2 | -71.1 | 166.3 | 0 | 0 | 0 | 112 | E350 V352 P414 Y415 | E350-I354 WeakPolarHBondContact O-CB 3.35Å; E350-I354 WeakPolarHBondContact O-CD1 3.42Å; E350-I354 WeakPolarHBondContact O-CG1 3.33Å; E350-I354 PolarHBondContact O-N 3.3Å; V352-I354 PolarHBondContact O-N 3.42Å; I354-P414 HydrophobicContact CG2-CG 4.17Å; I354-Y415 HydrophobicContact CG2-CD2 4.15Å; I354-Y415 HydrophobicContact CG2-CE2 4.16Å |
| 355 | N | 89.1 | Confident | 89.2 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 17 | -174.2 | -67.1 | -87.6 | 0 | 0 | 0 | 114.6 | L351 V352 E353 P357 I358 V359 L411 K412 | L351-N355 WeakPolarHBondContact O-CB 3.3Å; L351-N355 PolarHBondContact O-N 3.23Å; L351-N355 PolarHBondContact O-ND2 3.03Å; V352-N355 CarbonylContact O-C 3.31Å; V352-N355 PolarHBondContact O-N 3.23Å; E353-N355 VanDerWaalsContact C-N 3.3Å; E353-N355 PolarHBondContact O-N 3.14Å; N355-P357 VanDerWaalsContact C-N 3.32Å; N355-P357 VanDerWaalsContact O-N 3.1Å; N355-I358 PolarHBondContact O-N 3.04Å; N355-V359 HydrophobicContact CB-CG2 4.27Å; N355-V359 PolarHBondContact O-N 3.25Å; N355-L411 HydrophobicContact CB-CD1 4.49Å; N355-L411 HydrophobicContact CB-CD2 4.06Å; N355-K412 PolarHBondContact ND2-O 3.19Å; N355-K412 PolarHBondContact OD1-O 3.42Å |
| 356 | L | 89.1 | Confident | 89 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -45.1 | -44.4 | -175.7 | -66.6 | 163 | 0 | 0 | 0 | 114.7 | V352 E353 I358 V359 E360 A466 Y467 | V352-L356 HydrophobicContact CG1-CD2 4.39Å; V352-L356 WeakPolarHBondContact O-CG 3.45Å; V352-L356 PolarHBondContact O-N 2.91Å; E353-L356 VanDerWaalsContact O-CD1 3.32Å; E353-L356 WeakPolarHBondContact O-CD1 3.39Å; E353-L356 VanDerWaalsContact O-CG 3.29Å; E353-L356 WeakPolarHBondContact O-CG 3.43Å; L356-I358 PolarHBondContact O-N 3.1Å; L356-V359 PolarHBondContact O-N 3.3Å; L356-E360 PolarHBondContact O-N 2.87Å; L356-A466 HydrophobicContact CD2-CB 3.57Å; L356-Y467 HydrophobicContact CD1-CD1 4.22Å; L356-Y467 HydrophobicContact CD1-CD2 4.19Å; L356-Y467 HydrophobicContact CD1-CE1 3.66Å; L356-Y467 HydrophobicContact CD1-CE2 3.63Å; L356-Y467 HydrophobicContact CD1-CG 4.47Å; L356-Y467 HydrophobicContact CD2-CD1 4.35Å; L356-Y467 HydrophobicContact CD2-CD2 4.16Å; L356-Y467 HydrophobicContact CD2-CE2 4.42Å; L356-Y467 HydrophobicContact CD2-CG 4.13Å |
| 357 | P | 89 | Confident | 89 | Confident | 88 Ų | 88 | 44 Ų | 44 | 57% | 0.571 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -70.4 | -16.3 | -178.6 | -18.3 | 33.6 | 0 | 0 | 0 | 114.4 | N355 R361 | N355-P357 VanDerWaalsContact C-N 3.32Å; N355-P357 VanDerWaalsContact O-N 3.1Å; P357-R361 PolarHBondContact O-NE 3.41Å; P357-R361 PolarHBondContact O-NH2 2.93Å |
| 358 | I | 88.5 | Confident | 89 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 23% | 0.226 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -89.6 | -44 | 174.1 | -55.6 | 176.5 | 0 | 0 | 0 | 108.9 | N355 L356 R361 A362 V393 A396 M409 | N355-I358 PolarHBondContact O-N 3.04Å; L356-I358 PolarHBondContact O-N 3.1Å; I358-R361 PolarHBondContact O-N 3.3Å; I358-A362 PolarHBondContact O-N 3Å; I358-V393 HydrophobicContact CG2-CG2 4.47Å; I358-A396 HydrophobicContact CG2-CB 4.11Å; I358-M409 HydrophobicContact CG2-CE 4.13Å |
| 359 | V | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 112 | N355 L356 R361 A362 L363 M409 L411 V460 A466 | N355-V359 HydrophobicContact CB-CG2 4.27Å; N355-V359 PolarHBondContact O-N 3.25Å; L356-V359 PolarHBondContact O-N 3.3Å; V359-R361 VanDerWaalsContact C-N 3.35Å; V359-R361 PolarHBondContact O-N 2.82Å; V359-A362 PolarHBondContact O-N 3.26Å; V359-L363 HydrophobicContact CG1-CD1 4.1Å; V359-L363 WeakPolarHBondContact O-CB 3.2Å; V359-L363 WeakPolarHBondContact O-CG 3.48Å; V359-L363 PolarHBondContact O-N 3.35Å; V359-M409 HydrophobicContact CB-SD 4.39Å; V359-M409 HydrophobicContact CG1-SD 4.28Å; V359-M409 HydrophobicContact CG2-CE 4.41Å; V359-M409 HydrophobicContact CG2-SD 4.11Å; V359-L411 HydrophobicContact CG2-CD1 4.14Å; V359-L411 HydrophobicContact CG2-CD2 4.06Å; V359-V460 HydrophobicContact CG1-CB 4.5Å; V359-V460 HydrophobicContact CG1-CG1 3.65Å; V359-V460 HydrophobicContact CG1-CG2 4.08Å; V359-A466 HydrophobicContact CB-CB 3.95Å; V359-A466 HydrophobicContact CG1-CB 3.69Å |
| 360 | E | 90.6 | Very high | 88.6 | Confident | 63 Ų | 63 | 47 Ų | 47 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69 | -32.8 | 179.5 | -161.4 | 68.7 | -124.1 | 0 | 0 | 112.2 | L356 L363 Q364 R367 S465 A466 | L356-E360 PolarHBondContact O-N 2.87Å; E360-L363 PolarHBondContact O-N 2.95Å; E360-Q364 WeakPolarHBondContact O-CB 3.49Å; E360-Q364 PolarHBondContact O-N 3.21Å; E360-R367 IonicContact OE1-NH1 3.6Å; E360-R367 PolarHBondContact OE1-NH1 3.29Å; E360-S465 WeakPolarHBondContact OE2-CA 3.49Å; E360-S465 WeakPolarHBondContact OE2-CB 3.5Å; E360-A466 HydrophobicContact CB-CB 4.22Å; E360-A466 WeakPolarHBondContact OE2-CB 3.34Å; E360-A466 PolarHBondContact OE2-N 3.38Å |
| 361 | R | 89.1 | Confident | 88.6 | Confident | 129 Ų | 129 | 48 Ų | 48 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 172.3 | -78.6 | -172.9 | -70 | 166.1 | 0 | 112 | P357 I358 V359 L363 Q364 V365 V393 | P357-R361 PolarHBondContact O-NE 3.41Å; P357-R361 PolarHBondContact O-NH2 2.93Å; I358-R361 PolarHBondContact O-N 3.3Å; V359-R361 VanDerWaalsContact C-N 3.35Å; V359-R361 PolarHBondContact O-N 2.82Å; R361-L363 VanDerWaalsContact C-N 3.34Å; R361-L363 PolarHBondContact O-N 3.09Å; R361-Q364 PolarHBondContact O-N 3.1Å; R361-V365 WeakPolarHBondContact O-CG2 3.39Å; R361-V365 PolarHBondContact O-N 2.82Å; R361-V393 HydrophobicContact CB-CG1 4.34Å; R361-V393 HydrophobicContact CB-CG2 4.25Å |
| 362 | A | 88.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I358 V359 V366 V393 I397 M409 | I358-A362 PolarHBondContact O-N 3Å; V359-A362 PolarHBondContact O-N 3.26Å; A362-V366 WeakPolarHBondContact O-CG2 3.48Å; A362-V366 PolarHBondContact O-N 2.91Å; A362-V366 VanDerWaalsContact O-N 3.12Å; A362-V393 HydrophobicContact CB-CG1 3.72Å; A362-I397 HydrophobicContact CB-CD1 4.07Å; A362-I397 HydrophobicContact CB-CG1 4.27Å; A362-M409 HydrophobicContact CB-CE 3.54Å; A362-M409 HydrophobicContact CB-SD 3.79Å |
| 363 | L | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.6 | -75.2 | 167.4 | 0 | 0 | 0 | 111.8 | V359 E360 R361 R367 I407 V460 D461 L462 L464 A466 | V359-L363 HydrophobicContact CG1-CD1 4.1Å; V359-L363 WeakPolarHBondContact O-CB 3.2Å; V359-L363 WeakPolarHBondContact O-CG 3.48Å; V359-L363 PolarHBondContact O-N 3.35Å; E360-L363 PolarHBondContact O-N 2.95Å; R361-L363 VanDerWaalsContact C-N 3.34Å; R361-L363 PolarHBondContact O-N 3.09Å; L363-R367 WeakPolarHBondContact O-CB 3.12Å; L363-R367 WeakPolarHBondContact O-CD 3.19Å; L363-R367 WeakPolarHBondContact O-CG 3.19Å; L363-R367 PolarHBondContact O-N 2.81Å; L363-I407 HydrophobicContact CD2-CD1 4.2Å; L363-V460 HydrophobicContact CD1-CG1 3.99Å; L363-V460 HydrophobicContact CD2-CG1 3.9Å; L363-V460 HydrophobicContact CG-CG1 4.09Å; L363-D461 WeakPolarHBondContact CD2-O 3.35Å; L363-L462 HydrophobicContact CD2-CD2 4.14Å; L363-L464 WeakPolarHBondContact CD1-O 3.33Å; L363-A466 HydrophobicContact CD1-CB 4.37Å |
| 364 | Q | 89.4 | Confident | 88.3 | Confident | 131 Ų | 131 | 60 Ų | 60 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.1 | -44.2 | -179.3 | -171.6 | 177.1 | 7.7 | 0 | 0 | 112.7 | E360 R361 R367 S368 | E360-Q364 WeakPolarHBondContact O-CB 3.49Å; E360-Q364 PolarHBondContact O-N 3.21Å; R361-Q364 PolarHBondContact O-N 3.1Å; Q364-R367 PolarHBondContact O-N 3.46Å; Q364-S368 PolarHBondContact O-N 3.04Å; Q364-S368 PolarHBondContact O-OG 2.91Å |
| 365 | V | 88 | Confident | 88.2 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | R361 S368 A369 | R361-V365 WeakPolarHBondContact O-CG2 3.39Å; R361-V365 PolarHBondContact O-N 2.82Å; V365-S368 PolarHBondContact O-N 3.37Å; V365-S368 PolarHBondContact O-OG 3.11Å; V365-A369 PolarHBondContact O-N 3.47Å |
| 366 | V | 86.4 | Confident | 88 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.7 | -33.7 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | A362 L370 I397 L402 I407 L462 | A362-V366 WeakPolarHBondContact O-CG2 3.48Å; A362-V366 PolarHBondContact O-N 2.91Å; A362-V366 VanDerWaalsContact O-N 3.12Å; V366-L370 HydrophobicContact CG1-CD1 4.07Å; V366-L370 WeakPolarHBondContact O-CB 3.34Å; V366-L370 VanDerWaalsContact O-CG 3.3Å; V366-L370 WeakPolarHBondContact O-CG 3.44Å; V366-L370 PolarHBondContact O-N 3.45Å; V366-L370 VanDerWaalsContact O-N 3.08Å; V366-I397 HydrophobicContact CG2-CD1 4.45Å; V366-L402 HydrophobicContact CG1-CD2 3.93Å; V366-I407 HydrophobicContact CB-CD1 4.4Å; V366-I407 HydrophobicContact CG2-CD1 4.25Å; V366-L462 HydrophobicContact CB-CD2 3.8Å; V366-L462 HydrophobicContact CG1-CD1 3.99Å; V366-L462 HydrophobicContact CG1-CD2 3.6Å; V366-L462 HydrophobicContact CG1-CG 4.47Å |
| 367 | R | 88.6 | Confident | 87.8 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 171.9 | -79.6 | 170.6 | -178.4 | 144.4 | 7.5 | 112.8 | E360 L363 Q364 L370 A371 L462 L464 | E360-R367 IonicContact OE1-NH1 3.6Å; E360-R367 PolarHBondContact OE1-NH1 3.29Å; L363-R367 WeakPolarHBondContact O-CB 3.12Å; L363-R367 WeakPolarHBondContact O-CD 3.19Å; L363-R367 WeakPolarHBondContact O-CG 3.19Å; L363-R367 PolarHBondContact O-N 2.81Å; Q364-R367 PolarHBondContact O-N 3.46Å; R367-L370 PolarHBondContact O-N 3.28Å; R367-A371 WeakPolarHBondContact O-CB 3.41Å; R367-A371 PolarHBondContact O-N 3.14Å; R367-L462 PolarHBondContact NE-O 3.43Å; R367-L462 PolarHBondContact NH2-O 2.91Å; R367-L464 PolarHBondContact NH2-O 3.33Å |
| 368 | S | 89.5 | Confident | 87.6 | Confident | 60 Ų | 60 | 70 Ų | 70 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | -179.3 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | Q364 V365 A371 N372 | Q364-S368 PolarHBondContact O-N 3.04Å; Q364-S368 PolarHBondContact O-OG 2.91Å; V365-S368 PolarHBondContact O-N 3.37Å; V365-S368 PolarHBondContact O-OG 3.11Å; S368-A371 PolarHBondContact O-N 3.44Å; S368-N372 WeakPolarHBondContact O-CB 3.32Å; S368-N372 PolarHBondContact O-N 2.8Å; S368-N372 PolarHBondContact O-ND2 3.46Å |
| 369 | A | 86.2 | Confident | 87.4 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | V365 N372 Q373 V374 I379 | V365-A369 PolarHBondContact O-N 3.47Å; A369-N372 PolarHBondContact O-N 3.04Å; A369-Q373 PolarHBondContact O-N 2.8Å; A369-V374 WeakPolarHBondContact O-CB 3.18Å; A369-V374 WeakPolarHBondContact O-CG2 3.45Å; A369-V374 PolarHBondContact O-N 3.01Å; A369-I379 HydrophobicContact CB-CD1 3.99Å; A369-I379 HydrophobicContact CB-CG1 3.95Å |
| 370 | L | 86.3 | Confident | 87.1 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 175.1 | -71.6 | 168.9 | 0 | 0 | 0 | 112.8 | V366 R367 N372 Q373 I379 L462 | V366-L370 HydrophobicContact CG1-CD1 4.07Å; V366-L370 WeakPolarHBondContact O-CB 3.34Å; V366-L370 VanDerWaalsContact O-CG 3.3Å; V366-L370 WeakPolarHBondContact O-CG 3.44Å; V366-L370 PolarHBondContact O-N 3.45Å; V366-L370 VanDerWaalsContact O-N 3.08Å; R367-L370 PolarHBondContact O-N 3.28Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-N372 PolarHBondContact O-N 2.93Å; L370-Q373 PolarHBondContact O-N 3.47Å; L370-Q373 VanDerWaalsContact O-N 3.12Å; L370-I379 HydrophobicContact CD2-CD1 3.72Å; L370-I379 HydrophobicContact CG-CD1 4Å; L370-L462 HydrophobicContact CD1-CD1 4.09Å |
| 371 | A | 87.6 | Confident | 86.8 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66 | -33.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R367 S368 Q373 | R367-A371 WeakPolarHBondContact O-CB 3.41Å; R367-A371 PolarHBondContact O-N 3.14Å; S368-A371 PolarHBondContact O-N 3.44Å; A371-Q373 PolarHBondContact O-N 3.28Å |
| 372 | N | 89.3 | Confident | 86.6 | Confident | 126 Ų | 126 | 70 Ų | 70 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 6.3 | 173.6 | -67.7 | -11.2 | 0 | 0 | 0 | 113.6 | S368 A369 L370 V374 | S368-N372 WeakPolarHBondContact O-CB 3.32Å; S368-N372 PolarHBondContact O-N 2.8Å; S368-N372 PolarHBondContact O-ND2 3.46Å; A369-N372 PolarHBondContact O-N 3.04Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-N372 PolarHBondContact O-N 2.93Å; N372-V374 HydrophobicContact CB-CG2 4.12Å; N372-V374 PolarHBondContact O-N 3.09Å |
| 373 | Q | 83.9 | Confident | 86.5 | Confident | 181 Ų | 181 | 70.8 Ų | 70.8 | 85% | 0.846 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 25.1 | 177.9 | -50.9 | -178.8 | 27.6 | 0 | 0 | 114.9 | A369 L370 A371 | A369-Q373 PolarHBondContact O-N 2.8Å; L370-Q373 PolarHBondContact O-N 3.47Å; L370-Q373 VanDerWaalsContact O-N 3.12Å; A371-Q373 PolarHBondContact O-N 3.28Å |
| 374 | V | 87.1 | Confident | 86.3 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | trans | -66.5 | 138 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | A369 N372 E378 I379 I382 | A369-V374 WeakPolarHBondContact O-CB 3.18Å; A369-V374 WeakPolarHBondContact O-CG2 3.45Å; A369-V374 PolarHBondContact O-N 3.01Å; N372-V374 HydrophobicContact CB-CG2 4.12Å; N372-V374 PolarHBondContact O-N 3.09Å; V374-E378 HydrophobicContact CG1-CB 3.62Å; V374-I379 HydrophobicContact CB-CD1 4.45Å; V374-I379 HydrophobicContact CB-CG1 4.07Å; V374-I379 HydrophobicContact CG1-CG1 3.8Å; V374-I382 HydrophobicContact CG1-CD1 4.17Å | ||
| 375 | D | 87.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | trans | -68.7 | 152.1 | -177.2 | 179.5 | 59.1 | 0 | 0 | 0 | 112.6 | A377 E378 I379 | D375-A377 PolarHBondContact O-N 3.03Å; D375-A377 VanDerWaalsContact OD2-CB 3.22Å; D375-A377 WeakPolarHBondContact OD2-CB 3.46Å; D375-A377 PolarHBondContact OD2-N 3.45Å; D375-E378 HydrophobicContact CB-CG 4.25Å; D375-E378 PolarHBondContact N-OE2 3.26Å; D375-E378 WeakPolarHBondContact O-CB 3.23Å; D375-E378 PolarHBondContact O-N 3.47Å; D375-I379 WeakPolarHBondContact O-CG1 3.33Å; D375-I379 PolarHBondContact O-N 3.11Å | ||
| 376 | W | 84.8 | Confident | 86 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 49% | 0.489 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 179.4 | -64.1 | -10.9 | 0 | 0 | 0 | 113.8 | G380 L402 Q403 | W376-G380 PolarHBondContact O-N 2.87Å; W376-L402 HydrophobicContact CB-CD1 3.96Å; W376-L402 HydrophobicContact CD2-CB 4.23Å; W376-L402 HydrophobicContact CG-CB 4.16Å; W376-L402 HydrophobicContact CG-CD1 3.85Å; W376-Q403 HydrophobicContact CE3-CG 4.09Å; W376-Q403 HydrophobicContact CH2-CG 4.02Å; W376-Q403 HydrophobicContact CZ3-CG 3.5Å |
| 377 | A | 84.7 | Confident | 86 | Confident | 64 Ų | 64 | 78.8 Ų | 78.8 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D375 G380 L381 | D375-A377 PolarHBondContact O-N 3.03Å; D375-A377 VanDerWaalsContact OD2-CB 3.22Å; D375-A377 WeakPolarHBondContact OD2-CB 3.46Å; D375-A377 PolarHBondContact OD2-N 3.45Å; A377-G380 WeakPolarHBondContact O-CA 3.4Å; A377-G380 PolarHBondContact O-N 2.99Å; A377-L381 PolarHBondContact O-N 3.27Å |
| 378 | E | 83.9 | Confident | 85.9 | Confident | 106 Ų | 106 | 79.4 Ų | 79.4 | 50% | 0.495 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 178.7 | -64.3 | 176.9 | 154.1 | 0 | 0 | 111.7 | V374 D375 G380 L381 I382 | V374-E378 HydrophobicContact CG1-CB 3.62Å; D375-E378 HydrophobicContact CB-CG 4.25Å; D375-E378 PolarHBondContact N-OE2 3.26Å; D375-E378 WeakPolarHBondContact O-CB 3.23Å; D375-E378 PolarHBondContact O-N 3.47Å; E378-G380 PolarHBondContact O-N 2.73Å; E378-L381 WeakPolarHBondContact O-CB 3.33Å; E378-L381 PolarHBondContact O-N 2.71Å; E378-I382 WeakPolarHBondContact O-CG1 3.26Å; E378-I382 PolarHBondContact O-N 2.67Å |
| 379 | I | 84.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.021 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57.4 | -38.4 | 171.5 | -61 | 175.1 | 0 | 0 | 0 | 110.5 | A369 L370 V374 D375 V383 L400 L402 | A369-I379 HydrophobicContact CB-CD1 3.99Å; A369-I379 HydrophobicContact CB-CG1 3.95Å; L370-I379 HydrophobicContact CD2-CD1 3.72Å; L370-I379 HydrophobicContact CG-CD1 4Å; V374-I379 HydrophobicContact CB-CD1 4.45Å; V374-I379 HydrophobicContact CB-CG1 4.07Å; V374-I379 HydrophobicContact CG1-CG1 3.8Å; D375-I379 WeakPolarHBondContact O-CG1 3.33Å; D375-I379 PolarHBondContact O-N 3.11Å; I379-V383 WeakPolarHBondContact O-CG2 3.28Å; I379-V383 PolarHBondContact O-N 3.32Å; I379-L400 HydrophobicContact CG2-CD1 3.98Å; I379-L402 HydrophobicContact CB-CD1 4.36Å; I379-L402 HydrophobicContact CD1-CD1 4.2Å; I379-L402 HydrophobicContact CG2-CD1 4.3Å |
| 380 | G | 84.3 | Confident | 85.4 | Confident | 29 Ų | 29 | 82 Ų | 82 | 30% | 0.299 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W376 A377 E378 K384 | W376-G380 PolarHBondContact O-N 2.87Å; A377-G380 WeakPolarHBondContact O-CA 3.4Å; A377-G380 PolarHBondContact O-N 2.99Å; E378-G380 PolarHBondContact O-N 2.73Å; G380-K384 WeakPolarHBondContact O-CB 3.43Å; G380-K384 PolarHBondContact O-N 2.64Å |
| 381 | L | 85 | Confident | 85.3 | Confident | 114 Ų | 114 | 82.5 Ų | 82.5 | 60% | 0.597 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.9 | -45.8 | 174.2 | -68.2 | 173 | 0 | 0 | 0 | 111.5 | A377 E378 V383 K384 E385 | A377-L381 PolarHBondContact O-N 3.27Å; E378-L381 WeakPolarHBondContact O-CB 3.33Å; E378-L381 PolarHBondContact O-N 2.71Å; L381-V383 PolarHBondContact O-N 3.5Å; L381-K384 CarbonylContact O-C 3.17Å; L381-K384 WeakPolarHBondContact O-CB 3.46Å; L381-K384 PolarHBondContact O-N 3.14Å; L381-K384 VanDerWaalsContact O-N 3.08Å; L381-E385 PolarHBondContact O-N 3Å |
| 382 | I | 84.9 | Confident | 84.8 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 45% | 0.451 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 178.2 | -67.5 | 162.7 | 0 | 0 | 0 | 111.1 | V374 E378 K384 E385 A386 | V374-I382 HydrophobicContact CG1-CD1 4.17Å; E378-I382 WeakPolarHBondContact O-CG1 3.26Å; E378-I382 PolarHBondContact O-N 2.67Å; I382-K384 VanDerWaalsContact C-N 3.32Å; I382-K384 PolarHBondContact O-N 3.37Å; I382-E385 PolarHBondContact O-N 3.3Å; I382-A386 WeakPolarHBondContact O-CB 3.48Å; I382-A386 PolarHBondContact O-N 2.83Å |
| 383 | V | 85.5 | Confident | 84.5 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I379 L381 Q387 I397 L400 | I379-V383 WeakPolarHBondContact O-CG2 3.28Å; I379-V383 PolarHBondContact O-N 3.32Å; L381-V383 PolarHBondContact O-N 3.5Å; V383-Q387 WeakPolarHBondContact O-CB 3.31Å; V383-Q387 VanDerWaalsContact O-CG 3.24Å; V383-Q387 WeakPolarHBondContact O-CG 3.46Å; V383-Q387 PolarHBondContact O-N 2.77Å; V383-I397 HydrophobicContact CG1-CB 4.24Å; V383-I397 HydrophobicContact CG1-CG2 4.05Å; V383-L400 HydrophobicContact CG2-CD1 4.31Å |
| 384 | K | 85.8 | Confident | 84.4 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.5 | -33.9 | 177.8 | -172.5 | -176.3 | 176 | -168.4 | 0 | 112.8 | G380 L381 I382 A388 | G380-K384 WeakPolarHBondContact O-CB 3.43Å; G380-K384 PolarHBondContact O-N 2.64Å; L381-K384 CarbonylContact O-C 3.17Å; L381-K384 WeakPolarHBondContact O-CB 3.46Å; L381-K384 PolarHBondContact O-N 3.14Å; L381-K384 VanDerWaalsContact O-N 3.08Å; I382-K384 VanDerWaalsContact C-N 3.32Å; I382-K384 PolarHBondContact O-N 3.37Å; K384-A388 PolarHBondContact O-N 3.09Å; K384-A388 VanDerWaalsContact O-N 3.07Å |
| 385 | E | 86.8 | Confident | 84.2 | Confident | 143 Ų | 143 | 71 Ų | 71 | 67% | 0.668 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.2 | -45.6 | 173.4 | -174.7 | 172 | -168.3 | 0 | 0 | 111 | L381 I382 Q387 A388 A389 | L381-E385 PolarHBondContact O-N 3Å; I382-E385 PolarHBondContact O-N 3.3Å; E385-Q387 VanDerWaalsContact C-N 3.28Å; E385-Q387 PolarHBondContact O-N 2.88Å; E385-A388 CarbonylContact O-C 3.51Å; E385-A388 WeakPolarHBondContact O-CA 3.26Å; E385-A388 WeakPolarHBondContact O-CB 3.25Å; E385-A388 PolarHBondContact O-N 3.28Å; E385-A389 PolarHBondContact O-N 3.41Å |
| 386 | A | 84.8 | Confident | 84 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 24% | 0.24 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.6 | -32.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | I382 A389 G390 D391 A394 | I382-A386 WeakPolarHBondContact O-CB 3.48Å; I382-A386 PolarHBondContact O-N 2.83Å; A386-A389 PolarHBondContact O-N 3.09Å; A386-G390 PolarHBondContact O-N 3.3Å; A386-G390 VanDerWaalsContact O-N 3.13Å; A386-D391 HydrophobicContact CB-CB 4.47Å; A386-D391 PolarHBondContact O-N 2.77Å; A386-A394 HydrophobicContact CB-CB 3.47Å; A386-A394 VanDerWaalsContact CB-CB 3.47Å |
| 387 | Q | 86.5 | Confident | 84.1 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 168.9 | -77.7 | 169.3 | 0.1 | 0 | 0 | 112.6 | V383 E385 A389 G390 A394 I397 | V383-Q387 WeakPolarHBondContact O-CB 3.31Å; V383-Q387 VanDerWaalsContact O-CG 3.24Å; V383-Q387 WeakPolarHBondContact O-CG 3.46Å; V383-Q387 PolarHBondContact O-N 2.77Å; E385-Q387 VanDerWaalsContact C-N 3.28Å; E385-Q387 PolarHBondContact O-N 2.88Å; Q387-A389 VanDerWaalsContact C-N 3.29Å; Q387-A389 PolarHBondContact O-N 3.03Å; Q387-G390 PolarHBondContact O-N 3.38Å; Q387-G390 VanDerWaalsContact O-N 3.08Å; Q387-A394 HydrophobicContact CG-CB 4.01Å; Q387-A394 VanDerWaalsContact CG-O 3.29Å; Q387-A394 WeakPolarHBondContact CG-O 3.25Å; Q387-A394 PolarHBondContact NE2-O 2.63Å; Q387-I397 PolarHBondContact NE2-O 3.4Å |
| 388 | A | 85.8 | Confident | 84 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 76% | 0.76 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.3 | -30.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K384 E385 G390 | K384-A388 PolarHBondContact O-N 3.09Å; K384-A388 VanDerWaalsContact O-N 3.07Å; E385-A388 CarbonylContact O-C 3.51Å; E385-A388 WeakPolarHBondContact O-CA 3.26Å; E385-A388 WeakPolarHBondContact O-CB 3.25Å; E385-A388 PolarHBondContact O-N 3.28Å; A388-G390 VanDerWaalsContact C-N 3.27Å |
| 389 | A | 84.2 | Confident | 84 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 72% | 0.719 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E385 A386 Q387 | E385-A389 PolarHBondContact O-N 3.41Å; A386-A389 PolarHBondContact O-N 3.09Å; Q387-A389 VanDerWaalsContact C-N 3.29Å; Q387-A389 PolarHBondContact O-N 3.03Å |
| 390 | G | 80 | Confident | 84.1 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 46% | 0.464 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 18.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A386 Q387 A388 P392 | A386-G390 PolarHBondContact O-N 3.3Å; A386-G390 VanDerWaalsContact O-N 3.13Å; Q387-G390 PolarHBondContact O-N 3.38Å; Q387-G390 VanDerWaalsContact O-N 3.08Å; A388-G390 VanDerWaalsContact C-N 3.27Å; G390-P392 WeakPolarHBondContact O-CD 3.24Å |
| 391 | D | 84.6 | Confident | 84.1 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 34% | 0.337 | 39% | 0.386 | S | S | . | . | trans | -60.1 | 122.8 | 176.3 | 168.2 | 22.9 | 0 | 0 | 0 | 110.9 | A386 V393 A394 C395 | A386-D391 HydrophobicContact CB-CB 4.47Å; A386-D391 PolarHBondContact O-N 2.77Å; D391-V393 PolarHBondContact O-N 3.38Å; D391-V393 VanDerWaalsContact O-N 3.17Å; D391-V393 PolarHBondContact OD1-N 3.05Å; D391-A394 HydrophobicContact CB-CB 3.98Å; D391-A394 PolarHBondContact O-N 3.12Å; D391-A394 PolarHBondContact OD2-N 3.49Å; D391-A394 VanDerWaalsContact OD2-N 3.16Å; D391-C395 WeakPolarHBondContact O-CB 3.46Å; D391-C395 PolarHBondContact O-N 2.91Å; D391-C395 PolarHBondContact O-SG 3.15Å | ||
| 392 | P | 78.3 | Confident | 83.9 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.8 | -29.3 | 176.5 | -27.3 | 36 | 0 | 0 | 0 | 114.7 | G390 A396 | G390-P392 WeakPolarHBondContact O-CD 3.24Å; P392-A396 PolarHBondContact O-N 3.26Å |
| 393 | V | 82 | Confident | 83.7 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -75.5 | -49.2 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | I358 R361 A362 D391 C395 A396 I397 | I358-V393 HydrophobicContact CG2-CG2 4.47Å; R361-V393 HydrophobicContact CB-CG1 4.34Å; R361-V393 HydrophobicContact CB-CG2 4.25Å; A362-V393 HydrophobicContact CB-CG1 3.72Å; D391-V393 PolarHBondContact O-N 3.38Å; D391-V393 VanDerWaalsContact O-N 3.17Å; D391-V393 PolarHBondContact OD1-N 3.05Å; V393-C395 VanDerWaalsContact C-N 3.34Å; V393-C395 PolarHBondContact O-N 3.05Å; V393-A396 WeakPolarHBondContact O-CB 3.47Å; V393-A396 PolarHBondContact O-N 3.46Å; V393-A396 VanDerWaalsContact O-N 3.15Å; V393-I397 PolarHBondContact O-N 3.15Å |
| 394 | A | 81.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.033 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A386 Q387 D391 A396 I397 | A386-A394 HydrophobicContact CB-CB 3.47Å; A386-A394 VanDerWaalsContact CB-CB 3.47Å; Q387-A394 HydrophobicContact CG-CB 4.01Å; Q387-A394 VanDerWaalsContact CG-O 3.29Å; Q387-A394 WeakPolarHBondContact CG-O 3.25Å; Q387-A394 PolarHBondContact NE2-O 2.63Å; D391-A394 HydrophobicContact CB-CB 3.98Å; D391-A394 PolarHBondContact O-N 3.12Å; D391-A394 PolarHBondContact OD2-N 3.49Å; D391-A394 VanDerWaalsContact OD2-N 3.16Å; A394-A396 VanDerWaalsContact C-N 3.26Å; A394-A396 PolarHBondContact O-N 2.98Å; A394-I397 PolarHBondContact O-N 3.22Å |
| 395 | C | 83.1 | Confident | 83.6 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 47% | 0.473 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -25.1 | 174.6 | -68.5 | 0 | 0 | 0 | 0 | 113.6 | D391 V393 | D391-C395 WeakPolarHBondContact O-CB 3.46Å; D391-C395 PolarHBondContact O-N 2.91Å; D391-C395 PolarHBondContact O-SG 3.15Å; V393-C395 VanDerWaalsContact C-N 3.34Å; V393-C395 PolarHBondContact O-N 3.05Å |
| 396 | A | 83.4 | Confident | 83.6 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -78.5 | -25.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I358 P392 V393 A394 K398 M409 L410 | I358-A396 HydrophobicContact CG2-CB 4.11Å; P392-A396 PolarHBondContact O-N 3.26Å; V393-A396 WeakPolarHBondContact O-CB 3.47Å; V393-A396 PolarHBondContact O-N 3.46Å; V393-A396 VanDerWaalsContact O-N 3.15Å; A394-A396 VanDerWaalsContact C-N 3.26Å; A394-A396 PolarHBondContact O-N 2.98Å; A396-K398 PolarHBondContact O-N 2.99Å; A396-M409 HydrophobicContact CB-CE 3.84Å; A396-M409 CarbonylContact O-C 3.6Å; A396-M409 WeakPolarHBondContact O-CA 3.49Å; A396-L410 PolarHBondContact O-N 2.73Å |
| 397 | I | 86.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.8 | 176.4 | -62.5 | 169.5 | 0 | 0 | 0 | 109.1 | A362 V366 V383 Q387 V393 A394 L400 I407 M409 | A362-I397 HydrophobicContact CB-CD1 4.07Å; A362-I397 HydrophobicContact CB-CG1 4.27Å; V366-I397 HydrophobicContact CG2-CD1 4.45Å; V383-I397 HydrophobicContact CG1-CB 4.24Å; V383-I397 HydrophobicContact CG1-CG2 4.05Å; Q387-I397 PolarHBondContact NE2-O 3.4Å; V393-I397 PolarHBondContact O-N 3.15Å; A394-I397 PolarHBondContact O-N 3.22Å; I397-L400 HydrophobicContact CG2-CD2 3.66Å; I397-L400 HydrophobicContact CG2-CG 4.47Å; I397-I407 HydrophobicContact CG2-CG2 3.84Å; I397-M409 HydrophobicContact CG1-CE 4.45Å; I397-M409 HydrophobicContact CG1-CG 4.47Å |
| 398 | K | 83.9 | Confident | 84.1 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -41.9 | 179.2 | -166.9 | -177.2 | 176.9 | -174.3 | 0 | 113.6 | A396 T408 L457 | A396-K398 PolarHBondContact O-N 2.99Å; K398-T408 PolarHBondContact N-O 3.37Å; K398-L457 HydrophobicContact CB-CD2 4.2Å; K398-L457 HydrophobicContact CD-CD1 4.25Å; K398-L457 HydrophobicContact CD-CD2 3.57Å |
| 399 | E | 83.9 | Confident | 84.2 | Confident | 93 Ų | 93 | 53.2 Ų | 53.2 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 133.9 | -177.8 | -61 | 172.5 | -164.8 | 0 | 0 | 110.4 | T408 | E399-T408 PolarHBondContact N-O 2.86Å; E399-T408 PolarHBondContact O-N 2.69Å |
| 400 | L | 85.2 | Confident | 84.4 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.3 | 175.6 | -62.9 | -178.3 | 0 | 0 | 0 | 109.7 | I379 V383 I397 L402 I407 | I379-L400 HydrophobicContact CG2-CD1 3.98Å; V383-L400 HydrophobicContact CG2-CD1 4.31Å; I397-L400 HydrophobicContact CG2-CD2 3.66Å; I397-L400 HydrophobicContact CG2-CG 4.47Å; L400-L402 VanDerWaalsContact C-N 3.35Å; L400-L402 HydrophobicContact CB-CG 4.16Å; L400-L402 PolarHBondContact O-N 2.69Å; L400-I407 HydrophobicContact CD2-CG2 3.53Å |
| 401 | K | 84.3 | Confident | 84.7 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 46.3 | 179.3 | -61.6 | 171.3 | 176.9 | 160.9 | 0 | 111 | Q403 T404 N405 H406 T408 D459 | K401-Q403 PolarHBondContact O-N 2.85Å; K401-Q403 VanDerWaalsContact O-N 3.16Å; K401-T404 WeakPolarHBondContact O-CA 3.49Å; K401-T404 PolarHBondContact O-N 3.28Å; K401-T404 PolarHBondContact O-OG1 2.91Å; K401-N405 PolarHBondContact O-N 2.84Å; K401-H406 CarbonylContact C-O 3.5Å; K401-H406 VanDerWaalsContact CA-O 3.24Å; K401-H406 WeakPolarHBondContact CA-O 3.43Å; K401-H406 HydrophobicContact CB-CB 4.35Å; K401-H406 VanDerWaalsContact CB-O 3.32Å; K401-H406 WeakPolarHBondContact CB-O 3.45Å; K401-H406 PolarHBondContact N-O 3.27Å; K401-H406 PolarHBondContact O-N 3.42Å; K401-T408 WeakPolarHBondContact CD-OG1 3.37Å; K401-T408 WeakPolarHBondContact CE-OG1 3.5Å; K401-T408 PolarHBondContact NZ-OG1 2.96Å; K401-D459 IonicContact NZ-OD1 3.65Å; K401-D459 PolarHBondContact NZ-OD1 2.86Å; K401-D459 IonicContact NZ-OD2 2.64Å; K401-D459 PolarHBondContact NZ-OD2 2.66Å |
| 402 | L | 80.4 | Confident | 84.6 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.9 | -33.3 | -172.2 | -57.6 | 179.7 | 0 | 0 | 0 | 113.4 | V366 W376 I379 L400 T404 N405 L462 | V366-L402 HydrophobicContact CG1-CD2 3.93Å; W376-L402 HydrophobicContact CB-CD1 3.96Å; W376-L402 HydrophobicContact CD2-CB 4.23Å; W376-L402 HydrophobicContact CG-CB 4.16Å; W376-L402 HydrophobicContact CG-CD1 3.85Å; I379-L402 HydrophobicContact CB-CD1 4.36Å; I379-L402 HydrophobicContact CD1-CD1 4.2Å; I379-L402 HydrophobicContact CG2-CD1 4.3Å; L400-L402 VanDerWaalsContact C-N 3.35Å; L400-L402 HydrophobicContact CB-CG 4.16Å; L400-L402 PolarHBondContact O-N 2.69Å; L402-T404 PolarHBondContact O-N 2.73Å; L402-N405 PolarHBondContact O-N 3.47Å; L402-N405 PolarHBondContact O-OD1 2.94Å; L402-L462 HydrophobicContact CD2-CD1 3.79Å |
| 403 | Q | 80.8 | Confident | 84.7 | Confident | 167 Ų | 167 | 51.4 Ų | 51.4 | 78% | 0.78 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -55 | -15.6 | 171.1 | -69.2 | 177.8 | -0.6 | 0 | 0 | 114.7 | W376 K401 | W376-Q403 HydrophobicContact CE3-CG 4.09Å; W376-Q403 HydrophobicContact CH2-CG 4.02Å; W376-Q403 HydrophobicContact CZ3-CG 3.5Å; K401-Q403 PolarHBondContact O-N 2.85Å; K401-Q403 VanDerWaalsContact O-N 3.16Å |
| 404 | T | 82.3 | Confident | 84 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 55% | 0.546 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -124.4 | 10.7 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | K401 L402 H406 | K401-T404 WeakPolarHBondContact O-CA 3.49Å; K401-T404 PolarHBondContact O-N 3.28Å; K401-T404 PolarHBondContact O-OG1 2.91Å; L402-T404 PolarHBondContact O-N 2.73Å; T404-H406 PolarHBondContact O-N 2.82Å; T404-H406 PolarHBondContact O-ND1 3.38Å |
| 405 | N | 87 | Confident | 83.3 | Confident | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.1 | -172.1 | -70.3 | -21.2 | 0 | 0 | 0 | 114.2 | K401 L402 L462 | K401-N405 PolarHBondContact O-N 2.84Å; L402-N405 PolarHBondContact O-N 3.47Å; L402-N405 PolarHBondContact O-OD1 2.94Å; N405-L462 HydrophobicContact CB-CB 4.42Å; N405-L462 WeakPolarHBondContact O-CB 3.2Å; N405-L462 PolarHBondContact O-N 3.44Å |
| 406 | H | 88.1 | Confident | 82.2 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.5 | 175.1 | -73.6 | 63.7 | 0 | 0 | 0 | 111.7 | K401 T404 V460 D461 K472 | K401-H406 CarbonylContact C-O 3.5Å; K401-H406 VanDerWaalsContact CA-O 3.24Å; K401-H406 WeakPolarHBondContact CA-O 3.43Å; K401-H406 HydrophobicContact CB-CB 4.35Å; K401-H406 VanDerWaalsContact CB-O 3.32Å; K401-H406 WeakPolarHBondContact CB-O 3.45Å; K401-H406 PolarHBondContact N-O 3.27Å; K401-H406 PolarHBondContact O-N 3.42Å; T404-H406 PolarHBondContact O-N 2.82Å; T404-H406 PolarHBondContact O-ND1 3.38Å; H406-V460 CarbonylContact C-O 3.48Å; H406-V460 VanDerWaalsContact CA-O 3.26Å; H406-V460 WeakPolarHBondContact CA-O 3.31Å; H406-D461 IonicContact CE1-OD2 2.73Å; H406-D461 PolarHBondContact CE1-OD2 3.09Å; H406-D461 IonicContact NE2-OD2 2.72Å; H406-D461 PolarHBondContact NE2-OD2 2.92Å; H406-K472 PolarHBondContact NE2-NZ 2.91Å |
| 407 | I | 90.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135 | 170.8 | -11.6 | 173.8 | 0 | 0 | 0 | 109.1 | L363 V366 I397 L400 D459 V460 L462 | L363-I407 HydrophobicContact CD2-CD1 4.2Å; V366-I407 HydrophobicContact CB-CD1 4.4Å; V366-I407 HydrophobicContact CG2-CD1 4.25Å; I397-I407 HydrophobicContact CG2-CG2 3.84Å; L400-I407 HydrophobicContact CD2-CG2 3.53Å; I407-D459 CarbonylContact O-C 3.56Å; I407-D459 WeakPolarHBondContact O-CA 3.1Å; I407-V460 PolarHBondContact N-O 3.12Å; I407-V460 PolarHBondContact O-N 3.35Å; I407-L462 HydrophobicContact CD1-CD2 3.73Å; I407-L462 HydrophobicContact CD1-CG 4.23Å; I407-L462 HydrophobicContact CG1-CD1 4.23Å; I407-L462 HydrophobicContact CG1-CD2 3.88Å; I407-L462 HydrophobicContact CG1-CG 3.8Å |
| 408 | T | 89.7 | Confident | 79.1 | Confident | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 115.1 | 173 | -52.2 | 0 | 0 | 0 | 0 | 110 | K398 E399 K401 L457 V458 D459 | K398-T408 PolarHBondContact N-O 3.37Å; E399-T408 PolarHBondContact N-O 2.86Å; E399-T408 PolarHBondContact O-N 2.69Å; K401-T408 WeakPolarHBondContact CD-OG1 3.37Å; K401-T408 WeakPolarHBondContact CE-OG1 3.5Å; K401-T408 PolarHBondContact NZ-OG1 2.96Å; T408-L457 HydrophobicContact CG2-CB 4.04Å; T408-L457 HydrophobicContact CG2-CD2 4.09Å; T408-V458 WeakPolarHBondContact CA-O 3.45Å; T408-D459 WeakPolarHBondContact CB-OD1 3.49Å; T408-D459 WeakPolarHBondContact CG2-OD1 3.33Å; T408-D459 PolarHBondContact OG1-OD1 3.08Å |
| 409 | M | 88.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.3 | 177.2 | -61 | -173.5 | 74.4 | 0 | 0 | 111.4 | I358 V359 A362 A396 I397 L411 L457 V458 V460 | I358-M409 HydrophobicContact CG2-CE 4.13Å; V359-M409 HydrophobicContact CB-SD 4.39Å; V359-M409 HydrophobicContact CG1-SD 4.28Å; V359-M409 HydrophobicContact CG2-CE 4.41Å; V359-M409 HydrophobicContact CG2-SD 4.11Å; A362-M409 HydrophobicContact CB-CE 3.54Å; A362-M409 HydrophobicContact CB-SD 3.79Å; A396-M409 HydrophobicContact CB-CE 3.84Å; A396-M409 CarbonylContact O-C 3.6Å; A396-M409 WeakPolarHBondContact O-CA 3.49Å; I397-M409 HydrophobicContact CG1-CE 4.45Å; I397-M409 HydrophobicContact CG1-CG 4.47Å; M409-L411 HydrophobicContact CB-CD2 3.93Å; M409-L411 HydrophobicContact CB-CG 4.27Å; M409-L411 HydrophobicContact CE-CD2 4.44Å; M409-L457 WeakPolarHBondContact O-CA 3.45Å; M409-V458 PolarHBondContact N-O 3.18Å; M409-V458 PolarHBondContact O-N 2.77Å; M409-V460 HydrophobicContact CB-CG2 4.5Å; M409-V460 HydrophobicContact CG-CG2 4.18Å; M409-V460 HydrophobicContact SD-CG2 4.02Å |
| 410 | L | 89.4 | Confident | 75.7 | Confident | 67 Ų | 67 | 80.8 Ų | 80.8 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 99.5 | 171.5 | -176.4 | 71.3 | 0 | 0 | 0 | 108.7 | A396 P455 L457 | A396-L410 PolarHBondContact O-N 2.73Å; L410-P455 HydrophobicContact CD1-CB 3.99Å; L410-P455 HydrophobicContact CG-CB 4.31Å; L410-L457 HydrophobicContact CB-CD2 3.98Å; L410-L457 HydrophobicContact CD1-CD2 3.65Å; L410-L457 HydrophobicContact CD1-CG 4.18Å; L410-L457 HydrophobicContact CG-CD2 4.44Å |
| 411 | L | 86.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.2 | -177.1 | -56.8 | -175.4 | 0 | 0 | 0 | 111.2 | L351 V352 N355 V359 M409 P455 M456 V458 | L351-L411 HydrophobicContact CB-CB 4.08Å; L351-L411 HydrophobicContact CB-CD1 4.32Å; V352-L411 HydrophobicContact CG2-CD1 3.77Å; N355-L411 HydrophobicContact CB-CD1 4.49Å; N355-L411 HydrophobicContact CB-CD2 4.06Å; V359-L411 HydrophobicContact CG2-CD1 4.14Å; V359-L411 HydrophobicContact CG2-CD2 4.06Å; M409-L411 HydrophobicContact CB-CD2 3.93Å; M409-L411 HydrophobicContact CB-CG 4.27Å; M409-L411 HydrophobicContact CE-CD2 4.44Å; L411-P455 VanDerWaalsContact O-CA 3.31Å; L411-P455 WeakPolarHBondContact O-CA 3.33Å; L411-M456 PolarHBondContact N-O 2.86Å; L411-M456 PolarHBondContact O-N 2.94Å; L411-V458 HydrophobicContact CB-CG2 4.39Å; L411-V458 HydrophobicContact CD1-CB 4.16Å; L411-V458 HydrophobicContact CD1-CG2 3.95Å; L411-V458 HydrophobicContact CG-CG2 4.22Å |
| 412 | K | 82.3 | Confident | 71.2 | Confident | 132 Ų | 132 | 89 Ų | 89 | 57% | 0.574 | 45% | 0.454 | S | S | * | . | trans | -120.7 | 164.6 | 177.9 | -76.3 | 176 | 178.1 | -175.2 | 0 | 109.4 | N355 P414 P455 | N355-K412 PolarHBondContact ND2-O 3.19Å; N355-K412 PolarHBondContact OD1-O 3.42Å; K412-P414 WeakPolarHBondContact O-CD 3.22Å; K412-P455 HydrophobicContact CG-CB 3.82Å | ||
| 413 | N | 79.9 | Confident | 69.3 | Low | 51 Ų | 51 | 97.4 Ų | 97.4 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | trans | -92.1 | 111.3 | 166.4 | -174.6 | -0.8 | 0 | 0 | 0 | 109.6 | Y415 I416 | N413-Y415 PolarHBondContact O-N 3.31Å; N413-Y415 PolarHBondContact OD1-N 2.93Å; N413-Y415 VanDerWaalsContact OD1-N 3.14Å; N413-I416 HydrophobicContact CB-CD1 3.97Å; N413-I416 HydrophobicContact CB-CG1 4.09Å | ||
| 414 | P | 67.6 | Low | 67.2 | Low | 85 Ų | 85 | 96 Ų | 96 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -12.6 | -179.6 | -15.9 | 32.4 | 0 | 0 | 0 | 114 | I354 K412 I416 | I354-P414 HydrophobicContact CG2-CG 4.17Å; K412-P414 WeakPolarHBondContact O-CD 3.22Å; P414-I416 VanDerWaalsContact C-N 3.29Å |
| 415 | Y | 67.4 | Low | 65.3 | Low | 190 Ų | 190 | 96.1 Ų | 96.1 | 75% | 0.745 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.7 | -179.6 | -62.5 | -74.4 | 0 | 0 | 0 | 113.7 | I354 N413 | I354-Y415 HydrophobicContact CG2-CD2 4.15Å; I354-Y415 HydrophobicContact CG2-CE2 4.16Å; N413-Y415 PolarHBondContact O-N 3.31Å; N413-Y415 PolarHBondContact OD1-N 2.93Å; N413-Y415 VanDerWaalsContact OD1-N 3.14Å |
| 416 | I | 59.9 | Low | 63.1 | Low | 75 Ų | 75 | 97.3 Ų | 97.3 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | trans | -94.8 | 104.6 | 172.3 | -56.2 | -178.7 | 0 | 0 | 0 | 107.6 | N413 P414 D453 | N413-I416 HydrophobicContact CB-CD1 3.97Å; N413-I416 HydrophobicContact CB-CG1 4.09Å; P414-I416 VanDerWaalsContact C-N 3.29Å; I416-D453 HydrophobicContact CD1-CB 3.71Å | ||
| 417 | V | 51.8 | Low | 60.7 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | trans | -65.9 | 135.5 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | E419 | V417-E419 HydrophobicContact CG1-CB 4.35Å; V417-E419 HydrophobicContact CG1-CG 4.11Å; V417-E419 PolarHBondContact O-N 2.91Å | ||
| 418 | P | 52.3 | Low | 58.2 | Low | 129 Ų | 129 | 104.7 Ų | 104.7 | 84% | 0.838 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -71.5 | 23.6 | -179.7 | -20.9 | 34.8 | 0 | 0 | 0 | 116.3 | ||
| 419 | E | 47 | Very low | 55.7 | Low | 161 Ų | 161 | 111.9 Ų | 111.9 | 75% | 0.752 | 58% | 0.577 | S | S | * | * | trans | -89.4 | 144.6 | 171.8 | -68.1 | -179.7 | 131.2 | 0 | 0 | 109 | V417 | V417-E419 HydrophobicContact CG1-CB 4.35Å; V417-E419 HydrophobicContact CG1-CG 4.11Å; V417-E419 PolarHBondContact O-N 2.91Å | ||
| 420 | E | 48.4 | Very low | 53.2 | Low | 199 Ų | 199 | 115.8 Ų | 115.8 | 93% | 0.93 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 65.8 | 43.8 | -176 | -55.8 | -170.8 | -178.4 | 0 | 0 | 117 | ||
| 421 | V | 39.4 | Very low | 50.5 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | trans | -128 | 110.4 | 147.3 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 422 | E | 36.7 | Very low | 48.1 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | trans | -64.8 | 150.3 | -176.5 | -60.9 | 170.4 | 125.8 | 0 | 0 | 112.6 | E424 | E422-E424 PolarHBondContact O-N 3.19Š| ||
| 423 | E | 38.9 | Very low | 45.9 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -3.5 | -172 | -62.6 | -168.4 | 115.7 | 0 | 0 | 115.1 | D425 V426 | E423-D425 VanDerWaalsContact C-N 3.32Å; E423-D425 PolarHBondContact O-N 3Å; E423-V426 PolarHBondContact O-N 3.27Å |
| 424 | E | 38.4 | Very low | 43.6 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -63.8 | -27.7 | -175.3 | -67.5 | -150.1 | 151.3 | 0 | 0 | 115.3 | E422 V426 | E422-E424 PolarHBondContact O-N 3.19Å; E424-V426 VanDerWaalsContact C-N 3.31Å; E424-V426 PolarHBondContact O-N 3.27Å |
| 425 | D | 42.6 | Very low | 41.8 | Very low | 91 Ų | 91 | 140 Ų | 140 | 49% | 0.487 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -79.3 | -10.4 | -174.2 | -102.4 | 8.7 | 0 | 0 | 0 | 113.7 | E423 K428 | E423-D425 VanDerWaalsContact C-N 3.32Å; E423-D425 PolarHBondContact O-N 3Å; D425-K428 WeakPolarHBondContact OD1-CD 3.23Å; D425-K428 IonicContact OD1-NZ 2.69Å; D425-K428 PolarHBondContact OD1-NZ 3.36Å |
| 426 | V | 39.6 | Very low | 40 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -74.4 | -36.3 | 175 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | E423 E424 K428 L429 | E423-V426 PolarHBondContact O-N 3.27Å; E424-V426 VanDerWaalsContact C-N 3.31Å; E424-V426 PolarHBondContact O-N 3.27Å; V426-K428 VanDerWaalsContact C-N 3.31Å; V426-K428 PolarHBondContact O-N 3.37Å; V426-L429 PolarHBondContact O-N 3.1Å |
| 427 | A | 37.2 | Very low | 39.1 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -62.6 | -35.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L429 A430 | A427-L429 PolarHBondContact O-N 3.46Å; A427-L429 VanDerWaalsContact O-N 3.13Å; A427-A430 PolarHBondContact O-N 2.95Å; A427-A430 VanDerWaalsContact O-N 3.16Å |
| 428 | K | 38.2 | Very low | 38.1 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 54% | 0.535 | 77% | 0.772 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -13.4 | -173.5 | -63.9 | 164.4 | -160.4 | 158 | 0 | 113.7 | D425 V426 | D425-K428 WeakPolarHBondContact OD1-CD 3.23Å; D425-K428 IonicContact OD1-NZ 2.69Å; D425-K428 PolarHBondContact OD1-NZ 3.36Å; V426-K428 VanDerWaalsContact C-N 3.31Å; V426-K428 PolarHBondContact O-N 3.37Å |
| 429 | L | 37 | Very low | 37 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -9.2 | 176.7 | -76.9 | 164.7 | 0 | 0 | 0 | 114.2 | V426 A427 | V426-L429 PolarHBondContact O-N 3.1Å; A427-L429 PolarHBondContact O-N 3.46Å; A427-L429 VanDerWaalsContact O-N 3.13Å |
| 430 | A | 37.4 | Very low | 36.6 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -30.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A427 | A427-A430 PolarHBondContact O-N 2.95Å; A427-A430 VanDerWaalsContact O-N 3.16Å |
| 431 | E | 33 | Very low | 35.9 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -86 | -17.4 | -166.5 | -66.4 | -156.5 | 119.2 | 0 | 0 | 116 | K433 | E431-K433 PolarHBondContact O-N 3.08Š|
| 432 | E | 35.4 | Very low | 35.5 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -64.7 | 4.9 | -176.7 | -75.4 | -151.3 | 132.2 | 0 | 0 | 115.5 | ||
| 433 | K | 36 | Very low | 35.3 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -120.3 | 28.9 | -177.7 | -77.4 | -173 | 177.4 | 173.8 | 0 | 116.3 | E431 | E431-K433 PolarHBondContact O-N 3.08Š|
| 434 | K | 31.3 | Very low | 35.2 | Very low | 209 Ų | 209 | 152.7 Ų | 152.7 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -152 | 97.9 | 160.9 | -102.9 | 156.1 | -175.1 | 177.8 | 0 | 112.1 | ||
| 435 | G | 29.5 | Very low | 34.9 | Very low | 81 Ų | 81 | 148.7 Ų | 148.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -172.9 | 137.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 436 | G | 30.3 | Very low | 34.6 | Very low | 79 Ų | 79 | 153.2 Ų | 153.2 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 167.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K438 | G436-K438 PolarHBondContact O-N 2.81Š| ||
| 437 | K | 40.7 | Very low | 34.8 | Very low | 211 Ų | 211 | 156.8 Ų | 156.8 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -50.5 | 126.5 | 178.1 | -65.7 | 166.9 | 177.8 | 166.5 | 0 | 113.7 | ||||
| 438 | K | 30.2 | Very low | 35 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -163.6 | 159.7 | 136 | -108.1 | 160 | -174.9 | 180 | 0 | 112.3 | G436 | G436-K438 PolarHBondContact O-N 2.81Š| ||
| 439 | N | 29.2 | Very low | 35.4 | Very low | 156 Ų | 156 | 160 Ų | 160 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | 43 | 91.7 | 172.1 | -68.8 | 1.8 | 0 | 0 | 0 | 120.2 | N441 | N439-N441 PolarHBondContact O-N 2.84Š| ||
| 440 | K | 38.3 | Very low | 36.1 | Very low | 207 Ų | 207 | 154.8 Ų | 154.8 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -75.7 | 94.4 | 152.9 | -72 | -179.7 | 178.3 | 177.9 | 0 | 110.5 | ||||
| 441 | N | 34.5 | Very low | 37.1 | Very low | 158 Ų | 158 | 157.2 Ų | 157.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 178.2 | 90 | 144.7 | -96.5 | -7.7 | 0 | 0 | 0 | 111.5 | N439 | N439-N441 PolarHBondContact O-N 2.84Š| ||
| 442 | K | 31.8 | Very low | 38.1 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -154.1 | 165.3 | 152.3 | -115.5 | -174.7 | 173.9 | -175.1 | 0 | 110.2 | K444 | K442-K444 PolarHBondContact O-N 2.81Å; K442-K444 VanDerWaalsContact O-N 3.14Å |
| 443 | E | 31.6 | Very low | 39.3 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -48.5 | 103.6 | -156.9 | -68.4 | 112.3 | 135.6 | 0 | 0 | 117.8 | G445 | E443-G445 PolarHBondContact O-N 2.89Š| ||
| 444 | K | 36.6 | Very low | 40.8 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 97% | 0.97 | 75% | 0.753 | S | S | * | * | trans | -76.4 | 72.9 | 147.5 | -77 | -165.2 | 172.5 | -167.8 | 0 | 109 | K442 | K442-K444 PolarHBondContact O-N 2.81Å; K442-K444 VanDerWaalsContact O-N 3.14Å | ||
| 445 | G | 32.9 | Very low | 43 | Very low | 55 Ų | 55 | 141 Ų | 141 | 57% | 0.567 | 73% | 0.732 | S | S | * | * | trans | -140.5 | -6.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | E443 | E443-G445 PolarHBondContact O-N 2.89Š| ||
| 446 | Q | 36.5 | Very low | 45.5 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -151.3 | 106.2 | 173.8 | -108.5 | 161.7 | 85.2 | 0 | 0 | 110.1 | ||||
| 447 | K | 43.2 | Very low | 48.3 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 128.6 | 147.6 | -76.6 | -173.3 | 173.7 | -173.7 | 0 | 105.5 | ||
| 448 | G | 42 | Very low | 50.6 | Low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 144.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 449 | K | 46.6 | Very low | 53.5 | Low | 195 Ų | 195 | 120.7 Ų | 120.7 | 85% | 0.848 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 137 | 169.9 | -66.3 | 179.5 | 179.6 | 179 | 0 | 108.1 | K451 | K449-K451 PolarHBondContact O-N 3.3Š|
| 450 | P | 51.3 | Low | 56.4 | Low | 47 Ų | 47 | 113.2 Ų | 113.2 | 31% | 0.305 | 56% | 0.564 | S | S | . | * | trans | -57.9 | 114.9 | 175.3 | 24.5 | -32.7 | 0 | 0 | 0 | 108.6 | E343 L347 K452 | E343-P450 HydrophobicContact CG-CG 4.24Å; L347-P450 HydrophobicContact CD1-CB 3.83Å; L347-P450 HydrophobicContact CD1-CG 3.64Å; P450-K452 PolarHBondContact O-N 3.12Å | ||
| 451 | K | 57.3 | Low | 59 | Low | 131 Ų | 131 | 104.2 Ų | 104.2 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | trans | -57.5 | 138.6 | 167.4 | -70.3 | -173.2 | 176.5 | -175.7 | 0 | 106.8 | K449 D453 Q454 | K449-K451 PolarHBondContact O-N 3.3Å; K451-D453 PolarHBondContact O-N 3.04Å; K451-Q454 HydrophobicContact CB-CG 4.4Å | ||
| 452 | K | 55.1 | Low | 61.5 | Low | 131 Ų | 131 | 97.2 Ų | 97.2 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.4 | -176.2 | -70.6 | -173.1 | 173.7 | -175.4 | 0 | 112.9 | L347 P450 | L347-K452 HydrophobicContact CD2-CG 4.14Å; P450-K452 PolarHBondContact O-N 3.12Å |
| 453 | D | 59.8 | Low | 64.2 | Low | 102 Ų | 102 | 92.3 Ų | 92.3 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 0.6 | -156 | -34.7 | -71.7 | 0 | 0 | 0 | 111.7 | I416 K451 | I416-D453 HydrophobicContact CD1-CB 3.71Å; K451-D453 PolarHBondContact O-N 3.04Å |
| 454 | Q | 68 | Low | 67.1 | Low | 123 Ų | 123 | 87.3 Ų | 87.3 | 58% | 0.575 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -93.1 | 142.3 | 177.7 | -72.8 | -171.3 | -19.6 | 0 | 0 | 112.4 | K451 M456 | K451-Q454 HydrophobicContact CB-CG 4.4Å; Q454-M456 PolarHBondContact O-N 3.4Å |
| 455 | P | 76.8 | Confident | 69.7 | Low | 70 Ų | 70 | 79.2 Ų | 79.2 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | trans | -62.7 | 129.3 | 177 | 25.6 | -34.3 | 0 | 0 | 0 | 111.6 | L410 L411 K412 | L410-P455 HydrophobicContact CD1-CB 3.99Å; L410-P455 HydrophobicContact CG-CB 4.31Å; L411-P455 VanDerWaalsContact O-CA 3.31Å; L411-P455 WeakPolarHBondContact O-CA 3.33Å; K412-P455 HydrophobicContact CG-CB 3.82Å | ||
| 456 | M | 83.4 | Confident | 72.4 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 17% | 0.172 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.7 | -177 | -159.7 | 178.7 | -61.7 | 0 | 0 | 112 | V344 L347 R348 L351 L411 Q454 | V344-M456 HydrophobicContact CG1-SD 4.32Å; L347-M456 HydrophobicContact CB-CE 3.76Å; L347-M456 HydrophobicContact CD1-CE 3.92Å; L347-M456 HydrophobicContact CG-CE 4.5Å; R348-M456 HydrophobicContact CG-SD 3.84Å; L351-M456 HydrophobicContact CD1-CB 3.56Å; L411-M456 PolarHBondContact N-O 2.86Å; L411-M456 PolarHBondContact O-N 2.94Å; Q454-M456 PolarHBondContact O-N 3.4Å |
| 457 | L | 87.9 | Confident | 75 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 34% | 0.335 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119.7 | 168.9 | -64.8 | 173.3 | 0 | 0 | 0 | 110.1 | K398 T408 M409 L410 | K398-L457 HydrophobicContact CB-CD2 4.2Å; K398-L457 HydrophobicContact CD-CD1 4.25Å; K398-L457 HydrophobicContact CD-CD2 3.57Å; T408-L457 HydrophobicContact CG2-CB 4.04Å; T408-L457 HydrophobicContact CG2-CD2 4.09Å; M409-L457 WeakPolarHBondContact O-CA 3.45Å; L410-L457 HydrophobicContact CB-CD2 3.98Å; L410-L457 HydrophobicContact CD1-CD2 3.65Å; L410-L457 HydrophobicContact CD1-CG 4.18Å; L410-L457 HydrophobicContact CG-CD2 4.44Å |
| 458 | V | 89.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.2 | -178.5 | -166.5 | 0 | 0 | 0 | 0 | 109 | R348 V352 T408 M409 L411 Y473 | R348-V458 HydrophobicContact CB-CG1 4.04Å; R348-V458 HydrophobicContact CG-CG1 4.08Å; R348-V458 HydrophobicContact CG-CG2 4.09Å; V352-V458 HydrophobicContact CG2-CG1 3.81Å; T408-V458 WeakPolarHBondContact CA-O 3.45Å; M409-V458 PolarHBondContact N-O 3.18Å; M409-V458 PolarHBondContact O-N 2.77Å; L411-V458 HydrophobicContact CB-CG2 4.39Å; L411-V458 HydrophobicContact CD1-CB 4.16Å; L411-V458 HydrophobicContact CD1-CG2 3.95Å; L411-V458 HydrophobicContact CG-CG2 4.22Å; V458-Y473 HydrophobicContact CG1-CD2 4.4Å; V458-Y473 HydrophobicContact CG1-CE2 3.47Å; V458-Y473 VanDerWaalsContact CG1-CE2 3.47Å |
| 459 | D | 90.8 | Very high | 79.7 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119 | 178.3 | -78.8 | -26.8 | 0 | 0 | 0 | 109.4 | K401 I407 T408 Y473 | K401-D459 IonicContact NZ-OD1 3.65Å; K401-D459 PolarHBondContact NZ-OD1 2.86Å; K401-D459 IonicContact NZ-OD2 2.64Å; K401-D459 PolarHBondContact NZ-OD2 2.66Å; I407-D459 CarbonylContact O-C 3.56Å; I407-D459 WeakPolarHBondContact O-CA 3.1Å; T408-D459 WeakPolarHBondContact CB-OD1 3.49Å; T408-D459 WeakPolarHBondContact CG2-OD1 3.33Å; T408-D459 PolarHBondContact OG1-OD1 3.08Å; D459-Y473 PolarHBondContact N-OH 3.4Å; D459-Y473 PolarHBondContact O-OH 2.98Å |
| 460 | V | 90.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129 | -176.8 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | V359 L363 H406 I407 M409 N469 | V359-V460 HydrophobicContact CG1-CB 4.5Å; V359-V460 HydrophobicContact CG1-CG1 3.65Å; V359-V460 HydrophobicContact CG1-CG2 4.08Å; L363-V460 HydrophobicContact CD1-CG1 3.99Å; L363-V460 HydrophobicContact CD2-CG1 3.9Å; L363-V460 HydrophobicContact CG-CG1 4.09Å; H406-V460 CarbonylContact C-O 3.48Å; H406-V460 VanDerWaalsContact CA-O 3.26Å; H406-V460 WeakPolarHBondContact CA-O 3.31Å; I407-V460 PolarHBondContact N-O 3.12Å; I407-V460 PolarHBondContact O-N 3.35Å; M409-V460 HydrophobicContact CB-CG2 4.5Å; M409-V460 HydrophobicContact CG-CG2 4.18Å; M409-V460 HydrophobicContact SD-CG2 4.02Å; V460-N469 HydrophobicContact CG1-CB 4.16Å; V460-N469 WeakPolarHBondContact CG1-ND2 3.37Å |
| 461 | D | 91.6 | Very high | 83.8 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 10% | 0.096 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.4 | -178.8 | -165 | -42 | 0 | 0 | 0 | 111.1 | L363 H406 S463 L464 N469 K472 | L363-D461 WeakPolarHBondContact CD2-O 3.35Å; H406-D461 IonicContact CE1-OD2 2.73Å; H406-D461 PolarHBondContact CE1-OD2 3.09Å; H406-D461 IonicContact NE2-OD2 2.72Å; H406-D461 PolarHBondContact NE2-OD2 2.92Å; D461-S463 PolarHBondContact O-N 2.79Å; D461-S463 WeakPolarHBondContact OD1-CB 3.3Å; D461-S463 PolarHBondContact OD1-N 3.2Å; D461-S463 PolarHBondContact OD1-OG 3.05Å; D461-L464 HydrophobicContact CB-CB 4.31Å; D461-L464 HydrophobicContact CB-CD1 4.07Å; D461-L464 HydrophobicContact CB-CG 4.17Å; D461-L464 PolarHBondContact O-N 3.49Å; D461-N469 WeakPolarHBondContact CB-OD1 3.41Å; D461-N469 PolarHBondContact N-OD1 3.48Å; D461-N469 PolarHBondContact O-ND2 2.81Å; D461-N469 VanDerWaalsContact O-ND2 3.09Å; D461-K472 IonicContact OD2-NZ 3.76Å; D461-K472 PolarHBondContact OD2-NZ 3.13Å |
| 462 | L | 88.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.5 | -179.9 | -78.8 | 160.4 | 0 | 0 | 0 | 113.1 | L363 V366 R367 L370 L402 N405 I407 | L363-L462 HydrophobicContact CD2-CD2 4.14Å; V366-L462 HydrophobicContact CB-CD2 3.8Å; V366-L462 HydrophobicContact CG1-CD1 3.99Å; V366-L462 HydrophobicContact CG1-CD2 3.6Å; V366-L462 HydrophobicContact CG1-CG 4.47Å; R367-L462 PolarHBondContact NE-O 3.43Å; R367-L462 PolarHBondContact NH2-O 2.91Å; L370-L462 HydrophobicContact CD1-CD1 4.09Å; L402-L462 HydrophobicContact CD2-CD1 3.79Å; N405-L462 HydrophobicContact CB-CB 4.42Å; N405-L462 WeakPolarHBondContact O-CB 3.2Å; N405-L462 PolarHBondContact O-N 3.44Å; I407-L462 HydrophobicContact CD1-CD2 3.73Å; I407-L462 HydrophobicContact CD1-CG 4.23Å; I407-L462 HydrophobicContact CG1-CD1 4.23Å; I407-L462 HydrophobicContact CG1-CD2 3.88Å; I407-L462 HydrophobicContact CG1-CG 3.8Å |
| 463 | S | 88.4 | Confident | 87.2 | Confident | 87 Ų | 87 | 50.5 Ų | 50.5 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12.7 | 177.2 | 69.9 | 0 | 0 | 0 | 0 | 114.2 | D461 | D461-S463 PolarHBondContact O-N 2.79Å; D461-S463 WeakPolarHBondContact OD1-CB 3.3Å; D461-S463 PolarHBondContact OD1-N 3.2Å; D461-S463 PolarHBondContact OD1-OG 3.05Å |
| 464 | L | 90.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 48 Ų | 48 | 29% | 0.288 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -120.5 | 149 | -170.8 | -58.8 | -179 | 0 | 0 | 0 | 112.2 | L363 R367 D461 A468 N469 K472 | L363-L464 WeakPolarHBondContact CD1-O 3.33Å; R367-L464 PolarHBondContact NH2-O 3.33Å; D461-L464 HydrophobicContact CB-CB 4.31Å; D461-L464 HydrophobicContact CB-CD1 4.07Å; D461-L464 HydrophobicContact CB-CG 4.17Å; D461-L464 PolarHBondContact O-N 3.49Å; L464-A468 HydrophobicContact CB-CB 3.92Å; L464-A468 HydrophobicContact CD2-CB 4.5Å; L464-N469 PolarHBondContact O-ND2 3.06Å; L464-N469 VanDerWaalsContact O-ND2 3.1Å; L464-K472 HydrophobicContact CD1-CD 3.85Å |
| 465 | S | 92.3 | Very high | 90 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | -65.1 | 165.2 | 169.6 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | E360 Y467 A468 N469 | E360-S465 WeakPolarHBondContact OE2-CA 3.49Å; E360-S465 WeakPolarHBondContact OE2-CB 3.5Å; S465-Y467 VanDerWaalsContact C-N 3.3Å; S465-Y467 PolarHBondContact O-N 3.03Å; S465-A468 PolarHBondContact O-N 3.16Å; S465-A468 VanDerWaalsContact O-N 3.11Å; S465-A468 WeakPolarHBondContact OG-CB 3.4Å; S465-A468 PolarHBondContact OG-N 3.46Å; S465-N469 PolarHBondContact O-N 2.82Å; S465-N469 PolarHBondContact O-ND2 3.02Å | ||
| 466 | A | 89.4 | Confident | 90.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V352 L356 V359 E360 L363 N469 A470 | V352-A466 WeakPolarHBondContact CG1-O 3.35Å; L356-A466 HydrophobicContact CD2-CB 3.57Å; V359-A466 HydrophobicContact CB-CB 3.95Å; V359-A466 HydrophobicContact CG1-CB 3.69Å; E360-A466 HydrophobicContact CB-CB 4.22Å; E360-A466 WeakPolarHBondContact OE2-CB 3.34Å; E360-A466 PolarHBondContact OE2-N 3.38Å; L363-A466 HydrophobicContact CD1-CB 4.37Å; A466-N469 WeakPolarHBondContact O-CB 3.45Å; A466-N469 PolarHBondContact O-N 2.88Å; A466-A470 PolarHBondContact O-N 3.37Å |
| 467 | Y | 91.3 | Very high | 91.1 | Very high | 155 Ų | 155 | 46.6 Ų | 46.6 | 61% | 0.608 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.1 | -41.4 | 172.3 | -88.4 | -71.7 | 0 | 0 | 0 | 113.3 | L356 S465 N469 A470 K471 | L356-Y467 HydrophobicContact CD1-CD1 4.22Å; L356-Y467 HydrophobicContact CD1-CD2 4.19Å; L356-Y467 HydrophobicContact CD1-CE1 3.66Å; L356-Y467 HydrophobicContact CD1-CE2 3.63Å; L356-Y467 HydrophobicContact CD1-CG 4.47Å; L356-Y467 HydrophobicContact CD2-CD1 4.35Å; L356-Y467 HydrophobicContact CD2-CD2 4.16Å; L356-Y467 HydrophobicContact CD2-CE2 4.42Å; L356-Y467 HydrophobicContact CD2-CG 4.13Å; S465-Y467 VanDerWaalsContact C-N 3.3Å; S465-Y467 PolarHBondContact O-N 3.03Å; Y467-N469 VanDerWaalsContact C-N 3.3Å; Y467-N469 PolarHBondContact O-N 3.2Å; Y467-A470 PolarHBondContact O-N 3.01Å; Y467-K471 WeakPolarHBondContact O-CB 3.41Å; Y467-K471 PolarHBondContact O-N 3.32Å |
| 468 | A | 91.6 | Very high | 91.2 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 28% | 0.281 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.8 | -32.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L464 S465 K472 | L464-A468 HydrophobicContact CB-CB 3.92Å; L464-A468 HydrophobicContact CD2-CB 4.5Å; S465-A468 PolarHBondContact O-N 3.16Å; S465-A468 VanDerWaalsContact O-N 3.11Å; S465-A468 WeakPolarHBondContact OG-CB 3.4Å; S465-A468 PolarHBondContact OG-N 3.46Å; A468-K472 WeakPolarHBondContact O-CB 3.49Å; A468-K472 PolarHBondContact O-N 3.43Å |
| 469 | N | 91.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -44 | 170.7 | -83.7 | -67.5 | 0 | 0 | 0 | 112.7 | V460 D461 L464 S465 A466 Y467 K471 K472 Y473 | V460-N469 HydrophobicContact CG1-CB 4.16Å; V460-N469 WeakPolarHBondContact CG1-ND2 3.37Å; D461-N469 WeakPolarHBondContact CB-OD1 3.41Å; D461-N469 PolarHBondContact N-OD1 3.48Å; D461-N469 PolarHBondContact O-ND2 2.81Å; D461-N469 VanDerWaalsContact O-ND2 3.09Å; L464-N469 PolarHBondContact O-ND2 3.06Å; L464-N469 VanDerWaalsContact O-ND2 3.1Å; S465-N469 PolarHBondContact O-N 2.82Å; S465-N469 PolarHBondContact O-ND2 3.02Å; A466-N469 WeakPolarHBondContact O-CB 3.45Å; A466-N469 PolarHBondContact O-N 2.88Å; Y467-N469 VanDerWaalsContact C-N 3.3Å; Y467-N469 PolarHBondContact O-N 3.2Å; N469-K471 VanDerWaalsContact C-N 3.35Å; N469-K471 PolarHBondContact O-N 2.87Å; N469-K472 WeakPolarHBondContact O-CB 3.32Å; N469-K472 PolarHBondContact O-N 2.96Å; N469-Y473 WeakPolarHBondContact O-CD2 3.48Å; N469-Y473 PolarHBondContact O-N 2.83Å |
| 470 | A | 91.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V352 E353 A466 Y467 K472 Y473 Y474 | V352-A470 HydrophobicContact CB-CB 4.16Å; V352-A470 HydrophobicContact CG1-CB 3.91Å; E353-A470 HydrophobicContact CG-CB 3.73Å; A466-A470 PolarHBondContact O-N 3.37Å; Y467-A470 PolarHBondContact O-N 3.01Å; A470-K472 VanDerWaalsContact C-N 3.35Å; A470-K472 PolarHBondContact O-N 2.99Å; A470-Y473 WeakPolarHBondContact O-CB 3.45Å; A470-Y473 PolarHBondContact O-N 3.3Å; A470-Y473 VanDerWaalsContact O-N 3.12Å; A470-Y474 VanDerWaalsContact O-CD2 3.28Å; A470-Y474 WeakPolarHBondContact O-CD2 3.35Å; A470-Y474 PolarHBondContact O-N 3.49Å |
| 471 | K | 92.8 | Very high | 91.1 | Very high | 132 Ų | 132 | 54 Ų | 54 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 176.3 | -174.3 | 179.9 | 176 | -175.4 | 0 | 112.7 | Y467 N469 Y473 Y474 D475 | Y467-K471 WeakPolarHBondContact O-CB 3.41Å; Y467-K471 PolarHBondContact O-N 3.32Å; N469-K471 VanDerWaalsContact C-N 3.35Å; N469-K471 PolarHBondContact O-N 2.87Å; K471-Y473 VanDerWaalsContact C-N 3.26Å; K471-Y473 PolarHBondContact O-N 2.92Å; K471-Y474 PolarHBondContact O-N 2.88Å; K471-Y474 VanDerWaalsContact O-N 3.09Å; K471-D475 WeakPolarHBondContact CE-OD2 3.41Å; K471-D475 PolarHBondContact O-N 3.3Å |
| 472 | K | 92.5 | Very high | 91.2 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.6 | -43.1 | 174.3 | -174.6 | 178.4 | 175.9 | -173.1 | 0 | 110.9 | H406 D461 L464 A468 N469 A470 H476 | H406-K472 PolarHBondContact NE2-NZ 2.91Å; D461-K472 IonicContact OD2-NZ 3.76Å; D461-K472 PolarHBondContact OD2-NZ 3.13Å; L464-K472 HydrophobicContact CD1-CD 3.85Å; A468-K472 WeakPolarHBondContact O-CB 3.49Å; A468-K472 PolarHBondContact O-N 3.43Å; N469-K472 WeakPolarHBondContact O-CB 3.32Å; N469-K472 PolarHBondContact O-N 2.96Å; A470-K472 VanDerWaalsContact C-N 3.35Å; A470-K472 PolarHBondContact O-N 2.99Å; K472-H476 WeakPolarHBondContact O-CB 3.06Å; K472-H476 PolarHBondContact O-CD2 2.99Å; K472-H476 PolarHBondContact O-N 3.13Å |
| 473 | Y | 92.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 7% | 0.071 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.2 | -38.5 | 174.5 | -75.5 | -61.8 | 0 | 0 | 0 | 114.2 | D345 R348 V458 D459 N469 A470 K471 H476 K477 | D345-Y473 HydrophobicContact CB-CD1 4.21Å; R348-Y473 HydrophobicContact CB-CD1 3.95Å; R348-Y473 HydrophobicContact CB-CD2 4.05Å; R348-Y473 HydrophobicContact CB-CE1 4.11Å; R348-Y473 HydrophobicContact CB-CE2 4.17Å; R348-Y473 HydrophobicContact CB-CG 3.93Å; R348-Y473 HydrophobicContact CG-CE1 4.42Å; V458-Y473 HydrophobicContact CG1-CD2 4.4Å; V458-Y473 HydrophobicContact CG1-CE2 3.47Å; V458-Y473 VanDerWaalsContact CG1-CE2 3.47Å; D459-Y473 PolarHBondContact N-OH 3.4Å; D459-Y473 PolarHBondContact O-OH 2.98Å; N469-Y473 WeakPolarHBondContact O-CD2 3.48Å; N469-Y473 PolarHBondContact O-N 2.83Å; A470-Y473 WeakPolarHBondContact O-CB 3.45Å; A470-Y473 PolarHBondContact O-N 3.3Å; A470-Y473 VanDerWaalsContact O-N 3.12Å; K471-Y473 VanDerWaalsContact C-N 3.26Å; K471-Y473 PolarHBondContact O-N 2.92Å; Y473-H476 WeakPolarHBondContact O-CB 3.49Å; Y473-H476 PolarHBondContact O-N 3.34Å; Y473-K477 WeakPolarHBondContact O-CB 3.32Å; Y473-K477 PolarHBondContact O-N 2.96Å |
| 474 | Y | 92.2 | Very high | 91.3 | Very high | 50 Ų | 50 | 63.2 Ų | 63.2 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69 | -34.8 | 174.5 | -71.5 | -60 | 0 | 0 | 0 | 113.9 | E350 E353 A470 K471 K477 R478 | E350-Y474 WeakPolarHBondContact CG-OH 3.31Å; E353-Y474 VanDerWaalsContact CD-CE2 3.49Å; E353-Y474 HydrophobicContact CG-CE2 4.43Å; E353-Y474 WeakPolarHBondContact OE1-CE2 3.32Å; E353-Y474 VanDerWaalsContact OE2-CE2 3.29Å; E353-Y474 WeakPolarHBondContact OE2-CE2 3.16Å; E353-Y474 PolarHBondContact OE2-OH 2.88Å; A470-Y474 VanDerWaalsContact O-CD2 3.28Å; A470-Y474 WeakPolarHBondContact O-CD2 3.35Å; A470-Y474 PolarHBondContact O-N 3.49Å; K471-Y474 PolarHBondContact O-N 2.88Å; K471-Y474 VanDerWaalsContact O-N 3.09Å; Y474-K477 HydrophobicContact CD1-CD 4.18Å; Y474-K477 WeakPolarHBondContact O-CB 3.32Å; Y474-K477 PolarHBondContact O-N 3.25Å; Y474-R478 VanDerWaalsContact O-CG 3.31Å; Y474-R478 WeakPolarHBondContact O-CG 3.44Å; Y474-R478 PolarHBondContact O-N 3.41Å |
| 475 | D | 92.9 | Very high | 91.3 | Very high | 57 Ų | 57 | 66.2 Ų | 66.2 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.5 | -32.5 | 173.3 | -72.3 | -33.6 | 0 | 0 | 0 | 110.8 | K471 R478 T479 | K471-D475 WeakPolarHBondContact CE-OD2 3.41Å; K471-D475 PolarHBondContact O-N 3.3Å; D475-R478 PolarHBondContact O-N 3.35Å; D475-R478 VanDerWaalsContact OD1-CD 3.29Å; D475-R478 WeakPolarHBondContact OD1-CD 3.43Å; D475-R478 IonicContact OD1-CZ 3.17Å; D475-R478 IonicContact OD1-NE 2.7Å; D475-R478 IonicContact OD1-NH1 2.79Å; D475-R478 PolarHBondContact OD1-NH1 3.36Å; D475-T479 WeakPolarHBondContact O-CG2 3.29Å; D475-T479 PolarHBondContact O-N 2.97Å |
| 476 | H | 90.7 | Very high | 91.2 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -52.1 | 164.9 | -71.6 | -175.7 | 0 | 0 | 0 | 111.7 | K472 Y473 R478 T479 A480 | K472-H476 WeakPolarHBondContact O-CB 3.06Å; K472-H476 PolarHBondContact O-CD2 2.99Å; K472-H476 PolarHBondContact O-N 3.13Å; Y473-H476 WeakPolarHBondContact O-CB 3.49Å; Y473-H476 PolarHBondContact O-N 3.34Å; H476-R478 VanDerWaalsContact C-N 3.28Å; H476-R478 PolarHBondContact O-N 3.01Å; H476-T479 CarbonylContact O-C 3.52Å; H476-T479 PolarHBondContact O-N 2.98Å; H476-T479 PolarHBondContact O-OG1 3.47Å; H476-A480 PolarHBondContact O-N 3.4Å |
| 477 | K | 92.8 | Very high | 91.2 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.6 | -43.3 | 174 | -179.7 | -166.9 | -179.4 | -177.3 | 0 | 112.2 | Q342 R346 Y473 Y474 A480 A481 | Q342-K477 HydrophobicContact CG-CG 3.74Å; R346-K477 HydrophobicContact CB-CD 3.93Å; R346-K477 HydrophobicContact CG-CD 4.26Å; Y473-K477 WeakPolarHBondContact O-CB 3.32Å; Y473-K477 PolarHBondContact O-N 2.96Å; Y474-K477 HydrophobicContact CD1-CD 4.18Å; Y474-K477 WeakPolarHBondContact O-CB 3.32Å; Y474-K477 PolarHBondContact O-N 3.25Å; K477-A480 PolarHBondContact O-N 2.93Å; K477-A481 PolarHBondContact O-N 3.39Å |
| 478 | R | 91.6 | Very high | 91.2 | Very high | 161 Ų | 161 | 67.8 Ų | 67.8 | 61% | 0.608 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 175.7 | -74.6 | 163.1 | 164.8 | 179.1 | -3.8 | 112.8 | Y474 D475 H476 K482 | Y474-R478 VanDerWaalsContact O-CG 3.31Å; Y474-R478 WeakPolarHBondContact O-CG 3.44Å; Y474-R478 PolarHBondContact O-N 3.41Å; D475-R478 PolarHBondContact O-N 3.35Å; D475-R478 VanDerWaalsContact OD1-CD 3.29Å; D475-R478 WeakPolarHBondContact OD1-CD 3.43Å; D475-R478 IonicContact OD1-CZ 3.17Å; D475-R478 IonicContact OD1-NE 2.7Å; D475-R478 IonicContact OD1-NH1 2.79Å; D475-R478 PolarHBondContact OD1-NH1 3.36Å; H476-R478 VanDerWaalsContact C-N 3.28Å; H476-R478 PolarHBondContact O-N 3.01Å; R478-K482 WeakPolarHBondContact O-CG 3.42Å; R478-K482 PolarHBondContact O-N 3.18Å; R478-K482 VanDerWaalsContact O-N 3.11Å |
| 479 | T | 89.9 | Confident | 91.1 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.9 | -32.4 | 174.1 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | D475 H476 K482 K483 | D475-T479 WeakPolarHBondContact O-CG2 3.29Å; D475-T479 PolarHBondContact O-N 2.97Å; H476-T479 CarbonylContact O-C 3.52Å; H476-T479 PolarHBondContact O-N 2.98Å; H476-T479 PolarHBondContact O-OG1 3.47Å; T479-K482 PolarHBondContact O-N 3.34Å; T479-K483 WeakPolarHBondContact O-CB 3.41Å; T479-K483 WeakPolarHBondContact O-CD 3.36Å; T479-K483 WeakPolarHBondContact O-CG 3.39Å; T479-K483 PolarHBondContact O-N 3.49Å |
| 480 | A | 89.2 | Confident | 90.9 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q342 H476 K477 K482 K483 E484 | Q342-A480 HydrophobicContact CB-CB 4.1Å; H476-A480 PolarHBondContact O-N 3.4Å; K477-A480 PolarHBondContact O-N 2.93Å; A480-K482 PolarHBondContact O-N 3.05Å; A480-K483 CarbonylContact O-C 3.49Å; A480-K483 WeakPolarHBondContact O-CA 3.21Å; A480-K483 WeakPolarHBondContact O-CB 3.27Å; A480-K483 PolarHBondContact O-N 3.45Å; A480-E484 WeakPolarHBondContact O-CB 3.09Å; A480-E484 PolarHBondContact O-N 3.45Å |
| 481 | A | 90.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 73.3 Ų | 73.3 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K477 K483 E484 Q485 | K477-A481 PolarHBondContact O-N 3.39Å; A481-K483 VanDerWaalsContact C-N 3.31Å; A481-K483 PolarHBondContact O-N 3.01Å; A481-E484 WeakPolarHBondContact O-CB 3.38Å; A481-E484 PolarHBondContact O-N 2.91Å; A481-Q485 PolarHBondContact O-N 2.96Å |
| 482 | K | 92.3 | Very high | 90.5 | Very high | 146 Ų | 146 | 72.6 Ų | 72.6 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.2 | -29.8 | 175.6 | -73.6 | -178.1 | 177.1 | -176.2 | 0 | 113.2 | R478 T479 A480 K486 | R478-K482 WeakPolarHBondContact O-CG 3.42Å; R478-K482 PolarHBondContact O-N 3.18Å; R478-K482 VanDerWaalsContact O-N 3.11Å; T479-K482 PolarHBondContact O-N 3.34Å; A480-K482 PolarHBondContact O-N 3.05Å; K482-K486 WeakPolarHBondContact O-CB 3.33Å; K482-K486 VanDerWaalsContact O-CG 3.31Å; K482-K486 WeakPolarHBondContact O-CG 3.43Å; K482-K486 PolarHBondContact O-N 3.46Å |
| 483 | K | 90.4 | Very high | 90.3 | Very high | 120 Ų | 120 | 77.2 Ų | 77.2 | 52% | 0.522 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.6 | -40.1 | 172 | -74 | 161.6 | -177.2 | 165.8 | 0 | 111.2 | L338 T479 A480 A481 T487 | L338-K483 HydrophobicContact CD2-CB 4.34Å; T479-K483 WeakPolarHBondContact O-CB 3.41Å; T479-K483 WeakPolarHBondContact O-CD 3.36Å; T479-K483 WeakPolarHBondContact O-CG 3.39Å; T479-K483 PolarHBondContact O-N 3.49Å; A480-K483 CarbonylContact O-C 3.49Å; A480-K483 WeakPolarHBondContact O-CA 3.21Å; A480-K483 WeakPolarHBondContact O-CB 3.27Å; A480-K483 PolarHBondContact O-N 3.45Å; A481-K483 VanDerWaalsContact C-N 3.31Å; A481-K483 PolarHBondContact O-N 3.01Å; K483-T487 VanDerWaalsContact O-CB 3.27Å; K483-T487 WeakPolarHBondContact O-CB 3.47Å; K483-T487 PolarHBondContact O-N 3.35Å; K483-T487 PolarHBondContact O-OG1 3.22Å |
| 484 | E | 89.5 | Confident | 89.9 | Confident | 43 Ų | 43 | 78 Ų | 78 | 20% | 0.201 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -54 | 177 | -173.1 | -178 | -173.1 | 0 | 0 | 111.1 | L335 L338 A480 A481 K486 T487 V488 | L335-E484 HydrophobicContact CD2-CG 3.9Å; L338-E484 HydrophobicContact CB-CB 4.4Å; L338-E484 HydrophobicContact CD1-CB 4.43Å; A480-E484 WeakPolarHBondContact O-CB 3.09Å; A480-E484 PolarHBondContact O-N 3.45Å; A481-E484 WeakPolarHBondContact O-CB 3.38Å; A481-E484 PolarHBondContact O-N 2.91Å; E484-K486 PolarHBondContact O-N 2.77Å; E484-T487 CarbonylContact O-C 3.57Å; E484-T487 WeakPolarHBondContact O-CA 3.46Å; E484-T487 WeakPolarHBondContact O-CB 3.44Å; E484-T487 PolarHBondContact O-N 2.56Å; E484-V488 WeakPolarHBondContact O-CG2 3.31Å; E484-V488 PolarHBondContact O-N 3.39Å |
| 485 | Q | 89.9 | Confident | 89.7 | Confident | 118 Ų | 118 | 78.8 Ų | 78.8 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -54.2 | -49.9 | 177 | -175.7 | -172.8 | -16.9 | 0 | 0 | 111.7 | A481 T487 V488 E489 | A481-Q485 PolarHBondContact O-N 2.96Å; Q485-T487 PolarHBondContact O-N 3.36Å; Q485-V488 WeakPolarHBondContact O-CB 3.25Å; Q485-V488 PolarHBondContact O-N 3.34Å; Q485-V488 VanDerWaalsContact O-N 3.13Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.24Å; Q485-E489 PolarHBondContact NE2-OE1 3.46Å; Q485-E489 PolarHBondContact O-N 2.72Å |
| 486 | K | 91.4 | Very high | 89.5 | Confident | 150 Ų | 150 | 83.1 Ų | 83.1 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.9 | -31.7 | 176 | -72.8 | -176.8 | 176.3 | -166 | 0 | 112.8 | K482 E484 A490 | K482-K486 WeakPolarHBondContact O-CB 3.33Å; K482-K486 VanDerWaalsContact O-CG 3.31Å; K482-K486 WeakPolarHBondContact O-CG 3.43Å; K482-K486 PolarHBondContact O-N 3.46Å; E484-K486 PolarHBondContact O-N 2.77Å; K486-A490 WeakPolarHBondContact O-CB 3.5Å; K486-A490 PolarHBondContact O-N 3.4Å |
| 487 | T | 88.9 | Confident | 89.4 | Confident | 37 Ų | 37 | 82 Ų | 82 | 23% | 0.227 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.3 | -36.3 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | L335 L338 K483 E484 Q485 A491 | L335-T487 HydrophobicContact CD2-CG2 3.75Å; L335-T487 HydrophobicContact CG-CG2 4.27Å; L338-T487 HydrophobicContact CD1-CG2 4.35Å; K483-T487 VanDerWaalsContact O-CB 3.27Å; K483-T487 WeakPolarHBondContact O-CB 3.47Å; K483-T487 PolarHBondContact O-N 3.35Å; K483-T487 PolarHBondContact O-OG1 3.22Å; E484-T487 CarbonylContact O-C 3.57Å; E484-T487 WeakPolarHBondContact O-CA 3.46Å; E484-T487 WeakPolarHBondContact O-CB 3.44Å; E484-T487 PolarHBondContact O-N 2.56Å; Q485-T487 PolarHBondContact O-N 3.36Å; T487-A491 WeakPolarHBondContact O-CB 3.48Å; T487-A491 PolarHBondContact O-N 2.83Å |
| 488 | V | 90.5 | Very high | 89 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 33% | 0.327 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | L335 E484 Q485 A490 A491 Q492 | L335-V488 HydrophobicContact CD1-CG2 4Å; L335-V488 HydrophobicContact CD2-CG2 3.59Å; L335-V488 HydrophobicContact CG-CG2 4.48Å; E484-V488 WeakPolarHBondContact O-CG2 3.31Å; E484-V488 PolarHBondContact O-N 3.39Å; Q485-V488 WeakPolarHBondContact O-CB 3.25Å; Q485-V488 PolarHBondContact O-N 3.34Å; Q485-V488 VanDerWaalsContact O-N 3.13Å; V488-A490 VanDerWaalsContact C-N 3.35Å; V488-A490 PolarHBondContact O-N 3.02Å; V488-A491 PolarHBondContact O-N 3.31Å; V488-Q492 WeakPolarHBondContact O-CG 3.34Å; V488-Q492 PolarHBondContact O-N 3.14Å |
| 489 | E | 89.3 | Confident | 88.9 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 178.4 | -69 | 170.9 | -155.1 | 0 | 0 | 112 | Q485 K493 | Q485-E489 WeakPolarHBondContact CG-OE1 3.24Å; Q485-E489 PolarHBondContact NE2-OE1 3.46Å; Q485-E489 PolarHBondContact O-N 2.72Å; E489-K493 WeakPolarHBondContact O-CG 3.38Å; E489-K493 PolarHBondContact O-N 3.11Å; E489-K493 VanDerWaalsContact O-N 3.16Å |
| 490 | A | 89.3 | Confident | 88.8 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K486 V488 K493 A494 | K486-A490 WeakPolarHBondContact O-CB 3.5Å; K486-A490 PolarHBondContact O-N 3.4Å; V488-A490 VanDerWaalsContact C-N 3.35Å; V488-A490 PolarHBondContact O-N 3.02Å; A490-K493 PolarHBondContact O-N 2.6Å; A490-A494 VanDerWaalsContact O-CB 3.22Å; A490-A494 WeakPolarHBondContact O-CB 3.42Å; A490-A494 PolarHBondContact O-N 2.82Å |
| 491 | A | 87.1 | Confident | 88.7 | Confident | 13 Ų | 13 | 85.8 Ų | 85.8 | 11% | 0.107 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | H331 T487 V488 A494 F495 | H331-A491 HydrophobicContact CB-CB 4.01Å; H331-A491 WeakPolarHBondContact ND1-CB 3.31Å; T487-A491 WeakPolarHBondContact O-CB 3.48Å; T487-A491 PolarHBondContact O-N 2.83Å; V488-A491 PolarHBondContact O-N 3.31Å; A491-A494 PolarHBondContact O-N 2.9Å; A491-F495 WeakPolarHBondContact O-CB 3.4Å; A491-F495 PolarHBondContact O-N 2.92Å |
| 492 | Q | 87.6 | Confident | 88.5 | Confident | 116 Ų | 116 | 84.8 Ų | 84.8 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.9 | -71.9 | -179.7 | 10.9 | 0 | 0 | 111.8 | V488 F495 K496 | V488-Q492 WeakPolarHBondContact O-CG 3.34Å; V488-Q492 PolarHBondContact O-N 3.14Å; Q492-F495 PolarHBondContact O-N 3.11Å; Q492-K496 WeakPolarHBondContact O-CG 3.32Å; Q492-K496 PolarHBondContact O-N 3.22Å |
| 493 | K | 88.3 | Confident | 88.3 | Confident | 155 Ų | 155 | 82.3 Ų | 82.3 | 67% | 0.674 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 176.5 | -71.3 | 173.4 | -179.7 | 173.8 | 0 | 111.4 | E489 A490 S497 | E489-K493 WeakPolarHBondContact O-CG 3.38Å; E489-K493 PolarHBondContact O-N 3.11Å; E489-K493 VanDerWaalsContact O-N 3.16Å; A490-K493 PolarHBondContact O-N 2.6Å; K493-S497 WeakPolarHBondContact O-CB 3.49Å; K493-S497 PolarHBondContact O-N 2.91Å; K493-S497 VanDerWaalsContact O-N 3.08Å |
| 494 | A | 84.6 | Confident | 88 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A490 A491 S497 A498 | A490-A494 VanDerWaalsContact O-CB 3.22Å; A490-A494 WeakPolarHBondContact O-CB 3.42Å; A490-A494 PolarHBondContact O-N 2.82Å; A491-A494 PolarHBondContact O-N 2.9Å; A494-S497 PolarHBondContact O-N 3.37Å; A494-S497 PolarHBondContact O-OG 3.16Å; A494-A498 WeakPolarHBondContact O-CB 3.45Å; A494-A498 PolarHBondContact O-N 3.45Å |
| 495 | F | 86.6 | Confident | 87.8 | Confident | 68 Ų | 68 | 82 Ų | 82 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.1 | -50.9 | 179.1 | -174.1 | -91.9 | 0 | 0 | 0 | 111.7 | L324 K328 A491 Q492 S497 A498 E499 | L324-F495 HydrophobicContact CD1-CD2 4.15Å; L324-F495 HydrophobicContact CD1-CE2 3.87Å; L324-F495 HydrophobicContact CD1-CZ 4.4Å; L324-F495 HydrophobicContact CD2-CZ 4.5Å; L324-F495 HydrophobicContact CG-CE2 4.08Å; K328-F495 HydrophobicContact CB-CE2 4.34Å; K328-F495 HydrophobicContact CD-CE2 4.28Å; K328-F495 HydrophobicContact CG-CE2 4.48Å; A491-F495 WeakPolarHBondContact O-CB 3.4Å; A491-F495 PolarHBondContact O-N 2.92Å; Q492-F495 PolarHBondContact O-N 3.11Å; F495-S497 PolarHBondContact O-N 2.93Å; F495-A498 PolarHBondContact O-N 2.89Å; F495-A498 VanDerWaalsContact O-N 3.09Å; F495-E499 VanDerWaalsContact O-CB 3.3Å; F495-E499 WeakPolarHBondContact O-CB 3.49Å; F495-E499 PolarHBondContact O-N 2.91Å |
| 496 | K | 88.8 | Confident | 87.5 | Confident | 148 Ų | 148 | 77 Ų | 77 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -56.5 | -38.5 | 175.2 | -72.8 | -179.9 | 178.1 | -176.7 | 0 | 112.1 | Q492 K500 | Q492-K496 WeakPolarHBondContact O-CG 3.32Å; Q492-K496 PolarHBondContact O-N 3.22Å; K496-K500 WeakPolarHBondContact O-CB 3.32Å; K496-K500 PolarHBondContact O-N 3.44Å |
| 497 | S | 88.6 | Confident | 87.2 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.7 | -37 | 176.7 | 85.8 | 0 | 0 | 0 | 0 | 113.4 | K493 A494 F495 K501 | K493-S497 WeakPolarHBondContact O-CB 3.49Å; K493-S497 PolarHBondContact O-N 2.91Å; K493-S497 VanDerWaalsContact O-N 3.08Å; A494-S497 PolarHBondContact O-N 3.37Å; A494-S497 PolarHBondContact O-OG 3.16Å; F495-S497 PolarHBondContact O-N 2.93Å; S497-K501 VanDerWaalsContact O-CG 3.31Å; S497-K501 WeakPolarHBondContact O-CG 3.14Å; S497-K501 PolarHBondContact O-N 3.49Å; S497-K501 VanDerWaalsContact O-N 3.12Å |
| 498 | A | 85.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.8 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L324 A494 F495 K501 T502 | L324-A498 HydrophobicContact CD1-CB 3.77Å; A494-A498 WeakPolarHBondContact O-CB 3.45Å; A494-A498 PolarHBondContact O-N 3.45Å; F495-A498 PolarHBondContact O-N 2.89Å; F495-A498 VanDerWaalsContact O-N 3.09Å; A498-K501 PolarHBondContact O-N 3.05Å; A498-T502 WeakPolarHBondContact O-CB 3.31Å; A498-T502 PolarHBondContact O-N 2.71Å; A498-T502 PolarHBondContact O-OG1 3.3Å; A498-T502 VanDerWaalsContact O-OG1 3.1Å |
| 499 | E | 88.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 174.1 | -167.7 | -158.2 | 143.6 | 0 | 0 | 111.4 | L324 F495 K501 T502 K503 | L324-E499 HydrophobicContact CD1-CB 4.5Å; F495-E499 VanDerWaalsContact O-CB 3.3Å; F495-E499 WeakPolarHBondContact O-CB 3.49Å; F495-E499 PolarHBondContact O-N 2.91Å; E499-K501 VanDerWaalsContact C-N 3.35Å; E499-K501 PolarHBondContact O-N 3.07Å; E499-T502 PolarHBondContact O-N 3.34Å; E499-K503 HydrophobicContact CG-CD 4.33Å; E499-K503 WeakPolarHBondContact O-CB 3.25Å; E499-K503 WeakPolarHBondContact O-CG 3.28Å; E499-K503 PolarHBondContact O-N 3.36Å; E499-K503 VanDerWaalsContact OE1-CE 3.24Å; E499-K503 WeakPolarHBondContact OE1-CE 3.42Å; E499-K503 IonicContact OE1-NZ 2.82Å; E499-K503 PolarHBondContact OE1-NZ 3.22Å |
| 500 | K | 88.6 | Confident | 86.1 | Confident | 157 Ų | 157 | 77 Ų | 77 | 68% | 0.683 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 175.2 | -174.1 | 171.6 | -178.7 | 173.9 | 0 | 112 | K496 Q504 | K496-K500 WeakPolarHBondContact O-CB 3.32Å; K496-K500 PolarHBondContact O-N 3.44Å; K500-Q504 WeakPolarHBondContact O-CB 3.18Å; K500-Q504 PolarHBondContact O-N 3Å |
| 501 | K | 88.1 | Confident | 85.7 | Confident | 141 Ų | 141 | 76.3 Ų | 76.3 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 174.9 | -74.5 | 169.6 | -179.4 | 172.9 | 0 | 111.9 | S497 A498 E499 Q504 T505 | S497-K501 VanDerWaalsContact O-CG 3.31Å; S497-K501 WeakPolarHBondContact O-CG 3.14Å; S497-K501 PolarHBondContact O-N 3.49Å; S497-K501 VanDerWaalsContact O-N 3.12Å; A498-K501 PolarHBondContact O-N 3.05Å; E499-K501 VanDerWaalsContact C-N 3.35Å; E499-K501 PolarHBondContact O-N 3.07Å; K501-Q504 PolarHBondContact O-N 2.95Å; K501-T505 WeakPolarHBondContact O-CG2 3.43Å; K501-T505 PolarHBondContact O-N 2.85Å; K501-T505 PolarHBondContact O-OG1 3.03Å |
| 502 | T | 85.6 | Confident | 85.4 | Confident | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.08 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | L260 A320 L321 A498 E499 Q504 T505 L506 | L260-T502 HydrophobicContact CD1-CG2 4.47Å; A320-T502 HydrophobicContact CB-CG2 4.21Å; L321-T502 HydrophobicContact CD2-CG2 4.11Å; A498-T502 WeakPolarHBondContact O-CB 3.31Å; A498-T502 PolarHBondContact O-N 2.71Å; A498-T502 PolarHBondContact O-OG1 3.3Å; A498-T502 VanDerWaalsContact O-OG1 3.1Å; E499-T502 PolarHBondContact O-N 3.34Å; T502-Q504 VanDerWaalsContact C-N 3.27Å; T502-Q504 PolarHBondContact O-N 3.49Å; T502-T505 WeakPolarHBondContact CA-OG1 3.5Å; T502-T505 PolarHBondContact O-N 3.09Å; T502-T505 VanDerWaalsContact O-N 3.1Å; T502-T505 PolarHBondContact O-OG1 2.79Å; T502-L506 HydrophobicContact CG2-CD1 3.94Å; T502-L506 HydrophobicContact CG2-CG 4.34Å; T502-L506 VanDerWaalsContact O-CG 3.31Å; T502-L506 WeakPolarHBondContact O-CG 3.18Å; T502-L506 PolarHBondContact O-N 2.99Å |
| 503 | K | 86.9 | Confident | 85 | Confident | 95 Ų | 95 | 72.3 Ų | 72.3 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.9 | -41.9 | 174.8 | -79.8 | 177 | 167.3 | 172.7 | 0 | 112.1 | L260 E499 K507 | L260-K503 HydrophobicContact CD1-CB 4.48Å; L260-K503 HydrophobicContact CD1-CD 4.37Å; L260-K503 HydrophobicContact CD1-CG 3.41Å; L260-K503 VanDerWaalsContact CD1-CG 3.41Å; E499-K503 HydrophobicContact CG-CD 4.33Å; E499-K503 WeakPolarHBondContact O-CB 3.25Å; E499-K503 WeakPolarHBondContact O-CG 3.28Å; E499-K503 PolarHBondContact O-N 3.36Å; E499-K503 VanDerWaalsContact OE1-CE 3.24Å; E499-K503 WeakPolarHBondContact OE1-CE 3.42Å; E499-K503 IonicContact OE1-NZ 2.82Å; E499-K503 PolarHBondContact OE1-NZ 3.22Å; K503-K507 PolarHBondContact O-N 3.46Å |
| 504 | Q | 85.3 | Confident | 84.7 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -50.9 | 174 | -178.2 | 177.2 | -16.7 | 0 | 0 | 111.8 | K500 K501 T502 L506 K507 E508 | K500-Q504 WeakPolarHBondContact O-CB 3.18Å; K500-Q504 PolarHBondContact O-N 3Å; K501-Q504 PolarHBondContact O-N 2.95Å; T502-Q504 VanDerWaalsContact C-N 3.27Å; T502-Q504 PolarHBondContact O-N 3.49Å; Q504-L506 VanDerWaalsContact C-N 3.26Å; Q504-L506 PolarHBondContact O-N 2.76Å; Q504-K507 PolarHBondContact O-N 3.02Å; Q504-E508 HydrophobicContact CG-CG 4.33Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.42Å; Q504-E508 PolarHBondContact NE2-OE1 2.7Å; Q504-E508 WeakPolarHBondContact O-CG 3.49Å; Q504-E508 PolarHBondContact O-N 3.15Å |
| 505 | T | 84.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 68 Ų | 68 | 36% | 0.362 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -29.7 | -178.6 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | K501 T502 V509 | K501-T505 WeakPolarHBondContact O-CG2 3.43Å; K501-T505 PolarHBondContact O-N 2.85Å; K501-T505 PolarHBondContact O-OG1 3.03Å; T502-T505 WeakPolarHBondContact CA-OG1 3.5Å; T502-T505 PolarHBondContact O-N 3.09Å; T502-T505 VanDerWaalsContact O-N 3.1Å; T502-T505 PolarHBondContact O-OG1 2.79Å; T505-V509 VanDerWaalsContact O-CG2 3.3Å; T505-V509 WeakPolarHBondContact O-CG2 3.42Å; T505-V509 PolarHBondContact O-N 3.19Å |
| 506 | L | 84 | Confident | 84 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 174.8 | -67.8 | 168.8 | 0 | 0 | 0 | 111 | L260 E317 A320 L321 T502 Q504 E508 V509 Q510 | L260-L506 HydrophobicContact CD1-CD1 3.45Å; L260-L506 VanDerWaalsContact CD1-CD1 3.45Å; L260-L506 HydrophobicContact CG-CD1 3.93Å; E317-L506 HydrophobicContact CB-CD2 3.57Å; E317-L506 HydrophobicContact CG-CD2 3.54Å; A320-L506 HydrophobicContact CB-CD2 4.4Å; L321-L506 HydrophobicContact CD2-CD1 4.48Å; T502-L506 HydrophobicContact CG2-CD1 3.94Å; T502-L506 HydrophobicContact CG2-CG 4.34Å; T502-L506 VanDerWaalsContact O-CG 3.31Å; T502-L506 WeakPolarHBondContact O-CG 3.18Å; T502-L506 PolarHBondContact O-N 2.99Å; Q504-L506 VanDerWaalsContact C-N 3.26Å; Q504-L506 PolarHBondContact O-N 2.76Å; L506-E508 VanDerWaalsContact C-N 3.3Å; L506-E508 PolarHBondContact O-N 2.9Å; L506-V509 PolarHBondContact O-N 2.75Å; L506-Q510 WeakPolarHBondContact O-CG 3.49Å; L506-Q510 PolarHBondContact O-N 2.66Å |
| 507 | K | 84.4 | Confident | 83.2 | Confident | 152 Ų | 152 | 64.9 Ų | 64.9 | 66% | 0.661 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.3 | -42.4 | 173.4 | -71 | -170.5 | 175.3 | -164.3 | 0 | 111.9 | K503 Q504 Q510 T511 | K503-K507 PolarHBondContact O-N 3.46Å; Q504-K507 PolarHBondContact O-N 3.02Å; K507-Q510 PolarHBondContact O-N 2.86Å; K507-T511 PolarHBondContact O-N 2.91Å; K507-T511 PolarHBondContact O-OG1 3.39Å |
| 508 | E | 81.7 | Confident | 82.5 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 178 | -69.1 | 174.8 | 166.6 | 0 | 0 | 112.8 | Q504 L506 T511 V512 R1044 | Q504-E508 HydrophobicContact CG-CG 4.33Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.42Å; Q504-E508 PolarHBondContact NE2-OE1 2.7Å; Q504-E508 WeakPolarHBondContact O-CG 3.49Å; Q504-E508 PolarHBondContact O-N 3.15Å; L506-E508 VanDerWaalsContact C-N 3.3Å; L506-E508 PolarHBondContact O-N 2.9Å; E508-T511 PolarHBondContact O-OG1 2.72Å; E508-V512 WeakPolarHBondContact O-CB 3.4Å; E508-V512 VanDerWaalsContact O-CG2 3.31Å; E508-V512 WeakPolarHBondContact O-CG2 3.27Å; E508-V512 PolarHBondContact O-N 3.46Å; E508-R1044 IonicContact OE1-CZ 2.65Å; E508-R1044 IonicContact OE1-NH1 2.7Å; E508-R1044 PolarHBondContact OE1-NH1 3.4Å; E508-R1044 IonicContact OE1-NH2 2.6Å; E508-R1044 PolarHBondContact OE1-NH2 3.38Å |
| 509 | V | 83.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 173.2 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | A313 Q316 E317 T505 L506 T513 | A313-V509 HydrophobicContact CB-CG1 3.75Å; Q316-V509 HydrophobicContact CB-CG1 4.5Å; Q316-V509 HydrophobicContact CB-CG2 4.22Å; E317-V509 HydrophobicContact CG-CG1 4.32Å; T505-V509 VanDerWaalsContact O-CG2 3.3Å; T505-V509 WeakPolarHBondContact O-CG2 3.42Å; T505-V509 PolarHBondContact O-N 3.19Å; L506-V509 PolarHBondContact O-N 2.75Å; V509-T513 WeakPolarHBondContact O-CB 3.2Å; V509-T513 PolarHBondContact O-N 3.11Å; V509-T513 PolarHBondContact O-OG1 2.93Å |
| 510 | Q | 80.8 | Confident | 81.5 | Confident | 100 Ų | 100 | 71.5 Ų | 71.5 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.2 | -47.3 | -179.8 | -70 | 170.3 | 1 | 0 | 0 | 111.9 | E317 L506 K507 V512 T513 T514 | E317-Q510 PolarHBondContact OE1-NE2 3.06Å; L506-Q510 WeakPolarHBondContact O-CG 3.49Å; L506-Q510 PolarHBondContact O-N 2.66Å; K507-Q510 PolarHBondContact O-N 2.86Å; Q510-V512 PolarHBondContact O-N 3.39Å; Q510-T513 WeakPolarHBondContact O-CB 3.31Å; Q510-T513 PolarHBondContact O-N 2.81Å; Q510-T514 PolarHBondContact O-N 3.28Å; Q510-T514 VanDerWaalsContact O-N 3.16Å; Q510-T514 PolarHBondContact O-OG1 2.91Å |
| 511 | T | 81.5 | Confident | 81 | Confident | 41 Ų | 41 | 68.7 Ų | 68.7 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177.9 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | K507 E508 T513 T514 I515 D1041 | K507-T511 PolarHBondContact O-N 2.91Å; K507-T511 PolarHBondContact O-OG1 3.39Å; E508-T511 PolarHBondContact O-OG1 2.72Å; T511-T513 VanDerWaalsContact C-N 3.3Å; T511-T513 PolarHBondContact O-N 2.99Å; T511-T514 PolarHBondContact O-N 3.03Å; T511-I515 VanDerWaalsContact O-CD1 3.3Å; T511-I515 WeakPolarHBondContact O-CD1 3.43Å; T511-I515 VanDerWaalsContact O-CG1 3.25Å; T511-I515 WeakPolarHBondContact O-CG1 3.46Å; T511-I515 PolarHBondContact O-N 2.96Å; T511-D1041 PolarHBondContact OG1-OD2 2.91Å |
| 512 | V | 81.6 | Confident | 80.7 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 176.2 | 167.6 | 0 | 0 | 0 | 0 | 112.2 | E508 Q510 I515 Q516 R1044 | E508-V512 WeakPolarHBondContact O-CB 3.4Å; E508-V512 VanDerWaalsContact O-CG2 3.31Å; E508-V512 WeakPolarHBondContact O-CG2 3.27Å; E508-V512 PolarHBondContact O-N 3.46Å; Q510-V512 PolarHBondContact O-N 3.39Å; V512-I515 PolarHBondContact O-N 3.34Å; V512-Q516 HydrophobicContact CG1-CG 4.25Å; V512-Q516 WeakPolarHBondContact O-CB 3.44Å; V512-Q516 WeakPolarHBondContact O-CG 3.43Å; V512-Q516 PolarHBondContact O-N 2.95Å; V512-R1044 HydrophobicContact CG2-CB 4.49Å |
| 513 | T | 79.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.104 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | I309 A313 V509 Q510 T511 I515 Q516 K517 | I309-T513 HydrophobicContact CG2-CG2 3.96Å; A313-T513 HydrophobicContact CB-CG2 4.39Å; A313-T513 WeakPolarHBondContact CB-OG1 3.4Å; V509-T513 WeakPolarHBondContact O-CB 3.2Å; V509-T513 PolarHBondContact O-N 3.11Å; V509-T513 PolarHBondContact O-OG1 2.93Å; Q510-T513 WeakPolarHBondContact O-CB 3.31Å; Q510-T513 PolarHBondContact O-N 2.81Å; T511-T513 VanDerWaalsContact C-N 3.3Å; T511-T513 PolarHBondContact O-N 2.99Å; T513-I515 PolarHBondContact O-N 3.38Å; T513-Q516 PolarHBondContact O-N 2.81Å; T513-K517 PolarHBondContact O-N 2.91Å |
| 514 | T | 81.5 | Confident | 80.4 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 112 | Q510 T511 Q516 K517 A518 | Q510-T514 PolarHBondContact O-N 3.28Å; Q510-T514 VanDerWaalsContact O-N 3.16Å; Q510-T514 PolarHBondContact O-OG1 2.91Å; T511-T514 PolarHBondContact O-N 3.03Å; T514-Q516 PolarHBondContact O-N 2.79Å; T514-K517 PolarHBondContact O-N 2.94Å; T514-A518 PolarHBondContact O-N 3.09Å |
| 515 | I | 80.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.9 | -62.4 | 156.3 | 0 | 0 | 0 | 111.1 | T511 V512 T513 K517 A518 R519 F991 D1041 L1042 S1045 | T511-I515 VanDerWaalsContact O-CD1 3.3Å; T511-I515 WeakPolarHBondContact O-CD1 3.43Å; T511-I515 VanDerWaalsContact O-CG1 3.25Å; T511-I515 WeakPolarHBondContact O-CG1 3.46Å; T511-I515 PolarHBondContact O-N 2.96Å; V512-I515 PolarHBondContact O-N 3.34Å; T513-I515 PolarHBondContact O-N 3.38Å; I515-K517 VanDerWaalsContact C-N 3.33Å; I515-K517 PolarHBondContact O-N 3.32Å; I515-A518 PolarHBondContact O-N 3.07Å; I515-R519 PolarHBondContact O-N 3.34Å; I515-F991 HydrophobicContact CG2-CB 4.17Å; I515-D1041 HydrophobicContact CD1-CB 4.35Å; I515-L1042 HydrophobicContact CB-CD2 4.39Å; I515-L1042 HydrophobicContact CD1-CD2 3.81Å; I515-L1042 HydrophobicContact CG1-CD2 3.86Å; I515-L1042 HydrophobicContact CG2-CD2 3.57Å; I515-S1045 WeakPolarHBondContact CG2-OG 3.25Å |
| 516 | Q | 75.8 | Confident | 80.3 | Confident | 60 Ų | 60 | 63.4 Ų | 63.4 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.8 | -27.3 | 179.2 | -74.9 | -175.8 | 11.2 | 0 | 0 | 113.3 | V512 T513 T514 S1045 | V512-Q516 HydrophobicContact CG1-CG 4.25Å; V512-Q516 WeakPolarHBondContact O-CB 3.44Å; V512-Q516 WeakPolarHBondContact O-CG 3.43Å; V512-Q516 PolarHBondContact O-N 2.95Å; T513-Q516 PolarHBondContact O-N 2.81Å; T514-Q516 PolarHBondContact O-N 2.79Å; Q516-S1045 PolarHBondContact NE2-O 2.97Å |
| 517 | K | 72.4 | Confident | 80.6 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.9 | -33.2 | 169.6 | -78.4 | 175.2 | 160.9 | 176.2 | 0 | 113.2 | I309 D310 T513 T514 I515 | I309-K517 HydrophobicContact CD1-CG 4.26Å; D310-K517 WeakPolarHBondContact OD1-CE 3.49Å; D310-K517 IonicContact OD1-NZ 3.14Å; D310-K517 PolarHBondContact OD1-NZ 3.42Å; D310-K517 WeakPolarHBondContact OD2-CE 3.21Å; D310-K517 IonicContact OD2-NZ 2.76Å; D310-K517 PolarHBondContact OD2-NZ 2.87Å; T513-K517 PolarHBondContact O-N 2.91Å; T514-K517 PolarHBondContact O-N 2.94Å; I515-K517 VanDerWaalsContact C-N 3.33Å; I515-K517 PolarHBondContact O-N 3.32Å |
| 518 | A | 74.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80.1 | -22.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T514 I515 K520 | T514-A518 PolarHBondContact O-N 3.09Å; I515-A518 PolarHBondContact O-N 3.07Å; A518-K520 PolarHBondContact O-N 3.03Å |
| 519 | R | 79 | Confident | 81.4 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | trans | -76.2 | 102.7 | -178 | -177.9 | -179.9 | 171.1 | -150.8 | -0.7 | 112.3 | I515 E525 F991 D1050 | I515-R519 PolarHBondContact O-N 3.34Å; R519-E525 IonicContact CZ-OE2 3.54Å; R519-E525 IonicContact NH2-OE2 3.48Å; R519-E525 PolarHBondContact NH2-OE2 3.05Å; R519-F991 HydrophobicContact CB-CB 4.1Å; R519-F991 HydrophobicContact CB-CD1 4.22Å; R519-F991 HydrophobicContact CB-CD2 4.25Å; R519-F991 HydrophobicContact CB-CG 3.95Å; R519-F991 HydrophobicContact CG-CD2 3.85Å; R519-F991 HydrophobicContact CG-CE2 4.11Å; R519-F991 HydrophobicContact CG-CG 4.09Å; R519-D1050 IonicContact CZ-OD2 2.66Å; R519-D1050 IonicContact NH1-OD2 2.68Å; R519-D1050 PolarHBondContact NH1-OD2 3.1Å; R519-D1050 IonicContact NH2-OD2 2.74Å | ||
| 520 | K | 74.1 | Confident | 81.9 | Confident | 171 Ų | 171 | 52.5 Ų | 52.5 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 142.4 | 154.7 | -62.4 | -177.8 | -179.1 | -180 | 0 | 109.1 | A518 | A518-K520 PolarHBondContact O-N 3.03Š|
| 521 | V | 78.1 | Confident | 82.3 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 59% | 0.588 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -101.6 | 126.6 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | E525 | V521-E525 WeakPolarHBondContact CA-OE1 3.48Å; V521-E525 HydrophobicContact CG1-CB 4.1Å |
| 522 | Y | 81.6 | Confident | 82.7 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 148.2 | -176.1 | -57.8 | -67 | 0 | 0 | 0 | 112.3 | F524 E525 L975 L979 F991 | Y522-F524 HydrophobicContact CD2-CE2 4.32Å; Y522-F524 AromaticContact CD2-CZ 3.92Å; Y522-F524 HydrophobicContact CD2-CZ 3.92Å; Y522-F524 HydrophobicContact CG-CE1 4.14Å; Y522-F524 HydrophobicContact CG-CE2 4.37Å; Y522-F524 AromaticContact CG-CZ 3.78Å; Y522-F524 HydrophobicContact CG-CZ 3.78Å; Y522-F524 PolarHBondContact O-N 3.21Å; Y522-F524 VanDerWaalsContact O-N 3.15Å; Y522-E525 PolarHBondContact N-OE1 3.5Å; Y522-E525 WeakPolarHBondContact O-CB 3.31Å; Y522-E525 PolarHBondContact O-N 2.86Å; Y522-L975 HydrophobicContact CD1-CD1 3.92Å; Y522-L975 HydrophobicContact CD1-CD2 3.94Å; Y522-L975 HydrophobicContact CE1-CD1 3.26Å; Y522-L975 HydrophobicContact CE1-CD2 4.1Å; Y522-L975 HydrophobicContact CE1-CG 4.33Å; Y522-L975 HydrophobicContact CE2-CD1 4.27Å; Y522-L975 VanDerWaalsContact CZ-CD1 3.44Å; Y522-L979 HydrophobicContact CE2-CD1 4.43Å; Y522-L979 HydrophobicContact CE2-CD2 4.36Å; Y522-F991 HydrophobicContact CE2-CE2 4.09Å; Y522-F991 HydrophobicContact CE2-CZ 4.04Å |
| 523 | W | 80.9 | Confident | 83 | Confident | 114 Ų | 114 | 45.1 Ų | 45.1 | 43% | 0.432 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -57.9 | -34 | -175.8 | 69.4 | -98.4 | 0 | 0 | 0 | 112.9 | E525 K526 F527 L537 I539 Y554 | W523-E525 VanDerWaalsContact C-N 3.32Å; W523-E525 PolarHBondContact O-N 2.98Å; W523-K526 VanDerWaalsContact O-CB 3.23Å; W523-K526 WeakPolarHBondContact O-CB 3.42Å; W523-K526 PolarHBondContact O-N 3.17Å; W523-F527 HydrophobicContact CE3-CD2 4.46Å; W523-F527 HydrophobicContact CE3-CE2 4.23Å; W523-F527 HydrophobicContact CZ3-CD2 4.25Å; W523-F527 HydrophobicContact CZ3-CE2 4.15Å; W523-L537 HydrophobicContact CZ2-CD2 4.18Å; W523-I539 HydrophobicContact CH2-CD1 4.27Å; W523-I539 HydrophobicContact CZ3-CD1 4.36Å; W523-Y554 HydrophobicContact CD2-CE1 4.26Å; W523-Y554 HydrophobicContact CE3-CD1 4.3Å; W523-Y554 AromaticContact CE3-CE1 3.54Å; W523-Y554 HydrophobicContact CE3-CE1 3.54Å; W523-Y554 AromaticContact CE3-CZ 3.71Å; W523-Y554 AromaticContact CH2-CD1 3.66Å; W523-Y554 HydrophobicContact CH2-CD1 3.66Å; W523-Y554 AromaticContact CH2-CE1 3.71Å; W523-Y554 HydrophobicContact CH2-CE1 3.71Å; W523-Y554 HydrophobicContact CH2-CG 4.46Å; W523-Y554 HydrophobicContact CZ2-CE1 4.38Å; W523-Y554 AromaticContact CZ3-CD1 3.53Å; W523-Y554 HydrophobicContact CZ3-CD1 3.53Å; W523-Y554 AromaticContact CZ3-CE1 3.23Å; W523-Y554 HydrophobicContact CZ3-CE1 3.23Å; W523-Y554 HydrophobicContact CZ3-CE2 4.28Å; W523-Y554 HydrophobicContact CZ3-CG 4.18Å; W523-Y554 AromaticContact CZ3-CZ 3.63Å |
| 524 | F | 84.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -72.5 | -21 | 179.2 | 54.4 | -107.9 | 0 | 0 | 0 | 113.2 | Y522 K526 F527 W529 L537 I539 L975 | Y522-F524 HydrophobicContact CD2-CE2 4.32Å; Y522-F524 AromaticContact CD2-CZ 3.92Å; Y522-F524 HydrophobicContact CD2-CZ 3.92Å; Y522-F524 HydrophobicContact CG-CE1 4.14Å; Y522-F524 HydrophobicContact CG-CE2 4.37Å; Y522-F524 AromaticContact CG-CZ 3.78Å; Y522-F524 HydrophobicContact CG-CZ 3.78Å; Y522-F524 PolarHBondContact O-N 3.21Å; Y522-F524 VanDerWaalsContact O-N 3.15Å; F524-K526 PolarHBondContact O-N 2.8Å; F524-K526 VanDerWaalsContact O-N 3.07Å; F524-F527 PolarHBondContact O-N 2.9Å; F524-W529 HydrophobicContact CD2-CB 4.35Å; F524-W529 AromaticContact CD2-CD2 3.49Å; F524-W529 HydrophobicContact CD2-CD2 3.49Å; F524-W529 VanDerWaalsContact CD2-CD2 3.49Å; F524-W529 AromaticContact CD2-CE2 3.84Å; F524-W529 AromaticContact CD2-CE3 3.73Å; F524-W529 HydrophobicContact CD2-CE3 3.73Å; F524-W529 AromaticContact CD2-CG 3.75Å; F524-W529 HydrophobicContact CD2-CG 3.75Å; F524-W529 HydrophobicContact CD2-CZ2 4.38Å; F524-W529 HydrophobicContact CD2-CZ3 4.25Å; F524-W529 AromaticContact CE2-CD2 3.74Å; F524-W529 HydrophobicContact CE2-CD2 3.74Å; F524-W529 AromaticContact CE2-CE2 3.88Å; F524-W529 AromaticContact CE2-CE3 3.61Å; F524-W529 HydrophobicContact CE2-CE3 3.61Å; F524-W529 HydrophobicContact CE2-CG 4.47Å; F524-W529 AromaticContact CE2-CH2 3.83Å; F524-W529 HydrophobicContact CE2-CH2 3.83Å; F524-W529 AromaticContact CE2-CZ2 3.95Å; F524-W529 HydrophobicContact CE2-CZ2 3.95Å; F524-W529 AromaticContact CE2-CZ3 3.66Å; F524-W529 HydrophobicContact CE2-CZ3 3.66Å; F524-W529 HydrophobicContact CZ-CZ3 4.49Å; F524-L537 HydrophobicContact CB-CD2 4.35Å; F524-L537 HydrophobicContact CD1-CD1 4.34Å; F524-L537 HydrophobicContact CD1-CD2 3.75Å; F524-L537 HydrophobicContact CD2-CD1 4.36Å; F524-L537 HydrophobicContact CE1-CD2 4.32Å; F524-L537 HydrophobicContact CG-CD1 4.18Å; F524-L537 HydrophobicContact CG-CD2 4.18Å; F524-I539 HydrophobicContact CB-CG2 4.15Å; F524-L975 HydrophobicContact CE1-CD2 3.97Å |
| 525 | E | 84.4 | Confident | 83.6 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.9 | -15 | 171.9 | -64.5 | -176.8 | -109.4 | 0 | 0 | 112.7 | R519 V521 Y522 W523 F527 W529 V993 R1053 | R519-E525 IonicContact CZ-OE2 3.54Å; R519-E525 IonicContact NH2-OE2 3.48Å; R519-E525 PolarHBondContact NH2-OE2 3.05Å; V521-E525 WeakPolarHBondContact CA-OE1 3.48Å; V521-E525 HydrophobicContact CG1-CB 4.1Å; Y522-E525 PolarHBondContact N-OE1 3.5Å; Y522-E525 WeakPolarHBondContact O-CB 3.31Å; Y522-E525 PolarHBondContact O-N 2.86Å; W523-E525 VanDerWaalsContact C-N 3.32Å; W523-E525 PolarHBondContact O-N 2.98Å; E525-F527 VanDerWaalsContact C-N 3.25Å; E525-F527 PolarHBondContact O-N 3.15Å; E525-W529 HydrophobicContact CG-CZ2 4.13Å; E525-V993 HydrophobicContact CG-CG1 4.44Å; E525-R1053 PolarHBondContact O-NH1 3.23Å; E525-R1053 PolarHBondContact O-NH2 3.43Å |
| 526 | K | 84.1 | Confident | 84 | Confident | 130 Ų | 130 | 43.2 Ų | 43.2 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -62.4 | -32.6 | 169 | -170.8 | 170.4 | -179.7 | 173 | 0 | 112.1 | W523 F524 R542 R1053 | W523-K526 VanDerWaalsContact O-CB 3.23Å; W523-K526 WeakPolarHBondContact O-CB 3.42Å; W523-K526 PolarHBondContact O-N 3.17Å; F524-K526 PolarHBondContact O-N 2.8Å; F524-K526 VanDerWaalsContact O-N 3.07Å; K526-R542 PolarHBondContact O-NH1 3.07Å; K526-R1053 PolarHBondContact O-NH2 2.89Å |
| 527 | F | 89.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -99.9 | 178.2 | -177.8 | -58 | -67.1 | 0 | 0 | 0 | 111.7 | W523 F524 E525 R542 Q546 I549 I550 Y554 | W523-F527 HydrophobicContact CE3-CD2 4.46Å; W523-F527 HydrophobicContact CE3-CE2 4.23Å; W523-F527 HydrophobicContact CZ3-CD2 4.25Å; W523-F527 HydrophobicContact CZ3-CE2 4.15Å; F524-F527 PolarHBondContact O-N 2.9Å; E525-F527 VanDerWaalsContact C-N 3.25Å; E525-F527 PolarHBondContact O-N 3.15Å; F527-R542 VanDerWaalsContact C-CZ 3.49Å; F527-R542 VanDerWaalsContact C-NH1 3.3Å; F527-R542 VanDerWaalsContact C-NH2 3.31Å; F527-R542 PolarHBondContact O-NH1 2.67Å; F527-R542 PolarHBondContact O-NH2 2.92Å; F527-Q546 HydrophobicContact CD1-CB 4.18Å; F527-Q546 HydrophobicContact CD1-CG 4.25Å; F527-Q546 HydrophobicContact CE1-CB 4.2Å; F527-Q546 HydrophobicContact CE1-CG 4.2Å; F527-I549 HydrophobicContact CE1-CG2 4.26Å; F527-I549 HydrophobicContact CZ-CG2 3.89Å; F527-I550 HydrophobicContact CB-CD1 4.44Å; F527-I550 HydrophobicContact CD1-CD1 3.72Å; F527-I550 HydrophobicContact CD1-CG1 3.95Å; F527-I550 HydrophobicContact CE1-CD1 4.18Å; F527-I550 HydrophobicContact CE1-CG1 3.92Å; F527-I550 HydrophobicContact CG-CD1 4.09Å; F527-I550 HydrophobicContact CG-CG1 4.36Å; F527-I550 HydrophobicContact CZ-CG1 4.32Å; F527-Y554 HydrophobicContact CE2-CD2 4.27Å; F527-Y554 AromaticContact CE2-CE2 3.64Å; F527-Y554 HydrophobicContact CE2-CE2 3.64Å; F527-Y554 HydrophobicContact CZ-CD2 4.34Å; F527-Y554 AromaticContact CZ-CE2 3.72Å; F527-Y554 HydrophobicContact CZ-CE2 3.72Å |
| 528 | L | 91.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141.3 | 154.6 | -60.9 | 168.5 | 0 | 0 | 0 | 106.8 | I539 A540 R542 T570 Y597 N1054 | L528-I539 CarbonylContact O-C 3.6Å; L528-I539 WeakPolarHBondContact O-CA 3.29Å; L528-A540 HydrophobicContact CB-CB 4.15Å; L528-A540 WeakPolarHBondContact CB-O 3.24Å; L528-A540 PolarHBondContact N-O 2.81Å; L528-A540 PolarHBondContact O-N 3.17Å; L528-R542 HydrophobicContact CD1-CG 3.95Å; L528-R542 HydrophobicContact CD2-CG 3.82Å; L528-R542 HydrophobicContact CG-CG 3.54Å; L528-T570 HydrophobicContact CD1-CG2 4.29Å; L528-Y597 HydrophobicContact CD1-CD1 3.83Å; L528-Y597 HydrophobicContact CD1-CD2 3.73Å; L528-Y597 HydrophobicContact CD1-CE1 3.93Å; L528-Y597 HydrophobicContact CD1-CE2 3.84Å; L528-Y597 HydrophobicContact CD1-CG 3.73Å; L528-Y597 HydrophobicContact CD2-CE1 3.96Å; L528-Y597 HydrophobicContact CD2-CE2 4.45Å; L528-N1054 HydrophobicContact CD2-CB 4.39Å |
| 529 | W | 92.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 157.4 | -178.2 | 67.6 | -83 | 0 | 0 | 0 | 110.9 | F524 E525 I531 L537 T538 I539 L653 V993 V995 | F524-W529 HydrophobicContact CD2-CB 4.35Å; F524-W529 AromaticContact CD2-CD2 3.49Å; F524-W529 HydrophobicContact CD2-CD2 3.49Å; F524-W529 VanDerWaalsContact CD2-CD2 3.49Å; F524-W529 AromaticContact CD2-CE2 3.84Å; F524-W529 AromaticContact CD2-CE3 3.73Å; F524-W529 HydrophobicContact CD2-CE3 3.73Å; F524-W529 AromaticContact CD2-CG 3.75Å; F524-W529 HydrophobicContact CD2-CG 3.75Å; F524-W529 HydrophobicContact CD2-CZ2 4.38Å; F524-W529 HydrophobicContact CD2-CZ3 4.25Å; F524-W529 AromaticContact CE2-CD2 3.74Å; F524-W529 HydrophobicContact CE2-CD2 3.74Å; F524-W529 AromaticContact CE2-CE2 3.88Å; F524-W529 AromaticContact CE2-CE3 3.61Å; F524-W529 HydrophobicContact CE2-CE3 3.61Å; F524-W529 HydrophobicContact CE2-CG 4.47Å; F524-W529 AromaticContact CE2-CH2 3.83Å; F524-W529 HydrophobicContact CE2-CH2 3.83Å; F524-W529 AromaticContact CE2-CZ2 3.95Å; F524-W529 HydrophobicContact CE2-CZ2 3.95Å; F524-W529 AromaticContact CE2-CZ3 3.66Å; F524-W529 HydrophobicContact CE2-CZ3 3.66Å; F524-W529 HydrophobicContact CZ-CZ3 4.49Å; E525-W529 HydrophobicContact CG-CZ2 4.13Å; W529-I531 HydrophobicContact CZ3-CG1 4.2Å; W529-L537 HydrophobicContact CE3-CD1 4.22Å; W529-T538 WeakPolarHBondContact CA-O 3.32Å; W529-I539 HydrophobicContact CB-CG2 4.27Å; W529-L653 HydrophobicContact CH2-CD1 3.99Å; W529-L653 HydrophobicContact CZ3-CD1 3.99Å; W529-V993 HydrophobicContact CH2-CG1 4.16Å; W529-V993 HydrophobicContact CZ2-CG1 3.69Å; W529-V995 HydrophobicContact CH2-CG2 3.68Å; W529-V995 HydrophobicContact CZ2-CG2 4.08Å; W529-V995 HydrophobicContact CZ3-CG2 4.28Å |
| 530 | F | 92.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 163 | 162.5 | 70 | -69.9 | 0 | 0 | 0 | 109.9 | T538 E589 M593 V995 A997 P998 A1001 | F530-T538 HydrophobicContact CD1-CG2 4.19Å; F530-T538 VanDerWaalsContact CE1-CB 3.43Å; F530-T538 HydrophobicContact CE1-CG2 3.53Å; F530-T538 HydrophobicContact CZ-CG2 4.21Å; F530-T538 PolarHBondContact N-O 2.93Å; F530-T538 PolarHBondContact O-N 3.36Å; F530-E589 HydrophobicContact CE2-CB 3.9Å; F530-E589 HydrophobicContact CZ-CB 3.9Å; F530-M593 HydrophobicContact CB-CE 4.31Å; F530-M593 HydrophobicContact CD1-CE 3.2Å; F530-M593 HydrophobicContact CD1-SD 3.66Å; F530-M593 HydrophobicContact CE1-CB 4.16Å; F530-M593 HydrophobicContact CE1-CE 3.69Å; F530-M593 HydrophobicContact CE1-SD 3.76Å; F530-M593 HydrophobicContact CG-CE 4Å; F530-V995 HydrophobicContact CB-CG1 4.39Å; F530-A997 HydrophobicContact CB-CB 3.51Å; F530-A997 HydrophobicContact CD2-CB 3.84Å; F530-A997 HydrophobicContact CG-CB 3.83Å; F530-P998 HydrophobicContact CE2-CG 4.11Å; F530-P998 HydrophobicContact CZ-CG 4Å; F530-A1001 HydrophobicContact CD2-CB 4Å; F530-A1001 HydrophobicContact CE2-CB 4.06Å |
| 531 | I | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.9 | 162.9 | -51.2 | 176.8 | 0 | 0 | 0 | 105.8 | W529 Y536 L653 L976 L979 | W529-I531 HydrophobicContact CZ3-CG1 4.2Å; I531-Y536 WeakPolarHBondContact CA-O 3.37Å; I531-L653 HydrophobicContact CD1-CD1 3.59Å; I531-L653 HydrophobicContact CG1-CD1 4.18Å; I531-L976 HydrophobicContact CD1-CD2 3.5Å; I531-L976 HydrophobicContact CG1-CD2 3.7Å; I531-L976 HydrophobicContact CG2-CD2 4.31Å; I531-L979 HydrophobicContact CD1-CD1 4.32Å |
| 532 | S | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -67.2 | 170.4 | 176.1 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | E534 N535 Y536 T586 E589 | S532-E534 PolarHBondContact O-N 2.97Å; S532-E534 PolarHBondContact OG-N 3.49Å; S532-N535 PolarHBondContact O-N 3.45Å; S532-Y536 PolarHBondContact N-O 2.92Å; S532-Y536 PolarHBondContact OG-N 3.28Å; S532-Y536 VanDerWaalsContact OG-N 3.16Å; S532-T586 VanDerWaalsContact CB-OG1 3.25Å; S532-T586 WeakPolarHBondContact CB-OG1 3.47Å; S532-T586 PolarHBondContact OG-OG1 3.04Å; S532-E589 WeakPolarHBondContact CA-OE2 3.32Å; S532-E589 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 533 | S | 87.7 | Confident | 88.7 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -18.4 | 170.5 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | R585 E589 R668 | S533-R585 WeakPolarHBondContact OG-CD 3.45Å; S533-R585 PolarHBondContact OG-NE 3.05Å; S533-E589 PolarHBondContact N-OE2 3.47Å; S533-E589 VanDerWaalsContact N-OE2 3.12Å; S533-E589 PolarHBondContact OG-OE1 3.46Å; S533-R668 WeakPolarHBondContact O-CA 3.34Å; S533-R668 WeakPolarHBondContact O-CB 3.4Å |
| 534 | E | 85.9 | Confident | 88.9 | Confident | 15 Ų | 15 | 23.5 Ų | 23.5 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 24.4 | -173.9 | -56.5 | 165.9 | 125.9 | 0 | 0 | 112 | S532 Y536 P583 T586 R668 V670 | S532-E534 PolarHBondContact O-N 2.97Å; S532-E534 PolarHBondContact OG-N 3.49Å; E534-Y536 VanDerWaalsContact C-N 3.28Å; E534-Y536 HydrophobicContact CB-CD2 4Å; E534-Y536 HydrophobicContact CB-CE2 4.2Å; E534-Y536 VanDerWaalsContact O-CD2 3.24Å; E534-Y536 WeakPolarHBondContact O-CD2 3.43Å; E534-Y536 PolarHBondContact O-N 3.07Å; E534-P583 WeakPolarHBondContact OE1-CB 3.48Å; E534-P583 WeakPolarHBondContact OE1-CG 3.28Å; E534-T586 WeakPolarHBondContact OE2-CB 3.28Å; E534-T586 PolarHBondContact OE2-N 3.29Å; E534-T586 PolarHBondContact OE2-OG1 2.88Å; E534-R668 CarbonylContact C-O 3.59Å; E534-R668 VanDerWaalsContact CA-O 3.31Å; E534-R668 WeakPolarHBondContact CA-O 3.35Å; E534-V670 HydrophobicContact CB-CG2 4.18Å |
| 535 | N | 86.6 | Confident | 89 | Confident | 33 Ų | 33 | 30 Ų | 30 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 67.7 | 6.9 | 176.4 | -140.9 | 31.1 | 0 | 0 | 0 | 117.1 | S532 R668 N977 | S532-N535 PolarHBondContact O-N 3.45Å; N535-R668 HydrophobicContact CB-CB 3.8Å; N535-R668 WeakPolarHBondContact CB-O 3.42Å; N535-R668 PolarHBondContact N-O 3.28Å; N535-R668 PolarHBondContact OD1-NH1 3.06Å; N535-N977 PolarHBondContact ND2-OD1 2.87Å; N535-N977 VanDerWaalsContact ND2-OD1 3.15Å |
| 536 | Y | 88.6 | Confident | 89.2 | Confident | 26 Ų | 26 | 31 Ų | 31 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | trans | -77.7 | 130.7 | 176.7 | -68.4 | -90.5 | 0 | 0 | 0 | 111.6 | I531 S532 E534 T538 I574 I582 P583 T586 | I531-Y536 WeakPolarHBondContact CA-O 3.37Å; S532-Y536 PolarHBondContact N-O 2.92Å; S532-Y536 PolarHBondContact OG-N 3.28Å; S532-Y536 VanDerWaalsContact OG-N 3.16Å; E534-Y536 VanDerWaalsContact C-N 3.28Å; E534-Y536 HydrophobicContact CB-CD2 4Å; E534-Y536 HydrophobicContact CB-CE2 4.2Å; E534-Y536 VanDerWaalsContact O-CD2 3.24Å; E534-Y536 WeakPolarHBondContact O-CD2 3.43Å; E534-Y536 PolarHBondContact O-N 3.07Å; Y536-T538 PolarHBondContact O-N 3.12Å; Y536-I574 HydrophobicContact CD1-CG2 4.49Å; Y536-I574 HydrophobicContact CG-CG2 4.46Å; Y536-I582 HydrophobicContact CE1-CG1 4.46Å; Y536-P583 HydrophobicContact CE2-CG 4.44Å; Y536-T586 HydrophobicContact CD2-CG2 4.13Å; Y536-T586 HydrophobicContact CG-CG2 4.12Å | ||
| 537 | L | 90.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 25.5 Ų | 25.5 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.2 | 173.5 | 177.5 | 64 | 0 | 0 | 0 | 110.1 | W523 F524 W529 I539 K575 L976 | W523-L537 HydrophobicContact CZ2-CD2 4.18Å; F524-L537 HydrophobicContact CB-CD2 4.35Å; F524-L537 HydrophobicContact CD1-CD1 4.34Å; F524-L537 HydrophobicContact CD1-CD2 3.75Å; F524-L537 HydrophobicContact CD2-CD1 4.36Å; F524-L537 HydrophobicContact CE1-CD2 4.32Å; F524-L537 HydrophobicContact CG-CD1 4.18Å; F524-L537 HydrophobicContact CG-CD2 4.18Å; W529-L537 HydrophobicContact CE3-CD1 4.22Å; L537-I539 HydrophobicContact CD1-CG2 4.46Å; L537-I539 HydrophobicContact CG-CG2 4.24Å; L537-K575 HydrophobicContact CB-CB 4.35Å; L537-K575 VanDerWaalsContact O-CB 3.31Å; L537-K575 WeakPolarHBondContact O-CB 3.48Å; L537-K575 PolarHBondContact O-N 3.48Å; L537-L976 HydrophobicContact CB-CD2 4.39Å |
| 538 | T | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.3 | 172.4 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | W529 F530 Y536 I574 A590 | W529-T538 WeakPolarHBondContact CA-O 3.32Å; F530-T538 HydrophobicContact CD1-CG2 4.19Å; F530-T538 VanDerWaalsContact CE1-CB 3.43Å; F530-T538 HydrophobicContact CE1-CG2 3.53Å; F530-T538 HydrophobicContact CZ-CG2 4.21Å; F530-T538 PolarHBondContact N-O 2.93Å; F530-T538 PolarHBondContact O-N 3.36Å; Y536-T538 PolarHBondContact O-N 3.12Å; T538-I574 HydrophobicContact CG2-CG1 4.29Å; T538-A590 HydrophobicContact CG2-CB 3.95Å |
| 539 | I | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.2 | 178.9 | 60 | 175.4 | 0 | 0 | 0 | 111.4 | W523 F524 L528 W529 L537 I550 Y554 C572 V573 | W523-I539 HydrophobicContact CH2-CD1 4.27Å; W523-I539 HydrophobicContact CZ3-CD1 4.36Å; F524-I539 HydrophobicContact CB-CG2 4.15Å; L528-I539 CarbonylContact O-C 3.6Å; L528-I539 WeakPolarHBondContact O-CA 3.29Å; W529-I539 HydrophobicContact CB-CG2 4.27Å; L537-I539 HydrophobicContact CD1-CG2 4.46Å; L537-I539 HydrophobicContact CG-CG2 4.24Å; I539-I550 HydrophobicContact CD1-CG1 4.31Å; I539-I550 HydrophobicContact CD1-CG2 4.14Å; I539-I550 HydrophobicContact CG1-CG2 4.26Å; I539-Y554 HydrophobicContact CD1-CG 4.15Å; I539-C572 CarbonylContact O-C 3.56Å; I539-C572 WeakPolarHBondContact O-CA 3.15Å; I539-V573 HydrophobicContact CG1-CB 4.18Å; I539-V573 PolarHBondContact N-O 3.5Å; I539-V573 PolarHBondContact O-N 2.69Å |
| 540 | A | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L528 S571 C572 M593 | L528-A540 HydrophobicContact CB-CB 4.15Å; L528-A540 WeakPolarHBondContact CB-O 3.24Å; L528-A540 PolarHBondContact N-O 2.81Å; L528-A540 PolarHBondContact O-N 3.17Å; A540-S571 VanDerWaalsContact CA-O 3.3Å; A540-S571 WeakPolarHBondContact CA-O 3.22Å; A540-C572 HydrophobicContact CB-CB 4.36Å; A540-C572 VanDerWaalsContact CB-SG 3.56Å; A540-M593 HydrophobicContact CB-SD 4.33Å |
| 541 | G | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -82.6 | 145 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N547 T570 S571 | G541-N547 VanDerWaalsContact CA-OD1 3.29Å; G541-N547 WeakPolarHBondContact CA-OD1 3.31Å; G541-T570 WeakPolarHBondContact O-CG2 3.43Å; G541-S571 PolarHBondContact N-O 2.61Å | ||
| 542 | R | 87.8 | Confident | 88.1 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 27% | 0.268 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -87.4 | -12 | 170.8 | -64.5 | -173.2 | -160.7 | 74 | -3.4 | 114.1 | K526 F527 L528 Q546 R1053 N1054 | K526-R542 PolarHBondContact O-NH1 3.07Å; F527-R542 VanDerWaalsContact C-CZ 3.49Å; F527-R542 VanDerWaalsContact C-NH1 3.3Å; F527-R542 VanDerWaalsContact C-NH2 3.31Å; F527-R542 PolarHBondContact O-NH1 2.67Å; F527-R542 PolarHBondContact O-NH2 2.92Å; L528-R542 HydrophobicContact CD1-CG 3.95Å; L528-R542 HydrophobicContact CD2-CG 3.82Å; L528-R542 HydrophobicContact CG-CG 3.54Å; R542-Q546 VanDerWaalsContact N-OE1 3.14Å; R542-R1053 VanDerWaalsContact NH2-NE 3.19Å; R542-N1054 PolarHBondContact NH2-OD1 2.83Å |
| 543 | D | 87.5 | Confident | 87.5 | Confident | 67 Ų | 67 | 39 Ų | 39 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -154.1 | 167.9 | -176.2 | 63.8 | 61.2 | 0 | 0 | 0 | 110.2 | Q545 Q546 N547 | D543-Q545 PolarHBondContact O-N 2.82Å; D543-Q545 WeakPolarHBondContact OD1-CA 3.45Å; D543-Q545 WeakPolarHBondContact OD1-CB 3.5Å; D543-Q545 PolarHBondContact OD1-N 2.85Å; D543-Q546 PolarHBondContact O-N 2.68Å; D543-Q546 PolarHBondContact OD1-N 2.85Å; D543-Q546 PolarHBondContact OD2-NE2 2.55Å; D543-N547 PolarHBondContact O-N 2.74Å |
| 544 | Q | 85.6 | Confident | 87.3 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 46% | 0.458 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.6 | -29.1 | -178.4 | 60.1 | 175.6 | 8.7 | 0 | 0 | 114.4 | E548 T629 G630 | Q544-E548 PolarHBondContact O-N 3.23Å; Q544-E548 VanDerWaalsContact O-N 3.12Å; Q544-T629 WeakPolarHBondContact CB-O 3.34Å; Q544-T629 PolarHBondContact NE2-OG1 3.14Å; Q544-T629 PolarHBondContact OE1-O 2.76Å; Q544-T629 PolarHBondContact OE1-OG1 3.38Å; Q544-G630 WeakPolarHBondContact O-CA 3.44Å |
| 545 | Q | 85.9 | Confident | 87.4 | Confident | 140 Ų | 140 | 40.8 Ų | 40.8 | 65% | 0.654 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -78.1 | -39.4 | 179.1 | -59.3 | -177.4 | -9.9 | 0 | 0 | 110.4 | D543 E548 I549 | D543-Q545 PolarHBondContact O-N 2.82Å; D543-Q545 WeakPolarHBondContact OD1-CA 3.45Å; D543-Q545 WeakPolarHBondContact OD1-CB 3.5Å; D543-Q545 PolarHBondContact OD1-N 2.85Å; Q545-E548 PolarHBondContact O-N 2.93Å; Q545-I549 WeakPolarHBondContact O-CD1 3.36Å; Q545-I549 VanDerWaalsContact O-CG1 3.25Å; Q545-I549 WeakPolarHBondContact O-CG1 3.34Å; Q545-I549 PolarHBondContact O-N 3.06Å |
| 546 | Q | 88.1 | Confident | 87.3 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 171.1 | -69.8 | 176.6 | 46.3 | 0 | 0 | 111.6 | F527 R542 D543 I549 I550 | F527-Q546 HydrophobicContact CD1-CB 4.18Å; F527-Q546 HydrophobicContact CD1-CG 4.25Å; F527-Q546 HydrophobicContact CE1-CB 4.2Å; F527-Q546 HydrophobicContact CE1-CG 4.2Å; R542-Q546 VanDerWaalsContact N-OE1 3.14Å; D543-Q546 PolarHBondContact O-N 2.68Å; D543-Q546 PolarHBondContact OD1-N 2.85Å; D543-Q546 PolarHBondContact OD2-NE2 2.55Å; Q546-I549 PolarHBondContact O-N 2.71Å; Q546-I550 WeakPolarHBondContact O-CB 3.3Å; Q546-I550 VanDerWaalsContact O-CG1 3.31Å; Q546-I550 WeakPolarHBondContact O-CG1 3.37Å; Q546-I550 PolarHBondContact O-N 3.46Å |
| 547 | N | 88.9 | Confident | 87 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 173 | -72.4 | 1.3 | 0 | 0 | 0 | 111.2 | G541 D543 I549 I550 V551 S571 F632 | G541-N547 VanDerWaalsContact CA-OD1 3.29Å; G541-N547 WeakPolarHBondContact CA-OD1 3.31Å; D543-N547 PolarHBondContact O-N 2.74Å; N547-I549 PolarHBondContact O-N 2.76Å; N547-I550 PolarHBondContact O-N 3.14Å; N547-V551 PolarHBondContact O-N 3.1Å; N547-V551 VanDerWaalsContact O-N 3.07Å; N547-S571 PolarHBondContact ND2-OG 3.05Å; N547-F632 HydrophobicContact CB-CE2 4.3Å; N547-F632 HydrophobicContact CB-CZ 4.48Å |
| 548 | E | 85.9 | Confident | 86.7 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.6 | -75 | -152.1 | -154.9 | 0 | 0 | 113.3 | Q544 Q545 K552 K619 T629 G630 F632 | Q544-E548 PolarHBondContact O-N 3.23Å; Q544-E548 VanDerWaalsContact O-N 3.12Å; Q545-E548 PolarHBondContact O-N 2.93Å; E548-K552 VanDerWaalsContact O-CB 3.24Å; E548-K552 WeakPolarHBondContact O-CB 3.39Å; E548-K552 VanDerWaalsContact O-CG 3.22Å; E548-K552 WeakPolarHBondContact O-CG 3.36Å; E548-K552 PolarHBondContact O-N 2.96Å; E548-K552 WeakPolarHBondContact OE2-CE 3.39Å; E548-K552 IonicContact OE2-NZ 2.67Å; E548-K552 PolarHBondContact OE2-NZ 2.97Å; E548-K619 IonicContact OE1-NZ 3.98Å; E548-K619 PolarHBondContact OE1-NZ 3.08Å; E548-K619 IonicContact OE2-NZ 3.82Å; E548-K619 PolarHBondContact OE2-NZ 2.85Å; E548-T629 WeakPolarHBondContact OE1-CA 3.34Å; E548-G630 PolarHBondContact OE1-N 2.96Å; E548-G630 VanDerWaalsContact OE1-N 3.14Å; E548-F632 HydrophobicContact CG-CZ 4.35Å |
| 549 | I | 85.4 | Confident | 86.7 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.9 | -70.4 | 162.9 | 0 | 0 | 0 | 110.5 | F527 Q545 Q546 N547 R553 Y554 | F527-I549 HydrophobicContact CE1-CG2 4.26Å; F527-I549 HydrophobicContact CZ-CG2 3.89Å; Q545-I549 WeakPolarHBondContact O-CD1 3.36Å; Q545-I549 VanDerWaalsContact O-CG1 3.25Å; Q545-I549 WeakPolarHBondContact O-CG1 3.34Å; Q545-I549 PolarHBondContact O-N 3.06Å; Q546-I549 PolarHBondContact O-N 2.71Å; N547-I549 PolarHBondContact O-N 2.76Å; I549-R553 WeakPolarHBondContact O-CB 3.1Å; I549-R553 PolarHBondContact O-N 3.24Å; I549-Y554 HydrophobicContact CG2-CD2 4.36Å; I549-Y554 HydrophobicContact CG2-CE2 3.99Å |
| 550 | I | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -53.2 | 179.2 | -72.7 | 166.7 | 0 | 0 | 0 | 110.8 | F527 I539 Q546 N547 K552 R553 Y554 L555 V573 | F527-I550 HydrophobicContact CB-CD1 4.44Å; F527-I550 HydrophobicContact CD1-CD1 3.72Å; F527-I550 HydrophobicContact CD1-CG1 3.95Å; F527-I550 HydrophobicContact CE1-CD1 4.18Å; F527-I550 HydrophobicContact CE1-CG1 3.92Å; F527-I550 HydrophobicContact CG-CD1 4.09Å; F527-I550 HydrophobicContact CG-CG1 4.36Å; F527-I550 HydrophobicContact CZ-CG1 4.32Å; I539-I550 HydrophobicContact CD1-CG1 4.31Å; I539-I550 HydrophobicContact CD1-CG2 4.14Å; I539-I550 HydrophobicContact CG1-CG2 4.26Å; Q546-I550 WeakPolarHBondContact O-CB 3.3Å; Q546-I550 VanDerWaalsContact O-CG1 3.31Å; Q546-I550 WeakPolarHBondContact O-CG1 3.37Å; Q546-I550 PolarHBondContact O-N 3.46Å; N547-I550 PolarHBondContact O-N 3.14Å; I550-K552 PolarHBondContact O-N 3.03Å; I550-R553 PolarHBondContact O-N 3.12Å; I550-Y554 PolarHBondContact O-N 2.75Å; I550-L555 PolarHBondContact O-N 2.86Å; I550-L555 VanDerWaalsContact O-N 3.11Å; I550-V573 HydrophobicContact CG2-CB 3.9Å; I550-V573 HydrophobicContact CG2-CG2 3.47Å; I550-V573 VanDerWaalsContact CG2-CG2 3.47Å |
| 551 | V | 86.9 | Confident | 86.7 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.2 | -32.7 | -174.9 | 176.7 | 0 | 0 | 0 | 0 | 113.2 | N547 L555 Y561 V617 F632 | N547-V551 PolarHBondContact O-N 3.1Å; N547-V551 VanDerWaalsContact O-N 3.07Å; V551-L555 HydrophobicContact CG1-CD2 4.04Å; V551-Y561 HydrophobicContact CG2-CD2 3.91Å; V551-Y561 HydrophobicContact CG2-CE2 3.49Å; V551-Y561 VanDerWaalsContact CG2-CE2 3.49Å; V551-V617 HydrophobicContact CG1-CG1 3.69Å; V551-F632 HydrophobicContact CB-CD1 4.24Å; V551-F632 HydrophobicContact CB-CE1 3.61Å; V551-F632 HydrophobicContact CB-CE2 4.22Å; V551-F632 HydrophobicContact CB-CZ 3.61Å; V551-F632 HydrophobicContact CG1-CD1 3.76Å; V551-F632 HydrophobicContact CG1-CE1 3.61Å; V551-F632 HydrophobicContact CG1-CG 4.32Å; V551-F632 HydrophobicContact CG1-CZ 4.08Å; V551-F632 HydrophobicContact CG2-CD1 4.48Å; V551-F632 HydrophobicContact CG2-CD2 4.16Å; V551-F632 HydrophobicContact CG2-CE1 3.99Å; V551-F632 HydrophobicContact CG2-CE2 3.64Å; V551-F632 HydrophobicContact CG2-CZ 3.54Å |
| 552 | K | 83 | Confident | 86.9 | Confident | 136 Ų | 136 | 48.9 Ų | 48.9 | 59% | 0.591 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -79.3 | -14.8 | -179.9 | -72.3 | 176.5 | 179.6 | 172 | 0 | 115.1 | E548 I550 | E548-K552 VanDerWaalsContact O-CB 3.24Å; E548-K552 WeakPolarHBondContact O-CB 3.39Å; E548-K552 VanDerWaalsContact O-CG 3.22Å; E548-K552 WeakPolarHBondContact O-CG 3.36Å; E548-K552 PolarHBondContact O-N 2.96Å; E548-K552 WeakPolarHBondContact OE2-CE 3.39Å; E548-K552 IonicContact OE2-NZ 2.67Å; E548-K552 PolarHBondContact OE2-NZ 2.97Å; I550-K552 PolarHBondContact O-N 3.03Å |
| 553 | R | 77.6 | Confident | 87.2 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 25% | 0.249 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -139.2 | -39.2 | -158.8 | -172 | -161 | 157.9 | 93.3 | 89.2 | 114.4 | M69 I549 I550 | M69-R553 VanDerWaalsContact CB-CZ 3.44Å; M69-R553 VanDerWaalsContact CB-NH1 3.35Å; M69-R553 VanDerWaalsContact CB-NH2 3.31Å; M69-R553 PolarHBondContact O-NH2 3.45Å; I549-R553 WeakPolarHBondContact O-CB 3.1Å; I549-R553 PolarHBondContact O-N 3.24Å; I550-R553 PolarHBondContact O-N 3.12Å |
| 554 | Y | 84.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 44 Ų | 44 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -22.5 | -174.1 | -67.4 | -74.5 | 0 | 0 | 0 | 112.5 | W523 F527 I539 I549 I550 K575 | W523-Y554 HydrophobicContact CD2-CE1 4.26Å; W523-Y554 HydrophobicContact CE3-CD1 4.3Å; W523-Y554 AromaticContact CE3-CE1 3.54Å; W523-Y554 HydrophobicContact CE3-CE1 3.54Å; W523-Y554 AromaticContact CE3-CZ 3.71Å; W523-Y554 AromaticContact CH2-CD1 3.66Å; W523-Y554 HydrophobicContact CH2-CD1 3.66Å; W523-Y554 AromaticContact CH2-CE1 3.71Å; W523-Y554 HydrophobicContact CH2-CE1 3.71Å; W523-Y554 HydrophobicContact CH2-CG 4.46Å; W523-Y554 HydrophobicContact CZ2-CE1 4.38Å; W523-Y554 AromaticContact CZ3-CD1 3.53Å; W523-Y554 HydrophobicContact CZ3-CD1 3.53Å; W523-Y554 AromaticContact CZ3-CE1 3.23Å; W523-Y554 HydrophobicContact CZ3-CE1 3.23Å; W523-Y554 HydrophobicContact CZ3-CE2 4.28Å; W523-Y554 HydrophobicContact CZ3-CG 4.18Å; W523-Y554 AromaticContact CZ3-CZ 3.63Å; F527-Y554 HydrophobicContact CE2-CD2 4.27Å; F527-Y554 AromaticContact CE2-CE2 3.64Å; F527-Y554 HydrophobicContact CE2-CE2 3.64Å; F527-Y554 HydrophobicContact CZ-CD2 4.34Å; F527-Y554 AromaticContact CZ-CE2 3.72Å; F527-Y554 HydrophobicContact CZ-CE2 3.72Å; I539-Y554 HydrophobicContact CD1-CG 4.15Å; I549-Y554 HydrophobicContact CG2-CD2 4.36Å; I549-Y554 HydrophobicContact CG2-CE2 3.99Å; I550-Y554 PolarHBondContact O-N 2.75Å; Y554-K575 WeakPolarHBondContact O-CD 3.19Å; Y554-K575 WeakPolarHBondContact O-CE 3.47Å; Y554-K575 PolarHBondContact O-NZ 2.77Å |
| 555 | L | 86.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | trans | -74.3 | 114.5 | 162.7 | -173.3 | 73.9 | 0 | 0 | 0 | 109.3 | I550 V551 D559 V573 V617 | I550-L555 PolarHBondContact O-N 2.86Å; I550-L555 VanDerWaalsContact O-N 3.11Å; V551-L555 HydrophobicContact CG1-CD2 4.04Å; L555-D559 WeakPolarHBondContact CA-OD2 3.19Å; L555-D559 HydrophobicContact CD1-CB 3.75Å; L555-V573 HydrophobicContact CB-CG1 4.34Å; L555-V573 HydrophobicContact CB-CG2 4.3Å; L555-V573 HydrophobicContact CD1-CG1 3.75Å; L555-V573 HydrophobicContact CD1-CG2 3.98Å; L555-V617 HydrophobicContact CD2-CB 4.21Å; L555-V617 HydrophobicContact CD2-CG2 4.26Å | ||
| 556 | R | 85.7 | Confident | 87.6 | Confident | 129 Ų | 129 | 39.3 Ų | 39.3 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | trans | -118.7 | 177 | 176.8 | -66.6 | -173 | 171 | -148.4 | -8.8 | 109.7 | D559 Y614 | R556-D559 PolarHBondContact N-OD2 2.97Å; R556-D559 PolarHBondContact O-N 2.89Å; R556-Y614 VanDerWaalsContact O-CB 3.27Å; R556-Y614 WeakPolarHBondContact O-CB 3.25Å | ||
| 557 | A | 81.8 | Confident | 87.5 | Confident | 68 Ų | 68 | 45.8 Ų | 45.8 | 56% | 0.562 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 142.5 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | D559 Y614 | A557-D559 VanDerWaalsContact C-N 3.31Å; A557-D559 PolarHBondContact O-N 3.15Å; A557-Y614 HydrophobicContact CB-CD1 4.43Å; A557-Y614 HydrophobicContact CB-CD2 4.46Å; A557-Y614 HydrophobicContact CB-CE1 3.99Å; A557-Y614 HydrophobicContact CB-CE2 4.02Å |
| 558 | G | 84.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -25.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N576 | G558-N576 WeakPolarHBondContact O-CB 3.29Å; G558-N576 PolarHBondContact O-ND2 2.93Å; G558-N576 VanDerWaalsContact O-ND2 3.11Å |
| 559 | D | 91 | Very high | 87.3 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | trans | -73.8 | 157.6 | 176.5 | -64.5 | -38.9 | 0 | 0 | 0 | 112.8 | L555 R556 A557 V573 K575 N576 Y614 | L555-D559 WeakPolarHBondContact CA-OD2 3.19Å; L555-D559 HydrophobicContact CD1-CB 3.75Å; R556-D559 PolarHBondContact N-OD2 2.97Å; R556-D559 PolarHBondContact O-N 2.89Å; A557-D559 VanDerWaalsContact C-N 3.31Å; A557-D559 PolarHBondContact O-N 3.15Å; D559-V573 HydrophobicContact CB-CG1 4.22Å; D559-K575 WeakPolarHBondContact OD1-CA 3.32Å; D559-K575 IonicContact OD1-NZ 3.73Å; D559-K575 PolarHBondContact OD1-NZ 2.88Å; D559-K575 IonicContact OD2-NZ 3.19Å; D559-K575 PolarHBondContact OD2-NZ 3.34Å; D559-N576 PolarHBondContact OD1-N 3.09Å; D559-Y614 PolarHBondContact O-N 2.89Å | ||
| 560 | I | 92.6 | Very high | 87.5 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.1 | 174.7 | -63.9 | -176 | 0 | 0 | 0 | 110.7 | V562 V573 I574 I582 L587 W611 | I560-V562 HydrophobicContact CG2-CG2 4.08Å; I560-V573 WeakPolarHBondContact O-CA 3.47Å; I560-I574 PolarHBondContact N-O 2.81Å; I560-I574 PolarHBondContact O-N 3.12Å; I560-I582 HydrophobicContact CB-CD1 4.02Å; I560-I582 HydrophobicContact CD1-CB 4.11Å; I560-I582 HydrophobicContact CD1-CD1 3.76Å; I560-I582 HydrophobicContact CD1-CG1 3.87Å; I560-I582 HydrophobicContact CG1-CD1 3.82Å; I560-I582 HydrophobicContact CG1-CG1 4.39Å; I560-L587 HydrophobicContact CD1-CD2 4.13Å; I560-L587 HydrophobicContact CG2-CD2 3.91Å; I560-W611 HydrophobicContact CD1-CE3 4.18Å; I560-W611 HydrophobicContact CD1-CZ3 4.13Å; I560-W611 HydrophobicContact CG2-CB 3.87Å; I560-W611 HydrophobicContact CG2-CD2 4.2Å; I560-W611 HydrophobicContact CG2-CE3 3.73Å; I560-W611 HydrophobicContact CG2-CG 4.31Å |
| 561 | Y | 94.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.8 | 173.8 | 178.2 | -90.1 | 0 | 0 | 0 | 110.3 | V551 H563 S571 V573 W610 W611 V612 V617 F632 I634 | V551-Y561 HydrophobicContact CG2-CD2 3.91Å; V551-Y561 HydrophobicContact CG2-CE2 3.49Å; V551-Y561 VanDerWaalsContact CG2-CE2 3.49Å; Y561-H563 HydrophobicContact CE1-CB 3.64Å; Y561-H563 PolarHBondContact OH-CD2 3.31Å; Y561-S571 PolarHBondContact OH-OG 3.2Å; Y561-V573 HydrophobicContact CD2-CG2 3.97Å; Y561-W610 HydrophobicContact CD1-CH2 4.44Å; Y561-W610 HydrophobicContact CD1-CZ3 4.03Å; Y561-W610 AromaticContact CE1-CH2 3.88Å; Y561-W610 HydrophobicContact CE1-CH2 3.88Å; Y561-W610 AromaticContact CE1-CZ3 3.93Å; Y561-W610 HydrophobicContact CE1-CZ3 3.93Å; Y561-W611 CarbonylContact O-C 3.54Å; Y561-W611 VanDerWaalsContact O-CA 3.23Å; Y561-W611 WeakPolarHBondContact O-CA 3.35Å; Y561-V612 HydrophobicContact CD1-CG2 3.95Å; Y561-V612 PolarHBondContact N-O 3.42Å; Y561-V612 PolarHBondContact O-N 2.99Å; Y561-V617 HydrophobicContact CD1-CG2 3.98Å; Y561-V617 HydrophobicContact CD2-CG2 4.36Å; Y561-V617 HydrophobicContact CG-CG2 3.76Å; Y561-F632 HydrophobicContact CE2-CD2 4.47Å; Y561-I634 HydrophobicContact CD1-CD1 4.47Å; Y561-I634 HydrophobicContact CE1-CD1 4.26Å |
| 562 | V | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.7 | -176 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | I560 C572 I574 A590 W610 W611 M641 | I560-V562 HydrophobicContact CG2-CG2 4.08Å; V562-C572 HydrophobicContact CB-CB 4.02Å; V562-C572 PolarHBondContact N-O 3.43Å; V562-C572 WeakPolarHBondContact O-CB 3.3Å; V562-C572 PolarHBondContact O-N 3.31Å; V562-I574 HydrophobicContact CG2-CD1 3.82Å; V562-I574 HydrophobicContact CG2-CG1 4.21Å; V562-A590 HydrophobicContact CB-CB 4.43Å; V562-A590 HydrophobicContact CG1-CB 4.41Å; V562-A590 HydrophobicContact CG2-CB 4.15Å; V562-W610 WeakPolarHBondContact CA-O 3.32Å; V562-W611 HydrophobicContact CG2-CB 3.9Å; V562-M641 HydrophobicContact CG1-CE 3.67Å |
| 563 | H | 93 | Very high | 88.5 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 164.7 | -176.5 | -167.6 | -92.9 | 0 | 0 | 0 | 110.9 | Y561 A609 W610 | Y561-H563 HydrophobicContact CE1-CB 3.64Å; Y561-H563 PolarHBondContact OH-CD2 3.31Å; H563-A609 WeakPolarHBondContact O-CA 3.44Å; H563-W610 HydrophobicContact CB-CH2 3.69Å; H563-W610 HydrophobicContact CB-CZ2 3.7Å; H563-W610 HydrophobicContact CB-CZ3 4.13Å; H563-W610 AromaticContact CG-CZ2 3.97Å; H563-W610 PolarHBondContact N-O 2.87Å; H563-W610 AromaticContact ND1-CZ2 3.61Å; H563-W610 PolarHBondContact O-N 3.3Å; H563-W610 VanDerWaalsContact O-O 3.05Å |
| 564 | A | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L566 A569 V595 A609 | A564-L566 HydrophobicContact CB-CB 4.5Å; A564-L566 HydrophobicContact CB-CD1 4.23Å; A564-L566 HydrophobicContact CB-CG 4.45Å; A564-L566 PolarHBondContact O-N 3.44Å; A564-A569 HydrophobicContact CB-CB 4.26Å; A564-V595 HydrophobicContact CB-CG2 3.84Å; A564-A609 HydrophobicContact CB-CB 4.29Å |
| 565 | D | 88.9 | Confident | 89.5 | Confident | 87 Ų | 87 | 34.4 Ų | 34.4 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -78.4 | 59.1 | 178.8 | -71.5 | -34.1 | 0 | 0 | 0 | 111.5 | W610 K638 Y640 | D565-W610 PolarHBondContact OD1-NE1 3.48Å; D565-W610 PolarHBondContact OD2-NE1 3.32Å; D565-W610 VanDerWaalsContact OD2-NE1 3.14Å; D565-K638 IonicContact OD1-NZ 3.45Å; D565-K638 PolarHBondContact OD1-NZ 3.49Å; D565-K638 IonicContact OD2-NZ 3.89Å; D565-K638 PolarHBondContact OD2-NZ 3.48Å; D565-Y640 PolarHBondContact OD2-OH 3.2Å |
| 566 | L | 86.4 | Confident | 89.5 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -135.5 | 147.2 | -172.4 | -74 | 174.2 | 0 | 0 | 0 | 112.2 | A564 G568 A569 V595 S598 A600 T607 | A564-L566 HydrophobicContact CB-CB 4.5Å; A564-L566 HydrophobicContact CB-CD1 4.23Å; A564-L566 HydrophobicContact CB-CG 4.45Å; A564-L566 PolarHBondContact O-N 3.44Å; L566-G568 PolarHBondContact O-N 3.21Å; L566-A569 HydrophobicContact CB-CB 4.28Å; L566-A569 WeakPolarHBondContact O-CB 3.41Å; L566-A569 PolarHBondContact O-N 2.79Å; L566-V595 HydrophobicContact CD1-CG1 4.28Å; L566-S598 WeakPolarHBondContact CD1-OG 3.41Å; L566-A600 HydrophobicContact CD1-CB 3.6Å; L566-T607 HydrophobicContact CD1-CG2 4.3Å; L566-T607 WeakPolarHBondContact CD1-OG1 3.43Å; L566-T607 HydrophobicContact CD2-CG2 4.32Å |
| 567 | H | 85.9 | Confident | 89.1 | Confident | 168 Ų | 168 | 30.7 Ų | 30.7 | 78% | 0.778 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 130.1 | 175.6 | -170.9 | 79.5 | 0 | 0 | 0 | 111.2 | A569 A599 | H567-A569 VanDerWaalsContact C-N 3.25Å; H567-A569 PolarHBondContact O-N 3.28Å; H567-A599 VanDerWaalsContact O-CB 3.28Å; H567-A599 WeakPolarHBondContact O-CB 3.37Å; H567-A599 PolarHBondContact O-N 3.01Å; H567-A599 VanDerWaalsContact O-N 3.13Å |
| 568 | G | 84.1 | Confident | 88.8 | Confident | 50 Ų | 50 | 30.5 Ų | 30.5 | 52% | 0.515 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 13.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L566 | L566-G568 PolarHBondContact O-N 3.21Š|
| 569 | A | 88.4 | Confident | 88.2 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | trans | -59.2 | 147.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A564 L566 H567 | A564-A569 HydrophobicContact CB-CB 4.26Å; L566-A569 HydrophobicContact CB-CB 4.28Å; L566-A569 WeakPolarHBondContact O-CB 3.41Å; L566-A569 PolarHBondContact O-N 2.79Å; H567-A569 VanDerWaalsContact C-N 3.25Å; H567-A569 PolarHBondContact O-N 3.28Å | ||
| 570 | T | 89.3 | Confident | 87.8 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | trans | -91.7 | 135.2 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | L528 G541 C572 Y597 | L528-T570 HydrophobicContact CD1-CG2 4.29Å; G541-T570 WeakPolarHBondContact O-CG2 3.43Å; T570-C572 PolarHBondContact O-N 2.94Å; T570-C572 VanDerWaalsContact O-N 3.16Å; T570-Y597 VanDerWaalsContact CG2-CB 3.46Å; T570-Y597 HydrophobicContact CG2-CG 4.36Å | ||
| 571 | S | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -68.2 | 107.4 | 169.3 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | A540 G541 N547 Y561 | A540-S571 VanDerWaalsContact CA-O 3.3Å; A540-S571 WeakPolarHBondContact CA-O 3.22Å; G541-S571 PolarHBondContact N-O 2.61Å; N547-S571 PolarHBondContact ND2-OG 3.05Å; Y561-S571 PolarHBondContact OH-OG 3.2Å | ||
| 572 | C | 92.9 | Very high | 87 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 141 | 174 | -66.3 | 0 | 0 | 0 | 0 | 110.1 | I539 A540 V562 T570 | I539-C572 CarbonylContact O-C 3.56Å; I539-C572 WeakPolarHBondContact O-CA 3.15Å; A540-C572 HydrophobicContact CB-CB 4.36Å; A540-C572 VanDerWaalsContact CB-SG 3.56Å; V562-C572 HydrophobicContact CB-CB 4.02Å; V562-C572 PolarHBondContact N-O 3.43Å; V562-C572 WeakPolarHBondContact O-CB 3.3Å; V562-C572 PolarHBondContact O-N 3.31Å; T570-C572 PolarHBondContact O-N 2.94Å; T570-C572 VanDerWaalsContact O-N 3.16Å |
| 573 | V | 93.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.2 | 170.1 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | I539 I550 L555 D559 I560 Y561 K575 | I539-V573 HydrophobicContact CG1-CB 4.18Å; I539-V573 PolarHBondContact N-O 3.5Å; I539-V573 PolarHBondContact O-N 2.69Å; I550-V573 HydrophobicContact CG2-CB 3.9Å; I550-V573 HydrophobicContact CG2-CG2 3.47Å; I550-V573 VanDerWaalsContact CG2-CG2 3.47Å; L555-V573 HydrophobicContact CB-CG1 4.34Å; L555-V573 HydrophobicContact CB-CG2 4.3Å; L555-V573 HydrophobicContact CD1-CG1 3.75Å; L555-V573 HydrophobicContact CD1-CG2 3.98Å; D559-V573 HydrophobicContact CB-CG1 4.22Å; I560-V573 WeakPolarHBondContact O-CA 3.47Å; Y561-V573 HydrophobicContact CD2-CG2 3.97Å; V573-K575 HydrophobicContact CG1-CD 4.43Å |
| 574 | I | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122 | 174.3 | -49.1 | 164.4 | 0 | 0 | 0 | 107.2 | Y536 T538 I560 V562 I582 T586 L587 A590 | Y536-I574 HydrophobicContact CD1-CG2 4.49Å; Y536-I574 HydrophobicContact CG-CG2 4.46Å; T538-I574 HydrophobicContact CG2-CG1 4.29Å; I560-I574 PolarHBondContact N-O 2.81Å; I560-I574 PolarHBondContact O-N 3.12Å; V562-I574 HydrophobicContact CG2-CD1 3.82Å; V562-I574 HydrophobicContact CG2-CG1 4.21Å; I574-I582 HydrophobicContact CB-CD1 3.86Å; I574-I582 HydrophobicContact CD1-CD1 4.38Å; I574-I582 HydrophobicContact CG2-CD1 3.67Å; I574-I582 HydrophobicContact CG2-CG2 4.31Å; I574-T586 HydrophobicContact CD1-CG2 4.24Å; I574-T586 HydrophobicContact CG2-CG2 3.75Å; I574-L587 HydrophobicContact CD1-CD2 3.69Å; I574-L587 HydrophobicContact CD1-CG 4.42Å; I574-A590 HydrophobicContact CD1-CB 3.74Å; I574-A590 HydrophobicContact CG1-CB 3.76Å |
| 575 | K | 90.1 | Very high | 86.4 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | trans | -80.1 | 119.1 | 179.5 | -68.8 | -58.3 | -58.5 | 145.9 | 0 | 110.5 | L537 Y554 D559 V573 P577 | L537-K575 HydrophobicContact CB-CB 4.35Å; L537-K575 VanDerWaalsContact O-CB 3.31Å; L537-K575 WeakPolarHBondContact O-CB 3.48Å; L537-K575 PolarHBondContact O-N 3.48Å; Y554-K575 WeakPolarHBondContact O-CD 3.19Å; Y554-K575 WeakPolarHBondContact O-CE 3.47Å; Y554-K575 PolarHBondContact O-NZ 2.77Å; D559-K575 WeakPolarHBondContact OD1-CA 3.32Å; D559-K575 IonicContact OD1-NZ 3.73Å; D559-K575 PolarHBondContact OD1-NZ 2.88Å; D559-K575 IonicContact OD2-NZ 3.19Å; D559-K575 PolarHBondContact OD2-NZ 3.34Å; V573-K575 HydrophobicContact CG1-CD 4.43Å; K575-P577 WeakPolarHBondContact O-CD 3.3Å | ||
| 576 | N | 87.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | trans | -116.4 | 84.9 | -179.8 | -174.5 | 8.9 | 0 | 0 | 0 | 110.8 | G558 D559 S578 G579 V580 I582 | G558-N576 WeakPolarHBondContact O-CB 3.29Å; G558-N576 PolarHBondContact O-ND2 2.93Å; G558-N576 VanDerWaalsContact O-ND2 3.11Å; D559-N576 PolarHBondContact OD1-N 3.09Å; N576-S578 VanDerWaalsContact C-N 3.3Å; N576-G579 PolarHBondContact OD1-N 3.38Å; N576-G579 VanDerWaalsContact OD1-N 3.14Å; N576-V580 PolarHBondContact ND2-O 3.25Å; N576-I582 HydrophobicContact CB-CD1 4Å; N576-I582 HydrophobicContact CB-CG1 4.33Å | ||
| 577 | P | 76.3 | Confident | 86.7 | Confident | 63 Ų | 63 | 41.7 Ų | 41.7 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -70.9 | -26.6 | 179.9 | 29.4 | -34.1 | 0 | 0 | 0 | 112.9 | K575 A969 | K575-P577 WeakPolarHBondContact O-CD 3.3Å; P577-A969 HydrophobicContact CB-CB 3.74Å |
| 578 | S | 75.5 | Confident | 87 | Confident | 65 Ų | 65 | 36 Ų | 36 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -91.5 | -8.9 | -170.7 | -32.4 | 0 | 0 | 0 | 0 | 113.5 | N576 V580 E973 | N576-S578 VanDerWaalsContact C-N 3.3Å; S578-V580 PolarHBondContact O-N 2.88Å; S578-E973 PolarHBondContact OG-OE1 2.85Å |
| 579 | G | 72.6 | Confident | 87.5 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 58% | 0.577 | 21% | 0.214 | S | C | * | . | trans | 73 | -11.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N576 | N576-G579 PolarHBondContact OD1-N 3.38Å; N576-G579 VanDerWaalsContact OD1-N 3.14Å | ||
| 580 | V | 81.6 | Confident | 87.7 | Confident | 81 Ų | 81 | 33.2 Ų | 33.2 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -61.5 | 145.3 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | N576 S578 I582 | N576-V580 PolarHBondContact ND2-O 3.25Å; S578-V580 PolarHBondContact O-N 2.88Å; V580-I582 PolarHBondContact O-N 2.97Å |
| 581 | P | 83.9 | Confident | 87.9 | Confident | 116 Ų | 116 | 32.7 Ų | 32.7 | 75% | 0.753 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -56.7 | 127.3 | 172.5 | 22.2 | -34.5 | 0 | 0 | 0 | 112 | ||
| 582 | I | 87.1 | Confident | 88 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 131.9 | -177.2 | -49.1 | -173.2 | 0 | 0 | 0 | 109.9 | Y536 I560 I574 N576 V580 T586 L587 | Y536-I582 HydrophobicContact CE1-CG1 4.46Å; I560-I582 HydrophobicContact CB-CD1 4.02Å; I560-I582 HydrophobicContact CD1-CB 4.11Å; I560-I582 HydrophobicContact CD1-CD1 3.76Å; I560-I582 HydrophobicContact CD1-CG1 3.87Å; I560-I582 HydrophobicContact CG1-CD1 3.82Å; I560-I582 HydrophobicContact CG1-CG1 4.39Å; I574-I582 HydrophobicContact CB-CD1 3.86Å; I574-I582 HydrophobicContact CD1-CD1 4.38Å; I574-I582 HydrophobicContact CG2-CD1 3.67Å; I574-I582 HydrophobicContact CG2-CG2 4.31Å; N576-I582 HydrophobicContact CB-CD1 4Å; N576-I582 HydrophobicContact CB-CG1 4.33Å; V580-I582 PolarHBondContact O-N 2.97Å; I582-T586 HydrophobicContact CG2-CG2 3.59Å; I582-L587 HydrophobicContact CG2-CG 4.4Å |
| 583 | P | 88.6 | Confident | 88 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 13% | 0.13 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 158.1 | -178.4 | -21.1 | 32.5 | 0 | 0 | 0 | 114.2 | E534 Y536 R585 T586 L587 V670 | E534-P583 WeakPolarHBondContact OE1-CB 3.48Å; E534-P583 WeakPolarHBondContact OE1-CG 3.28Å; Y536-P583 HydrophobicContact CE2-CG 4.44Å; P583-R585 PolarHBondContact O-N 3.14Å; P583-T586 PolarHBondContact O-N 3.49Å; P583-L587 WeakPolarHBondContact O-CG 3.47Å; P583-L587 PolarHBondContact O-N 3.03Å; P583-V670 HydrophobicContact CG-CG1 3.93Å; P583-V670 HydrophobicContact CG-CG2 3.95Å |
| 584 | P | 87.9 | Confident | 87.9 | Confident | 103 Ų | 103 | 33.5 Ų | 33.5 | 67% | 0.669 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.1 | -23.8 | -178.6 | 26.7 | -34.9 | 0 | 0 | 0 | 113.8 | T588 | P584-T588 WeakPolarHBondContact O-CB 3.37Å; P584-T588 WeakPolarHBondContact O-CG2 3.16Å; P584-T588 PolarHBondContact O-N 3.26Å; P584-T588 PolarHBondContact O-OG1 3.14Å |
| 585 | R | 88.8 | Confident | 87.9 | Confident | 55 Ų | 55 | 33.6 Ų | 33.6 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -55 | 177.3 | -174.5 | 171.4 | 175.1 | 163.4 | -1.6 | 111.2 | S533 P583 L587 T588 E589 D676 D679 T1000 | S533-R585 WeakPolarHBondContact OG-CD 3.45Å; S533-R585 PolarHBondContact OG-NE 3.05Å; P583-R585 PolarHBondContact O-N 3.14Å; R585-L587 VanDerWaalsContact C-N 3.25Å; R585-L587 PolarHBondContact O-N 2.91Å; R585-T588 PolarHBondContact O-N 2.86Å; R585-T588 PolarHBondContact O-OG1 3.24Å; R585-E589 IonicContact NE-OE1 2.86Å; R585-E589 WeakPolarHBondContact O-CB 3.37Å; R585-E589 WeakPolarHBondContact O-CG 3.49Å; R585-E589 PolarHBondContact O-N 2.85Å; R585-D676 IonicContact NH1-OD1 2.76Å; R585-D676 PolarHBondContact NH1-OD1 3.32Å; R585-D679 IonicContact NH1-OD2 3.83Å; R585-T1000 PolarHBondContact NH2-O 3.11Å |
| 586 | T | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.9 | -38.8 | 171.5 | -71 | 0 | 0 | 0 | 0 | 112.7 | S532 E534 Y536 I574 I582 P583 A590 | S532-T586 VanDerWaalsContact CB-OG1 3.25Å; S532-T586 WeakPolarHBondContact CB-OG1 3.47Å; S532-T586 PolarHBondContact OG-OG1 3.04Å; E534-T586 WeakPolarHBondContact OE2-CB 3.28Å; E534-T586 PolarHBondContact OE2-N 3.29Å; E534-T586 PolarHBondContact OE2-OG1 2.88Å; Y536-T586 HydrophobicContact CD2-CG2 4.13Å; Y536-T586 HydrophobicContact CG-CG2 4.12Å; I574-T586 HydrophobicContact CD1-CG2 4.24Å; I574-T586 HydrophobicContact CG2-CG2 3.75Å; I582-T586 HydrophobicContact CG2-CG2 3.59Å; P583-T586 PolarHBondContact O-N 3.49Å; T586-A590 WeakPolarHBondContact O-CB 3.46Å; T586-A590 PolarHBondContact O-N 3.23Å |
| 587 | L | 91.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 176.6 | -75.4 | 166.5 | 0 | 0 | 0 | 112.7 | I560 I574 I582 P583 R585 A590 G591 W611 M641 | I560-L587 HydrophobicContact CD1-CD2 4.13Å; I560-L587 HydrophobicContact CG2-CD2 3.91Å; I574-L587 HydrophobicContact CD1-CD2 3.69Å; I574-L587 HydrophobicContact CD1-CG 4.42Å; I582-L587 HydrophobicContact CG2-CG 4.4Å; P583-L587 WeakPolarHBondContact O-CG 3.47Å; P583-L587 PolarHBondContact O-N 3.03Å; R585-L587 VanDerWaalsContact C-N 3.25Å; R585-L587 PolarHBondContact O-N 2.91Å; L587-A590 PolarHBondContact O-N 2.94Å; L587-G591 PolarHBondContact O-N 3.22Å; L587-W611 HydrophobicContact CD2-CB 4.32Å; L587-W611 HydrophobicContact CD2-CD2 4.25Å; L587-W611 HydrophobicContact CD2-CG 3.99Å; L587-M641 VanDerWaalsContact C-SD 3.56Å; L587-M641 HydrophobicContact CB-SD 3.96Å; L587-M641 VanDerWaalsContact O-SD 3.34Å |
| 588 | T | 92.2 | Very high | 88.9 | Confident | 48 Ų | 48 | 30.5 Ų | 30.5 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.1 | -30.4 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | P584 R585 G591 T592 M641 | P584-T588 WeakPolarHBondContact O-CB 3.37Å; P584-T588 WeakPolarHBondContact O-CG2 3.16Å; P584-T588 PolarHBondContact O-N 3.26Å; P584-T588 PolarHBondContact O-OG1 3.14Å; R585-T588 PolarHBondContact O-N 2.86Å; R585-T588 PolarHBondContact O-OG1 3.24Å; T588-G591 PolarHBondContact O-N 2.89Å; T588-T592 WeakPolarHBondContact O-CB 3.35Å; T588-T592 PolarHBondContact O-N 2.8Å; T588-T592 PolarHBondContact O-OG1 3.35Å; T588-M641 HydrophobicContact CG2-CB 4.48Å; T588-M641 HydrophobicContact CG2-SD 4.27Å |
| 589 | E | 93.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -50 | 168.3 | -75.3 | -179.2 | 178.9 | 0 | 0 | 111.5 | F530 S532 S533 R585 G591 T592 M593 P998 T1000 A1001 | F530-E589 HydrophobicContact CE2-CB 3.9Å; F530-E589 HydrophobicContact CZ-CB 3.9Å; S532-E589 WeakPolarHBondContact CA-OE2 3.32Å; S532-E589 WeakPolarHBondContact CB-OE2 3.29Å; S533-E589 PolarHBondContact N-OE2 3.47Å; S533-E589 VanDerWaalsContact N-OE2 3.12Å; S533-E589 PolarHBondContact OG-OE1 3.46Å; R585-E589 IonicContact NE-OE1 2.86Å; R585-E589 WeakPolarHBondContact O-CB 3.37Å; R585-E589 WeakPolarHBondContact O-CG 3.49Å; R585-E589 PolarHBondContact O-N 2.85Å; E589-G591 VanDerWaalsContact C-N 3.3Å; E589-G591 PolarHBondContact O-N 3.49Å; E589-T592 WeakPolarHBondContact O-CB 3.47Å; E589-T592 PolarHBondContact O-N 2.82Å; E589-M593 PolarHBondContact O-N 3.19Å; E589-P998 HydrophobicContact CB-CB 4.39Å; E589-P998 HydrophobicContact CB-CG 3.98Å; E589-P998 HydrophobicContact CG-CB 4.3Å; E589-P998 HydrophobicContact CG-CG 4.42Å; E589-P998 WeakPolarHBondContact O-CG 3.41Å; E589-T1000 WeakPolarHBondContact CG-OG1 3.32Å; E589-T1000 VanDerWaalsContact OE1-C 3.31Å; E589-T1000 PolarHBondContact OE1-OG1 3.5Å; E589-A1001 HydrophobicContact CG-CB 4.42Å; E589-A1001 WeakPolarHBondContact OE1-CA 3.22Å; E589-A1001 PolarHBondContact OE1-N 2.93Å; E589-A1001 WeakPolarHBondContact OE2-CB 3.24Å |
| 590 | A | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T538 V562 I574 T586 L587 M593 A594 | T538-A590 HydrophobicContact CG2-CB 3.95Å; V562-A590 HydrophobicContact CB-CB 4.43Å; V562-A590 HydrophobicContact CG1-CB 4.41Å; V562-A590 HydrophobicContact CG2-CB 4.15Å; I574-A590 HydrophobicContact CD1-CB 3.74Å; I574-A590 HydrophobicContact CG1-CB 3.76Å; T586-A590 WeakPolarHBondContact O-CB 3.46Å; T586-A590 PolarHBondContact O-N 3.23Å; L587-A590 PolarHBondContact O-N 2.94Å; A590-M593 PolarHBondContact O-N 2.84Å; A590-A594 PolarHBondContact O-N 3.32Å |
| 591 | G | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L587 T588 E589 M593 A594 V595 | L587-G591 PolarHBondContact O-N 3.22Å; T588-G591 PolarHBondContact O-N 2.89Å; E589-G591 VanDerWaalsContact C-N 3.3Å; E589-G591 PolarHBondContact O-N 3.49Å; G591-M593 VanDerWaalsContact C-N 3.29Å; G591-M593 PolarHBondContact O-N 3.15Å; G591-A594 PolarHBondContact O-N 3.12Å; G591-A594 VanDerWaalsContact O-N 3.12Å; G591-V595 WeakPolarHBondContact O-CG2 3.23Å; G591-V595 PolarHBondContact O-N 3.29Å |
| 592 | T | 93 | Very high | 91.2 | Very high | 17 Ų | 17 | 23 Ų | 23 | 10% | 0.104 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 111 | T588 E589 V595 C596 P998 | T588-T592 WeakPolarHBondContact O-CB 3.35Å; T588-T592 PolarHBondContact O-N 2.8Å; T588-T592 PolarHBondContact O-OG1 3.35Å; E589-T592 WeakPolarHBondContact O-CB 3.47Å; E589-T592 PolarHBondContact O-N 2.82Å; T592-V595 PolarHBondContact O-N 3.17Å; T592-C596 VanDerWaalsContact O-CB 3.28Å; T592-C596 WeakPolarHBondContact O-CB 3.43Å; T592-C596 PolarHBondContact O-N 3.34Å; T592-C596 PolarHBondContact O-SG 3.36Å; T592-P998 HydrophobicContact CG2-CB 4.06Å; T592-P998 HydrophobicContact CG2-CG 4.41Å |
| 593 | M | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.5 | 177.6 | 163.8 | -71.7 | 0 | 0 | 112 | F530 A540 E589 A590 G591 V595 C596 Y597 M648 P998 | F530-M593 HydrophobicContact CB-CE 4.31Å; F530-M593 HydrophobicContact CD1-CE 3.2Å; F530-M593 HydrophobicContact CD1-SD 3.66Å; F530-M593 HydrophobicContact CE1-CB 4.16Å; F530-M593 HydrophobicContact CE1-CE 3.69Å; F530-M593 HydrophobicContact CE1-SD 3.76Å; F530-M593 HydrophobicContact CG-CE 4Å; A540-M593 HydrophobicContact CB-SD 4.33Å; E589-M593 PolarHBondContact O-N 3.19Å; A590-M593 PolarHBondContact O-N 2.84Å; G591-M593 VanDerWaalsContact C-N 3.29Å; G591-M593 PolarHBondContact O-N 3.15Å; M593-V595 VanDerWaalsContact C-N 3.3Å; M593-V595 PolarHBondContact O-N 3.26Å; M593-C596 PolarHBondContact O-N 3.16Å; M593-Y597 HydrophobicContact CE-CE2 4.05Å; M593-Y597 HydrophobicContact CG-CD2 3.7Å; M593-Y597 HydrophobicContact CG-CE2 3.67Å; M593-Y597 WeakPolarHBondContact O-CD2 3.21Å; M593-Y597 PolarHBondContact O-N 3.26Å; M593-Y597 HydrophobicContact SD-CE2 4.1Å; M593-M648 HydrophobicContact CE-CE 3.95Å; M593-P998 HydrophobicContact CB-CG 4.49Å |
| 594 | A | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | A590 G591 | A590-A594 PolarHBondContact O-N 3.32Å; G591-A594 PolarHBondContact O-N 3.12Å; G591-A594 VanDerWaalsContact O-N 3.12Å |
| 595 | V | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.1 | -43.4 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | A564 L566 G591 T592 M593 Y597 S598 A600 T607 A609 L646 | A564-V595 HydrophobicContact CB-CG2 3.84Å; L566-V595 HydrophobicContact CD1-CG1 4.28Å; G591-V595 WeakPolarHBondContact O-CG2 3.23Å; G591-V595 PolarHBondContact O-N 3.29Å; T592-V595 PolarHBondContact O-N 3.17Å; M593-V595 VanDerWaalsContact C-N 3.3Å; M593-V595 PolarHBondContact O-N 3.26Å; V595-Y597 VanDerWaalsContact C-N 3.3Å; V595-Y597 PolarHBondContact O-N 3.45Å; V595-S598 WeakPolarHBondContact O-CB 3.5Å; V595-S598 PolarHBondContact O-N 3.17Å; V595-S598 PolarHBondContact O-OG 3.17Å; V595-A600 HydrophobicContact CG1-CB 4.05Å; V595-T607 WeakPolarHBondContact CG1-OG1 3.47Å; V595-A609 HydrophobicContact CG2-CB 4.15Å; V595-L646 HydrophobicContact CG1-CD2 3.74Å |
| 596 | C | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.7 | -16.4 | -174.7 | -70.9 | 0 | 0 | 0 | 0 | 115.3 | T592 M593 W601 M648 | T592-C596 VanDerWaalsContact O-CB 3.28Å; T592-C596 WeakPolarHBondContact O-CB 3.43Å; T592-C596 PolarHBondContact O-N 3.34Å; T592-C596 PolarHBondContact O-SG 3.36Å; M593-C596 PolarHBondContact O-N 3.16Å; C596-W601 HydrophobicContact CB-CE3 3.81Å; C596-W601 HydrophobicContact CB-CZ3 4.05Å; C596-W601 WeakPolarHBondContact O-CB 3.46Å; C596-M648 HydrophobicContact CB-CG 3.65Å; C596-M648 HydrophobicContact CB-SD 3.76Å |
| 597 | Y | 91.9 | Very high | 91.2 | Very high | 40 Ų | 40 | 33.1 Ų | 33.1 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 4.4 | 170.1 | -69.8 | -73.2 | 0 | 0 | 0 | 114.1 | L528 T570 M593 V595 M648 N1054 P1056 | L528-Y597 HydrophobicContact CD1-CD1 3.83Å; L528-Y597 HydrophobicContact CD1-CD2 3.73Å; L528-Y597 HydrophobicContact CD1-CE1 3.93Å; L528-Y597 HydrophobicContact CD1-CE2 3.84Å; L528-Y597 HydrophobicContact CD1-CG 3.73Å; L528-Y597 HydrophobicContact CD2-CE1 3.96Å; L528-Y597 HydrophobicContact CD2-CE2 4.45Å; T570-Y597 VanDerWaalsContact CG2-CB 3.46Å; T570-Y597 HydrophobicContact CG2-CG 4.36Å; M593-Y597 HydrophobicContact CE-CE2 4.05Å; M593-Y597 HydrophobicContact CG-CD2 3.7Å; M593-Y597 HydrophobicContact CG-CE2 3.67Å; M593-Y597 WeakPolarHBondContact O-CD2 3.21Å; M593-Y597 PolarHBondContact O-N 3.26Å; M593-Y597 HydrophobicContact SD-CE2 4.1Å; V595-Y597 VanDerWaalsContact C-N 3.3Å; V595-Y597 PolarHBondContact O-N 3.45Å; Y597-M648 HydrophobicContact CE2-CE 3.94Å; Y597-N1054 PolarHBondContact OH-O 2.93Å; Y597-P1056 HydrophobicContact CD1-CG 4.31Å; Y597-P1056 HydrophobicContact CE1-CB 4.48Å; Y597-P1056 HydrophobicContact CE1-CG 3.83Å |
| 598 | S | 91.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -90.7 | 177.8 | 176.2 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | L566 V595 A600 W601 | L566-S598 WeakPolarHBondContact CD1-OG 3.41Å; V595-S598 WeakPolarHBondContact O-CB 3.5Å; V595-S598 PolarHBondContact O-N 3.17Å; V595-S598 PolarHBondContact O-OG 3.17Å; S598-A600 PolarHBondContact O-N 3.4Å; S598-A600 VanDerWaalsContact O-N 3.09Å; S598-A600 WeakPolarHBondContact OG-CB 3.49Å; S598-A600 PolarHBondContact OG-N 3.05Å; S598-A600 VanDerWaalsContact OG-N 3.1Å; S598-W601 PolarHBondContact O-N 2.86Å; S598-W601 VanDerWaalsContact O-N 3.15Å |
| 599 | A | 89.9 | Confident | 91.1 | Very high | 51 Ų | 51 | 32.2 Ų | 32.2 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H567 W601 D602 A603 | H567-A599 VanDerWaalsContact O-CB 3.28Å; H567-A599 WeakPolarHBondContact O-CB 3.37Å; H567-A599 PolarHBondContact O-N 3.01Å; H567-A599 VanDerWaalsContact O-N 3.13Å; A599-W601 PolarHBondContact O-N 3.08Å; A599-D602 PolarHBondContact O-N 3.13Å; A599-A603 WeakPolarHBondContact O-CB 3.38Å; A599-A603 PolarHBondContact O-N 3.48Å; A599-A603 VanDerWaalsContact O-N 3.13Å |
| 600 | A | 89.9 | Confident | 91.2 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -25.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L566 V595 S598 K604 V605 L646 | L566-A600 HydrophobicContact CD1-CB 3.6Å; V595-A600 HydrophobicContact CG1-CB 4.05Å; S598-A600 PolarHBondContact O-N 3.4Å; S598-A600 VanDerWaalsContact O-N 3.09Å; S598-A600 WeakPolarHBondContact OG-CB 3.49Å; S598-A600 PolarHBondContact OG-N 3.05Å; S598-A600 VanDerWaalsContact OG-N 3.1Å; A600-K604 VanDerWaalsContact O-CA 3.3Å; A600-K604 WeakPolarHBondContact O-CA 3.34Å; A600-K604 PolarHBondContact O-N 2.93Å; A600-V605 WeakPolarHBondContact CB-O 3.41Å; A600-V605 PolarHBondContact O-N 2.93Å; A600-V605 VanDerWaalsContact O-N 3.15Å; A600-L646 WeakPolarHBondContact O-CD1 3.29Å |
| 601 | W | 91.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -54.5 | 176.6 | -176.8 | -84.9 | 0 | 0 | 0 | 112.1 | C596 S598 A599 A603 K604 L646 M648 T1012 P1013 P1056 K1058 V1059 | C596-W601 HydrophobicContact CB-CE3 3.81Å; C596-W601 HydrophobicContact CB-CZ3 4.05Å; C596-W601 WeakPolarHBondContact O-CB 3.46Å; S598-W601 PolarHBondContact O-N 2.86Å; S598-W601 VanDerWaalsContact O-N 3.15Å; A599-W601 PolarHBondContact O-N 3.08Å; W601-A603 VanDerWaalsContact C-N 3.32Å; W601-A603 PolarHBondContact O-N 3.3Å; W601-K604 PolarHBondContact O-N 2.93Å; W601-L646 HydrophobicContact CE3-CB 4.47Å; W601-L646 HydrophobicContact CZ3-CB 4.44Å; W601-M648 HydrophobicContact CH2-CB 4.48Å; W601-M648 HydrophobicContact CH2-CG 4.44Å; W601-M648 HydrophobicContact CZ3-CB 4.44Å; W601-M648 HydrophobicContact CZ3-CG 3.94Å; W601-T1012 WeakPolarHBondContact CZ2-O 3.42Å; W601-P1013 HydrophobicContact CD2-CG 3.93Å; W601-P1013 HydrophobicContact CE3-CG 4.09Å; W601-P1013 HydrophobicContact CG-CG 4.42Å; W601-P1013 HydrophobicContact CH2-CG 4.27Å; W601-P1013 HydrophobicContact CZ2-CB 4.49Å; W601-P1013 HydrophobicContact CZ2-CG 4.08Å; W601-P1013 HydrophobicContact CZ3-CG 4.27Å; W601-P1013 WeakPolarHBondContact O-CB 3.48Å; W601-P1056 HydrophobicContact CD2-CB 3.75Å; W601-P1056 HydrophobicContact CD2-CG 4.48Å; W601-P1056 HydrophobicContact CE3-CB 4.15Å; W601-P1056 HydrophobicContact CE3-CG 4.4Å; W601-P1056 HydrophobicContact CG-CB 4.2Å; W601-P1056 HydrophobicContact CH2-CB 4.36Å; W601-P1056 HydrophobicContact CH2-CG 4.4Å; W601-P1056 HydrophobicContact CZ2-CB 4Å; W601-P1056 HydrophobicContact CZ2-CG 4.49Å; W601-P1056 HydrophobicContact CZ3-CB 4.43Å; W601-P1056 HydrophobicContact CZ3-CG 4.35Å; W601-K1058 PolarHBondContact NE1-O 3.48Å; W601-V1059 HydrophobicContact CZ2-CB 4.23Å; W601-V1059 HydrophobicContact CZ2-CG1 3.68Å |
| 602 | D | 89.4 | Confident | 91.3 | Very high | 102 Ų | 102 | 34.9 Ų | 34.9 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.1 | -26.3 | -179.6 | -83.3 | -19.1 | 0 | 0 | 0 | 112 | A599 | A599-D602 PolarHBondContact O-N 3.13Å |
| 603 | A | 89.2 | Confident | 91.3 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -84.7 | -11.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A599 W601 V605 | A599-A603 WeakPolarHBondContact O-CB 3.38Å; A599-A603 PolarHBondContact O-N 3.48Å; A599-A603 VanDerWaalsContact O-N 3.13Å; W601-A603 VanDerWaalsContact C-N 3.32Å; W601-A603 PolarHBondContact O-N 3.3Å; A603-V605 VanDerWaalsContact C-N 3.31Å; A603-V605 HydrophobicContact CB-CG2 3.9Å; A603-V605 PolarHBondContact O-N 3.35Å |
| 604 | K | 90 | Very high | 91.1 | Very high | 145 Ų | 145 | 42.6 Ų | 42.6 | 63% | 0.63 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.2 | -175.3 | -52.9 | -173.2 | 178.6 | 179.9 | 0 | 116 | A600 W601 P1013 | A600-K604 VanDerWaalsContact O-CA 3.3Å; A600-K604 WeakPolarHBondContact O-CA 3.34Å; A600-K604 PolarHBondContact O-N 2.93Å; W601-K604 PolarHBondContact O-N 2.93Å; K604-P1013 HydrophobicContact CD-CB 4.45Å; K604-P1013 HydrophobicContact CG-CB 3.88Å |
| 605 | V | 87.7 | Confident | 90.9 | Very high | 74 Ų | 74 | 48.2 Ų | 48.2 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | trans | -90.9 | 122.3 | -176.5 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | A600 A603 T607 | A600-V605 WeakPolarHBondContact CB-O 3.41Å; A600-V605 PolarHBondContact O-N 2.93Å; A600-V605 VanDerWaalsContact O-N 3.15Å; A603-V605 VanDerWaalsContact C-N 3.31Å; A603-V605 HydrophobicContact CB-CG2 3.9Å; A603-V605 PolarHBondContact O-N 3.35Å; V605-T607 HydrophobicContact CG1-CG2 3.89Å | ||
| 606 | I | 87.6 | Confident | 90.7 | Very high | 88 Ų | 88 | 49 Ų | 49 | 45% | 0.451 | 26% | 0.257 | S | S | . | . | trans | -78.2 | 131.7 | 171.9 | -65.2 | 171.3 | 0 | 0 | 0 | 108.8 | P643 Y645 | I606-P643 HydrophobicContact CG2-CB 3.86Å; I606-Y645 HydrophobicContact CD1-CD1 3.78Å; I606-Y645 HydrophobicContact CD1-CE1 4.13Å | ||
| 607 | T | 88.4 | Confident | 90.6 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -148.9 | 165.1 | -176.6 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | L566 V595 V605 P643 S644 | L566-T607 HydrophobicContact CD1-CG2 4.3Å; L566-T607 WeakPolarHBondContact CD1-OG1 3.43Å; L566-T607 HydrophobicContact CD2-CG2 4.32Å; V595-T607 WeakPolarHBondContact CG1-OG1 3.47Å; V605-T607 HydrophobicContact CG1-CG2 3.89Å; T607-P643 WeakPolarHBondContact O-CA 3.47Å; T607-S644 PolarHBondContact O-N 3.2Å |
| 608 | S | 90.2 | Very high | 90.2 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | trans | -89.6 | 140.1 | 171.3 | 45 | 0 | 0 | 0 | 0 | 112 | M641 | S608-M641 WeakPolarHBondContact CB-O 3.5Š| ||
| 609 | A | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 167.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H563 A564 V595 M641 | H563-A609 WeakPolarHBondContact O-CA 3.44Å; A564-A609 HydrophobicContact CB-CB 4.29Å; V595-A609 HydrophobicContact CG2-CB 4.15Å; A609-M641 HydrophobicContact CB-CE 3.74Å; A609-M641 PolarHBondContact O-N 2.91Å |
| 610 | W | 94.6 | Very high | 89.1 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.2 | 173.7 | 52.5 | -97.7 | 0 | 0 | 0 | 111 | Y561 V562 H563 D565 V612 I634 K638 N639 Y640 | Y561-W610 HydrophobicContact CD1-CH2 4.44Å; Y561-W610 HydrophobicContact CD1-CZ3 4.03Å; Y561-W610 AromaticContact CE1-CH2 3.88Å; Y561-W610 HydrophobicContact CE1-CH2 3.88Å; Y561-W610 AromaticContact CE1-CZ3 3.93Å; Y561-W610 HydrophobicContact CE1-CZ3 3.93Å; V562-W610 WeakPolarHBondContact CA-O 3.32Å; H563-W610 HydrophobicContact CB-CH2 3.69Å; H563-W610 HydrophobicContact CB-CZ2 3.7Å; H563-W610 HydrophobicContact CB-CZ3 4.13Å; H563-W610 AromaticContact CG-CZ2 3.97Å; H563-W610 PolarHBondContact N-O 2.87Å; H563-W610 AromaticContact ND1-CZ2 3.61Å; H563-W610 PolarHBondContact O-N 3.3Å; H563-W610 VanDerWaalsContact O-O 3.05Å; D565-W610 PolarHBondContact OD1-NE1 3.48Å; D565-W610 PolarHBondContact OD2-NE1 3.32Å; D565-W610 VanDerWaalsContact OD2-NE1 3.14Å; W610-V612 HydrophobicContact CE3-CG1 4.31Å; W610-V612 HydrophobicContact CZ3-CG1 4.38Å; W610-V612 HydrophobicContact CZ3-CG2 4.03Å; W610-I634 HydrophobicContact CH2-CD1 3.82Å; W610-I634 HydrophobicContact CH2-CG1 3.49Å; W610-I634 VanDerWaalsContact CH2-CG1 3.49Å; W610-I634 HydrophobicContact CZ2-CG1 4.42Å; W610-I634 HydrophobicContact CZ3-CD1 4.01Å; W610-I634 HydrophobicContact CZ3-CG1 3.85Å; W610-K638 HydrophobicContact CB-CB 4.33Å; W610-K638 HydrophobicContact CD2-CD 3.8Å; W610-K638 HydrophobicContact CD2-CG 4.05Å; W610-K638 VanDerWaalsContact CE2-CE 3.41Å; W610-K638 HydrophobicContact CE3-CD 4.29Å; W610-K638 HydrophobicContact CE3-CG 4.05Å; W610-K638 HydrophobicContact CG-CB 4.42Å; W610-K638 HydrophobicContact CG-CD 3.93Å; W610-K638 HydrophobicContact CG-CG 4.35Å; W610-K638 HydrophobicContact CZ2-CD 4.47Å; W610-N639 CarbonylContact C-O 3.56Å; W610-N639 WeakPolarHBondContact CA-O 3.39Å; W610-N639 WeakPolarHBondContact CB-O 3.41Å; W610-Y640 HydrophobicContact CB-CD1 3.87Å; W610-Y640 HydrophobicContact CB-CD2 4.43Å; W610-Y640 HydrophobicContact CB-CE1 4.06Å; W610-Y640 HydrophobicContact CB-CG 4.06Å; W610-Y640 AromaticContact CD1-CE1 3.5Å; W610-Y640 VanDerWaalsContact CD1-CE1 3.5Å; W610-Y640 AromaticContact CD1-CZ 3.89Å; W610-Y640 HydrophobicContact CG-CD1 4.39Å; W610-Y640 HydrophobicContact CG-CE1 4.1Å |
| 611 | W | 94.3 | Very high | 88.4 | Confident | 48 Ų | 48 | 56 Ų | 56 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158 | 176.8 | 70.1 | -96.3 | 0 | 0 | 0 | 112.2 | I560 Y561 V562 L587 H613 N639 | I560-W611 HydrophobicContact CD1-CE3 4.18Å; I560-W611 HydrophobicContact CD1-CZ3 4.13Å; I560-W611 HydrophobicContact CG2-CB 3.87Å; I560-W611 HydrophobicContact CG2-CD2 4.2Å; I560-W611 HydrophobicContact CG2-CE3 3.73Å; I560-W611 HydrophobicContact CG2-CG 4.31Å; Y561-W611 CarbonylContact O-C 3.54Å; Y561-W611 VanDerWaalsContact O-CA 3.23Å; Y561-W611 WeakPolarHBondContact O-CA 3.35Å; V562-W611 HydrophobicContact CG2-CB 3.9Å; L587-W611 HydrophobicContact CD2-CB 4.32Å; L587-W611 HydrophobicContact CD2-CD2 4.25Å; L587-W611 HydrophobicContact CD2-CG 3.99Å; W611-H613 AromaticContact CH2-NE2 3.87Å; W611-H613 AromaticContact CZ3-CD2 3.93Å; W611-H613 AromaticContact CZ3-CE1 3.76Å; W611-H613 AromaticContact CZ3-NE2 3.51Å; W611-N639 HydrophobicContact CD2-CB 3.88Å; W611-N639 HydrophobicContact CG-CB 4.17Å; W611-N639 WeakPolarHBondContact CH2-ND2 3.33Å; W611-N639 HydrophobicContact CZ2-CB 3.93Å; W611-N639 VanDerWaalsContact CZ2-ND2 3.29Å; W611-N639 WeakPolarHBondContact CZ2-ND2 3.36Å; W611-N639 WeakPolarHBondContact CZ3-ND2 3.41Å; W611-N639 PolarHBondContact N-O 2.96Å; W611-N639 PolarHBondContact O-N 2.84Å |
| 612 | V | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 159.1 | 175.1 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | Y561 W610 Q616 V617 I634 | Y561-V612 HydrophobicContact CD1-CG2 3.95Å; Y561-V612 PolarHBondContact N-O 3.42Å; Y561-V612 PolarHBondContact O-N 2.99Å; W610-V612 HydrophobicContact CE3-CG1 4.31Å; W610-V612 HydrophobicContact CZ3-CG1 4.38Å; W610-V612 HydrophobicContact CZ3-CG2 4.03Å; V612-Q616 HydrophobicContact CB-CB 3.96Å; V612-Q616 HydrophobicContact CB-CG 4.36Å; V612-Q616 HydrophobicContact CG1-CB 4.49Å; V612-Q616 HydrophobicContact CG2-CB 4.25Å; V612-V617 HydrophobicContact CG2-CG2 3.78Å; V612-I634 HydrophobicContact CB-CG2 4.41Å; V612-I634 HydrophobicContact CG1-CG2 3.71Å; V612-I634 HydrophobicContact CG2-CD1 4.28Å; V612-I634 HydrophobicContact CG2-CG2 4.15Å |
| 613 | H | 91.9 | Very high | 86.3 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 157.5 | 174.5 | -63 | -80.2 | 0 | 0 | 0 | 112.3 | W611 H615 Q616 | W611-H613 AromaticContact CH2-NE2 3.87Å; W611-H613 AromaticContact CZ3-CD2 3.93Å; W611-H613 AromaticContact CZ3-CE1 3.76Å; W611-H613 AromaticContact CZ3-NE2 3.51Å; H613-H615 VanDerWaalsContact C-N 3.3Å; H613-H615 WeakPolarHBondContact CB-NE2 3.44Å; H613-H615 PolarHBondContact O-N 3.26Å; H613-H615 VanDerWaalsContact O-N 3.15Å; H613-Q616 WeakPolarHBondContact O-CB 3.45Å; H613-Q616 PolarHBondContact O-N 2.93Å |
| 614 | Y | 89.1 | Confident | 85.4 | Confident | 103 Ų | 103 | 61.7 Ų | 61.7 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -47.1 | -45.8 | -178.2 | 83 | -75.1 | 0 | 0 | 0 | 114.3 | R556 A557 D559 Q616 V617 | R556-Y614 VanDerWaalsContact O-CB 3.27Å; R556-Y614 WeakPolarHBondContact O-CB 3.25Å; A557-Y614 HydrophobicContact CB-CD1 4.43Å; A557-Y614 HydrophobicContact CB-CD2 4.46Å; A557-Y614 HydrophobicContact CB-CE1 3.99Å; A557-Y614 HydrophobicContact CB-CE2 4.02Å; D559-Y614 PolarHBondContact O-N 2.89Å; Y614-Q616 PolarHBondContact O-N 3.27Å; Y614-Q616 VanDerWaalsContact O-N 3.13Å; Y614-V617 PolarHBondContact O-N 2.79Å; Y614-V617 VanDerWaalsContact O-N 3.08Å |
| 615 | H | 89.2 | Confident | 84.7 | Confident | 118 Ų | 118 | 61 Ų | 61 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -67.3 | -12.8 | -176.5 | 67 | 85.5 | 0 | 0 | 0 | 114.1 | H613 | H613-H615 VanDerWaalsContact C-N 3.3Å; H613-H615 WeakPolarHBondContact CB-NE2 3.44Å; H613-H615 PolarHBondContact O-N 3.26Å; H613-H615 VanDerWaalsContact O-N 3.15Å |
| 616 | Q | 89.3 | Confident | 84 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -85.3 | -17.9 | 175.8 | -59.5 | -172.8 | -103.9 | 0 | 0 | 112.6 | V612 H613 Y614 I634 R635 K637 | V612-Q616 HydrophobicContact CB-CB 3.96Å; V612-Q616 HydrophobicContact CB-CG 4.36Å; V612-Q616 HydrophobicContact CG1-CB 4.49Å; V612-Q616 HydrophobicContact CG2-CB 4.25Å; H613-Q616 WeakPolarHBondContact O-CB 3.45Å; H613-Q616 PolarHBondContact O-N 2.93Å; Y614-Q616 PolarHBondContact O-N 3.27Å; Y614-Q616 VanDerWaalsContact O-N 3.13Å; Q616-I634 CarbonylContact O-C 3.53Å; Q616-I634 WeakPolarHBondContact O-CA 3.43Å; Q616-R635 WeakPolarHBondContact CB-O 3.33Å; Q616-R635 WeakPolarHBondContact CG-O 2.99Å; Q616-R635 PolarHBondContact NE2-O 3.2Å; Q616-R635 PolarHBondContact O-N 3.44Å; Q616-K637 PolarHBondContact NE2-O 3.16Å |
| 617 | V | 89.2 | Confident | 83.5 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115.2 | -173.9 | -170.8 | 0 | 0 | 0 | 0 | 110 | V551 L555 Y561 V612 Y614 F632 I634 | V551-V617 HydrophobicContact CG1-CG1 3.69Å; L555-V617 HydrophobicContact CD2-CB 4.21Å; L555-V617 HydrophobicContact CD2-CG2 4.26Å; Y561-V617 HydrophobicContact CD1-CG2 3.98Å; Y561-V617 HydrophobicContact CD2-CG2 4.36Å; Y561-V617 HydrophobicContact CG-CG2 3.76Å; V612-V617 HydrophobicContact CG2-CG2 3.78Å; Y614-V617 PolarHBondContact O-N 2.79Å; Y614-V617 VanDerWaalsContact O-N 3.08Å; V617-F632 HydrophobicContact CG1-CB 3.86Å; V617-F632 HydrophobicContact CG1-CD1 4.46Å; V617-F632 HydrophobicContact CG1-CG 4.16Å; V617-I634 HydrophobicContact CB-CD1 4.49Å; V617-I634 HydrophobicContact CG1-CD1 4.26Å; V617-I634 HydrophobicContact CG2-CD1 4.15Å |
| 618 | T | 84.8 | Confident | 83.1 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.9 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | M633 R635 | T618-M633 PolarHBondContact N-O 2.68Å; T618-M633 PolarHBondContact O-N 2.99Å; T618-M633 PolarHBondContact OG1-O 3.13Å; T618-R635 HydrophobicContact CG2-CG 4.27Å; T618-R635 PolarHBondContact OG1-NE 2.86Å |
| 619 | K | 79.3 | Confident | 82.5 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -84 | -12.7 | 170.1 | -169.1 | 166.8 | -171.5 | -168.9 | 0 | 112.9 | E548 A621 L627 | E548-K619 IonicContact OE1-NZ 3.98Å; E548-K619 PolarHBondContact OE1-NZ 3.08Å; E548-K619 IonicContact OE2-NZ 3.82Å; E548-K619 PolarHBondContact OE2-NZ 2.85Å; K619-A621 PolarHBondContact O-N 2.82Å; K619-L627 WeakPolarHBondContact O-CD1 3.26Å |
| 620 | S | 78.1 | Confident | 81.6 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 58% | 0.58 | 39% | 0.391 | S | S | * | . | trans | -80.9 | 109.2 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | R635 | S620-R635 PolarHBondContact O-NH2 2.95Š| ||
| 621 | A | 75.1 | Confident | 81 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | trans | -60.1 | 163 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K619 E625 L627 | K619-A621 PolarHBondContact O-N 2.82Å; A621-E625 HydrophobicContact CB-CB 4.3Å; A621-E625 VanDerWaalsContact CB-O 3.31Å; A621-E625 WeakPolarHBondContact CB-O 3.47Å; A621-L627 HydrophobicContact CB-CD1 4.04Å; A621-L627 HydrophobicContact CB-CG 3.94Å | ||
| 622 | P | 74.7 | Confident | 80.6 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -57.4 | 154.3 | 163.6 | -21.7 | 34.5 | 0 | 0 | 0 | 112.1 | G624 E625 M633 | P622-G624 PolarHBondContact O-N 2.81Å; P622-E625 PolarHBondContact O-N 2.88Å; P622-E625 VanDerWaalsContact O-N 3.11Å; P622-M633 HydrophobicContact CG-SD 4.14Å |
| 623 | T | 63.1 | Low | 80.2 | Confident | 159 Ų | 159 | 75.3 Ų | 75.3 | 98% | 0.975 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 102.8 | -171.9 | -40.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 624 | G | 68.8 | Low | 80.1 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 74% | 0.742 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.3 | -12.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | P622 | P622-G624 PolarHBondContact O-N 2.81Š|
| 625 | E | 76.3 | Confident | 80 | Confident | 130 Ų | 130 | 74 Ų | 74 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | trans | -99.6 | 156 | 178.2 | -64.9 | -175.4 | 162.2 | 0 | 0 | 112.5 | A621 P622 | A621-E625 HydrophobicContact CB-CB 4.3Å; A621-E625 VanDerWaalsContact CB-O 3.31Å; A621-E625 WeakPolarHBondContact CB-O 3.47Å; P622-E625 PolarHBondContact O-N 2.88Å; P622-E625 VanDerWaalsContact O-N 3.11Å | ||
| 626 | Y | 72.8 | Confident | 79.8 | Confident | 225 Ų | 225 | 71.8 Ų | 71.8 | 88% | 0.882 | 42% | 0.415 | S | S | * | . | trans | -119.3 | 117.8 | 174.5 | -67.6 | -87.2 | 0 | 0 | 0 | 110.3 | ||||
| 627 | L | 78.1 | Confident | 79.8 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 30% | 0.298 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -73 | 138.3 | 170.5 | -74.7 | 164.4 | 0 | 0 | 0 | 110.6 | K619 A621 M633 | K619-L627 WeakPolarHBondContact O-CD1 3.26Å; A621-L627 HydrophobicContact CB-CD1 4.04Å; A621-L627 HydrophobicContact CB-CG 3.94Å; L627-M633 HydrophobicContact CD1-CB 4.02Å |
| 628 | T | 79.1 | Confident | 80 | Confident | 103 Ų | 103 | 80.6 Ų | 80.6 | 63% | 0.632 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 152.2 | 171.9 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | G630 S631 | T628-G630 PolarHBondContact O-N 2.94Å; T628-S631 PolarHBondContact N-OG 2.73Å; T628-S631 WeakPolarHBondContact O-CB 3.39Å; T628-S631 PolarHBondContact O-N 2.86Å; T628-S631 PolarHBondContact O-OG 3.43Å; T628-S631 PolarHBondContact OG1-OG 3.32Å |
| 629 | T | 77.7 | Confident | 80.4 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.6 | 176.7 | 37 | 0 | 0 | 0 | 0 | 111.4 | Q544 E548 S631 | Q544-T629 WeakPolarHBondContact CB-O 3.34Å; Q544-T629 PolarHBondContact NE2-OG1 3.14Å; Q544-T629 PolarHBondContact OE1-O 2.76Å; Q544-T629 PolarHBondContact OE1-OG1 3.38Å; E548-T629 WeakPolarHBondContact OE1-CA 3.34Å; T629-S631 VanDerWaalsContact C-N 3.29Å; T629-S631 PolarHBondContact O-N 2.87Å |
| 630 | G | 73.3 | Confident | 81 | Confident | 10 Ų | 10 | 83.1 Ų | 83.1 | 10% | 0.103 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 5.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q544 E548 T628 F632 | Q544-G630 WeakPolarHBondContact O-CA 3.44Å; E548-G630 PolarHBondContact OE1-N 2.96Å; E548-G630 VanDerWaalsContact OE1-N 3.14Å; T628-G630 PolarHBondContact O-N 2.94Å; G630-F632 VanDerWaalsContact O-CE2 3.31Å; G630-F632 WeakPolarHBondContact O-CE2 3.37Å |
| 631 | S | 82 | Confident | 81.6 | Confident | 32 Ų | 32 | 80 Ų | 80 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | trans | -102.4 | 155.6 | 167.8 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | T628 T629 | T628-S631 PolarHBondContact N-OG 2.73Å; T628-S631 WeakPolarHBondContact O-CB 3.39Å; T628-S631 PolarHBondContact O-N 2.86Å; T628-S631 PolarHBondContact O-OG 3.43Å; T628-S631 PolarHBondContact OG1-OG 3.32Å; T629-S631 VanDerWaalsContact C-N 3.29Å; T629-S631 PolarHBondContact O-N 2.87Å | ||
| 632 | F | 86.9 | Confident | 82.2 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 11% | 0.105 | 45% | 0.452 | C | S | . | . | trans | -139.8 | 139.3 | -174.2 | -50.5 | -80.3 | 0 | 0 | 0 | 111 | N547 E548 V551 Y561 V617 G630 | N547-F632 HydrophobicContact CB-CE2 4.3Å; N547-F632 HydrophobicContact CB-CZ 4.48Å; E548-F632 HydrophobicContact CG-CZ 4.35Å; V551-F632 HydrophobicContact CB-CD1 4.24Å; V551-F632 HydrophobicContact CB-CE1 3.61Å; V551-F632 HydrophobicContact CB-CE2 4.22Å; V551-F632 HydrophobicContact CB-CZ 3.61Å; V551-F632 HydrophobicContact CG1-CD1 3.76Å; V551-F632 HydrophobicContact CG1-CE1 3.61Å; V551-F632 HydrophobicContact CG1-CG 4.32Å; V551-F632 HydrophobicContact CG1-CZ 4.08Å; V551-F632 HydrophobicContact CG2-CD1 4.48Å; V551-F632 HydrophobicContact CG2-CD2 4.16Å; V551-F632 HydrophobicContact CG2-CE1 3.99Å; V551-F632 HydrophobicContact CG2-CE2 3.64Å; V551-F632 HydrophobicContact CG2-CZ 3.54Å; Y561-F632 HydrophobicContact CE2-CD2 4.47Å; V617-F632 HydrophobicContact CG1-CB 3.86Å; V617-F632 HydrophobicContact CG1-CD1 4.46Å; V617-F632 HydrophobicContact CG1-CG 4.16Å; G630-F632 VanDerWaalsContact O-CE2 3.31Å; G630-F632 WeakPolarHBondContact O-CE2 3.37Å | ||
| 633 | M | 85.4 | Confident | 82.8 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 32% | 0.32 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.2 | 174 | -176.2 | 77.3 | -93.8 | 0 | 0 | 109.9 | T618 P622 L627 | T618-M633 PolarHBondContact N-O 2.68Å; T618-M633 PolarHBondContact O-N 2.99Å; T618-M633 PolarHBondContact OG1-O 3.13Å; P622-M633 HydrophobicContact CG-SD 4.14Å; L627-M633 HydrophobicContact CD1-CB 4.02Å |
| 634 | I | 89.6 | Confident | 83.8 | Confident | 25 Ų | 25 | 77 Ų | 77 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.7 | 177 | -50.8 | -54.4 | 0 | 0 | 0 | 109.6 | Y561 W610 V612 Q616 V617 K638 | Y561-I634 HydrophobicContact CD1-CD1 4.47Å; Y561-I634 HydrophobicContact CE1-CD1 4.26Å; W610-I634 HydrophobicContact CH2-CD1 3.82Å; W610-I634 HydrophobicContact CH2-CG1 3.49Å; W610-I634 VanDerWaalsContact CH2-CG1 3.49Å; W610-I634 HydrophobicContact CZ2-CG1 4.42Å; W610-I634 HydrophobicContact CZ3-CD1 4.01Å; W610-I634 HydrophobicContact CZ3-CG1 3.85Å; V612-I634 HydrophobicContact CB-CG2 4.41Å; V612-I634 HydrophobicContact CG1-CG2 3.71Å; V612-I634 HydrophobicContact CG2-CD1 4.28Å; V612-I634 HydrophobicContact CG2-CG2 4.15Å; Q616-I634 CarbonylContact O-C 3.53Å; Q616-I634 WeakPolarHBondContact O-CA 3.43Å; V617-I634 HydrophobicContact CB-CD1 4.49Å; V617-I634 HydrophobicContact CG1-CD1 4.26Å; V617-I634 HydrophobicContact CG2-CD1 4.15Å; I634-K638 HydrophobicContact CG2-CG 4.35Å |
| 635 | R | 86.3 | Confident | 84.7 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 48% | 0.475 | 41% | 0.411 | S | S | . | . | trans | -110.3 | 137.5 | -179.7 | -57.2 | -174.5 | -176.5 | -149.1 | -6 | 110.5 | Q616 T618 S620 | Q616-R635 WeakPolarHBondContact CB-O 3.33Å; Q616-R635 WeakPolarHBondContact CG-O 2.99Å; Q616-R635 PolarHBondContact NE2-O 3.2Å; Q616-R635 PolarHBondContact O-N 3.44Å; T618-R635 HydrophobicContact CG2-CG 4.27Å; T618-R635 PolarHBondContact OG1-NE 2.86Å; S620-R635 PolarHBondContact O-NH2 2.95Å | ||
| 636 | G | 86.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 75% | 0.753 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 79.5 | -160.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 637 | K | 89.7 | Confident | 86.3 | Confident | 163 Ų | 163 | 67 Ų | 67 | 71% | 0.709 | 35% | 0.354 | S | S | * | . | trans | -76.1 | 135.6 | -173.5 | -172.2 | 177.1 | 177.4 | -175.8 | 0 | 111.8 | Q616 | Q616-K637 PolarHBondContact NE2-O 3.16Š| ||
| 638 | K | 92.8 | Very high | 87 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | trans | -84.8 | 137.4 | 164.2 | -74.1 | 177.5 | 169.9 | -178.4 | 0 | 110 | D565 W610 I634 Y640 | D565-K638 IonicContact OD1-NZ 3.45Å; D565-K638 PolarHBondContact OD1-NZ 3.49Å; D565-K638 IonicContact OD2-NZ 3.89Å; D565-K638 PolarHBondContact OD2-NZ 3.48Å; W610-K638 HydrophobicContact CB-CB 4.33Å; W610-K638 HydrophobicContact CD2-CD 3.8Å; W610-K638 HydrophobicContact CD2-CG 4.05Å; W610-K638 VanDerWaalsContact CE2-CE 3.41Å; W610-K638 HydrophobicContact CE3-CD 4.29Å; W610-K638 HydrophobicContact CE3-CG 4.05Å; W610-K638 HydrophobicContact CG-CB 4.42Å; W610-K638 HydrophobicContact CG-CD 3.93Å; W610-K638 HydrophobicContact CG-CG 4.35Å; W610-K638 HydrophobicContact CZ2-CD 4.47Å; I634-K638 HydrophobicContact CG2-CG 4.35Å; K638-Y640 HydrophobicContact CB-CD2 4.16Å; K638-Y640 HydrophobicContact CB-CE2 3.71Å; K638-Y640 HydrophobicContact CD-CE2 3.89Å; K638-Y640 VanDerWaalsContact CD-OH 3.26Å; K638-Y640 WeakPolarHBondContact CD-OH 3.31Å; K638-Y640 PolarHBondContact NZ-OH 3.25Å | ||
| 639 | N | 92.6 | Very high | 87.6 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 101.4 | 173.4 | -63.7 | -29.3 | 0 | 0 | 0 | 109.5 | W610 W611 | W610-N639 CarbonylContact C-O 3.56Å; W610-N639 WeakPolarHBondContact CA-O 3.39Å; W610-N639 WeakPolarHBondContact CB-O 3.41Å; W611-N639 HydrophobicContact CD2-CB 3.88Å; W611-N639 HydrophobicContact CG-CB 4.17Å; W611-N639 WeakPolarHBondContact CH2-ND2 3.33Å; W611-N639 HydrophobicContact CZ2-CB 3.93Å; W611-N639 VanDerWaalsContact CZ2-ND2 3.29Å; W611-N639 WeakPolarHBondContact CZ2-ND2 3.36Å; W611-N639 WeakPolarHBondContact CZ3-ND2 3.41Å; W611-N639 PolarHBondContact N-O 2.96Å; W611-N639 PolarHBondContact O-N 2.84Å |
| 640 | Y | 92.1 | Very high | 88.4 | Confident | 129 Ų | 129 | 55.9 Ų | 55.9 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 140.9 | 179 | -74 | -92.2 | 0 | 0 | 0 | 111.6 | D565 W610 K638 | D565-Y640 PolarHBondContact OD2-OH 3.2Å; W610-Y640 HydrophobicContact CB-CD1 3.87Å; W610-Y640 HydrophobicContact CB-CD2 4.43Å; W610-Y640 HydrophobicContact CB-CE1 4.06Å; W610-Y640 HydrophobicContact CB-CG 4.06Å; W610-Y640 AromaticContact CD1-CE1 3.5Å; W610-Y640 VanDerWaalsContact CD1-CE1 3.5Å; W610-Y640 AromaticContact CD1-CZ 3.89Å; W610-Y640 HydrophobicContact CG-CD1 4.39Å; W610-Y640 HydrophobicContact CG-CE1 4.1Å; K638-Y640 HydrophobicContact CB-CD2 4.16Å; K638-Y640 HydrophobicContact CB-CE2 3.71Å; K638-Y640 HydrophobicContact CD-CE2 3.89Å; K638-Y640 VanDerWaalsContact CD-OH 3.26Å; K638-Y640 WeakPolarHBondContact CD-OH 3.31Å; K638-Y640 PolarHBondContact NZ-OH 3.25Å |
| 641 | M | 90.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -102 | 165.8 | 177.6 | -66.8 | 179.1 | -77.3 | 0 | 0 | 111.2 | V562 L587 T588 S608 A609 | V562-M641 HydrophobicContact CG1-CE 3.67Å; L587-M641 VanDerWaalsContact C-SD 3.56Å; L587-M641 HydrophobicContact CB-SD 3.96Å; L587-M641 VanDerWaalsContact O-SD 3.34Å; T588-M641 HydrophobicContact CG2-CB 4.48Å; T588-M641 HydrophobicContact CG2-SD 4.27Å; S608-M641 WeakPolarHBondContact CB-O 3.5Å; A609-M641 HydrophobicContact CB-CE 3.74Å; A609-M641 PolarHBondContact O-N 2.91Å |
| 642 | P | 88.8 | Confident | 89.7 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 148.3 | 172.5 | -26.4 | 36 | 0 | 0 | 0 | 112.9 | S644 | P642-S644 PolarHBondContact O-N 2.91Å; P642-S644 PolarHBondContact O-OG 3.32Å |
| 643 | P | 87.8 | Confident | 89.9 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 127.1 | 175.6 | -23.8 | 34.2 | 0 | 0 | 0 | 111.7 | I606 T607 | I606-P643 HydrophobicContact CG2-CB 3.86Å; T607-P643 WeakPolarHBondContact O-CA 3.47Å |
| 644 | S | 83.6 | Confident | 90.1 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -101.2 | 130.6 | -170.5 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | T607 P642 | T607-S644 PolarHBondContact O-N 3.2Å; P642-S644 PolarHBondContact O-N 2.91Å; P642-S644 PolarHBondContact O-OG 3.32Å |
| 645 | Y | 87.4 | Confident | 90.1 | Very high | 161 Ų | 161 | 49.4 Ų | 49.4 | 63% | 0.631 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -65.6 | 146 | 175.9 | -64 | -78.7 | 0 | 0 | 0 | 111.7 | I606 M647 | I606-Y645 HydrophobicContact CD1-CD1 3.78Å; I606-Y645 HydrophobicContact CD1-CE1 4.13Å; Y645-M647 HydrophobicContact CD2-CE 4.47Å; Y645-M647 HydrophobicContact CG-CE 4.33Å; Y645-M647 PolarHBondContact O-N 3.25Å |
| 646 | L | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -77.8 | 60.7 | 179.3 | -61.1 | 173.2 | 0 | 0 | 0 | 111.8 | V595 A600 W601 P1013 | V595-L646 HydrophobicContact CG1-CD2 3.74Å; A600-L646 WeakPolarHBondContact O-CD1 3.29Å; W601-L646 HydrophobicContact CE3-CB 4.47Å; W601-L646 HydrophobicContact CZ3-CB 4.44Å; L646-P1013 HydrophobicContact CB-CG 3.84Å; L646-P1013 HydrophobicContact CD1-CG 3.93Å; L646-P1013 WeakPolarHBondContact O-CD 3.38Å |
| 647 | M | 91.6 | Very high | 90.2 | Very high | 43 Ų | 43 | 42 Ų | 42 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | trans | -120.7 | 95.3 | -176 | -66.5 | -160.7 | -69.2 | 0 | 0 | 111.7 | Y645 L687 Y999 T1012 | Y645-M647 HydrophobicContact CD2-CE 4.47Å; Y645-M647 HydrophobicContact CG-CE 4.33Å; Y645-M647 PolarHBondContact O-N 3.25Å; M647-L687 HydrophobicContact CE-CD2 4.3Å; M647-Y999 PolarHBondContact O-N 2.85Å; M647-T1012 HydrophobicContact CG-CG2 4.35Å | ||
| 648 | M | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 168.9 | 166.3 | -65.2 | -66.2 | -72.7 | 0 | 0 | 109.5 | M593 C596 Y597 W601 A997 L1011 P1056 | M593-M648 HydrophobicContact CE-CE 3.95Å; C596-M648 HydrophobicContact CB-CG 3.65Å; C596-M648 HydrophobicContact CB-SD 3.76Å; Y597-M648 HydrophobicContact CE2-CE 3.94Å; W601-M648 HydrophobicContact CH2-CB 4.48Å; W601-M648 HydrophobicContact CH2-CG 4.44Å; W601-M648 HydrophobicContact CZ3-CB 4.44Å; W601-M648 HydrophobicContact CZ3-CG 3.94Å; M648-A997 CarbonylContact C-O 3.55Å; M648-A997 WeakPolarHBondContact CA-O 3.48Å; M648-A997 WeakPolarHBondContact CE-O 3.46Å; M648-L1011 HydrophobicContact CB-CB 4.18Å; M648-L1011 PolarHBondContact N-O 2.62Å; M648-L1011 VanDerWaalsContact N-O 3.1Å; M648-L1011 WeakPolarHBondContact O-CA 3.2Å; M648-L1011 WeakPolarHBondContact O-CB 3.39Å; M648-L1011 PolarHBondContact O-N 2.98Å; M648-L1011 VanDerWaalsContact O-O 3.1Å; M648-P1056 HydrophobicContact CG-CG 4.15Å |
| 649 | G | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 164.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C996 A997 L1002 V1009 | G649-C996 VanDerWaalsContact O-CA 3.3Å; G649-C996 WeakPolarHBondContact O-CA 3.45Å; G649-C996 PolarHBondContact O-SG 3.09Å; G649-C996 VanDerWaalsContact O-SG 3.4Å; G649-A997 PolarHBondContact N-O 2.83Å; G649-A997 PolarHBondContact O-N 3.15Å; G649-L1002 VanDerWaalsContact C-CD1 3.41Å; G649-L1002 WeakPolarHBondContact O-CD1 3.37Å; G649-V1009 CarbonylContact C-O 3.51Å; G649-V1009 WeakPolarHBondContact CA-O 3.23Å |
| 650 | F | 93.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137 | 175.3 | 175.9 | -92.9 | 0 | 0 | 0 | 110 | F652 P994 V995 C996 V1009 L1011 A1025 V1026 F1029 L1051 I1055 | F650-F652 HydrophobicContact CE1-CE2 4.07Å; F650-F652 HydrophobicContact CE1-CZ 4.46Å; F650-F652 HydrophobicContact CZ-CE2 4.39Å; F650-F652 HydrophobicContact CZ-CZ 4.38Å; F650-P994 HydrophobicContact CE2-CB 4.1Å; F650-P994 HydrophobicContact CZ-CB 4.15Å; F650-V995 WeakPolarHBondContact CA-O 3.45Å; F650-V995 WeakPolarHBondContact CD2-O 3.46Å; F650-C996 HydrophobicContact CD2-CB 4.41Å; F650-V1009 HydrophobicContact CB-CG2 3.86Å; F650-V1009 HydrophobicContact CD1-CG2 4.44Å; F650-V1009 PolarHBondContact N-O 3.03Å; F650-V1009 PolarHBondContact O-N 3.42Å; F650-L1011 HydrophobicContact CB-CD1 3.84Å; F650-L1011 HydrophobicContact CB-CG 4.29Å; F650-A1025 HydrophobicContact CD1-CB 3.65Å; F650-A1025 HydrophobicContact CE1-CB 4.03Å; F650-V1026 HydrophobicContact CE1-CG2 4.33Å; F650-F1029 HydrophobicContact CD1-CE2 4.11Å; F650-F1029 HydrophobicContact CD1-CZ 4.49Å; F650-F1029 HydrophobicContact CE1-CE2 4.17Å; F650-L1051 VanDerWaalsContact CE2-O 3.29Å; F650-L1051 WeakPolarHBondContact CE2-O 3.49Å; F650-L1051 HydrophobicContact CZ-CD2 4.18Å; F650-I1055 HydrophobicContact CD2-CD1 3.79Å; F650-I1055 HydrophobicContact CD2-CG1 3.89Å; F650-I1055 HydrophobicContact CE2-CD1 4.09Å; F650-I1055 HydrophobicContact CE2-CG1 4.34Å; F650-I1055 HydrophobicContact CG-CD1 4.27Å |
| 651 | S | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | -172.9 | -172.8 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | V995 Y1005 H1007 | S651-V995 PolarHBondContact N-O 3.1Å; S651-V995 PolarHBondContact O-N 2.67Å; S651-Y1005 VanDerWaalsContact OG-CD2 3.31Å; S651-Y1005 WeakPolarHBondContact OG-CD2 3.36Å; S651-H1007 WeakPolarHBondContact CA-O 3.42Å; S651-H1007 VanDerWaalsContact CB-O 3.28Å; S651-H1007 WeakPolarHBondContact CB-O 3.12Å; S651-H1007 PolarHBondContact OG-O 3.04Å |
| 652 | F | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.4 | 171 | -69.9 | -95.2 | 0 | 0 | 0 | 110.2 | F650 F654 A992 V993 P994 V1026 F1029 F1043 V1046 L1051 | F650-F652 HydrophobicContact CE1-CE2 4.07Å; F650-F652 HydrophobicContact CE1-CZ 4.46Å; F650-F652 HydrophobicContact CZ-CE2 4.39Å; F650-F652 HydrophobicContact CZ-CZ 4.38Å; F652-F654 HydrophobicContact CB-CE2 4.33Å; F652-F654 HydrophobicContact CB-CZ 4.29Å; F652-A992 HydrophobicContact CB-CB 4.46Å; F652-A992 HydrophobicContact CD1-CB 4Å; F652-V993 VanDerWaalsContact CA-O 3.32Å; F652-V993 WeakPolarHBondContact CA-O 3.35Å; F652-P994 HydrophobicContact CD1-CB 4.21Å; F652-P994 HydrophobicContact CE1-CB 3.94Å; F652-V1026 HydrophobicContact CE2-CG2 3.96Å; F652-V1026 HydrophobicContact CZ-CG2 3.84Å; F652-F1029 HydrophobicContact CD2-CD2 4.08Å; F652-F1029 HydrophobicContact CD2-CE2 4.02Å; F652-F1029 AromaticContact CE2-CD2 3.86Å; F652-F1029 HydrophobicContact CE2-CD2 3.86Å; F652-F1029 AromaticContact CE2-CE2 3.94Å; F652-F1029 HydrophobicContact CE2-CE2 3.94Å; F652-F1043 HydrophobicContact CB-CE1 4.12Å; F652-F1043 HydrophobicContact CD1-CD1 4.19Å; F652-F1043 AromaticContact CD2-CD1 3.53Å; F652-F1043 HydrophobicContact CD2-CD1 3.53Å; F652-F1043 AromaticContact CD2-CE1 3.44Å; F652-F1043 HydrophobicContact CD2-CE1 3.44Å; F652-F1043 VanDerWaalsContact CD2-CE1 3.44Å; F652-F1043 HydrophobicContact CE1-CD1 4.19Å; F652-F1043 AromaticContact CE2-CD1 3.55Å; F652-F1043 HydrophobicContact CE2-CD1 3.55Å; F652-F1043 AromaticContact CE2-CE1 3.91Å; F652-F1043 HydrophobicContact CE2-CE1 3.91Å; F652-F1043 HydrophobicContact CE2-CG 4.38Å; F652-F1043 AromaticContact CG-CD1 3.86Å; F652-F1043 HydrophobicContact CG-CD1 3.86Å; F652-F1043 AromaticContact CG-CE1 3.79Å; F652-F1043 HydrophobicContact CG-CE1 3.79Å; F652-F1043 AromaticContact CZ-CD1 3.88Å; F652-F1043 HydrophobicContact CZ-CD1 3.88Å; F652-V1046 HydrophobicContact CE1-CB 4.39Å; F652-V1046 HydrophobicContact CE1-CG2 4.08Å; F652-L1051 HydrophobicContact CE1-CD2 3.81Å; F652-L1051 HydrophobicContact CZ-CD2 3.52Å |
| 653 | L | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 142.3 | 158.1 | -81.9 | 171.4 | 0 | 0 | 0 | 109.1 | W529 I531 L979 T980 A992 V993 V995 Y1005 | W529-L653 HydrophobicContact CH2-CD1 3.99Å; W529-L653 HydrophobicContact CZ3-CD1 3.99Å; I531-L653 HydrophobicContact CD1-CD1 3.59Å; I531-L653 HydrophobicContact CG1-CD1 4.18Å; L653-L979 HydrophobicContact CB-CB 4.43Å; L653-L979 HydrophobicContact CD1-CB 4.22Å; L653-L979 HydrophobicContact CD1-CD1 4.38Å; L653-L979 HydrophobicContact CD2-CB 4.25Å; L653-T980 WeakPolarHBondContact CA-O 3.44Å; L653-T980 VanDerWaalsContact CD2-C 3.49Å; L653-T980 WeakPolarHBondContact CD2-O 3.29Å; L653-A992 CarbonylContact O-C 3.57Å; L653-A992 WeakPolarHBondContact O-CA 3.13Å; L653-V993 PolarHBondContact N-O 3.29Å; L653-V993 PolarHBondContact O-N 3.29Å; L653-V995 HydrophobicContact CB-CG2 4.17Å; L653-V995 HydrophobicContact CD1-CG2 3.86Å; L653-V995 HydrophobicContact CG-CG2 3.89Å; L653-Y1005 HydrophobicContact CD2-CE2 3.59Å; L653-Y1005 WeakPolarHBondContact CD2-OH 3.39Å; L653-Y1005 HydrophobicContact CG-CE2 3.9Å |
| 654 | F | 90.6 | Very high | 87 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.2 | 175.5 | -58.6 | -90.7 | 0 | 0 | 0 | 109.8 | F652 V656 L979 T980 P983 L989 A992 E1039 L1042 F1043 | F652-F654 HydrophobicContact CB-CE2 4.33Å; F652-F654 HydrophobicContact CB-CZ 4.29Å; F654-V656 PolarHBondContact O-N 3.22Å; F654-L979 WeakPolarHBondContact O-CA 3.3Å; F654-T980 HydrophobicContact CB-CG2 4.12Å; F654-T980 PolarHBondContact N-O 2.86Å; F654-T980 PolarHBondContact O-N 2.93Å; F654-P983 HydrophobicContact CD2-CB 4.29Å; F654-P983 HydrophobicContact CD2-CG 3.74Å; F654-P983 HydrophobicContact CE2-CG 3.77Å; F654-P983 HydrophobicContact CG-CB 4.48Å; F654-P983 HydrophobicContact CG-CG 4.31Å; F654-P983 HydrophobicContact CZ-CG 4.37Å; F654-L989 HydrophobicContact CB-CD2 4.23Å; F654-L989 HydrophobicContact CD1-CD1 3.89Å; F654-L989 HydrophobicContact CE1-CD1 4.35Å; F654-L989 HydrophobicContact CG-CD1 4.31Å; F654-A992 HydrophobicContact CD1-CB 3.88Å; F654-A992 HydrophobicContact CE1-CB 4.02Å; F654-E1039 HydrophobicContact CE1-CB 4.3Å; F654-E1039 HydrophobicContact CE1-CG 4.08Å; F654-E1039 HydrophobicContact CZ-CB 4.46Å; F654-E1039 HydrophobicContact CZ-CG 4.16Å; F654-L1042 HydrophobicContact CD1-CD1 3.74Å; F654-L1042 HydrophobicContact CE1-CD1 4.14Å; F654-F1043 HydrophobicContact CE1-CE1 4.02Å; F654-F1043 HydrophobicContact CE1-CZ 4.48Å; F654-F1043 AromaticContact CZ-CE1 3.62Å; F654-F1043 HydrophobicContact CZ-CE1 3.62Å; F654-F1043 AromaticContact CZ-CZ 3.89Å; F654-F1043 HydrophobicContact CZ-CZ 3.89Å |
| 655 | K | 88.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 9% | 0.087 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 111.5 | 166.8 | 176.6 | 61.9 | 173.5 | 76.9 | 0 | 108 | S978 L979 L990 F991 | K655-S978 WeakPolarHBondContact CD-O 3.38Å; K655-S978 VanDerWaalsContact CD-OG 3.32Å; K655-S978 WeakPolarHBondContact CD-OG 3.22Å; K655-S978 VanDerWaalsContact CE-OG 3.23Å; K655-S978 WeakPolarHBondContact CE-OG 3.49Å; K655-L979 HydrophobicContact CB-CD2 3.96Å; K655-L979 HydrophobicContact CD-CD2 4.26Å; K655-L990 HydrophobicContact CG-CB 4.35Å; K655-L990 HydrophobicContact CG-CD1 4.19Å; K655-L990 PolarHBondContact O-N 3.4Å; K655-F991 HydrophobicContact CB-CD1 4.1Å; K655-F991 HydrophobicContact CB-CD2 4.19Å; K655-F991 HydrophobicContact CB-CE1 3.87Å; K655-F991 HydrophobicContact CB-CE2 3.96Å; K655-F991 HydrophobicContact CB-CG 4.26Å; K655-F991 HydrophobicContact CB-CZ 3.8Å; K655-F991 HydrophobicContact CG-CD1 4.33Å; K655-F991 HydrophobicContact CG-CE1 3.81Å; K655-F991 HydrophobicContact CG-CZ 3.98Å; K655-F991 PolarHBondContact N-O 2.99Å |
| 656 | V | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 156.8 | 169.2 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | F654 C660 V661 S978 T980 D987 L989 | F654-V656 PolarHBondContact O-N 3.22Å; V656-C660 HydrophobicContact CB-CB 4Å; V656-C660 HydrophobicContact CG2-CB 4.24Å; V656-V661 HydrophobicContact CG2-CG2 3.84Å; V656-S978 PolarHBondContact N-O 3Å; V656-T980 HydrophobicContact CG1-CG2 3.7Å; V656-D987 HydrophobicContact CG1-CB 4.23Å; V656-L989 HydrophobicContact CG1-CD2 3.97Å |
| 657 | D | 85.9 | Confident | 84.8 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | trans | -62.4 | 155.1 | 167.6 | -171.8 | 66.3 | 0 | 0 | 0 | 111.9 | Q659 C660 V661 V988 L990 | D657-Q659 PolarHBondContact O-N 3.4Å; D657-Q659 WeakPolarHBondContact OD2-CG 3.43Å; D657-Q659 PolarHBondContact OD2-N 3.46Å; D657-C660 PolarHBondContact O-N 3.38Å; D657-V661 PolarHBondContact O-N 3.26Å; D657-V988 HydrophobicContact CB-CB 3.88Å; D657-V988 HydrophobicContact CB-CG1 4.14Å; D657-V988 PolarHBondContact N-O 2.8Å; D657-L990 HydrophobicContact CB-CD2 4.37Å; D657-L990 HydrophobicContact CB-CG 4.44Å | ||
| 658 | E | 82.8 | Confident | 83.9 | Confident | 158 Ų | 158 | 44.3 Ų | 44.3 | 74% | 0.738 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -58.9 | -33.4 | -177.7 | -63.5 | -172.2 | 178.8 | 0 | 0 | 112.6 | C660 V661 | E658-C660 PolarHBondContact O-N 3.17Å; E658-V661 PolarHBondContact O-N 3.18Å |
| 659 | Q | 83.6 | Confident | 82.7 | Confident | 162 Ų | 162 | 51.5 Ų | 51.5 | 76% | 0.757 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -63.6 | -26.9 | 174.8 | -63 | -175.6 | -2.1 | 0 | 0 | 113.3 | D657 F662 | D657-Q659 PolarHBondContact O-N 3.4Å; D657-Q659 WeakPolarHBondContact OD2-CG 3.43Å; D657-Q659 PolarHBondContact OD2-N 3.46Å; Q659-F662 WeakPolarHBondContact O-CD1 3.49Å; Q659-F662 WeakPolarHBondContact O-CE1 3.45Å |
| 660 | C | 82.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -92.2 | -12.3 | -178.6 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | V656 D657 E658 F662 R663 D987 | V656-C660 HydrophobicContact CB-CB 4Å; V656-C660 HydrophobicContact CG2-CB 4.24Å; D657-C660 PolarHBondContact O-N 3.38Å; E658-C660 PolarHBondContact O-N 3.17Å; C660-F662 PolarHBondContact O-N 2.75Å; C660-F662 VanDerWaalsContact O-N 3.1Å; C660-R663 WeakPolarHBondContact O-CB 3.38Å; C660-R663 PolarHBondContact O-N 3.12Å; C660-R663 VanDerWaalsContact O-N 3.13Å; C660-D987 HydrophobicContact CB-CB 4.43Å |
| 661 | V | 80.7 | Confident | 79.8 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -58 | -30.2 | -171.8 | 172.9 | 0 | 0 | 0 | 0 | 113.1 | V656 D657 E658 R663 H664 R665 | V656-V661 HydrophobicContact CG2-CG2 3.84Å; D657-V661 PolarHBondContact O-N 3.26Å; E658-V661 PolarHBondContact O-N 3.18Å; V661-R663 PolarHBondContact O-N 3.19Å; V661-H664 PolarHBondContact O-N 2.95Å; V661-H664 VanDerWaalsContact O-N 3.14Å; V661-R665 PolarHBondContact O-N 3.24Å |
| 662 | F | 78.4 | Confident | 78.1 | Confident | 134 Ų | 134 | 62.2 Ų | 62.2 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -60 | -31.7 | -179.4 | 74.9 | -91.3 | 0 | 0 | 0 | 113.2 | Q659 C660 H664 R665 | Q659-F662 WeakPolarHBondContact O-CD1 3.49Å; Q659-F662 WeakPolarHBondContact O-CE1 3.45Å; C660-F662 PolarHBondContact O-N 2.75Å; C660-F662 VanDerWaalsContact O-N 3.1Å; F662-H664 VanDerWaalsContact C-N 3.26Å; F662-H664 PolarHBondContact O-N 3.35Å; F662-R665 PolarHBondContact O-N 3.43Å |
| 663 | R | 80 | Confident | 76.1 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 39% | 0.389 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -66.9 | -26.9 | 179.8 | -62.9 | 173.8 | 170.7 | -178.6 | -12.2 | 113.1 | C660 V661 E986 D987 | C660-R663 WeakPolarHBondContact O-CB 3.38Å; C660-R663 PolarHBondContact O-N 3.12Å; C660-R663 VanDerWaalsContact O-N 3.13Å; V661-R663 PolarHBondContact O-N 3.19Å; R663-E986 IonicContact CZ-OE2 2.7Å; R663-E986 VanDerWaalsContact NH1-CB 3.32Å; R663-E986 IonicContact NH1-OE2 3.53Å; R663-E986 PolarHBondContact NH1-OE2 3.11Å; R663-E986 IonicContact NH2-OE2 3.45Å; R663-E986 PolarHBondContact NH2-OE2 3.29Å; R663-D987 VanDerWaalsContact CD-OD1 3.31Å; R663-D987 WeakPolarHBondContact CD-OD1 3.47Å; R663-D987 IonicContact CZ-OD1 3.97Å; R663-D987 IonicContact NE-OD1 3.66Å; R663-D987 IonicContact NH1-OD1 3.02Å; R663-D987 PolarHBondContact NH1-OD1 3.49Å |
| 664 | H | 79.1 | Confident | 74.1 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -101.2 | 0.6 | -174.4 | -63.5 | -71.6 | 0 | 0 | 0 | 113.2 | V661 F662 G666 E667 T980 Q982 D987 | V661-H664 PolarHBondContact O-N 2.95Å; V661-H664 VanDerWaalsContact O-N 3.14Å; F662-H664 VanDerWaalsContact C-N 3.26Å; F662-H664 PolarHBondContact O-N 3.35Å; H664-G666 PolarHBondContact O-N 2.82Å; H664-E667 IonicContact ND1-OE2 2.77Å; H664-E667 PolarHBondContact O-N 3.17Å; H664-T980 PolarHBondContact CE1-OG1 2.9Å; H664-T980 WeakPolarHBondContact ND1-CB 3.46Å; H664-T980 PolarHBondContact ND1-OG1 2.84Å; H664-T980 VanDerWaalsContact ND1-OG1 3.09Å; H664-Q982 PolarHBondContact CE1-O 2.87Å; H664-D987 IonicContact CD2-OD2 2.79Å; H664-D987 IonicContact CE1-OD2 3.81Å; H664-D987 PolarHBondContact CE1-OD2 2.71Å; H664-D987 IonicContact NE2-OD2 3.8Å; H664-D987 PolarHBondContact NE2-OD2 2.64Å |
| 665 | R | 73.3 | Confident | 72.3 | Confident | 184 Ų | 184 | 80 Ų | 80 | 69% | 0.694 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 91.6 | 177.9 | -75.3 | -174.3 | 176.6 | -164.7 | 0.4 | 111.5 | V661 F662 | V661-R665 PolarHBondContact O-N 3.24Å; F662-R665 PolarHBondContact O-N 3.43Å |
| 666 | G | 67.9 | Low | 70.5 | Confident | 27 Ų | 27 | 81.2 Ų | 81.2 | 28% | 0.278 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.8 | 10.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | H664 R668 K669 | H664-G666 PolarHBondContact O-N 2.82Å; G666-R668 PolarHBondContact O-N 3.31Å; G666-K669 PolarHBondContact O-N 3.13Å |
| 667 | E | 73.8 | Confident | 68.5 | Low | 33 Ų | 33 | 87.1 Ų | 87.1 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -25.2 | 170.3 | -171.1 | -164.1 | 129.7 | 0 | 0 | 113 | H664 T980 G981 | H664-E667 IonicContact ND1-OE2 2.77Å; H664-E667 PolarHBondContact O-N 3.17Å; E667-T980 VanDerWaalsContact OE2-CA 3.28Å; E667-T980 WeakPolarHBondContact OE2-CA 3.46Å; E667-T980 VanDerWaalsContact OE2-CB 3.26Å; E667-T980 WeakPolarHBondContact OE2-CB 3.1Å; E667-T980 PolarHBondContact OE2-OG1 3.27Å; E667-G981 PolarHBondContact OE1-N 3.34Å |
| 668 | R | 72.4 | Confident | 66.7 | Low | 14 Ų | 14 | 87.9 Ų | 87.9 | 5% | 0.053 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | 43.7 | -173.7 | -59.4 | 179.8 | -152.6 | 104.2 | 18.5 | 112.7 | S533 E534 N535 G666 L979 | S533-R668 WeakPolarHBondContact O-CA 3.34Å; S533-R668 WeakPolarHBondContact O-CB 3.4Å; E534-R668 CarbonylContact C-O 3.59Å; E534-R668 VanDerWaalsContact CA-O 3.31Å; E534-R668 WeakPolarHBondContact CA-O 3.35Å; N535-R668 HydrophobicContact CB-CB 3.8Å; N535-R668 WeakPolarHBondContact CB-O 3.42Å; N535-R668 PolarHBondContact N-O 3.28Å; N535-R668 PolarHBondContact OD1-NH1 3.06Å; G666-R668 PolarHBondContact O-N 3.31Å; R668-L979 VanDerWaalsContact CZ-O 3.31Å; R668-L979 PolarHBondContact NH1-O 3.42Å; R668-L979 PolarHBondContact NH2-O 2.59Å |
| 669 | K | 69.1 | Low | 65.2 | Low | 151 Ų | 151 | 82.4 Ų | 82.4 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 154.5 | 171.1 | -78.7 | 171.4 | 176.9 | 174.3 | 0 | 110.9 | G666 K671 | G666-K669 PolarHBondContact O-N 3.13Å; K669-K671 PolarHBondContact O-N 3.24Å |
| 670 | V | 62.6 | Low | 63.7 | Low | 78 Ų | 78 | 78.5 Ų | 78.5 | 47% | 0.473 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 123.1 | 163.9 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | E534 P583 | E534-V670 HydrophobicContact CB-CG2 4.18Å; P583-V670 HydrophobicContact CG-CG1 3.93Å; P583-V670 HydrophobicContact CG-CG2 3.95Å |
| 671 | K | 62.2 | Low | 61.8 | Low | 63 Ų | 63 | 82.3 Ų | 82.3 | 27% | 0.274 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 158.2 | 176.7 | -73.5 | -166 | 163.8 | -171.2 | 0 | 111.2 | K669 E675 D679 | K669-K671 PolarHBondContact O-N 3.24Å; K671-E675 HydrophobicContact CB-CB 4.27Å; K671-E675 HydrophobicContact CD-CB 4.1Å; K671-E675 HydrophobicContact CG-CB 4.49Å; K671-E675 WeakPolarHBondContact CG-OE2 3.32Å; K671-D679 IonicContact NZ-OD1 3.45Å; K671-D679 PolarHBondContact NZ-OD1 3.03Å; K671-D679 IonicContact NZ-OD2 3.41Å; K671-D679 PolarHBondContact NZ-OD2 2.76Å |
| 672 | T | 56 | Low | 60.4 | Low | 85 Ų | 85 | 84.9 Ų | 84.9 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 157.4 | 166.7 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | D674 E675 D676 | T672-D674 PolarHBondContact O-N 3.4Å; T672-D674 VanDerWaalsContact O-N 3.14Å; T672-E675 WeakPolarHBondContact O-CB 3.01Å; T672-E675 PolarHBondContact O-N 3.01Å; T672-D676 PolarHBondContact O-N 3.06Å; T672-D676 VanDerWaalsContact O-N 3.1Å |
| 673 | I | 50.5 | Low | 58.8 | Low | 137 Ų | 137 | 80.8 Ų | 80.8 | 70% | 0.703 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.7 | -33 | -173.8 | -63.3 | 170.9 | 0 | 0 | 0 | 112 | D676 M677 | I673-D676 PolarHBondContact O-N 3.22Å; I673-M677 PolarHBondContact O-N 3.12Å; I673-M677 VanDerWaalsContact O-N 3.17Å |
| 674 | D | 46.8 | Very low | 57.2 | Low | 136 Ų | 136 | 79.2 Ų | 79.2 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.5 | -32.1 | 177.6 | -50.8 | -69.1 | 0 | 0 | 0 | 112.8 | T672 | T672-D674 PolarHBondContact O-N 3.4Å; T672-D674 VanDerWaalsContact O-N 3.14Å |
| 675 | E | 53.6 | Low | 55.6 | Low | 103 Ų | 103 | 81 Ų | 81 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -75.4 | -36.6 | 173.1 | -64 | -176.7 | 156.9 | 0 | 0 | 111.8 | K671 T672 M677 A678 D679 | K671-E675 HydrophobicContact CB-CB 4.27Å; K671-E675 HydrophobicContact CD-CB 4.1Å; K671-E675 HydrophobicContact CG-CB 4.49Å; K671-E675 WeakPolarHBondContact CG-OE2 3.32Å; T672-E675 WeakPolarHBondContact O-CB 3.01Å; T672-E675 PolarHBondContact O-N 3.01Å; E675-M677 VanDerWaalsContact C-N 3.3Å; E675-M677 PolarHBondContact O-N 2.91Å; E675-A678 PolarHBondContact O-N 3.16Å; E675-D679 PolarHBondContact O-N 2.9Å |
| 676 | D | 51.4 | Low | 54.4 | Low | 44 Ų | 44 | 77.4 Ų | 77.4 | 24% | 0.235 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64 | -33.5 | 176.2 | -84 | -37.7 | 0 | 0 | 0 | 111.7 | R585 T672 I673 A678 D679 V680 | R585-D676 IonicContact NH1-OD1 2.76Å; R585-D676 PolarHBondContact NH1-OD1 3.32Å; T672-D676 PolarHBondContact O-N 3.06Å; T672-D676 VanDerWaalsContact O-N 3.1Å; I673-D676 PolarHBondContact O-N 3.22Å; D676-A678 VanDerWaalsContact C-N 3.28Å; D676-A678 PolarHBondContact O-N 3.44Å; D676-D679 PolarHBondContact O-N 3.18Å; D676-V680 VanDerWaalsContact O-CB 3.27Å; D676-V680 WeakPolarHBondContact O-CB 3.18Å; D676-V680 WeakPolarHBondContact O-CG2 3.21Å; D676-V680 PolarHBondContact O-N 3.46Å |
| 677 | M | 45.6 | Very low | 53.4 | Low | 124 Ų | 124 | 80.1 Ų | 80.1 | 61% | 0.611 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.7 | -33 | 174.9 | -82.1 | -70.1 | -69.3 | 0 | 0 | 113.3 | I673 E675 T681 | I673-M677 PolarHBondContact O-N 3.12Å; I673-M677 VanDerWaalsContact O-N 3.17Å; E675-M677 VanDerWaalsContact C-N 3.3Å; E675-M677 PolarHBondContact O-N 2.91Å; M677-T681 WeakPolarHBondContact O-CG2 3.27Å; M677-T681 PolarHBondContact O-N 3.47Å; M677-T681 PolarHBondContact O-OG1 3.27Å |
| 678 | A | 48.6 | Very low | 52 | Low | 61 Ų | 61 | 84.4 Ų | 84.4 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.3 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E675 D676 T681 S682 | E675-A678 PolarHBondContact O-N 3.16Å; D676-A678 VanDerWaalsContact C-N 3.28Å; D676-A678 PolarHBondContact O-N 3.44Å; A678-T681 PolarHBondContact O-OG1 2.85Å; A678-T681 VanDerWaalsContact O-OG1 3.12Å; A678-S682 WeakPolarHBondContact O-CB 3.48Å; A678-S682 PolarHBondContact O-N 3.1Å |
| 679 | D | 51.5 | Low | 50.6 | Low | 43 Ų | 43 | 92.4 Ų | 92.4 | 23% | 0.23 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175.3 | -98.4 | 25.3 | 0 | 0 | 0 | 111.9 | R585 K671 E675 D676 S683 | R585-D679 IonicContact NH1-OD2 3.83Å; K671-D679 IonicContact NZ-OD1 3.45Å; K671-D679 PolarHBondContact NZ-OD1 3.03Å; K671-D679 IonicContact NZ-OD2 3.41Å; K671-D679 PolarHBondContact NZ-OD2 2.76Å; E675-D679 PolarHBondContact O-N 2.9Å; D676-D679 PolarHBondContact O-N 3.18Å; D679-S683 VanDerWaalsContact O-CB 3.22Å; D679-S683 WeakPolarHBondContact O-CB 3.38Å; D679-S683 PolarHBondContact O-N 3.23Å; D679-S683 PolarHBondContact O-OG 2.94Å |
| 680 | V | 51.8 | Low | 49.2 | Very low | 80 Ų | 80 | 90.7 Ų | 90.7 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -43.7 | -177.6 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | D676 S682 S683 T684 | D676-V680 VanDerWaalsContact O-CB 3.27Å; D676-V680 WeakPolarHBondContact O-CB 3.18Å; D676-V680 WeakPolarHBondContact O-CG2 3.21Å; D676-V680 PolarHBondContact O-N 3.46Å; V680-S682 PolarHBondContact O-N 2.74Å; V680-S683 PolarHBondContact O-N 2.94Å; V680-T684 WeakPolarHBondContact O-CB 3.04Å; V680-T684 PolarHBondContact O-N 2.82Å; V680-T684 PolarHBondContact O-OG1 2.89Å |
| 681 | T | 43.7 | Very low | 47.8 | Very low | 91 Ų | 91 | 89.4 Ų | 89.4 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 176.9 | 44.6 | 0 | 0 | 0 | 0 | 112 | M677 A678 A685 | M677-T681 WeakPolarHBondContact O-CG2 3.27Å; M677-T681 PolarHBondContact O-N 3.47Å; M677-T681 PolarHBondContact O-OG1 3.27Å; A678-T681 PolarHBondContact O-OG1 2.85Å; A678-T681 VanDerWaalsContact O-OG1 3.12Å; T681-A685 PolarHBondContact O-N 2.89Å |
| 682 | S | 50.3 | Low | 46.5 | Very low | 74 Ų | 74 | 95.7 Ų | 95.7 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | A678 V680 T684 A685 E686 | A678-S682 WeakPolarHBondContact O-CB 3.48Å; A678-S682 PolarHBondContact O-N 3.1Å; V680-S682 PolarHBondContact O-N 2.74Å; S682-T684 VanDerWaalsContact C-N 3.31Å; S682-T684 PolarHBondContact O-N 2.83Å; S682-A685 WeakPolarHBondContact O-CB 3.29Å; S682-A685 PolarHBondContact O-N 3.45Å; S682-A685 VanDerWaalsContact O-N 3.16Å; S682-E686 PolarHBondContact O-N 3.36Å; S682-E686 VanDerWaalsContact O-N 3.13Å |
| 683 | S | 45.6 | Very low | 45.4 | Very low | 49 Ų | 49 | 100.8 Ų | 100.8 | 34% | 0.343 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -30.9 | -179.1 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | D679 V680 L687 | D679-S683 VanDerWaalsContact O-CB 3.22Å; D679-S683 WeakPolarHBondContact O-CB 3.38Å; D679-S683 PolarHBondContact O-N 3.23Å; D679-S683 PolarHBondContact O-OG 2.94Å; V680-S683 PolarHBondContact O-N 2.94Å; S683-L687 WeakPolarHBondContact O-CD1 3.48Å; S683-L687 VanDerWaalsContact O-CG 3.3Å; S683-L687 WeakPolarHBondContact O-CG 3.5Å; S683-L687 PolarHBondContact O-N 3.22Å |
| 684 | T | 45.7 | Very low | 44.7 | Very low | 69 Ų | 69 | 102.4 Ų | 102.4 | 42% | 0.423 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.6 | -34.3 | 174.3 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | V680 S682 L687 L688 | V680-T684 WeakPolarHBondContact O-CB 3.04Å; V680-T684 PolarHBondContact O-N 2.82Å; V680-T684 PolarHBondContact O-OG1 2.89Å; S682-T684 VanDerWaalsContact C-N 3.31Å; S682-T684 PolarHBondContact O-N 2.83Å; T684-L687 PolarHBondContact O-N 3.49Å; T684-L688 HydrophobicContact CG2-CD1 3.97Å; T684-L688 HydrophobicContact CG2-CG 4.42Å; T684-L688 WeakPolarHBondContact O-CG 3.47Å; T684-L688 PolarHBondContact O-N 2.74Å; T684-L688 VanDerWaalsContact O-N 3.11Å |
| 685 | A | 45.6 | Very low | 43.9 | Very low | 54 Ų | 54 | 104.3 Ų | 104.3 | 45% | 0.446 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.8 | -48.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | T681 S682 L687 L688 E689 | T681-A685 PolarHBondContact O-N 2.89Å; S682-A685 WeakPolarHBondContact O-CB 3.29Å; S682-A685 PolarHBondContact O-N 3.45Å; S682-A685 VanDerWaalsContact O-N 3.16Å; A685-L687 PolarHBondContact O-N 3.02Å; A685-L687 VanDerWaalsContact O-N 3.09Å; A685-L688 PolarHBondContact O-N 2.55Å; A685-E689 PolarHBondContact O-N 2.79Å |
| 686 | E | 47.8 | Very low | 42.8 | Very low | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -56.5 | -26.8 | 174.1 | -79.6 | -161.4 | 171 | 0 | 0 | 113.2 | S682 | S682-E686 PolarHBondContact O-N 3.36Å; S682-E686 VanDerWaalsContact O-N 3.13Å |
| 687 | L | 46.9 | Very low | 41.6 | Very low | 85 Ų | 85 | 108.7 Ų | 108.7 | 45% | 0.445 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -87.9 | -18.1 | 179.5 | -74.4 | 171.7 | 0 | 0 | 0 | 114 | M647 S683 T684 A685 | M647-L687 HydrophobicContact CE-CD2 4.3Å; S683-L687 WeakPolarHBondContact O-CD1 3.48Å; S683-L687 VanDerWaalsContact O-CG 3.3Å; S683-L687 WeakPolarHBondContact O-CG 3.5Å; S683-L687 PolarHBondContact O-N 3.22Å; T684-L687 PolarHBondContact O-N 3.49Å; A685-L687 PolarHBondContact O-N 3.02Å; A685-L687 VanDerWaalsContact O-N 3.09Å |
| 688 | L | 45 | Very low | 40.7 | Very low | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -90.3 | -36.1 | 178.3 | -71.7 | 169.3 | 0 | 0 | 0 | 112 | T684 A685 D690 G691 | T684-L688 HydrophobicContact CG2-CD1 3.97Å; T684-L688 HydrophobicContact CG2-CG 4.42Å; T684-L688 WeakPolarHBondContact O-CG 3.47Å; T684-L688 PolarHBondContact O-N 2.74Å; T684-L688 VanDerWaalsContact O-N 3.11Å; A685-L688 PolarHBondContact O-N 2.55Å; L688-D690 PolarHBondContact O-N 2.84Å; L688-G691 PolarHBondContact O-N 2.85Å; L688-G691 VanDerWaalsContact O-N 3.12Å |
| 689 | E | 42.5 | Very low | 39.8 | Very low | 183 Ų | 183 | 112.4 Ų | 112.4 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -28.5 | 172 | -67.8 | -169.8 | 142.4 | 0 | 0 | 112.9 | A685 G691 | A685-E689 PolarHBondContact O-N 2.79Å; E689-G691 PolarHBondContact O-N 2.94Å |
| 690 | D | 40.1 | Very low | 38.7 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 7.5 | 178 | -140.5 | 23.8 | 0 | 0 | 0 | 112.1 | L688 K1010 | L688-D690 PolarHBondContact O-N 2.84Å; D690-K1010 IonicContact OD2-NZ 3.41Å; D690-K1010 PolarHBondContact OD2-NZ 3.31Å |
| 691 | G | 33.2 | Very low | 37.5 | Very low | 51 Ų | 51 | 119.1 Ų | 119.1 | 53% | 0.526 | 68% | 0.681 | S | S | . | * | trans | -110.3 | -28.7 | -158.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | L688 E689 E693 | L688-G691 PolarHBondContact O-N 2.85Å; L688-G691 VanDerWaalsContact O-N 3.12Å; E689-G691 PolarHBondContact O-N 2.94Å; G691-E693 PolarHBondContact O-N 3.07Å | ||
| 692 | E | 35.3 | Very low | 36.8 | Very low | 194 Ų | 194 | 123.6 Ų | 123.6 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | trans | -94.9 | 88.4 | -172.6 | -70.1 | -161.1 | 142.5 | 0 | 0 | 114.3 | ||||
| 693 | E | 32.6 | Very low | 35.7 | Very low | 193 Ų | 193 | 123.1 Ų | 123.1 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | trans | -165.1 | 77.4 | 152.7 | -127.1 | -179.1 | -146.5 | 0 | 0 | 110.1 | G691 | G691-E693 PolarHBondContact O-N 3.07Š| ||
| 694 | L | 35.3 | Very low | 34.9 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | trans | -149.8 | 34.2 | -178.3 | -123.6 | 171.8 | 0 | 0 | 0 | 116.3 | ||||
| 695 | I | 31 | Very low | 33.9 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 91% | 0.908 | 75% | 0.748 | S | S | * | * | trans | -139.1 | 135.8 | 160.6 | -49.8 | 174.9 | 0 | 0 | 0 | 105.3 | ||||
| 696 | G | 28.8 | Very low | 33 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | 178.1 | 117.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 107 | D698 | G696-D698 PolarHBondContact O-N 3.04Š| ||
| 697 | D | 26.7 | Very low | 32 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -87 | 107.6 | -172.6 | -175.1 | 27 | 0 | 0 | 0 | 110.6 | ||||
| 698 | D | 26.9 | Very low | 30.9 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -143.5 | 150.9 | 161.6 | -155.1 | -8.1 | 0 | 0 | 0 | 109.8 | G696 | G696-D698 PolarHBondContact O-N 3.04Š| ||
| 699 | S | 29.7 | Very low | 30 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -130.5 | 103.3 | -157.2 | 156.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 700 | S | 28.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -143.6 | 117.4 | 166.1 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 701 | N | 27.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -84.7 | 132.5 | 168.2 | 152.9 | 104.4 | 0 | 0 | 0 | 109.7 | ||||
| 702 | E | 29.5 | Very low | 28.2 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -177.3 | 159.6 | 140.1 | -111.7 | 165.9 | -139.2 | 0 | 0 | 113.1 | ||||
| 703 | G | 25.5 | Very low | 27.8 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | trans | 92.9 | 92.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 704 | E | 28.9 | Very low | 27.5 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | 44.2 | 148.9 | 126.6 | -58.2 | -178.3 | 169.2 | 0 | 0 | 123.3 | |||||
| 705 | G | 25.5 | Very low | 27.1 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 130.3 | 118.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 706 | E | 27.1 | Very low | 26.8 | Very low | 196 Ų | 196 | 130 Ų | 130 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -63.3 | 161.9 | 161.6 | -59.2 | 161.1 | 137 | 0 | 0 | 109.9 | ||||
| 707 | D | 25.8 | Very low | 26.6 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | cis | -173.3 | 177.2 | 46.4 | -179.9 | 27.4 | 0 | 0 | 0 | 110.4 | ||||
| 708 | G | 25.5 | Very low | 26.4 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 107.7 | 96.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 709 | G | 24.3 | Very low | 26.3 | Very low | 86 Ų | 86 | 132 Ų | 132 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -96.5 | 160.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 710 | G | 25.4 | Very low | 26 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -170.7 | 63.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 711 | D | 27.6 | Very low | 26 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 23.5 | 110 | 155.8 | -162.2 | 25.8 | 0 | 0 | 0 | 122.7 | ||||
| 712 | G | 25.7 | Very low | 25.8 | Very low | 56 Ų | 56 | 135.3 Ų | 135.3 | 58% | 0.577 | 80% | 0.802 | S | S | * | * | 63.2 | 118.7 | 117.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 713 | K | 27.4 | Very low | 25.6 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | -169.6 | 150.7 | 106.8 | -106.3 | 161.6 | -170.8 | 160.7 | 0 | 117.3 | |||||
| 714 | K | 26.4 | Very low | 25.5 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -37.5 | 142.7 | 169.1 | -52.3 | 172.9 | 177 | -177.2 | 0 | 115.7 | ||||
| 715 | N | 25.6 | Very low | 25.3 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | -165.4 | 144.1 | 95.4 | -94.7 | -12.4 | 0 | 0 | 0 | 111.5 | |||||
| 716 | G | 24.6 | Very low | 25.3 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -122.8 | 144.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 717 | V | 25 | Very low | 25.1 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 119.4 | 173 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 718 | E | 23 | Very low | 25 | Very low | 174 Ų | 174 | 129 Ų | 129 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -98.8 | -179.9 | 164.4 | -71.3 | -170.6 | 118.3 | 0 | 0 | 109.9 | ||||
| 719 | V | 25.2 | Very low | 25 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 76.6 | 135.8 | 163.9 | -158.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 720 | K | 22.9 | Very low | 25 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 67% | 0.665 | 79% | 0.789 | S | S | * | * | cis | -145.5 | 164.9 | 15.7 | -144.5 | 161.6 | -164.5 | -167.1 | 0 | 112.7 | E722 | K720-E722 HydrophobicContact CD-CG 4.05Å; K720-E722 WeakPolarHBondContact CD-OE1 3.08Å; K720-E722 WeakPolarHBondContact CE-OE1 3.42Å; K720-E722 HydrophobicContact CG-CG 4.18Å; K720-E722 IonicContact NZ-OE1 2.63Å; K720-E722 PolarHBondContact NZ-OE1 2.68Å | ||
| 721 | V | 27.9 | Very low | 25 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -119.6 | 127 | 159.7 | 174.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 722 | E | 23.7 | Very low | 24.9 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | -148.4 | 125.9 | 173.8 | -79 | -171.4 | -179.7 | 0 | 0 | 114 | K720 | K720-E722 HydrophobicContact CD-CG 4.05Å; K720-E722 WeakPolarHBondContact CD-OE1 3.08Å; K720-E722 WeakPolarHBondContact CE-OE1 3.42Å; K720-E722 HydrophobicContact CG-CG 4.18Å; K720-E722 IonicContact NZ-OE1 2.63Å; K720-E722 PolarHBondContact NZ-OE1 2.68Å | ||
| 723 | K | 23.9 | Very low | 24.9 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -167.1 | 117 | 134.1 | -102.2 | -177 | 176.3 | -174.6 | 0 | 105.7 | ||||
| 724 | A | 24.9 | Very low | 24.7 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | 68.4 | 131.9 | 81.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 725 | T | 24.1 | Very low | 24.5 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | cis | -142.8 | 164.4 | 26.8 | 45 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 726 | E | 25.2 | Very low | 24.4 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | 47.7 | 138.2 | 144.4 | -67.1 | 144.6 | -141 | 0 | 0 | 121.9 | ||||
| 727 | G | 22.6 | Very low | 24.3 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | cis | 127.8 | 82.9 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 728 | A | 25.2 | Very low | 24.2 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -157.3 | 143.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 729 | E | 23.9 | Very low | 24.3 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -50.5 | 176.8 | 174.5 | -68 | 148.8 | -173.1 | 0 | 0 | 117.5 | ||||
| 730 | A | 25.8 | Very low | 24.3 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | 179.8 | 169.6 | -32.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 731 | E | 24.6 | Very low | 24.5 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 81.6 | 114.8 | 156.6 | -52.3 | -142 | 139.1 | 0 | 0 | 123 | ||||
| 732 | H | 26 | Very low | 24.4 | Very low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 78.5 | 150.3 | 130.9 | -87 | -96.2 | 0 | 0 | 0 | 124.9 | ||||
| 733 | K | 25.3 | Very low | 24.6 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -93.7 | 162.9 | -178.6 | -39.9 | 163.8 | 179.6 | 175.8 | 0 | 110.7 | ||||
| 734 | E | 22.8 | Very low | 24.7 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | -172 | 179.8 | 103.3 | -109.6 | 168.6 | -156.7 | 0 | 0 | 112.5 | |||||
| 735 | D | 23 | Very low | 24.8 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -78.9 | 169.4 | -167.7 | -54.8 | -88.5 | 0 | 0 | 0 | 115.4 | ||||
| 736 | G | 21.9 | Very low | 24.8 | Very low | 83 Ų | 83 | 144.8 Ų | 144.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -178.4 | 93.3 | 174 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 737 | D | 22.8 | Very low | 24.9 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 134.6 | 179.5 | 174.3 | 25.3 | 0 | 0 | 0 | 115.1 | K739 | D737-K739 IonicContact OD1-NZ 3.87Å; D737-K739 IonicContact OD2-NZ 2.81Å; D737-K739 PolarHBondContact OD2-NZ 2.83Å | ||
| 738 | A | 24.4 | Very low | 25 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -174.5 | 127.9 | 144 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 739 | K | 25.3 | Very low | 25 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 70% | 0.7 | 78% | 0.781 | S | S | * | * | cis | 85.5 | 104.4 | 35.7 | -76.8 | -175.9 | 178.3 | 126 | 0 | 117.3 | D737 | D737-K739 IonicContact OD1-NZ 3.87Å; D737-K739 IonicContact OD2-NZ 2.81Å; D737-K739 PolarHBondContact OD2-NZ 2.83Å | ||
| 740 | E | 24.4 | Very low | 25 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -174.7 | 129.3 | 131 | -96.5 | 165.9 | -173.2 | 0 | 0 | 105.7 | ||||
| 741 | L | 26.4 | Very low | 24.9 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 69.1 | 134.7 | 52.9 | -59.8 | 170.1 | 0 | 0 | 0 | 112.3 | |||||
| 742 | D | 27.4 | Very low | 24.9 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | -162.4 | 171.3 | -3.9 | -115.4 | -5.8 | 0 | 0 | 0 | 107.5 | ||||
| 743 | D | 27 | Very low | 24.9 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 54% | 0.54 | 79% | 0.791 | S | S | . | * | cis | -155.1 | -166.7 | 0.9 | 168.3 | 34.6 | 0 | 0 | 0 | 106.2 | ||||
| 744 | M | 26.3 | Very low | 24.8 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 102.1 | 62.2 | 155.3 | -54.9 | -147.8 | 155.1 | 0 | 0 | 119.9 | ||||
| 745 | K | 26.9 | Very low | 25 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 67% | 0.665 | 79% | 0.792 | S | S | * | * | 43.7 | 129 | 110.3 | -60.1 | 179.4 | -178.4 | -177 | 0 | 121 | |||||
| 746 | E | 24.5 | Very low | 25.1 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | -148.2 | 156.2 | 102.4 | -126.1 | 174.3 | -167.9 | 0 | 0 | 109.6 | |||||
| 747 | E | 26.8 | Very low | 25.2 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -125 | 160.5 | -161.2 | -67.3 | 175.3 | 137 | 0 | 0 | 114.3 | ||||
| 748 | G | 25 | Very low | 25.2 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 117 | 124.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 749 | E | 24.5 | Very low | 25.3 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | cis | -161 | 126.5 | -11.8 | -146.6 | 167.3 | -145.3 | 0 | 0 | 107.6 | ||||
| 750 | E | 23.9 | Very low | 25.3 | Very low | 194 Ų | 194 | 153 Ų | 153 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -120.2 | 140.2 | 165.9 | -73.2 | -165.8 | 156.9 | 0 | 0 | 107.7 | ||||
| 751 | D | 24.3 | Very low | 25.3 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -112.7 | 135.5 | 179.5 | -142.2 | -10.5 | 0 | 0 | 0 | 108.6 | ||||
| 752 | E | 25.2 | Very low | 25.1 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -81.5 | -165.5 | -166.3 | -39.7 | -175.4 | 117.8 | 0 | 0 | 111.7 | ||||
| 753 | V | 25.3 | Very low | 24.9 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | cis | -154.3 | 161.4 | 35.4 | -145.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 754 | E | 23.9 | Very low | 24.8 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -60.5 | 172.7 | 166.6 | -56.1 | -169.7 | 122.3 | 0 | 0 | 113 | ||||
| 755 | G | 26.1 | Very low | 24.8 | Very low | 71 Ų | 71 | 152.8 Ų | 152.8 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | -144.4 | 163.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 756 | L | 24.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | trans | -144.9 | 140.8 | 175.1 | -100.5 | 167 | 0 | 0 | 0 | 113.5 | ||||
| 757 | E | 25 | Very low | 24.8 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | 36.3 | 123.1 | 160.6 | -70.9 | -167.3 | -170.1 | 0 | 0 | 123.6 | ||||
| 758 | A | 22.8 | Very low | 24.9 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | -147.1 | 131.6 | 128 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 759 | K | 26.8 | Very low | 24.9 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 82% | 0.817 | 83% | 0.832 | S | S | * | * | trans | -85.5 | 133.2 | 176.7 | -77.2 | 169.7 | 176.9 | 149.5 | 0 | 112.1 | ||||
| 760 | V | 23.6 | Very low | 25 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -135.3 | 144.9 | 152.9 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 761 | K | 24.2 | Very low | 25.3 | Very low | 186 Ų | 186 | 147 Ų | 147 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | trans | -74.3 | 157.2 | -175.7 | -58.4 | 176.3 | 179.6 | -179.3 | 0 | 112.6 | ||||
| 762 | S | 23.3 | Very low | 25.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -125.5 | 96.6 | 164.1 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 763 | D | 23.7 | Very low | 25.7 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | -101.5 | 152.6 | 159.9 | -72.1 | -60.8 | 0 | 0 | 0 | 108.5 | ||||
| 764 | G | 24.3 | Very low | 26.1 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 108.6 | 101.4 | 163 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 765 | E | 25 | Very low | 26.5 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 48.4 | 93.9 | 135 | -56.8 | -173.1 | 158.7 | 0 | 0 | 120.1 | A767 | E765-A767 PolarHBondContact O-N 3.34Š| ||
| 766 | S | 25.9 | Very low | 26.8 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -78.8 | 89.9 | 163.2 | 60.3 | 0 | 0 | 0 | 0 | 112 | E768 | S766-E768 PolarHBondContact O-N 2.94Š| ||
| 767 | A | 26.5 | Very low | 27 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 118.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E765 F769 | E765-A767 PolarHBondContact O-N 3.34Å; A767-F769 PolarHBondContact O-N 2.89Å | ||
| 768 | E | 29.4 | Very low | 27.5 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 95.8 | 175.5 | -76.1 | -162.9 | 119.7 | 0 | 0 | 112.3 | S766 S770 | S766-E768 PolarHBondContact O-N 2.94Å; E768-S770 PolarHBondContact O-N 3.45Å; E768-S770 VanDerWaalsContact O-N 3.14Å | ||
| 769 | F | 23.6 | Very low | 28 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -81.3 | 90.3 | 169.9 | -122.3 | -84.3 | 0 | 0 | 0 | 111.5 | A767 F771 | A767-F769 PolarHBondContact O-N 2.89Å; F769-F771 PolarHBondContact O-N 2.94Å | ||
| 770 | S | 28.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -69.8 | 108.8 | 176 | 50 | 0 | 0 | 0 | 0 | 111.8 | E768 | E768-S770 PolarHBondContact O-N 3.45Å; E768-S770 VanDerWaalsContact O-N 3.14Å | ||
| 771 | F | 28.8 | Very low | 28.7 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 137.9 | 169 | -77.6 | -90.3 | 0 | 0 | 0 | 110.4 | F769 D773 | F769-F771 PolarHBondContact O-N 2.94Å; F771-D773 PolarHBondContact O-N 3.01Å |
| 772 | P | 30.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133 | -179.6 | 27.3 | -34.2 | 0 | 0 | 0 | 111.4 | T774 | P772-T774 PolarHBondContact O-N 3.1Š|
| 773 | D | 28.9 | Very low | 29.1 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.2 | -174.2 | -124.2 | -43.3 | 0 | 0 | 0 | 112.6 | F771 T775 | F771-D773 PolarHBondContact O-N 3.01Å; D773-T775 WeakPolarHBondContact OD1-CB 3.05Å; D773-T775 WeakPolarHBondContact OD1-CG2 3.43Å; D773-T775 PolarHBondContact OD1-OG1 3.09Å |
| 774 | T | 32.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -108.3 | 29.8 | 166 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | P772 I776 | P772-T774 PolarHBondContact O-N 3.1Å; T774-I776 VanDerWaalsContact C-N 3.34Å; T774-I776 PolarHBondContact O-N 3.11Å | ||
| 775 | T | 32.4 | Very low | 29.3 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | trans | -65.6 | 88.1 | 167.4 | 40.8 | 0 | 0 | 0 | 0 | 110.9 | D773 S777 | D773-T775 WeakPolarHBondContact OD1-CB 3.05Å; D773-T775 WeakPolarHBondContact OD1-CG2 3.43Å; D773-T775 PolarHBondContact OD1-OG1 3.09Å; T775-S777 PolarHBondContact O-N 3.38Å | ||
| 776 | I | 32.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 60% | 0.595 | 77% | 0.773 | S | S | * | * | trans | -59.8 | 103.7 | 174.9 | -60.7 | 175.9 | 0 | 0 | 0 | 109.2 | T774 L778 | T774-I776 VanDerWaalsContact C-N 3.34Å; T774-I776 PolarHBondContact O-N 3.11Å; I776-L778 HydrophobicContact CG2-CD2 4.31Å; I776-L778 PolarHBondContact O-N 2.72Å | ||
| 777 | S | 29.9 | Very low | 29.2 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -70.3 | 99 | 175.8 | -75.5 | 0 | 0 | 0 | 0 | 110.3 | T775 S779 | T775-S777 PolarHBondContact O-N 3.38Å; S777-S779 PolarHBondContact O-N 3.18Å | ||
| 778 | L | 35.7 | Very low | 29.2 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -73.8 | 54.9 | 177.4 | -70.7 | 171.9 | 0 | 0 | 0 | 112.7 | I776 | I776-L778 HydrophobicContact CG2-CD2 4.31Å; I776-L778 PolarHBondContact O-N 2.72Å | ||
| 779 | S | 32.6 | Very low | 28.9 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | -95.9 | -3.4 | 178.6 | 57.7 | 0 | 0 | 0 | 0 | 114 | S777 | S777-S779 PolarHBondContact O-N 3.18Š| ||
| 780 | H | 33.8 | Very low | 28.9 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -110.3 | 20.6 | -175.4 | -122.5 | 75 | 0 | 0 | 0 | 115.3 | ||
| 781 | L | 31.2 | Very low | 28.6 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -125.6 | 43.6 | 170.8 | -89.1 | 170.7 | 0 | 0 | 0 | 112.2 | ||||
| 782 | Q | 28.4 | Very low | 28.3 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -95.1 | 114.4 | 157.5 | -73.6 | -168.8 | -24.5 | 0 | 0 | 109 | T784 | Q782-T784 PolarHBondContact O-N 3.24Š| ||
| 783 | S | 26.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 109.1 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | R785 | S783-R785 VanDerWaalsContact C-N 3.34Å; S783-R785 PolarHBondContact O-N 2.94Å | ||
| 784 | T | 26.7 | Very low | 27.6 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -65.6 | 93.2 | 169 | -49.3 | 0 | 0 | 0 | 0 | 109.7 | Q782 | Q782-T784 PolarHBondContact O-N 3.24Š| ||
| 785 | R | 25.8 | Very low | 27 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | -137.8 | 68.6 | 169.8 | -161.6 | 175.4 | -170 | -179.2 | 2.2 | 110.3 | S783 T787 | S783-R785 VanDerWaalsContact C-N 3.34Å; S783-R785 PolarHBondContact O-N 2.94Å; R785-T787 PolarHBondContact O-N 3.44Å | ||
| 786 | E | 25.1 | Very low | 26.4 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -60.7 | 122.1 | 158.5 | -66.7 | -173.8 | 144.2 | 0 | 0 | 108 | ||||
| 787 | T | 24.9 | Very low | 25.9 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -87.1 | 107.6 | 174.1 | 46.9 | 0 | 0 | 0 | 0 | 109.3 | R785 | R785-T787 PolarHBondContact O-N 3.44Š| ||
| 788 | Q | 26.3 | Very low | 25.5 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -108.2 | 115.3 | 157.5 | -73 | -169.3 | -17.1 | 0 | 0 | 109.4 | ||||
| 789 | S | 21.8 | Very low | 24.8 | Very low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -74.9 | 157.9 | 149.6 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 790 | A | 23.6 | Very low | 24.3 | Very low | 105 Ų | 105 | 154 Ų | 154 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | cis | -149.3 | -169.5 | 9.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 791 | G | 23.3 | Very low | 23.7 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 107.9 | 69.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 792 | F | 21 | Very low | 23.3 | Very low | 212 Ų | 212 | 153 Ų | 153 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 122.4 | 155 | -106.2 | -89.6 | 0 | 0 | 0 | 109.2 | ||||
| 793 | K | 23.9 | Very low | 23 | Very low | 204 Ų | 204 | 147.9 Ų | 147.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -103 | 150.6 | 147.6 | -88.1 | -172 | 174.4 | -177.9 | 0 | 108.7 | ||||
| 794 | K | 20.8 | Very low | 22.9 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -99.8 | -176.8 | -175.7 | -151.6 | 178.4 | -178.1 | -175.5 | 0 | 109.6 | ||||
| 795 | V | 21.1 | Very low | 22.8 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | 82.7 | 132 | -178.6 | -175.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 796 | S | 20.7 | Very low | 22.9 | Very low | 90 Ų | 90 | 154 Ų | 154 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | cis | -162 | 155 | -21.7 | -101 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 797 | I | 20.2 | Very low | 22.9 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 70% | 0.697 | 82% | 0.816 | S | S | * | * | trans | 35.1 | 115.7 | 139.8 | -53 | 165.7 | 0 | 0 | 0 | 118.4 | ||||
| 798 | Q | 22.5 | Very low | 23 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | -164.5 | -169 | 99.2 | -142.5 | 114.5 | 42.2 | 0 | 0 | 110.8 | |||||
| 799 | V | 20.9 | Very low | 23.3 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | trans | -130.7 | 175.6 | -163.4 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 800 | E | 21.4 | Very low | 23.8 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | 92.2 | 107.7 | 173.9 | -55.2 | -178.6 | 168.5 | 0 | 0 | 113.4 | ||||
| 801 | V | 21.8 | Very low | 24.5 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | 75.2 | 103.1 | 65.4 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 802 | E | 22.3 | Very low | 25.5 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | -167.4 | 156.6 | 123.6 | -114.3 | -166.3 | 169.5 | 0 | 0 | 116.5 | |||||
| 803 | A | 22.9 | Very low | 26.5 | Very low | 70 Ų | 70 | 148 Ų | 148 | 58% | 0.579 | 80% | 0.797 | S | S | * | * | trans | 45.1 | 119.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 804 | Q | 24.6 | Very low | 27.6 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | 86.3 | 165.9 | 125.2 | -69.6 | -178.2 | 16.7 | 0 | 0 | 122 | |||||
| 805 | K | 24.3 | Very low | 28.8 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -113.3 | 155.5 | -166.9 | -48.5 | 159.8 | -176.8 | 165.6 | 0 | 108.5 | ||||
| 806 | E | 27.7 | Very low | 29.9 | Very low | 204 Ų | 204 | 146 Ų | 146 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | -170 | 175.6 | 113.4 | -108.5 | 178 | -166.4 | 0 | 0 | 111.8 | |||||
| 807 | G | 24.6 | Very low | 30.7 | Very low | 77 Ų | 77 | 151.6 Ų | 151.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -138.6 | 129 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 808 | G | 28.1 | Very low | 31.5 | Very low | 81 Ų | 81 | 151.1 Ų | 151.1 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -108.5 | 138.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 809 | K | 31.6 | Very low | 32.2 | Very low | 208 Ų | 208 | 150.3 Ų | 150.3 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 152.1 | -178 | -68.4 | 177 | -178.1 | 172.4 | 0 | 112.3 | ||
| 810 | H | 32.5 | Very low | 33 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -86 | 133.1 | -175.3 | -169.7 | -106.4 | 0 | 0 | 0 | 111.8 | ||
| 811 | I | 37.8 | Very low | 33.5 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 68% | 0.677 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 135.2 | -175.7 | -59.3 | 172.3 | 0 | 0 | 0 | 110.9 | ||
| 812 | T | 44.1 | Very low | 33.9 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 141.8 | -170.7 | -46.5 | 0 | 0 | 0 | 0 | 113 | K814 | T812-K814 PolarHBondContact O-N 3.47Š|
| 813 | A | 42.2 | Very low | 34.2 | Very low | 89 Ų | 89 | 153 Ų | 153 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 814 | K | 48.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -51.8 | 176.7 | -165.2 | -177.9 | 175.8 | -167.7 | 0 | 112.3 | T812 R816 R817 E818 | T812-K814 PolarHBondContact O-N 3.47Å; K814-R816 PolarHBondContact O-N 3.33Å; K814-R817 WeakPolarHBondContact O-CB 3.34Å; K814-R817 PolarHBondContact O-N 3.12Å; K814-E818 WeakPolarHBondContact CE-OE1 3.24Å |
| 815 | Q | 44.5 | Very low | 34.4 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -56 | -38 | -179.4 | -76.1 | 170.6 | -67.6 | 0 | 0 | 112.3 | R817 E818 | Q815-R817 PolarHBondContact O-N 3.47Å; Q815-E818 PolarHBondContact O-N 2.97Å |
| 816 | R | 44.8 | Very low | 34.5 | Very low | 212 Ų | 212 | 153.4 Ų | 153.4 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -67.1 | 2.8 | 179.2 | -137 | -179.9 | -165.2 | -179 | 6 | 115.6 | K814 | K814-R816 PolarHBondContact O-N 3.33Å |
| 817 | R | 37.2 | Very low | 34.2 | Very low | 209 Ų | 209 | 147.5 Ų | 147.5 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -112.7 | -22.7 | -179.5 | -162.9 | 174.5 | -174.6 | -177 | 0.5 | 113.4 | K814 Q815 | K814-R817 WeakPolarHBondContact O-CB 3.34Å; K814-R817 PolarHBondContact O-N 3.12Å; Q815-R817 PolarHBondContact O-N 3.47Å |
| 818 | E | 38.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 59% | 0.589 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -86.4 | -35.5 | -177.6 | -74.5 | 154.1 | -174.2 | 0 | 0 | 111 | K814 Q815 K820 | K814-E818 WeakPolarHBondContact CE-OE1 3.24Å; Q815-E818 PolarHBondContact O-N 2.97Å; E818-K820 PolarHBondContact O-N 3.23Å |
| 819 | E | 37.1 | Very low | 33.8 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -4.6 | 172.2 | -61.2 | 176.3 | 141.9 | 0 | 0 | 114.9 | ||
| 820 | K | 37.4 | Very low | 33.3 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 19.6 | -172.9 | -131.8 | 177.3 | -173.6 | -178.9 | 0 | 115.4 | E818 | E818-K820 PolarHBondContact O-N 3.23Š|
| 821 | K | 32.3 | Very low | 32.8 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -136.7 | 87.4 | 167.4 | -89 | -167 | 165.6 | -165.5 | 0 | 110.4 | ||
| 822 | G | 28.4 | Very low | 32.1 | Very low | 70 Ų | 70 | 149.9 Ų | 149.9 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 165.2 | 71.6 | 172 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 823 | K | 28.7 | Very low | 31 | Very low | 219 Ų | 219 | 151.5 Ų | 151.5 | 95% | 0.952 | 74% | 0.735 | S | S | * | * | trans | 175 | 154.1 | 136 | -99.1 | 171.8 | -179.2 | -173.9 | 0 | 111 | ||||
| 824 | Q | 27.2 | Very low | 30.2 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | -145 | 150.8 | 178.2 | -147.1 | -174.8 | -65.6 | 0 | 0 | 108.2 | ||||
| 825 | D | 25.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | 45.3 | 115.7 | 163.1 | -50.5 | -29.8 | 0 | 0 | 0 | 120.7 | ||||
| 826 | H | 25.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | -161.8 | 156.9 | 102.1 | -121.6 | -81.7 | 0 | 0 | 0 | 112.6 | |||||
| 827 | S | 22.4 | Very low | 27.4 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | trans | -84.1 | 176 | 164.7 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 828 | E | 23.1 | Very low | 26.7 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | cis | -158 | -177.6 | 16.9 | -133.9 | 144.9 | -76.6 | 0 | 0 | 107.5 | ||||
| 829 | S | 20.7 | Very low | 26 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | -149 | -67.1 | 5.5 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 830 | Q | 21.5 | Very low | 25.5 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -155 | 171.1 | -151.6 | -73.8 | 164.8 | -96 | 0 | 0 | 110.7 | ||||
| 831 | E | 21.1 | Very low | 24.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -165 | -173.6 | -19.9 | -99.5 | 165.6 | 155.5 | 0 | 0 | 105.6 | ||||
| 832 | E | 23.1 | Very low | 24.4 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -155.9 | 178.9 | 9.6 | -148 | -166 | 147.5 | 0 | 0 | 110.2 | ||||
| 833 | E | 22.5 | Very low | 24.2 | Very low | 142 Ų | 142 | 139 Ų | 139 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 63.4 | 156.7 | 167.7 | -57.8 | -146.6 | 135.2 | 0 | 0 | 119.2 | K835 | E833-K835 VanDerWaalsContact OE1-CE 3.26Å; E833-K835 WeakPolarHBondContact OE1-CE 3.29Å; E833-K835 IonicContact OE1-NZ 3.62Å; E833-K835 PolarHBondContact OE1-NZ 2.74Å; E833-K835 IonicContact OE2-NZ 2.71Å; E833-K835 PolarHBondContact OE2-NZ 3.01Å | ||
| 834 | G | 24.4 | Very low | 24 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | cis | 171.7 | -177.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 835 | K | 27.3 | Very low | 23.8 | Very low | 147 Ų | 147 | 130 Ų | 130 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | cis | -160.6 | 167.7 | -8.4 | -87.8 | -154.6 | 174.9 | 86.4 | 0 | 107.5 | E833 | E833-K835 VanDerWaalsContact OE1-CE 3.26Å; E833-K835 WeakPolarHBondContact OE1-CE 3.29Å; E833-K835 IonicContact OE1-NZ 3.62Å; E833-K835 PolarHBondContact OE1-NZ 2.74Å; E833-K835 IonicContact OE2-NZ 2.71Å; E833-K835 PolarHBondContact OE2-NZ 3.01Å | ||
| 836 | T | 25.1 | Very low | 23.8 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | cis | -110.9 | -86.1 | -9.1 | -37.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 837 | E | 25.9 | Very low | 23.9 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -172.6 | 134.6 | -14 | -140.4 | 137.8 | -70 | 0 | 0 | 108 | ||||
| 838 | E | 23.5 | Very low | 24.1 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | cis | -129.5 | 163.3 | -17.6 | -168.5 | 176.1 | -128.4 | 0 | 0 | 108.5 | ||||
| 839 | T | 23.6 | Very low | 24.2 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -124.8 | 158.3 | -167.4 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 840 | H | 26.1 | Very low | 24.4 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | 176.6 | 139.8 | 131 | -84.4 | -50 | 0 | 0 | 0 | 110.6 | ||||
| 841 | G | 23.6 | Very low | 24.6 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | 168.4 | 150.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 842 | A | 23.7 | Very low | 24.7 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | 65.2 | 154.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 843 | S | 23.3 | Very low | 24.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -166.3 | 162.9 | -7.4 | 34.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 844 | A | 24.7 | Very low | 25.1 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | cis | -166.8 | -177.8 | -16.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 845 | A | 24.2 | Very low | 25.2 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | 74.5 | 70.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 846 | N | 24.6 | Very low | 25.2 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | 12.1 | 127.8 | 123.8 | -179.7 | 13.2 | 0 | 0 | 0 | 120.1 | |||||
| 847 | Q | 27.1 | Very low | 25.4 | Very low | 195 Ų | 195 | 126 Ų | 126 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -146.5 | 161.6 | 142.1 | -117.5 | -174.8 | 59.4 | 0 | 0 | 114 | ||||
| 848 | K | 26.8 | Very low | 25.6 | Very low | 176 Ų | 176 | 124.1 Ų | 124.1 | 77% | 0.765 | 84% | 0.838 | S | S | * | * | trans | -94.4 | 154.7 | -162.7 | -55.1 | 162.5 | 179.7 | 169.1 | 0 | 113.5 | ||||
| 849 | T | 24.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 91% | 0.908 | 84% | 0.84 | S | S | * | * | -175.8 | 172.9 | 108.6 | 26 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 850 | K | 26.7 | Very low | 26.6 | Very low | 194 Ų | 194 | 128 Ų | 128 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | trans | -91.8 | 167.8 | -155.2 | -71.4 | 177.4 | 170.2 | -179.1 | 0 | 116.7 | ||||
| 851 | S | 23.9 | Very low | 27.1 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | 74.6 | 146.2 | 144.9 | 57.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 852 | G | 24.5 | Very low | 28.3 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | cis | 159.2 | 122 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 853 | G | 26 | Very low | 29.8 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 94% | 0.938 | 83% | 0.826 | S | S | * | * | trans | 75.4 | 156.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 854 | G | 27.5 | Very low | 30.7 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | cis | 170.2 | 136.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 855 | G | 26 | Very low | 31.9 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | 153.7 | 130.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 856 | G | 27.9 | Very low | 33.6 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -142 | 159.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 857 | A | 28.5 | Very low | 35.6 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -135.6 | 139.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 858 | S | 30.6 | Very low | 37.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 140 | -169.9 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 859 | Q | 35.5 | Very low | 38.7 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 131.2 | 171.3 | -70.1 | -166 | 1.2 | 0 | 0 | 111.6 | ||
| 860 | H | 33.1 | Very low | 40.2 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.1 | 176.6 | -100.7 | -77.9 | 0 | 0 | 0 | 112.6 | L862 | H860-L862 PolarHBondContact O-N 2.82Š|
| 861 | P | 36.3 | Very low | 42.2 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129 | 178.4 | 26.7 | -34.2 | 0 | 0 | 0 | 113.1 | ||
| 862 | L | 49.5 | Very low | 44.2 | Very low | 103 Ų | 103 | 126 Ų | 126 | 54% | 0.539 | 73% | 0.731 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 133.2 | -179.3 | -68.5 | 169.1 | 0 | 0 | 0 | 113.3 | H860 | H860-L862 PolarHBondContact O-N 2.82Š|
| 863 | K | 54.2 | Low | 45.9 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 143.9 | -173.9 | -68.2 | 179.2 | 179.5 | 175.7 | 0 | 111.6 | H865 Q866 | K863-H865 PolarHBondContact O-N 2.94Å; K863-Q866 PolarHBondContact O-N 3.32Å |
| 864 | R | 42.9 | Very low | 47.5 | Very low | 220 Ų | 220 | 130.2 Ų | 130.2 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -44.6 | -35.4 | -172.6 | -174.4 | 175.2 | 175.2 | -177.1 | -2 | 115.5 | K867 N868 | R864-K867 PolarHBondContact O-N 2.98Å; R864-N868 PolarHBondContact O-N 3.23Å |
| 865 | H | 49.5 | Very low | 49.1 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -63.8 | -40.7 | 177.2 | -179.3 | 79.2 | 0 | 0 | 0 | 113.4 | K863 N868 K869 | K863-H865 PolarHBondContact O-N 2.94Å; H865-N868 PolarHBondContact O-N 2.92Å; H865-K869 PolarHBondContact O-N 2.7Å |
| 866 | Q | 59.9 | Low | 50.6 | Low | 94 Ų | 94 | 134.5 Ų | 134.5 | 44% | 0.439 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.1 | -39.1 | 178.5 | -70.2 | 164.4 | -54.7 | 0 | 0 | 111.2 | K863 N868 K869 L870 | K863-Q866 PolarHBondContact O-N 3.32Å; Q866-N868 PolarHBondContact O-N 2.9Å; Q866-K869 PolarHBondContact O-N 3.44Å; Q866-K869 VanDerWaalsContact O-N 3.16Å; Q866-L870 PolarHBondContact O-N 3.37Å |
| 867 | K | 65.7 | Low | 51.6 | Low | 132 Ų | 132 | 136.4 Ų | 136.4 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.9 | -39.9 | 174 | -66 | -166.5 | 178.4 | -170.9 | 0 | 112.1 | R864 L870 K871 | R864-K867 PolarHBondContact O-N 2.98Å; K867-L870 PolarHBondContact O-N 3.17Å; K867-K871 WeakPolarHBondContact O-CB 3.47Å; K867-K871 PolarHBondContact O-N 2.89Å |
| 868 | N | 61.4 | Low | 52.7 | Low | 101 Ų | 101 | 138.2 Ų | 138.2 | 54% | 0.54 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.8 | -35.7 | 172.9 | -86.8 | 25.2 | 0 | 0 | 0 | 113 | R864 H865 Q866 K871 K872 | R864-N868 PolarHBondContact O-N 3.23Å; H865-N868 PolarHBondContact O-N 2.92Å; Q866-N868 PolarHBondContact O-N 2.9Å; N868-K871 PolarHBondContact O-N 3.22Å; N868-K872 PolarHBondContact O-N 2.83Å |
| 869 | K | 57.6 | Low | 53.6 | Low | 139 Ų | 139 | 138.7 Ų | 138.7 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.9 | -44.4 | 175.8 | -165 | 178.4 | -178.2 | -175.2 | 0 | 111.3 | H865 Q866 K872 I873 | H865-K869 PolarHBondContact O-N 2.7Å; Q866-K869 PolarHBondContact O-N 3.44Å; Q866-K869 VanDerWaalsContact O-N 3.16Å; K869-K872 PolarHBondContact O-N 3.04Å; K869-I873 HydrophobicContact CG-CD1 4.32Å; K869-I873 VanDerWaalsContact O-CG1 3.3Å; K869-I873 WeakPolarHBondContact O-CG1 3.5Å; K869-I873 PolarHBondContact O-N 2.73Å |
| 870 | L | 57.3 | Low | 54 | Low | 107 Ų | 107 | 132.7 Ų | 132.7 | 56% | 0.56 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.6 | -42.5 | 173.1 | -82.2 | 159.1 | 0 | 0 | 0 | 112.2 | Q866 K867 I873 K874 | Q866-L870 PolarHBondContact O-N 3.37Å; K867-L870 PolarHBondContact O-N 3.17Å; L870-I873 PolarHBondContact O-N 2.87Å; L870-K874 PolarHBondContact O-N 3.47Å |
| 871 | K | 68.8 | Low | 55.2 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.7 | -49.4 | 175 | -165.9 | -179 | 178.7 | -169.6 | 0 | 111 | K867 N868 I873 K874 E875 | K867-K871 WeakPolarHBondContact O-CB 3.47Å; K867-K871 PolarHBondContact O-N 2.89Å; N868-K871 PolarHBondContact O-N 3.22Å; K871-I873 VanDerWaalsContact C-N 3.25Å; K871-I873 PolarHBondContact O-N 3.46Å; K871-K874 PolarHBondContact O-N 3.05Å; K871-K874 VanDerWaalsContact O-N 3.17Å; K871-E875 WeakPolarHBondContact O-CB 3.46Å; K871-E875 PolarHBondContact O-N 2.96Å |
| 872 | K | 64.9 | Low | 56 | Low | 155 Ų | 155 | 130.8 Ų | 130.8 | 67% | 0.674 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.1 | -28.7 | 176.4 | -78.1 | -161 | 176 | -158.9 | 0 | 114.1 | N868 K869 K876 | N868-K872 PolarHBondContact O-N 2.83Å; K869-K872 PolarHBondContact O-N 3.04Å; K872-K876 VanDerWaalsContact O-CB 3.24Å; K872-K876 WeakPolarHBondContact O-CB 3.14Å; K872-K876 PolarHBondContact O-N 2.78Å |
| 873 | I | 60.2 | Low | 56.3 | Low | 83 Ų | 83 | 134 Ų | 134 | 43% | 0.426 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -49.6 | 173.5 | -70.7 | 164.9 | 0 | 0 | 0 | 110 | K869 L870 K871 E875 K876 Y877 | K869-I873 HydrophobicContact CG-CD1 4.32Å; K869-I873 VanDerWaalsContact O-CG1 3.3Å; K869-I873 WeakPolarHBondContact O-CG1 3.5Å; K869-I873 PolarHBondContact O-N 2.73Å; L870-I873 PolarHBondContact O-N 2.87Å; K871-I873 VanDerWaalsContact C-N 3.25Å; K871-I873 PolarHBondContact O-N 3.46Å; I873-E875 PolarHBondContact O-N 3.38Å; I873-K876 PolarHBondContact O-N 3.16Å; I873-K876 VanDerWaalsContact O-N 3.15Å; I873-Y877 HydrophobicContact CG2-CD2 4.04Å; I873-Y877 HydrophobicContact CG2-CE2 4.23Å; I873-Y877 WeakPolarHBondContact O-CD2 3.42Å; I873-Y877 PolarHBondContact O-N 2.94Å; I873-Y877 VanDerWaalsContact O-N 3.12Å |
| 874 | K | 60.7 | Low | 56.4 | Low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -24.2 | 177.4 | -168.3 | 170.8 | -176 | 177.2 | 0 | 113.3 | L870 K871 | L870-K874 PolarHBondContact O-N 3.47Å; K871-K874 PolarHBondContact O-N 3.05Å; K871-K874 VanDerWaalsContact O-N 3.17Å |
| 875 | E | 60.2 | Low | 57 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 52% | 0.523 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -86.2 | -24.7 | 177.1 | -167.9 | 165.9 | -115.9 | 0 | 0 | 112.2 | K871 I873 | K871-E875 WeakPolarHBondContact O-CB 3.46Å; K871-E875 PolarHBondContact O-N 2.96Å; I873-E875 PolarHBondContact O-N 3.38Å |
| 876 | K | 57.2 | Low | 57.2 | Low | 151 Ų | 151 | 126.2 Ų | 126.2 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -83.7 | -29.2 | 175.7 | -170.6 | -174 | 176.3 | -138.8 | 0 | 113.3 | K872 I873 | K872-K876 VanDerWaalsContact O-CB 3.24Å; K872-K876 WeakPolarHBondContact O-CB 3.14Å; K872-K876 PolarHBondContact O-N 2.78Å; I873-K876 PolarHBondContact O-N 3.16Å; I873-K876 VanDerWaalsContact O-N 3.15Å |
| 877 | Y | 48.6 | Very low | 57.2 | Low | 124 Ų | 124 | 127.4 Ų | 127.4 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -115.1 | 43.1 | 178 | -51.1 | -66.5 | 0 | 0 | 0 | 110.5 | I873 | I873-Y877 HydrophobicContact CG2-CD2 4.04Å; I873-Y877 HydrophobicContact CG2-CE2 4.23Å; I873-Y877 WeakPolarHBondContact O-CD2 3.42Å; I873-Y877 PolarHBondContact O-N 2.94Å; I873-Y877 VanDerWaalsContact O-N 3.12Å |
| 878 | K | 53 | Low | 56.3 | Low | 145 Ų | 145 | 126.2 Ų | 126.2 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -83.3 | -35.7 | -179.6 | -176.1 | -176.3 | 153.7 | -77.3 | 0 | 112.1 | ||
| 879 | D | 50.2 | Low | 55.8 | Low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -117.8 | 51.1 | -169.2 | -44.7 | -53.4 | 0 | 0 | 0 | 108.9 | ||
| 880 | Q | 43.9 | Very low | 55.6 | Low | 70 Ų | 70 | 129.9 Ų | 129.9 | 33% | 0.327 | 60% | 0.603 | S | S | . | * | trans | -126.1 | 122.2 | 179.4 | -165.1 | 176.5 | 10.8 | 0 | 0 | 108.1 | D884 | Q880-D884 HydrophobicContact CG-CB 4.16Å; Q880-D884 WeakPolarHBondContact CG-OD2 3.42Å; Q880-D884 PolarHBondContact NE2-OD2 3.21Å | ||
| 881 | D | 56.7 | Low | 55.1 | Low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | trans | -69.5 | 154 | -172.4 | -63 | -57.7 | 0 | 0 | 0 | 112.6 | E883 D884 R885 | D881-E883 VanDerWaalsContact C-N 3.3Å; D881-E883 PolarHBondContact O-N 3.05Å; D881-D884 WeakPolarHBondContact O-CB 3.43Å; D881-D884 PolarHBondContact O-N 3.28Å; D881-D884 VanDerWaalsContact O-N 3.14Å; D881-R885 PolarHBondContact O-N 3.34Å | ||
| 882 | E | 53.8 | Low | 53.9 | Low | 120 Ų | 120 | 132.3 Ų | 132.3 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.2 | -29.3 | -167.4 | -150.8 | 74.5 | -126.3 | 0 | 0 | 112.8 | R885 E886 | E882-R885 WeakPolarHBondContact O-CB 3.43Å; E882-R885 PolarHBondContact O-N 3.06Å; E882-R885 WeakPolarHBondContact OE1-CD 3.48Å; E882-R885 IonicContact OE1-CZ 2.73Å; E882-R885 IonicContact OE1-NE 3.74Å; E882-R885 IonicContact OE1-NH1 3.27Å; E882-R885 PolarHBondContact OE1-NH1 2.81Å; E882-R885 IonicContact OE2-NH1 3.63Å; E882-E886 PolarHBondContact O-N 3.27Å |
| 883 | E | 54.8 | Low | 52.6 | Low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.9 | -40.8 | 174.6 | -60.2 | -171.1 | 153.1 | 0 | 0 | 112.3 | D881 R885 E886 L887 | D881-E883 VanDerWaalsContact C-N 3.3Å; D881-E883 PolarHBondContact O-N 3.05Å; E883-R885 PolarHBondContact O-N 3.12Å; E883-E886 PolarHBondContact O-N 3.21Å; E883-L887 PolarHBondContact O-N 2.77Å |
| 884 | D | 57.5 | Low | 51.5 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 42% | 0.422 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.5 | -31.9 | -179.7 | -153.2 | 46.2 | 0 | 0 | 0 | 110.5 | Q880 D881 M888 | Q880-D884 HydrophobicContact CG-CB 4.16Å; Q880-D884 WeakPolarHBondContact CG-OD2 3.42Å; Q880-D884 PolarHBondContact NE2-OD2 3.21Å; D881-D884 WeakPolarHBondContact O-CB 3.43Å; D881-D884 PolarHBondContact O-N 3.28Å; D881-D884 VanDerWaalsContact O-N 3.14Å; D884-M888 WeakPolarHBondContact O-CB 3.38Å; D884-M888 PolarHBondContact O-N 3.48Å; D884-M888 VanDerWaalsContact O-N 3.08Å |
| 885 | R | 55 | Low | 50 | Low | 150 Ų | 150 | 125.4 Ų | 125.4 | 57% | 0.566 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.6 | -40.9 | 173.6 | -168.8 | -165.7 | -170 | 159.7 | -0.3 | 112.8 | D881 E882 E883 M888 M889 | D881-R885 PolarHBondContact O-N 3.34Å; E882-R885 WeakPolarHBondContact O-CB 3.43Å; E882-R885 PolarHBondContact O-N 3.06Å; E882-R885 WeakPolarHBondContact OE1-CD 3.48Å; E882-R885 IonicContact OE1-CZ 2.73Å; E882-R885 IonicContact OE1-NE 3.74Å; E882-R885 IonicContact OE1-NH1 3.27Å; E882-R885 PolarHBondContact OE1-NH1 2.81Å; E882-R885 IonicContact OE2-NH1 3.63Å; E883-R885 PolarHBondContact O-N 3.12Å; R885-M888 PolarHBondContact O-N 3.18Å; R885-M889 WeakPolarHBondContact O-CG 3.33Å; R885-M889 PolarHBondContact O-N 2.84Å |
| 886 | E | 54.8 | Low | 48.5 | Very low | 146 Ų | 146 | 124 Ų | 124 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.3 | -42.4 | 173.1 | -71.8 | -151.7 | 144.3 | 0 | 0 | 111.5 | E882 E883 M888 M889 K890 | E882-E886 PolarHBondContact O-N 3.27Å; E883-E886 PolarHBondContact O-N 3.21Å; E886-M888 VanDerWaalsContact C-N 3.31Å; E886-M888 PolarHBondContact O-N 3.1Å; E886-M889 PolarHBondContact O-N 3.1Å; E886-K890 WeakPolarHBondContact O-CB 3.43Å; E886-K890 PolarHBondContact O-N 3.31Å |
| 887 | L | 58.3 | Low | 47.1 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.6 | -43.8 | 176.5 | -153.1 | 80.5 | 0 | 0 | 0 | 111.2 | E883 K890 L891 | E883-L887 PolarHBondContact O-N 2.77Å; L887-K890 PolarHBondContact O-N 2.7Å; L887-L891 WeakPolarHBondContact O-CB 3.41Å; L887-L891 PolarHBondContact O-N 3.36Å |
| 888 | M | 46.7 | Very low | 46.1 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 53% | 0.527 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -63.2 | -43 | 175.7 | -162.6 | 79.8 | 63.9 | 0 | 0 | 112.6 | D884 R885 E886 K890 L891 L892 | D884-M888 WeakPolarHBondContact O-CB 3.38Å; D884-M888 PolarHBondContact O-N 3.48Å; D884-M888 VanDerWaalsContact O-N 3.08Å; R885-M888 PolarHBondContact O-N 3.18Å; E886-M888 VanDerWaalsContact C-N 3.31Å; E886-M888 PolarHBondContact O-N 3.1Å; M888-K890 VanDerWaalsContact C-N 3.33Å; M888-K890 PolarHBondContact O-N 2.85Å; M888-L891 PolarHBondContact O-N 3.34Å; M888-L892 WeakPolarHBondContact O-CB 3.44Å; M888-L892 PolarHBondContact O-N 3.16Å |
| 889 | M | 51.5 | Low | 44.8 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -61.5 | -41.5 | 175.1 | -78.3 | -81.6 | -73.8 | 0 | 0 | 111.6 | R885 E886 L892 G893 | R885-M889 WeakPolarHBondContact O-CG 3.33Å; R885-M889 PolarHBondContact O-N 2.84Å; E886-M889 PolarHBondContact O-N 3.1Å; M889-L892 PolarHBondContact O-N 3.13Å; M889-G893 PolarHBondContact O-N 2.92Å |
| 890 | K | 52.9 | Low | 43.7 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67.6 | -36.2 | 178.3 | -159 | 170.2 | -170.5 | 170.5 | 0 | 112.1 | E886 L887 M888 | E886-K890 WeakPolarHBondContact O-CB 3.43Å; E886-K890 PolarHBondContact O-N 3.31Å; L887-K890 PolarHBondContact O-N 2.7Å; M888-K890 VanDerWaalsContact C-N 3.33Å; M888-K890 PolarHBondContact O-N 2.85Å |
| 891 | L | 47.3 | Very low | 42.9 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -73.4 | -33.6 | 177.3 | -149.6 | 75.8 | 0 | 0 | 0 | 112.9 | L887 M888 G893 | L887-L891 WeakPolarHBondContact O-CB 3.41Å; L887-L891 PolarHBondContact O-N 3.36Å; M888-L891 PolarHBondContact O-N 3.34Å; L891-G893 VanDerWaalsContact C-N 3.33Å |
| 892 | L | 44.4 | Very low | 41.3 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -79.9 | -13.5 | 179.9 | -159.9 | 67.4 | 0 | 0 | 0 | 113.3 | M888 M889 S894 | M888-L892 WeakPolarHBondContact O-CB 3.44Å; M888-L892 PolarHBondContact O-N 3.16Å; M889-L892 PolarHBondContact O-N 3.13Å; L892-S894 PolarHBondContact O-N 2.84Å |
| 893 | G | 38 | Very low | 40.1 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 4.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | M889 L891 | M889-G893 PolarHBondContact O-N 2.92Å; L891-G893 VanDerWaalsContact C-N 3.33Å |
| 894 | S | 35.9 | Very low | 38.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -123.5 | 38.8 | -166.1 | 55.1 | 0 | 0 | 0 | 0 | 115.9 | L892 | L892-S894 PolarHBondContact O-N 2.84Š|
| 895 | A | 28.6 | Very low | 37.3 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -141.8 | 72.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S897 | A895-S897 PolarHBondContact O-N 3.44Š| ||
| 896 | G | 30.1 | Very low | 35.9 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -68 | 121.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 897 | S | 27.1 | Very low | 34.6 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -91.5 | 112.2 | 170.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | A895 | A895-S897 PolarHBondContact O-N 3.44Š| ||
| 898 | T | 27.1 | Very low | 33 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -95.4 | 125.8 | 176.3 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 899 | K | 26.3 | Very low | 31.9 | Very low | 200 Ų | 200 | 144.5 Ų | 144.5 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -155.1 | 163.7 | 160.4 | -117.4 | -172.6 | 177.4 | -171.3 | 0 | 109.4 | ||||
| 900 | E | 26.1 | Very low | 30.7 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 70.9 | 139.3 | -174.4 | -62.2 | 174 | -162.9 | 0 | 0 | 114.1 | ||||
| 901 | E | 27.1 | Very low | 29.4 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | cis | -152.9 | 179.2 | -19.3 | -132 | -173.1 | -169.1 | 0 | 0 | 112 | ||||
| 902 | N | 23.8 | Very low | 28.4 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -80.2 | 146.6 | -179.8 | -91.5 | -58 | 0 | 0 | 0 | 113.4 | ||||
| 903 | P | 28.4 | Very low | 27.5 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | trans | -127.6 | 138.4 | 140.6 | 35.5 | -25.9 | 0 | 0 | 0 | 113.5 | ||||
| 904 | K | 28.1 | Very low | 26.9 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -88.7 | 130 | 174.3 | -68.9 | 177 | 177.9 | 174.2 | 0 | 111.7 | ||||
| 905 | K | 26.4 | Very low | 26.5 | Very low | 214 Ų | 214 | 152.8 Ų | 152.8 | 93% | 0.93 | 84% | 0.843 | S | S | * | * | trans | -179.3 | 112 | 135 | -104.2 | 165.4 | -177.8 | 176.3 | 0 | 115.1 | ||||
| 906 | G | 25.3 | Very low | 26.3 | Very low | 75 Ų | 75 | 154.3 Ų | 154.3 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | 82.2 | 123.4 | 121.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 907 | K | 26.8 | Very low | 26.1 | Very low | 201 Ų | 201 | 162.2 Ų | 162.2 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | trans | 79.2 | 117.4 | 149 | -70.2 | -179.1 | 176 | 174 | 0 | 121.6 | ||||
| 908 | K | 24.4 | Very low | 25.9 | Very low | 207 Ų | 207 | 165.2 Ų | 165.2 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | trans | 59.6 | 120.8 | 136.7 | -65.5 | -171.7 | 173.9 | -171.5 | 0 | 120.4 | ||||
| 909 | G | 25.1 | Very low | 25.9 | Very low | 84 Ų | 84 | 162.6 Ų | 162.6 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | trans | 176.7 | 122.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 910 | K | 25.3 | Very low | 26.3 | Very low | 221 Ų | 221 | 159.1 Ų | 159.1 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | trans | -90.4 | 153.1 | 166.6 | -67.9 | 178.3 | 174.5 | -178.3 | 0 | 109 | ||||
| 911 | G | 25.1 | Very low | 26.4 | Very low | 71 Ų | 71 | 158.7 Ų | 158.7 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 159.6 | 91.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 912 | K | 26.8 | Very low | 26.4 | Very low | 210 Ų | 210 | 160.4 Ų | 160.4 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | 68.3 | 154.3 | 136.1 | -70.9 | -167.2 | 168.9 | -164.4 | 0 | 122.8 | ||||
| 913 | D | 26.6 | Very low | 26.5 | Very low | 152 Ų | 152 | 161.1 Ų | 161.1 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -83.9 | -169.1 | 175.6 | -56 | -95.5 | 0 | 0 | 0 | 114.7 | ||||
| 914 | E | 24.6 | Very low | 26.3 | Very low | 183 Ų | 183 | 159.8 Ų | 159.8 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | 85.2 | 144.5 | 171.7 | -60.2 | -163 | 99.6 | 0 | 0 | 117.7 | ||||
| 915 | V | 26.3 | Very low | 26.3 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 70% | 0.703 | 83% | 0.832 | S | S | * | * | cis | 158.2 | 153.7 | -30 | 148.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 916 | L | 26.3 | Very low | 26.5 | Very low | 126 Ų | 126 | 158.8 Ų | 158.8 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | 71.4 | 114.9 | 164.8 | -87.6 | 165.7 | 0 | 0 | 0 | 121.4 | K918 | L916-K918 HydrophobicContact CD2-CD 4.09Å; L916-K918 HydrophobicContact CD2-CG 4.34Å | ||
| 917 | R | 24.9 | Very low | 26.8 | Very low | 248 Ų | 248 | 161.3 Ų | 161.3 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | -179 | 120.7 | 122.2 | -92.7 | 154.2 | -167.7 | -143 | 2.8 | 107 | |||||
| 918 | K | 24 | Very low | 26.7 | Very low | 186 Ų | 186 | 161 Ų | 161 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | cis | 56 | 129.9 | 49.4 | -80.2 | -172.4 | 176.3 | 179.7 | 0 | 112.3 | L916 | L916-K918 HydrophobicContact CD2-CD 4.09Å; L916-K918 HydrophobicContact CD2-CG 4.34Å | ||
| 919 | A | 25.5 | Very low | 27 | Very low | 87 Ų | 87 | 157.1 Ų | 157.1 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | cis | -158.3 | -160.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 920 | P | 35.8 | Very low | 27 | Very low | 127 Ų | 127 | 161 Ų | 161 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | cis | -135.5 | -172.2 | -2.1 | 43.1 | -23.9 | 0 | 0 | 0 | 116.2 | ||||
| 921 | Q | 27.4 | Very low | 27 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -112.6 | 167 | 174.7 | -59.1 | 168.5 | -57.5 | 0 | 0 | 112.1 | ||||
| 922 | K | 27.2 | Very low | 27 | Very low | 214 Ų | 214 | 161.1 Ų | 161.1 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -152.8 | 165.3 | 139.9 | -118.3 | 175.8 | -177.9 | -178.1 | 0 | 111.9 | ||||
| 923 | Q | 25.3 | Very low | 27 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -141.5 | 154.9 | -165 | -60.2 | 174.4 | -14.2 | 0 | 0 | 112.8 | ||||
| 924 | A | 25.5 | Very low | 26.9 | Very low | 94 Ų | 94 | 159.3 Ų | 159.3 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -177.8 | 154.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 925 | Q | 27 | Very low | 26.8 | Very low | 194 Ų | 194 | 159.2 Ų | 159.2 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | cis | -156.7 | 177.7 | -30.6 | -115.6 | 175.6 | 12.1 | 0 | 0 | 108.1 | ||||
| 926 | R | 30.8 | Very low | 26.6 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 75% | 0.751 | 80% | 0.797 | S | S | * | * | trans | -114.9 | 174.8 | 178.8 | -76.4 | -177.8 | 170.2 | 166.2 | -3.1 | 111.7 | ||||
| 927 | P | 31.3 | Very low | 26.8 | Very low | 129 Ų | 129 | 160.7 Ų | 160.7 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -138.2 | -175.2 | 104 | 37.3 | -24.7 | 0 | 0 | 0 | 115.8 | |||||
| 928 | R | 25.5 | Very low | 26.7 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | -132.3 | 173.4 | 174.4 | -80.2 | -179 | 169.4 | 176.1 | -7.2 | 109 | ||||
| 929 | P | 31.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -128.1 | 157.3 | 112.4 | 24.1 | -9.1 | 0 | 0 | 0 | 112 | |||||
| 930 | Q | 25.3 | Very low | 26.5 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | cis | 104.6 | 105 | -0.1 | -168.8 | 176.9 | -10.5 | 0 | 0 | 117.8 | ||||
| 931 | E | 24.5 | Very low | 26 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -148.6 | 122 | 144.6 | -99.5 | 166.5 | -172.7 | 0 | 0 | 105.9 | ||||
| 932 | V | 25.4 | Very low | 25.8 | Very low | 111 Ų | 111 | 158.8 Ų | 158.8 | 67% | 0.673 | 80% | 0.799 | S | S | * | * | 64.3 | 94.1 | 82.5 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 933 | I | 26 | Very low | 25.7 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | 77.6 | 113 | 55.9 | -57.6 | 170.1 | 0 | 0 | 0 | 114.3 | |||||
| 934 | L | 24.3 | Very low | 25.6 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -154 | 166.7 | 145.8 | -106.4 | 165.6 | 0 | 0 | 0 | 109.4 | ||||
| 935 | K | 23.3 | Very low | 25.5 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | -159.5 | 131.9 | -151.6 | -161.9 | -174.7 | -171.9 | -174 | 0 | 116.5 | ||||
| 936 | K | 21.9 | Very low | 25.4 | Very low | 158 Ų | 158 | 149 Ų | 149 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | 65.8 | 169.6 | 160.3 | -96.1 | -158.4 | 168.2 | -150.1 | 0 | 117.2 | E938 | K936-E938 VanDerWaalsContact CD-OE1 3.26Å; K936-E938 WeakPolarHBondContact CD-OE1 3.37Å; K936-E938 WeakPolarHBondContact CE-OE1 3.31Å; K936-E938 IonicContact NZ-OE1 3.5Å; K936-E938 PolarHBondContact NZ-OE1 2.95Å; K936-E938 IonicContact NZ-OE2 2.65Å; K936-E938 PolarHBondContact NZ-OE2 3.29Å | ||
| 937 | P | 30.8 | Very low | 25.1 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | cis | -129.6 | -168.9 | 8.8 | 42.2 | -24.5 | 0 | 0 | 0 | 117.5 | ||||
| 938 | E | 22.2 | Very low | 24.7 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | trans | -51.4 | 170.5 | -179.7 | -64.8 | 80.4 | -84.5 | 0 | 0 | 120.9 | K936 | K936-E938 VanDerWaalsContact CD-OE1 3.26Å; K936-E938 WeakPolarHBondContact CD-OE1 3.37Å; K936-E938 WeakPolarHBondContact CE-OE1 3.31Å; K936-E938 IonicContact NZ-OE1 3.5Å; K936-E938 PolarHBondContact NZ-OE1 2.95Å; K936-E938 IonicContact NZ-OE2 2.65Å; K936-E938 PolarHBondContact NZ-OE2 3.29Å | ||
| 939 | G | 23.4 | Very low | 24.6 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 121.3 | 109.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 940 | E | 22.8 | Very low | 24.2 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | cis | 85.5 | 139.8 | 39.2 | -64.2 | -165.1 | 147.4 | 0 | 0 | 116 | ||||
| 941 | E | 24.5 | Very low | 24.3 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 76.3 | 122.3 | 172.3 | -66.3 | -172.8 | 161.8 | 0 | 0 | 122.6 | ||||
| 942 | E | 23.5 | Very low | 24.3 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | 54.5 | 152.2 | 141 | -55.3 | -160 | 154.3 | 0 | 0 | 124.2 | ||||
| 943 | G | 24 | Very low | 24.3 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 151 | 111.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 944 | L | 23.7 | Very low | 24.2 | Very low | 177 Ų | 177 | 143 Ų | 143 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | -101.4 | 120 | 177.2 | -83 | 156.1 | 0 | 0 | 0 | 112.3 | ||||
| 945 | A | 24.1 | Very low | 24.3 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 55.9 | 158.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 946 | V | 25.1 | Very low | 24.5 | Very low | 122 Ų | 122 | 140 Ų | 140 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | 97.7 | 108.5 | 157.1 | -168.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 947 | E | 24.2 | Very low | 24.8 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | 65.1 | 128.7 | 146.1 | -67.9 | 171.3 | 169.1 | 0 | 0 | 125.5 | ||||
| 948 | E | 23.7 | Very low | 24.9 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | 34.9 | 127.4 | 142.6 | -53 | -162 | 148.5 | 0 | 0 | 122.9 | ||||
| 949 | G | 22.6 | Very low | 25.2 | Very low | 77 Ų | 77 | 143.4 Ų | 143.4 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | 172.9 | 66.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 950 | A | 22.8 | Very low | 25.5 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | 64 | 167.1 | 162 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 951 | A | 27.2 | Very low | 25.8 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -83.7 | 165.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 952 | P | 24.7 | Very low | 26.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | -133.8 | 155.8 | 106.6 | 38.8 | -31.7 | 0 | 0 | 0 | 116 | |||||
| 953 | E | 25 | Very low | 26.9 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | 18.6 | 138.2 | 152.1 | -56.7 | -176.2 | 141 | 0 | 0 | 122 | ||||
| 954 | Q | 25.3 | Very low | 27.3 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -78.7 | 147.4 | 177.5 | -64.5 | 167 | -108.9 | 0 | 0 | 113 | D956 | Q954-D956 PolarHBondContact NE2-OD1 3.41Å; Q954-D956 VanDerWaalsContact NE2-OD1 3.09Å | ||
| 955 | D | 24.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -137.2 | 104.8 | 153.9 | -161.3 | 12.2 | 0 | 0 | 0 | 107.8 | ||||
| 956 | D | 27.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 132.2 | -158.7 | -68.5 | -47.8 | 0 | 0 | 0 | 113.8 | Q954 | Q954-D956 PolarHBondContact NE2-OD1 3.41Å; Q954-D956 VanDerWaalsContact NE2-OD1 3.09Å | ||
| 957 | K | 28.6 | Very low | 29.1 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -136.4 | 96.9 | 163.9 | -84.7 | -176.4 | 178 | 148.5 | 0 | 113.8 | G959 | K957-G959 PolarHBondContact O-N 3.17Š| ||
| 958 | E | 32.1 | Very low | 29.9 | Very low | 209 Ų | 209 | 135.3 Ų | 135.3 | 98% | 0.977 | 77% | 0.766 | S | S | * | * | trans | 23.4 | 85.3 | 148.6 | -59.4 | -170.6 | 135.2 | 0 | 0 | 116.4 | ||||
| 959 | G | 30.3 | Very low | 30.9 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | -144.5 | 21 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K957 | K957-G959 PolarHBondContact O-N 3.17Š| ||
| 960 | D | 29 | Very low | 31.9 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -136.2 | -171.4 | 179 | -155.5 | -11.4 | 0 | 0 | 0 | 111.6 | ||||
| 961 | D | 29.2 | Very low | 33.3 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 78.4 | 30.8 | -176.9 | -123.1 | 31.2 | 0 | 0 | 0 | 114.5 | K83 | K83-D961 IonicContact NZ-OD2 2.76Š|
| 962 | Q | 35.1 | Very low | 34.7 | Very low | 191 Ų | 191 | 128.7 Ų | 128.7 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -132.8 | 17 | 175.1 | -104.1 | -171.4 | 100.5 | 0 | 0 | 118.7 | ||
| 963 | D | 35.2 | Very low | 36.5 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -138 | 35.4 | 170.3 | -115.7 | -37.8 | 0 | 0 | 0 | 115.7 | ||
| 964 | Q | 32.9 | Very low | 38.4 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | trans | -124.7 | 81.7 | 169.5 | -68.1 | -169.2 | 28.7 | 0 | 0 | 113.6 | ||||
| 965 | D | 35.4 | Very low | 40.8 | Very low | 84 Ų | 84 | 117.5 Ų | 117.5 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -178.1 | 58 | 146.4 | -119.2 | -0.8 | 0 | 0 | 0 | 110.6 | Y30 K67 M69 | Y30-D965 PolarHBondContact OH-OD2 3.16Å; K67-D965 IonicContact NZ-OD1 3.59Å; K67-D965 PolarHBondContact NZ-OD1 3.05Å; K67-D965 IonicContact NZ-OD2 3.81Å; K67-D965 PolarHBondContact NZ-OD2 3.39Å; M69-D965 VanDerWaalsContact CE-O 3.24Å; M69-D965 WeakPolarHBondContact CE-O 3.47Å |
| 966 | N | 40.8 | Very low | 43.2 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -147.6 | 126.5 | 158.9 | -169.9 | 100.7 | 0 | 0 | 0 | 108.9 | M69 | M69-N966 HydrophobicContact CE-CB 3.79Å; M69-N966 WeakPolarHBondContact CE-OD1 3.45Å |
| 967 | P | 35.1 | Very low | 45.7 | Very low | 70 Ų | 70 | 106.2 Ų | 106.2 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | trans | -62.5 | 155.2 | 180 | 24.2 | -32.5 | 0 | 0 | 0 | 112.7 | E971 | P967-E971 HydrophobicContact CB-CB 4.4Å; P967-E971 HydrophobicContact CB-CG 4.19Å; P967-E971 VanDerWaalsContact CB-OE1 3.31Å; P967-E971 WeakPolarHBondContact CB-OE1 3.41Å; P967-E971 WeakPolarHBondContact CB-OE2 3.49Å; P967-E971 VanDerWaalsContact CG-OE2 3.25Å; P967-E971 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 968 | G | 39.5 | Very low | 48.4 | Very low | 52 Ų | 52 | 97.1 Ų | 97.1 | 54% | 0.536 | 53% | 0.532 | S | S | . | . | trans | -74.7 | 176.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E970 E971 | G968-E970 PolarHBondContact O-N 3.44Å; G968-E970 VanDerWaalsContact O-N 3.11Å; G968-E971 PolarHBondContact O-N 3.33Å; G968-E971 VanDerWaalsContact O-N 3.08Å | ||
| 969 | A | 45.3 | Very low | 51 | Low | 47 Ų | 47 | 87.2 Ų | 87.2 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -45.8 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P577 E971 A972 E973 | P577-A969 HydrophobicContact CB-CB 3.74Å; A969-E971 VanDerWaalsContact C-N 3.32Å; A969-E971 PolarHBondContact O-N 2.8Å; A969-A972 WeakPolarHBondContact O-CB 3.18Å; A969-A972 PolarHBondContact O-N 3.04Å; A969-E973 PolarHBondContact O-N 3.14Å |
| 970 | E | 44.2 | Very low | 53.7 | Low | 128 Ų | 128 | 83.4 Ų | 83.4 | 60% | 0.598 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -56.8 | -37.9 | -179.7 | -66.2 | -171 | -155.8 | 0 | 0 | 114.3 | G968 A972 E973 K974 | G968-E970 PolarHBondContact O-N 3.44Å; G968-E970 VanDerWaalsContact O-N 3.11Å; E970-A972 VanDerWaalsContact C-N 3.33Å; E970-E973 PolarHBondContact O-N 2.97Å; E970-K974 VanDerWaalsContact O-CB 3.28Å; E970-K974 WeakPolarHBondContact O-CB 3.49Å; E970-K974 WeakPolarHBondContact O-CD 3.42Å; E970-K974 WeakPolarHBondContact O-CG 3.47Å; E970-K974 PolarHBondContact O-N 3.16Å; E970-K974 IonicContact OE2-NZ 3.46Å; E970-K974 PolarHBondContact OE2-NZ 3.18Å |
| 971 | E | 51.5 | Low | 56.3 | Low | 118 Ų | 118 | 76.2 Ų | 76.2 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.7 | -34.2 | 178.1 | -83 | -170.2 | -151.8 | 0 | 0 | 111.5 | P967 G968 A969 L975 | P967-E971 HydrophobicContact CB-CB 4.4Å; P967-E971 HydrophobicContact CB-CG 4.19Å; P967-E971 VanDerWaalsContact CB-OE1 3.31Å; P967-E971 WeakPolarHBondContact CB-OE1 3.41Å; P967-E971 WeakPolarHBondContact CB-OE2 3.49Å; P967-E971 VanDerWaalsContact CG-OE2 3.25Å; P967-E971 WeakPolarHBondContact CG-OE2 3.42Å; G968-E971 PolarHBondContact O-N 3.33Å; G968-E971 VanDerWaalsContact O-N 3.08Å; A969-E971 VanDerWaalsContact C-N 3.32Å; A969-E971 PolarHBondContact O-N 2.8Å; E971-L975 WeakPolarHBondContact O-CB 3.49Å; E971-L975 PolarHBondContact O-N 3.06Å |
| 972 | A | 57.2 | Low | 59 | Low | 45 Ų | 45 | 74.3 Ų | 74.3 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A969 E970 L975 L976 | A969-A972 WeakPolarHBondContact O-CB 3.18Å; A969-A972 PolarHBondContact O-N 3.04Å; E970-A972 VanDerWaalsContact C-N 3.33Å; A972-L975 PolarHBondContact O-N 3.08Å; A972-L976 WeakPolarHBondContact O-CB 3.4Å; A972-L976 WeakPolarHBondContact O-CD1 3.49Å; A972-L976 WeakPolarHBondContact O-CG 3.45Å; A972-L976 PolarHBondContact O-N 3.27Å |
| 973 | E | 61.4 | Low | 61.5 | Low | 82 Ų | 82 | 65.5 Ų | 65.5 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 176.5 | -68.9 | -173.7 | -175.4 | 0 | 0 | 112.5 | S578 A969 E970 L975 L976 N977 | S578-E973 PolarHBondContact OG-OE1 2.85Å; A969-E973 PolarHBondContact O-N 3.14Å; E970-E973 PolarHBondContact O-N 2.97Å; E973-L975 PolarHBondContact O-N 3.35Å; E973-L976 PolarHBondContact O-N 3.41Å; E973-N977 WeakPolarHBondContact O-CB 3.28Å; E973-N977 VanDerWaalsContact O-CG 3.26Å; E973-N977 PolarHBondContact O-N 2.94Å; E973-N977 PolarHBondContact O-ND2 2.79Å |
| 974 | K | 66.1 | Low | 63.8 | Low | 126 Ų | 126 | 63.8 Ų | 63.8 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 173.9 | -71.5 | 162.8 | -167 | 166.7 | 0 | 111.1 | E970 S978 | E970-K974 VanDerWaalsContact O-CB 3.28Å; E970-K974 WeakPolarHBondContact O-CB 3.49Å; E970-K974 WeakPolarHBondContact O-CD 3.42Å; E970-K974 WeakPolarHBondContact O-CG 3.47Å; E970-K974 PolarHBondContact O-N 3.16Å; E970-K974 IonicContact OE2-NZ 3.46Å; E970-K974 PolarHBondContact OE2-NZ 3.18Å; K974-S978 PolarHBondContact O-N 3.42Å |
| 975 | L | 74.6 | Confident | 66.1 | Low | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -53.2 | 173.9 | 171.4 | 57.1 | 0 | 0 | 0 | 112.6 | Y522 F524 E971 A972 E973 N977 S978 | Y522-L975 HydrophobicContact CD1-CD1 3.92Å; Y522-L975 HydrophobicContact CD1-CD2 3.94Å; Y522-L975 HydrophobicContact CE1-CD1 3.26Å; Y522-L975 HydrophobicContact CE1-CD2 4.1Å; Y522-L975 HydrophobicContact CE1-CG 4.33Å; Y522-L975 HydrophobicContact CE2-CD1 4.27Å; Y522-L975 VanDerWaalsContact CZ-CD1 3.44Å; F524-L975 HydrophobicContact CE1-CD2 3.97Å; E971-L975 WeakPolarHBondContact O-CB 3.49Å; E971-L975 PolarHBondContact O-N 3.06Å; A972-L975 PolarHBondContact O-N 3.08Å; E973-L975 PolarHBondContact O-N 3.35Å; L975-N977 VanDerWaalsContact C-N 3.32Å; L975-N977 PolarHBondContact O-N 3.24Å; L975-S978 WeakPolarHBondContact O-CB 3.49Å; L975-S978 PolarHBondContact O-N 2.84Å; L975-S978 PolarHBondContact O-OG 3.34Å |
| 976 | L | 76.9 | Confident | 68.3 | Low | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | -176.6 | -71 | 164.2 | 0 | 0 | 0 | 112.1 | I531 L537 A972 E973 S978 L979 | I531-L976 HydrophobicContact CD1-CD2 3.5Å; I531-L976 HydrophobicContact CG1-CD2 3.7Å; I531-L976 HydrophobicContact CG2-CD2 4.31Å; L537-L976 HydrophobicContact CB-CD2 4.39Å; A972-L976 WeakPolarHBondContact O-CB 3.4Å; A972-L976 WeakPolarHBondContact O-CD1 3.49Å; A972-L976 WeakPolarHBondContact O-CG 3.45Å; A972-L976 PolarHBondContact O-N 3.27Å; E973-L976 PolarHBondContact O-N 3.41Å; L976-S978 PolarHBondContact O-N 3.03Å; L976-L979 PolarHBondContact O-N 3.44Å |
| 977 | N | 79.6 | Confident | 70.4 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.7 | 176.6 | -67.6 | -35.9 | 0 | 0 | 0 | 113.7 | N535 E973 L975 | N535-N977 PolarHBondContact ND2-OD1 2.87Å; N535-N977 VanDerWaalsContact ND2-OD1 3.15Å; E973-N977 WeakPolarHBondContact O-CB 3.28Å; E973-N977 VanDerWaalsContact O-CG 3.26Å; E973-N977 PolarHBondContact O-N 2.94Å; E973-N977 PolarHBondContact O-ND2 2.79Å; L975-N977 VanDerWaalsContact C-N 3.32Å; L975-N977 PolarHBondContact O-N 3.24Å |
| 978 | S | 84.6 | Confident | 72.8 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.1 | 175.8 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | K655 V656 K974 L975 L976 | K655-S978 WeakPolarHBondContact CD-O 3.38Å; K655-S978 VanDerWaalsContact CD-OG 3.32Å; K655-S978 WeakPolarHBondContact CD-OG 3.22Å; K655-S978 VanDerWaalsContact CE-OG 3.23Å; K655-S978 WeakPolarHBondContact CE-OG 3.49Å; V656-S978 PolarHBondContact N-O 3Å; K974-S978 PolarHBondContact O-N 3.42Å; L975-S978 WeakPolarHBondContact O-CB 3.49Å; L975-S978 PolarHBondContact O-N 2.84Å; L975-S978 PolarHBondContact O-OG 3.34Å; L976-S978 PolarHBondContact O-N 3.03Å |
| 979 | L | 86.6 | Confident | 75 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.5 | 178.8 | -63.3 | 173.1 | 0 | 0 | 0 | 109.4 | Y522 I531 L653 F654 K655 R668 L976 | Y522-L979 HydrophobicContact CE2-CD1 4.43Å; Y522-L979 HydrophobicContact CE2-CD2 4.36Å; I531-L979 HydrophobicContact CD1-CD1 4.32Å; L653-L979 HydrophobicContact CB-CB 4.43Å; L653-L979 HydrophobicContact CD1-CB 4.22Å; L653-L979 HydrophobicContact CD1-CD1 4.38Å; L653-L979 HydrophobicContact CD2-CB 4.25Å; F654-L979 WeakPolarHBondContact O-CA 3.3Å; K655-L979 HydrophobicContact CB-CD2 3.96Å; K655-L979 HydrophobicContact CD-CD2 4.26Å; R668-L979 VanDerWaalsContact CZ-O 3.31Å; R668-L979 PolarHBondContact NH1-O 3.42Å; R668-L979 PolarHBondContact NH2-O 2.59Å; L976-L979 PolarHBondContact O-N 3.44Å |
| 980 | T | 86.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.1 | 179.9 | -176 | 0 | 0 | 0 | 0 | 113.4 | L653 F654 V656 H664 E667 Q982 P983 | L653-T980 WeakPolarHBondContact CA-O 3.44Å; L653-T980 VanDerWaalsContact CD2-C 3.49Å; L653-T980 WeakPolarHBondContact CD2-O 3.29Å; F654-T980 HydrophobicContact CB-CG2 4.12Å; F654-T980 PolarHBondContact N-O 2.86Å; F654-T980 PolarHBondContact O-N 2.93Å; V656-T980 HydrophobicContact CG1-CG2 3.7Å; H664-T980 PolarHBondContact CE1-OG1 2.9Å; H664-T980 WeakPolarHBondContact ND1-CB 3.46Å; H664-T980 PolarHBondContact ND1-OG1 2.84Å; H664-T980 VanDerWaalsContact ND1-OG1 3.09Å; E667-T980 VanDerWaalsContact OE2-CA 3.28Å; E667-T980 WeakPolarHBondContact OE2-CA 3.46Å; E667-T980 VanDerWaalsContact OE2-CB 3.26Å; E667-T980 WeakPolarHBondContact OE2-CB 3.1Å; E667-T980 PolarHBondContact OE2-OG1 3.27Å; T980-Q982 PolarHBondContact OG1-N 2.93Å; T980-Q982 PolarHBondContact OG1-O 3.19Å; T980-P983 HydrophobicContact CG2-CB 4.27Å |
| 981 | G | 84.5 | Confident | 79 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -94.8 | -7.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E667 K1006 | E667-G981 PolarHBondContact OE1-N 3.34Å; G981-K1006 PolarHBondContact O-N 3.45Å |
| 982 | Q | 86.8 | Confident | 80.8 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -129.4 | 66.5 | -175 | -65.5 | -173.2 | -17.8 | 0 | 0 | 111.1 | H664 T980 H984 N1004 | H664-Q982 PolarHBondContact CE1-O 2.87Å; T980-Q982 PolarHBondContact OG1-N 2.93Å; T980-Q982 PolarHBondContact OG1-O 3.19Å; Q982-H984 PolarHBondContact O-N 3.03Å; Q982-N1004 WeakPolarHBondContact CG-O 3.49Å; Q982-N1004 PolarHBondContact NE2-O 3.49Å |
| 983 | P | 85.9 | Confident | 82.4 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | trans | -60.9 | 126.2 | 179.8 | 27 | -35.7 | 0 | 0 | 0 | 111.7 | F654 T980 L989 K1006 | F654-P983 HydrophobicContact CD2-CB 4.29Å; F654-P983 HydrophobicContact CD2-CG 3.74Å; F654-P983 HydrophobicContact CE2-CG 3.77Å; F654-P983 HydrophobicContact CG-CB 4.48Å; F654-P983 HydrophobicContact CG-CG 4.31Å; F654-P983 HydrophobicContact CZ-CG 4.37Å; T980-P983 HydrophobicContact CG2-CB 4.27Å; P983-L989 HydrophobicContact CB-CD1 3.79Å; P983-L989 HydrophobicContact CB-CD2 3.72Å; P983-L989 HydrophobicContact CB-CG 4.38Å; P983-L989 HydrophobicContact CG-CD1 4.42Å; P983-K1006 HydrophobicContact CG-CD 4.26Å | ||
| 984 | H | 83.4 | Confident | 83.8 | Confident | 97 Ų | 97 | 40.2 Ų | 40.2 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | trans | -75.8 | 149.9 | 175.7 | -163.2 | -111.5 | 0 | 0 | 0 | 110.2 | Q982 E986 D987 | Q982-H984 PolarHBondContact O-N 3.03Å; H984-E986 PolarHBondContact O-N 2.96Å; H984-E986 VanDerWaalsContact O-N 3.08Å; H984-D987 WeakPolarHBondContact CB-OD2 3.2Å; H984-D987 PolarHBondContact N-OD2 3.14Å; H984-D987 PolarHBondContact O-N 2.8Å | ||
| 985 | P | 81 | Confident | 85 | Confident | 120 Ų | 120 | 34.2 Ų | 34.2 | 78% | 0.779 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.6 | -179.6 | -28.7 | 37.4 | 0 | 0 | 0 | 115.2 | ||
| 986 | E | 83.1 | Confident | 85.9 | Confident | 128 Ų | 128 | 32.5 Ų | 32.5 | 60% | 0.598 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -4.1 | 178.7 | -66.2 | 179.7 | -166.7 | 0 | 0 | 114.5 | R663 H984 | R663-E986 IonicContact CZ-OE2 2.7Å; R663-E986 VanDerWaalsContact NH1-CB 3.32Å; R663-E986 IonicContact NH1-OE2 3.53Å; R663-E986 PolarHBondContact NH1-OE2 3.11Å; R663-E986 IonicContact NH2-OE2 3.45Å; R663-E986 PolarHBondContact NH2-OE2 3.29Å; H984-E986 PolarHBondContact O-N 2.96Å; H984-E986 VanDerWaalsContact O-N 3.08Å |
| 987 | D | 84.9 | Confident | 86.6 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | trans | -84 | 134.1 | -171.5 | -66.2 | -23.6 | 0 | 0 | 0 | 112.9 | V656 C660 R663 H664 H984 L989 | V656-D987 HydrophobicContact CG1-CB 4.23Å; C660-D987 HydrophobicContact CB-CB 4.43Å; R663-D987 VanDerWaalsContact CD-OD1 3.31Å; R663-D987 WeakPolarHBondContact CD-OD1 3.47Å; R663-D987 IonicContact CZ-OD1 3.97Å; R663-D987 IonicContact NE-OD1 3.66Å; R663-D987 IonicContact NH1-OD1 3.02Å; R663-D987 PolarHBondContact NH1-OD1 3.49Å; H664-D987 IonicContact CD2-OD2 2.79Å; H664-D987 IonicContact CE1-OD2 3.81Å; H664-D987 PolarHBondContact CE1-OD2 2.71Å; H664-D987 IonicContact NE2-OD2 3.8Å; H664-D987 PolarHBondContact NE2-OD2 2.64Å; H984-D987 WeakPolarHBondContact CB-OD2 3.2Å; H984-D987 PolarHBondContact N-OD2 3.14Å; H984-D987 PolarHBondContact O-N 2.8Å; D987-L989 HydrophobicContact CB-CD2 3.88Å; D987-L989 PolarHBondContact O-N 2.88Å | ||
| 988 | V | 84.8 | Confident | 87.3 | Confident | 84 Ų | 84 | 29.9 Ų | 29.9 | 51% | 0.509 | 16% | 0.16 | S | C | . | . | trans | -77 | 92.4 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | D657 L990 | D657-V988 HydrophobicContact CB-CB 3.88Å; D657-V988 HydrophobicContact CB-CG1 4.14Å; D657-V988 PolarHBondContact N-O 2.8Å; V988-L990 HydrophobicContact CG1-CD2 4.33Å; V988-L990 PolarHBondContact O-N 2.82Å | ||
| 989 | L | 87 | Confident | 87.6 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.3 | -179.7 | -48.3 | -175.6 | 0 | 0 | 0 | 111.2 | F654 V656 P983 D987 R1038 E1039 L1042 | F654-L989 HydrophobicContact CB-CD2 4.23Å; F654-L989 HydrophobicContact CD1-CD1 3.89Å; F654-L989 HydrophobicContact CE1-CD1 4.35Å; F654-L989 HydrophobicContact CG-CD1 4.31Å; V656-L989 HydrophobicContact CG1-CD2 3.97Å; P983-L989 HydrophobicContact CB-CD1 3.79Å; P983-L989 HydrophobicContact CB-CD2 3.72Å; P983-L989 HydrophobicContact CB-CG 4.38Å; P983-L989 HydrophobicContact CG-CD1 4.42Å; D987-L989 HydrophobicContact CB-CD2 3.88Å; D987-L989 PolarHBondContact O-N 2.88Å; L989-R1038 HydrophobicContact CB-CG 4.18Å; L989-R1038 VanDerWaalsContact O-CZ 3.26Å; L989-R1038 PolarHBondContact O-NE 3.38Å; L989-R1038 PolarHBondContact O-NH2 3.27Å; L989-E1039 HydrophobicContact CD1-CG 3.86Å; L989-L1042 HydrophobicContact CB-CD1 3.56Å; L989-L1042 HydrophobicContact CD1-CD1 4.17Å |
| 990 | L | 85.2 | Confident | 87.7 | Confident | 49 Ų | 49 | 34.5 Ų | 34.5 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -57.6 | -176.6 | -60.9 | -177.6 | 0 | 0 | 0 | 112.2 | K655 D657 V988 R1038 | K655-L990 HydrophobicContact CG-CB 4.35Å; K655-L990 HydrophobicContact CG-CD1 4.19Å; K655-L990 PolarHBondContact O-N 3.4Å; D657-L990 HydrophobicContact CB-CD2 4.37Å; D657-L990 HydrophobicContact CB-CG 4.44Å; V988-L990 HydrophobicContact CG1-CD2 4.33Å; V988-L990 PolarHBondContact O-N 2.82Å; L990-R1038 PolarHBondContact O-NH2 3.13Å |
| 991 | F | 87.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.9 | 176.6 | 61.6 | -96 | 0 | 0 | 0 | 111.7 | I515 R519 Y522 K655 V993 | I515-F991 HydrophobicContact CG2-CB 4.17Å; R519-F991 HydrophobicContact CB-CB 4.1Å; R519-F991 HydrophobicContact CB-CD1 4.22Å; R519-F991 HydrophobicContact CB-CD2 4.25Å; R519-F991 HydrophobicContact CB-CG 3.95Å; R519-F991 HydrophobicContact CG-CD2 3.85Å; R519-F991 HydrophobicContact CG-CE2 4.11Å; R519-F991 HydrophobicContact CG-CG 4.09Å; Y522-F991 HydrophobicContact CE2-CE2 4.09Å; Y522-F991 HydrophobicContact CE2-CZ 4.04Å; K655-F991 HydrophobicContact CB-CD1 4.1Å; K655-F991 HydrophobicContact CB-CD2 4.19Å; K655-F991 HydrophobicContact CB-CE1 3.87Å; K655-F991 HydrophobicContact CB-CE2 3.96Å; K655-F991 HydrophobicContact CB-CG 4.26Å; K655-F991 HydrophobicContact CB-CZ 3.8Å; K655-F991 HydrophobicContact CG-CD1 4.33Å; K655-F991 HydrophobicContact CG-CE1 3.81Å; K655-F991 HydrophobicContact CG-CZ 3.98Å; K655-F991 PolarHBondContact N-O 2.99Å; F991-V993 HydrophobicContact CD2-CG2 3.8Å; F991-V993 HydrophobicContact CE2-CG2 3.63Å |
| 992 | A | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 146.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F652 L653 F654 L1042 | F652-A992 HydrophobicContact CB-CB 4.46Å; F652-A992 HydrophobicContact CD1-CB 4Å; L653-A992 CarbonylContact O-C 3.57Å; L653-A992 WeakPolarHBondContact O-CA 3.13Å; F654-A992 HydrophobicContact CD1-CB 3.88Å; F654-A992 HydrophobicContact CE1-CB 4.02Å; A992-L1042 HydrophobicContact CB-CB 3.87Å; A992-L1042 HydrophobicContact CB-CD1 4.36Å |
| 993 | V | 89.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.7 | -178.7 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | E525 W529 F652 L653 F991 V995 | E525-V993 HydrophobicContact CG-CG1 4.44Å; W529-V993 HydrophobicContact CH2-CG1 4.16Å; W529-V993 HydrophobicContact CZ2-CG1 3.69Å; F652-V993 VanDerWaalsContact CA-O 3.32Å; F652-V993 WeakPolarHBondContact CA-O 3.35Å; L653-V993 PolarHBondContact N-O 3.29Å; L653-V993 PolarHBondContact O-N 3.29Å; F991-V993 HydrophobicContact CD2-CG2 3.8Å; F991-V993 HydrophobicContact CE2-CG2 3.63Å; V993-V995 PolarHBondContact O-N 2.93Å |
| 994 | P | 91.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.3 | -179.2 | 30.1 | -34.1 | 0 | 0 | 0 | 111.3 | F650 F652 V1046 D1050 L1051 | F650-P994 HydrophobicContact CE2-CB 4.1Å; F650-P994 HydrophobicContact CZ-CB 4.15Å; F652-P994 HydrophobicContact CD1-CB 4.21Å; F652-P994 HydrophobicContact CE1-CB 3.94Å; P994-V1046 HydrophobicContact CG-CG1 3.88Å; P994-D1050 HydrophobicContact CG-CB 4.25Å; P994-L1051 HydrophobicContact CB-CD2 4.14Å |
| 995 | V | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.2 | -177.8 | 179.5 | 0 | 0 | 0 | 0 | 110 | W529 F530 F650 S651 L653 V993 A997 | W529-V995 HydrophobicContact CH2-CG2 3.68Å; W529-V995 HydrophobicContact CZ2-CG2 4.08Å; W529-V995 HydrophobicContact CZ3-CG2 4.28Å; F530-V995 HydrophobicContact CB-CG1 4.39Å; F650-V995 WeakPolarHBondContact CA-O 3.45Å; F650-V995 WeakPolarHBondContact CD2-O 3.46Å; S651-V995 PolarHBondContact N-O 3.1Å; S651-V995 PolarHBondContact O-N 2.67Å; L653-V995 HydrophobicContact CB-CG2 4.17Å; L653-V995 HydrophobicContact CD1-CG2 3.86Å; L653-V995 HydrophobicContact CG-CG2 3.89Å; V993-V995 PolarHBondContact O-N 2.93Å; V995-A997 HydrophobicContact CG1-CB 4.16Å |
| 996 | C | 92.4 | Very high | 88 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 112 | 170.6 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | G649 F650 N1054 | G649-C996 VanDerWaalsContact O-CA 3.3Å; G649-C996 WeakPolarHBondContact O-CA 3.45Å; G649-C996 PolarHBondContact O-SG 3.09Å; G649-C996 VanDerWaalsContact O-SG 3.4Å; F650-C996 HydrophobicContact CD2-CB 4.41Å; C996-N1054 HydrophobicContact CB-CB 4.05Å; C996-N1054 WeakPolarHBondContact CB-O 3.41Å; C996-N1054 PolarHBondContact SG-O 3.4Å |
| 997 | A | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 171.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F530 M648 G649 V995 A1001 L1002 | F530-A997 HydrophobicContact CB-CB 3.51Å; F530-A997 HydrophobicContact CD2-CB 3.84Å; F530-A997 HydrophobicContact CG-CB 3.83Å; M648-A997 CarbonylContact C-O 3.55Å; M648-A997 WeakPolarHBondContact CA-O 3.48Å; M648-A997 WeakPolarHBondContact CE-O 3.46Å; G649-A997 PolarHBondContact N-O 2.83Å; G649-A997 PolarHBondContact O-N 3.15Å; V995-A997 HydrophobicContact CG1-CB 4.16Å; A997-A1001 HydrophobicContact CB-CB 4.25Å; A997-L1002 HydrophobicContact CB-CD1 4.1Å; A997-L1002 HydrophobicContact CB-CD2 4.15Å; A997-L1002 HydrophobicContact CB-CG 3.98Å |
| 998 | P | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 144.7 | 166.4 | -23.2 | 35.2 | 0 | 0 | 0 | 110.6 | F530 E589 T592 M593 T1000 A1001 | F530-P998 HydrophobicContact CE2-CG 4.11Å; F530-P998 HydrophobicContact CZ-CG 4Å; E589-P998 HydrophobicContact CB-CB 4.39Å; E589-P998 HydrophobicContact CB-CG 3.98Å; E589-P998 HydrophobicContact CG-CB 4.3Å; E589-P998 HydrophobicContact CG-CG 4.42Å; E589-P998 WeakPolarHBondContact O-CG 3.41Å; T592-P998 HydrophobicContact CG2-CB 4.06Å; T592-P998 HydrophobicContact CG2-CG 4.41Å; M593-P998 HydrophobicContact CB-CG 4.49Å; P998-T1000 PolarHBondContact O-N 3.39Å; P998-A1001 WeakPolarHBondContact O-CB 3.26Å; P998-A1001 PolarHBondContact O-N 3Å; P998-A1001 VanDerWaalsContact O-N 3.13Å |
| 999 | Y | 91.1 | Very high | 88.8 | Confident | 37 Ų | 37 | 19.6 Ų | 19.6 | 15% | 0.145 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -61.4 | -32.9 | -175.8 | -173.2 | -106 | 0 | 0 | 0 | 112.6 | M647 A1001 L1002 S1003 K1010 | M647-Y999 PolarHBondContact O-N 2.85Å; Y999-A1001 VanDerWaalsContact C-N 3.33Å; Y999-A1001 PolarHBondContact O-N 3.08Å; Y999-L1002 CarbonylContact O-C 3.58Å; Y999-L1002 PolarHBondContact O-N 3.31Å; Y999-S1003 PolarHBondContact O-N 2.77Å; Y999-K1010 HydrophobicContact CD2-CB 4.03Å; Y999-K1010 HydrophobicContact CD2-CG 4.2Å; Y999-K1010 HydrophobicContact CE2-CB 3.79Å; Y999-K1010 HydrophobicContact CE2-CG 4.26Å; Y999-K1010 HydrophobicContact CG-CG 4.46Å |
| 1000 | T | 88.9 | Confident | 89.1 | Confident | 68 Ų | 68 | 20.7 Ų | 20.7 | 42% | 0.417 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -66 | -27.4 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | R585 E589 P998 L1002 S1003 | R585-T1000 PolarHBondContact NH2-O 3.11Å; E589-T1000 WeakPolarHBondContact CG-OG1 3.32Å; E589-T1000 VanDerWaalsContact OE1-C 3.31Å; E589-T1000 PolarHBondContact OE1-OG1 3.5Å; P998-T1000 PolarHBondContact O-N 3.39Å; T1000-L1002 VanDerWaalsContact C-N 3.26Å; T1000-S1003 PolarHBondContact O-OG 3.24Å |
| 1001 | A | 87.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -74.1 | -23.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F530 E589 A997 P998 Y999 Y1005 | F530-A1001 HydrophobicContact CD2-CB 4Å; F530-A1001 HydrophobicContact CE2-CB 4.06Å; E589-A1001 HydrophobicContact CG-CB 4.42Å; E589-A1001 WeakPolarHBondContact OE1-CA 3.22Å; E589-A1001 PolarHBondContact OE1-N 2.93Å; E589-A1001 WeakPolarHBondContact OE2-CB 3.24Å; A997-A1001 HydrophobicContact CB-CB 4.25Å; P998-A1001 WeakPolarHBondContact O-CB 3.26Å; P998-A1001 PolarHBondContact O-N 3Å; P998-A1001 VanDerWaalsContact O-N 3.13Å; Y999-A1001 VanDerWaalsContact C-N 3.33Å; Y999-A1001 PolarHBondContact O-N 3.08Å; A1001-Y1005 WeakPolarHBondContact O-CE1 3.47Å |
| 1002 | L | 87.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -100.3 | 5.4 | -177.4 | -60.7 | 176 | 0 | 0 | 0 | 113.1 | G649 A997 Y999 T1000 N1004 Y1005 K1008 | G649-L1002 VanDerWaalsContact C-CD1 3.41Å; G649-L1002 WeakPolarHBondContact O-CD1 3.37Å; A997-L1002 HydrophobicContact CB-CD1 4.1Å; A997-L1002 HydrophobicContact CB-CD2 4.15Å; A997-L1002 HydrophobicContact CB-CG 3.98Å; Y999-L1002 CarbonylContact O-C 3.58Å; Y999-L1002 PolarHBondContact O-N 3.31Å; T1000-L1002 VanDerWaalsContact C-N 3.26Å; L1002-N1004 PolarHBondContact O-N 3.09Å; L1002-Y1005 HydrophobicContact CB-CD1 4.31Å; L1002-Y1005 HydrophobicContact CD2-CD1 3.78Å; L1002-Y1005 HydrophobicContact CD2-CD2 3.91Å; L1002-Y1005 HydrophobicContact CD2-CE1 3.68Å; L1002-Y1005 HydrophobicContact CD2-CE2 3.81Å; L1002-Y1005 HydrophobicContact CD2-CG 3.88Å; L1002-Y1005 WeakPolarHBondContact O-CB 3.38Å; L1002-Y1005 PolarHBondContact O-N 3.11Å; L1002-K1008 VanDerWaalsContact O-CD 3.3Å; L1002-K1008 WeakPolarHBondContact O-CD 3.47Å |
| 1003 | S | 82 | Confident | 89.9 | Confident | 32 Ų | 32 | 20.7 Ų | 20.7 | 22% | 0.224 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -42.4 | -179.1 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | Y999 T1000 Y1005 K1008 | Y999-S1003 PolarHBondContact O-N 2.77Å; T1000-S1003 PolarHBondContact O-OG 3.24Å; S1003-Y1005 VanDerWaalsContact C-N 3.33Å; S1003-Y1005 PolarHBondContact O-N 2.69Å; S1003-K1008 PolarHBondContact O-NZ 2.94Å |
| 1004 | N | 82.3 | Confident | 89.9 | Confident | 57 Ų | 57 | 21.7 Ų | 21.7 | 31% | 0.305 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.2 | -178 | -62.5 | 11.3 | 0 | 0 | 0 | 113.4 | Q982 L1002 | Q982-N1004 WeakPolarHBondContact CG-O 3.49Å; Q982-N1004 PolarHBondContact NE2-O 3.49Å; L1002-N1004 PolarHBondContact O-N 3.09Å |
| 1005 | Y | 88 | Confident | 89.7 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | trans | -77.7 | 129.4 | -169 | -76.8 | 59.9 | 0 | 0 | 0 | 112 | S651 L653 A1001 L1002 S1003 H1007 | S651-Y1005 VanDerWaalsContact OG-CD2 3.31Å; S651-Y1005 WeakPolarHBondContact OG-CD2 3.36Å; L653-Y1005 HydrophobicContact CD2-CE2 3.59Å; L653-Y1005 WeakPolarHBondContact CD2-OH 3.39Å; L653-Y1005 HydrophobicContact CG-CE2 3.9Å; A1001-Y1005 WeakPolarHBondContact O-CE1 3.47Å; L1002-Y1005 HydrophobicContact CB-CD1 4.31Å; L1002-Y1005 HydrophobicContact CD2-CD1 3.78Å; L1002-Y1005 HydrophobicContact CD2-CD2 3.91Å; L1002-Y1005 HydrophobicContact CD2-CE1 3.68Å; L1002-Y1005 HydrophobicContact CD2-CE2 3.81Å; L1002-Y1005 HydrophobicContact CD2-CG 3.88Å; L1002-Y1005 WeakPolarHBondContact O-CB 3.38Å; L1002-Y1005 PolarHBondContact O-N 3.11Å; S1003-Y1005 VanDerWaalsContact C-N 3.33Å; S1003-Y1005 PolarHBondContact O-N 2.69Å; Y1005-H1007 VanDerWaalsContact C-N 3.29Å; Y1005-H1007 PolarHBondContact O-N 2.98Å | ||
| 1006 | K | 86.4 | Confident | 89.7 | Confident | 70 Ų | 70 | 30 Ų | 30 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -54.8 | -42.1 | 178.6 | -178.3 | -179.3 | 178 | -176.8 | 0 | 112.6 | G981 P983 E1034 E1039 | G981-K1006 PolarHBondContact O-N 3.45Å; P983-K1006 HydrophobicContact CG-CD 4.26Å; K1006-E1034 VanDerWaalsContact CE-O 3.28Å; K1006-E1034 WeakPolarHBondContact CE-O 3.45Å; K1006-E1034 PolarHBondContact NZ-O 2.85Å; K1006-E1039 IonicContact NZ-OE1 2.68Å; K1006-E1039 PolarHBondContact NZ-OE1 3.12Å; K1006-E1039 IonicContact NZ-OE2 3.71Å; K1006-E1039 PolarHBondContact NZ-OE2 3.47Å |
| 1007 | H | 88.4 | Confident | 89.6 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -112.8 | 74.7 | -175 | -68.9 | -67.3 | 0 | 0 | 0 | 111.4 | S651 Y1005 F1029 E1039 F1043 | S651-H1007 WeakPolarHBondContact CA-O 3.42Å; S651-H1007 VanDerWaalsContact CB-O 3.28Å; S651-H1007 WeakPolarHBondContact CB-O 3.12Å; S651-H1007 PolarHBondContact OG-O 3.04Å; Y1005-H1007 VanDerWaalsContact C-N 3.29Å; Y1005-H1007 PolarHBondContact O-N 2.98Å; H1007-F1029 HydrophobicContact CB-CD1 3.82Å; H1007-F1029 HydrophobicContact CB-CD2 4.44Å; H1007-F1029 HydrophobicContact CB-CE1 3.98Å; H1007-F1029 HydrophobicContact CB-CG 4.07Å; H1007-F1029 HydrophobicContact CB-CZ 4.35Å; H1007-F1029 AromaticContact ND1-CD1 3.99Å; H1007-F1029 WeakPolarHBondContact O-CE1 3.21Å; H1007-F1029 WeakPolarHBondContact O-CZ 3.26Å; H1007-E1039 IonicContact CD2-OE2 3.77Å; H1007-E1039 IonicContact CE1-OE2 3.46Å; H1007-E1039 IonicContact NE2-OE2 2.76Å; H1007-E1039 PolarHBondContact NE2-OE2 3.42Å; H1007-F1043 HydrophobicContact CB-CZ 4.34Å; H1007-F1043 AromaticContact CD2-CZ 3.7Å; H1007-F1043 AromaticContact CG-CZ 3.82Å; H1007-F1043 AromaticContact NE2-CZ 3.96Å |
| 1008 | K | 90.6 | Very high | 89.4 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | trans | -110.5 | 144 | -178.2 | 65 | -173.3 | 179.7 | 179.8 | 0 | 113.4 | L1002 S1003 | L1002-K1008 VanDerWaalsContact O-CD 3.3Å; L1002-K1008 WeakPolarHBondContact O-CD 3.47Å; S1003-K1008 PolarHBondContact O-NZ 2.94Å | ||
| 1009 | V | 91.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.3 | 162.4 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | G649 F650 L1011 A1025 F1029 V1061 A1063 | G649-V1009 CarbonylContact C-O 3.51Å; G649-V1009 WeakPolarHBondContact CA-O 3.23Å; F650-V1009 HydrophobicContact CB-CG2 3.86Å; F650-V1009 HydrophobicContact CD1-CG2 4.44Å; F650-V1009 PolarHBondContact N-O 3.03Å; F650-V1009 PolarHBondContact O-N 3.42Å; V1009-L1011 HydrophobicContact CG2-CD2 4.31Å; V1009-A1025 HydrophobicContact CG1-CB 4.15Å; V1009-A1025 HydrophobicContact CG2-CB 3.72Å; V1009-F1029 HydrophobicContact CG1-CE1 3.61Å; V1009-F1029 HydrophobicContact CG1-CZ 3.75Å; V1009-F1029 HydrophobicContact CG2-CZ 4.49Å; V1009-V1061 HydrophobicContact CB-CG1 3.96Å; V1009-V1061 HydrophobicContact CG1-CG1 4.37Å; V1009-V1061 HydrophobicContact CG2-CG1 3.87Å; V1009-A1063 HydrophobicContact CB-CB 4.12Å; V1009-A1063 HydrophobicContact CG1-CB 3.67Å |
| 1010 | K | 92.8 | Very high | 89.1 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128.3 | 177.2 | -168.9 | 173.2 | -179 | 177.9 | 0 | 108.9 | D690 Y999 S1062 | D690-K1010 IonicContact OD2-NZ 3.41Å; D690-K1010 PolarHBondContact OD2-NZ 3.31Å; Y999-K1010 HydrophobicContact CD2-CB 4.03Å; Y999-K1010 HydrophobicContact CD2-CG 4.2Å; Y999-K1010 HydrophobicContact CE2-CB 3.79Å; Y999-K1010 HydrophobicContact CE2-CG 4.26Å; Y999-K1010 HydrophobicContact CG-CG 4.46Å; K1010-S1062 PolarHBondContact N-O 3.18Å; K1010-S1062 PolarHBondContact O-N 3.04Å |
| 1011 | L | 93 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.1 | 178.6 | -64.4 | -175.8 | 0 | 0 | 0 | 110.1 | M648 F650 V1009 I1055 V1059 K1060 V1061 | M648-L1011 HydrophobicContact CB-CB 4.18Å; M648-L1011 PolarHBondContact N-O 2.62Å; M648-L1011 VanDerWaalsContact N-O 3.1Å; M648-L1011 WeakPolarHBondContact O-CA 3.2Å; M648-L1011 WeakPolarHBondContact O-CB 3.39Å; M648-L1011 PolarHBondContact O-N 2.98Å; M648-L1011 VanDerWaalsContact O-O 3.1Å; F650-L1011 HydrophobicContact CB-CD1 3.84Å; F650-L1011 HydrophobicContact CB-CG 4.29Å; V1009-L1011 HydrophobicContact CG2-CD2 4.31Å; L1011-I1055 HydrophobicContact CD1-CG1 4.4Å; L1011-I1055 HydrophobicContact CD1-CG2 4.1Å; L1011-V1059 HydrophobicContact CD2-CG2 4.27Å; L1011-K1060 WeakPolarHBondContact CA-O 3.05Å; L1011-V1061 HydrophobicContact CD2-CB 4.36Å; L1011-V1061 HydrophobicContact CD2-CG1 4.31Å; L1011-V1061 HydrophobicContact CD2-CG2 3.85Å |
| 1012 | T | 93.2 | Very high | 89.3 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 160.8 | 176.8 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | W601 M647 G1014 V1059 K1060 | W601-T1012 WeakPolarHBondContact CZ2-O 3.42Å; M647-T1012 HydrophobicContact CG-CG2 4.35Å; T1012-G1014 PolarHBondContact O-N 3.27Å; T1012-V1059 CarbonylContact O-C 3.53Å; T1012-V1059 VanDerWaalsContact O-CA 3.32Å; T1012-V1059 WeakPolarHBondContact O-CA 3.42Å; T1012-K1060 PolarHBondContact N-O 2.94Å; T1012-K1060 VanDerWaalsContact N-O 3.1Å; T1012-K1060 PolarHBondContact O-N 3.45Å |
| 1013 | P | 92.6 | Very high | 89.4 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 126.3 | 176.2 | -30.9 | 36.8 | 0 | 0 | 0 | 113.3 | W601 K604 L646 | W601-P1013 HydrophobicContact CD2-CG 3.93Å; W601-P1013 HydrophobicContact CE3-CG 4.09Å; W601-P1013 HydrophobicContact CG-CG 4.42Å; W601-P1013 HydrophobicContact CH2-CG 4.27Å; W601-P1013 HydrophobicContact CZ2-CB 4.49Å; W601-P1013 HydrophobicContact CZ2-CG 4.08Å; W601-P1013 HydrophobicContact CZ3-CG 4.27Å; W601-P1013 WeakPolarHBondContact O-CB 3.48Å; K604-P1013 HydrophobicContact CD-CB 4.45Å; K604-P1013 HydrophobicContact CG-CB 3.88Å; L646-P1013 HydrophobicContact CB-CG 3.84Å; L646-P1013 HydrophobicContact CD1-CG 3.93Å; L646-P1013 WeakPolarHBondContact O-CD 3.38Å |
| 1014 | G | 90.3 | Very high | 89.8 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | -156.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1012 K1058 | T1012-G1014 PolarHBondContact O-N 3.27Å; G1014-K1058 PolarHBondContact N-O 3.19Å; G1014-K1058 VanDerWaalsContact N-O 3.08Å; G1014-K1058 CarbonylContact O-C 3.51Å; G1014-K1058 WeakPolarHBondContact O-CB 3.41Å |
| 1015 | T | 88.3 | Confident | 90.2 | Very high | 132 Ų | 132 | 49.2 Ų | 49.2 | 81% | 0.81 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -11.3 | -172.3 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1016 | Q | 90.2 | Very high | 90.2 | Very high | 49 Ų | 49 | 49.5 Ų | 49.5 | 23% | 0.229 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.7 | -176.8 | -48.8 | -169.2 | 40.2 | 0 | 0 | 111.1 | K1058 V1059 | Q1016-K1058 WeakPolarHBondContact O-CA 3.36Å; Q1016-V1059 WeakPolarHBondContact CA-O 3.34Å; Q1016-V1059 WeakPolarHBondContact CB-O 3.28Å; Q1016-V1059 WeakPolarHBondContact CG-O 3.37Å; Q1016-V1059 PolarHBondContact N-O 2.86Å; Q1016-V1059 PolarHBondContact O-N 3.05Å |
| 1017 | K | 90.6 | Very high | 90.3 | Very high | 171 Ų | 171 | 51.5 Ų | 51.5 | 74% | 0.743 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 135.3 | 171.6 | -63.5 | -175.5 | 179 | -176.1 | 0 | 109.8 | G1019 K1020 A1021 | K1017-G1019 VanDerWaalsContact C-N 3.27Å; K1017-G1019 PolarHBondContact O-N 3.18Å; K1017-K1020 PolarHBondContact O-N 2.9Å; K1017-A1021 PolarHBondContact O-N 2.85Å; K1017-A1021 VanDerWaalsContact O-N 3.16Å |
| 1018 | K | 89.8 | Confident | 90.3 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 35% | 0.348 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -46.7 | -39.1 | -177.1 | 62.6 | -179.9 | -167 | 157.7 | 0 | 116.3 | K1020 A1021 A1022 S1052 R1053 I1055 | K1018-K1020 PolarHBondContact O-N 3.23Å; K1018-A1021 PolarHBondContact O-N 3.04Å; K1018-A1022 WeakPolarHBondContact O-CB 3.45Å; K1018-A1022 PolarHBondContact O-N 2.87Å; K1018-S1052 VanDerWaalsContact CD-O 3.29Å; K1018-S1052 WeakPolarHBondContact CD-O 3.3Å; K1018-S1052 WeakPolarHBondContact CE-O 3.4Å; K1018-S1052 PolarHBondContact NZ-O 3.28Å; K1018-R1053 PolarHBondContact NZ-O 2.88Å; K1018-I1055 HydrophobicContact CB-CB 3.92Å; K1018-I1055 HydrophobicContact CB-CG2 3.71Å; K1018-I1055 VanDerWaalsContact CD-O 3.32Å; K1018-I1055 WeakPolarHBondContact CD-O 3.42Å |
| 1019 | G | 87.9 | Confident | 90.2 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -30.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | K1017 R1023 | K1017-G1019 VanDerWaalsContact C-N 3.27Å; K1017-G1019 PolarHBondContact O-N 3.18Å; G1019-R1023 WeakPolarHBondContact O-CG 3.35Å |
| 1020 | K | 89.6 | Confident | 90 | Very high | 139 Ų | 139 | 53 Ų | 53 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -75.3 | -43.4 | 171.1 | -174.4 | 176.2 | 179 | 179.4 | 0 | 110.3 | K1017 K1018 A1022 R1023 T1024 | K1017-K1020 PolarHBondContact O-N 2.9Å; K1018-K1020 PolarHBondContact O-N 3.23Å; K1020-A1022 PolarHBondContact O-N 3.3Å; K1020-R1023 PolarHBondContact O-N 2.72Å; K1020-T1024 PolarHBondContact O-N 3.13Å; K1020-T1024 PolarHBondContact O-OG1 3.25Å |
| 1021 | A | 89.9 | Confident | 89.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1017 K1018 R1023 T1024 A1025 V1059 V1061 | K1017-A1021 PolarHBondContact O-N 2.85Å; K1017-A1021 VanDerWaalsContact O-N 3.16Å; K1018-A1021 PolarHBondContact O-N 3.04Å; A1021-R1023 PolarHBondContact O-N 3.4Å; A1021-T1024 PolarHBondContact O-N 3.08Å; A1021-A1025 PolarHBondContact O-N 2.96Å; A1021-V1059 HydrophobicContact CB-CG2 3.27Å; A1021-V1061 HydrophobicContact CB-CG2 3.58Å |
| 1022 | A | 90.3 | Very high | 89 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -48.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1018 K1020 T1024 A1025 V1026 L1051 I1055 | K1018-A1022 WeakPolarHBondContact O-CB 3.45Å; K1018-A1022 PolarHBondContact O-N 2.87Å; K1020-A1022 PolarHBondContact O-N 3.3Å; A1022-T1024 VanDerWaalsContact C-N 3.33Å; A1022-T1024 PolarHBondContact O-N 3.44Å; A1022-A1025 WeakPolarHBondContact O-CB 3.46Å; A1022-A1025 PolarHBondContact O-N 2.95Å; A1022-V1026 WeakPolarHBondContact O-CG2 3.35Å; A1022-V1026 PolarHBondContact O-N 3.33Å; A1022-L1051 HydrophobicContact CB-CB 4Å; A1022-I1055 HydrophobicContact CB-CD1 3.69Å |
| 1023 | R | 90.1 | Very high | 88.1 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.2 | -37 | 176.7 | -71.6 | 178.7 | 177.9 | 174.7 | -1.5 | 112.5 | G1019 K1020 A1021 F1027 D1048 | G1019-R1023 WeakPolarHBondContact O-CG 3.35Å; K1020-R1023 PolarHBondContact O-N 2.72Å; A1021-R1023 PolarHBondContact O-N 3.4Å; R1023-F1027 VanDerWaalsContact O-CB 3.23Å; R1023-F1027 WeakPolarHBondContact O-CB 3.24Å; R1023-F1027 PolarHBondContact O-N 2.82Å; R1023-D1048 IonicContact CZ-OD1 2.69Å; R1023-D1048 IonicContact CZ-OD2 3.33Å; R1023-D1048 IonicContact NE-OD1 2.62Å; R1023-D1048 PolarHBondContact NE-OD1 3.32Å; R1023-D1048 IonicContact NE-OD2 2.8Å; R1023-D1048 PolarHBondContact NE-OD2 3.14Å; R1023-D1048 VanDerWaalsContact NH2-CG 3.31Å; R1023-D1048 IonicContact NH2-OD1 2.71Å; R1023-D1048 PolarHBondContact NH2-OD1 3.33Å; R1023-D1048 IonicContact NH2-OD2 2.82Å; R1023-D1048 PolarHBondContact NH2-OD2 3.26Å |
| 1024 | T | 89.9 | Confident | 87.4 | Confident | 35 Ų | 35 | 74 Ų | 74 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.3 | -67.6 | 0 | 0 | 0 | 0 | 112 | K1020 A1021 A1022 S1028 L1066 | K1020-T1024 PolarHBondContact O-N 3.13Å; K1020-T1024 PolarHBondContact O-OG1 3.25Å; A1021-T1024 PolarHBondContact O-N 3.08Å; A1022-T1024 VanDerWaalsContact C-N 3.33Å; A1022-T1024 PolarHBondContact O-N 3.44Å; T1024-S1028 PolarHBondContact O-N 3.43Å; T1024-S1028 VanDerWaalsContact O-N 3.1Å; T1024-L1066 HydrophobicContact CG2-CD1 3.99Å; T1024-L1066 HydrophobicContact CG2-CD2 4.24Å |
| 1025 | A | 89.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.7 | -50.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | F650 V1009 A1021 A1022 F1027 S1028 F1029 | F650-A1025 HydrophobicContact CD1-CB 3.65Å; F650-A1025 HydrophobicContact CE1-CB 4.03Å; V1009-A1025 HydrophobicContact CG1-CB 4.15Å; V1009-A1025 HydrophobicContact CG2-CB 3.72Å; A1021-A1025 PolarHBondContact O-N 2.96Å; A1022-A1025 WeakPolarHBondContact O-CB 3.46Å; A1022-A1025 PolarHBondContact O-N 2.95Å; A1025-F1027 VanDerWaalsContact C-N 3.31Å; A1025-F1027 PolarHBondContact O-N 3.01Å; A1025-S1028 WeakPolarHBondContact O-CA 3.39Å; A1025-S1028 WeakPolarHBondContact O-CB 3.39Å; A1025-S1028 PolarHBondContact O-N 3.15Å; A1025-F1029 HydrophobicContact CB-CE2 4.39Å; A1025-F1029 WeakPolarHBondContact O-CD2 3.45Å; A1025-F1029 WeakPolarHBondContact O-CG 3.33Å; A1025-F1029 PolarHBondContact O-N 3.27Å |
| 1026 | V | 89.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.085 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.9 | F650 F652 A1022 S1028 F1029 M1030 F1043 L1051 | F650-V1026 HydrophobicContact CE1-CG2 4.33Å; F652-V1026 HydrophobicContact CE2-CG2 3.96Å; F652-V1026 HydrophobicContact CZ-CG2 3.84Å; A1022-V1026 WeakPolarHBondContact O-CG2 3.35Å; A1022-V1026 PolarHBondContact O-N 3.33Å; V1026-S1028 VanDerWaalsContact C-N 3.27Å; V1026-S1028 PolarHBondContact O-N 3.12Å; V1026-F1029 PolarHBondContact O-N 3.15Å; V1026-M1030 HydrophobicContact CG1-CG 4.34Å; V1026-M1030 HydrophobicContact CG1-SD 4.07Å; V1026-M1030 WeakPolarHBondContact O-CB 3.32Å; V1026-M1030 WeakPolarHBondContact O-CG 3.05Å; V1026-M1030 PolarHBondContact O-N 3.4Å; V1026-F1043 HydrophobicContact CG1-CB 4.18Å; V1026-L1051 HydrophobicContact CG2-CD1 4.06Å; V1026-L1051 HydrophobicContact CG2-CD2 4.03Å |
| 1027 | F | 88.4 | Confident | 86.5 | Confident | 112 Ų | 112 | 72.2 Ų | 72.2 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -31.7 | 174.9 | -177.2 | -106.1 | 0 | 0 | 0 | 112.9 | R1023 A1025 K1031 | R1023-F1027 VanDerWaalsContact O-CB 3.23Å; R1023-F1027 WeakPolarHBondContact O-CB 3.24Å; R1023-F1027 PolarHBondContact O-N 2.82Å; A1025-F1027 VanDerWaalsContact C-N 3.31Å; A1025-F1027 PolarHBondContact O-N 3.01Å; F1027-K1031 HydrophobicContact CD1-CD 4.42Å; F1027-K1031 HydrophobicContact CE1-CD 3.9Å; F1027-K1031 HydrophobicContact CZ-CD 4.06Å; F1027-K1031 VanDerWaalsContact CZ-CE 3.41Å; F1027-K1031 WeakPolarHBondContact O-CB 3.4Å; F1027-K1031 PolarHBondContact O-N 3.07Å |
| 1028 | S | 88.1 | Confident | 86.2 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 172.6 | -158.3 | 0 | 0 | 0 | 0 | 111.2 | T1024 A1025 V1026 M1030 K1031 A1032 | T1024-S1028 PolarHBondContact O-N 3.43Å; T1024-S1028 VanDerWaalsContact O-N 3.1Å; A1025-S1028 WeakPolarHBondContact O-CA 3.39Å; A1025-S1028 WeakPolarHBondContact O-CB 3.39Å; A1025-S1028 PolarHBondContact O-N 3.15Å; V1026-S1028 VanDerWaalsContact C-N 3.27Å; V1026-S1028 PolarHBondContact O-N 3.12Å; S1028-M1030 PolarHBondContact O-N 3.38Å; S1028-K1031 PolarHBondContact O-N 3.25Å; S1028-K1031 VanDerWaalsContact O-N 3.11Å; S1028-A1032 PolarHBondContact O-N 2.97Å; S1028-A1032 VanDerWaalsContact O-N 3.14Å |
| 1029 | F | 89.1 | Confident | 86.1 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.3 | -52.9 | -37.7 | 0 | 0 | 0 | 112.2 | F650 F652 H1007 V1009 A1025 V1026 K1031 A1032 A1035 F1043 | F650-F1029 HydrophobicContact CD1-CE2 4.11Å; F650-F1029 HydrophobicContact CD1-CZ 4.49Å; F650-F1029 HydrophobicContact CE1-CE2 4.17Å; F652-F1029 HydrophobicContact CD2-CD2 4.08Å; F652-F1029 HydrophobicContact CD2-CE2 4.02Å; F652-F1029 AromaticContact CE2-CD2 3.86Å; F652-F1029 HydrophobicContact CE2-CD2 3.86Å; F652-F1029 AromaticContact CE2-CE2 3.94Å; F652-F1029 HydrophobicContact CE2-CE2 3.94Å; H1007-F1029 HydrophobicContact CB-CD1 3.82Å; H1007-F1029 HydrophobicContact CB-CD2 4.44Å; H1007-F1029 HydrophobicContact CB-CE1 3.98Å; H1007-F1029 HydrophobicContact CB-CG 4.07Å; H1007-F1029 HydrophobicContact CB-CZ 4.35Å; H1007-F1029 AromaticContact ND1-CD1 3.99Å; H1007-F1029 WeakPolarHBondContact O-CE1 3.21Å; H1007-F1029 WeakPolarHBondContact O-CZ 3.26Å; V1009-F1029 HydrophobicContact CG1-CE1 3.61Å; V1009-F1029 HydrophobicContact CG1-CZ 3.75Å; V1009-F1029 HydrophobicContact CG2-CZ 4.49Å; A1025-F1029 HydrophobicContact CB-CE2 4.39Å; A1025-F1029 WeakPolarHBondContact O-CD2 3.45Å; A1025-F1029 WeakPolarHBondContact O-CG 3.33Å; A1025-F1029 PolarHBondContact O-N 3.27Å; V1026-F1029 PolarHBondContact O-N 3.15Å; F1029-K1031 PolarHBondContact O-N 3.25Å; F1029-A1032 WeakPolarHBondContact O-CB 3.49Å; F1029-A1032 PolarHBondContact O-N 3.17Å; F1029-A1032 VanDerWaalsContact O-N 3.14Å; F1029-A1035 WeakPolarHBondContact O-CB 3.05Å; F1029-F1043 HydrophobicContact CB-CD2 4.13Å; F1029-F1043 HydrophobicContact CB-CE2 3.64Å; F1029-F1043 HydrophobicContact CB-CZ 3.99Å |
| 1030 | M | 86.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 66 Ų | 66 | 31% | 0.305 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -23.8 | 174.2 | -74 | -179.1 | 62.8 | 0 | 0 | 113.7 | V1026 S1028 K1040 F1043 R1044 | V1026-M1030 HydrophobicContact CG1-CG 4.34Å; V1026-M1030 HydrophobicContact CG1-SD 4.07Å; V1026-M1030 WeakPolarHBondContact O-CB 3.32Å; V1026-M1030 WeakPolarHBondContact O-CG 3.05Å; V1026-M1030 PolarHBondContact O-N 3.4Å; S1028-M1030 PolarHBondContact O-N 3.38Å; M1030-K1040 WeakPolarHBondContact O-CE 3.37Å; M1030-F1043 HydrophobicContact CG-CD2 4.37Å; M1030-R1044 HydrophobicContact CE-CG 4.3Å; M1030-R1044 HydrophobicContact SD-CG 4.32Å |
| 1031 | K | 83.4 | Confident | 85.9 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -92.4 | -9.3 | 175.6 | -84.9 | -170.8 | 167 | -171.8 | 0 | 114.2 | F1027 S1028 F1029 | F1027-K1031 HydrophobicContact CD1-CD 4.42Å; F1027-K1031 HydrophobicContact CE1-CD 3.9Å; F1027-K1031 HydrophobicContact CZ-CD 4.06Å; F1027-K1031 VanDerWaalsContact CZ-CE 3.41Å; F1027-K1031 WeakPolarHBondContact O-CB 3.4Å; F1027-K1031 PolarHBondContact O-N 3.07Å; S1028-K1031 PolarHBondContact O-N 3.25Å; S1028-K1031 VanDerWaalsContact O-N 3.11Å; F1029-K1031 PolarHBondContact O-N 3.25Å |
| 1032 | A | 82.3 | Confident | 85.7 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -63.9 | 143.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1028 F1029 A1035 | S1028-A1032 PolarHBondContact O-N 2.97Å; S1028-A1032 VanDerWaalsContact O-N 3.14Å; F1029-A1032 WeakPolarHBondContact O-CB 3.49Å; F1029-A1032 PolarHBondContact O-N 3.17Å; F1029-A1032 VanDerWaalsContact O-N 3.14Å; A1032-A1035 HydrophobicContact CB-CB 4.13Å; A1032-A1035 WeakPolarHBondContact O-CB 3.39Å | ||
| 1033 | R | 74.5 | Confident | 85.7 | Confident | 240 Ų | 240 | 60.5 Ų | 60.5 | 91% | 0.906 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -43.6 | 179.9 | -78.9 | -179.1 | 166 | -178.8 | -6.1 | 111 | A1035 | R1033-A1035 PolarHBondContact O-N 3Å; R1033-A1035 VanDerWaalsContact O-N 3.15Å |
| 1034 | E | 77.8 | Confident | 85.4 | Confident | 137 Ų | 137 | 58 Ų | 58 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -0.9 | 177.3 | -47.4 | 98.6 | -99.7 | 0 | 0 | 115.1 | K1006 S1036 | K1006-E1034 VanDerWaalsContact CE-O 3.28Å; K1006-E1034 WeakPolarHBondContact CE-O 3.45Å; K1006-E1034 PolarHBondContact NZ-O 2.85Å; E1034-S1036 PolarHBondContact O-N 3.27Å |
| 1035 | A | 79.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | trans | -76.1 | 116.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1029 A1032 R1033 E1039 K1040 | F1029-A1035 WeakPolarHBondContact O-CB 3.05Å; A1032-A1035 HydrophobicContact CB-CB 4.13Å; A1032-A1035 WeakPolarHBondContact O-CB 3.39Å; R1033-A1035 PolarHBondContact O-N 3Å; R1033-A1035 VanDerWaalsContact O-N 3.15Å; A1035-E1039 VanDerWaalsContact CA-OE2 3.25Å; A1035-E1039 WeakPolarHBondContact CA-OE2 3.3Å; A1035-K1040 HydrophobicContact CB-CD 4.28Å; A1035-K1040 HydrophobicContact CB-CG 4.27Å; A1035-K1040 WeakPolarHBondContact O-CE 3.45Å; A1035-K1040 PolarHBondContact O-NZ 3.16Å | ||
| 1036 | S | 84.8 | Confident | 85 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -65.1 | 153 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | E1034 R1038 E1039 K1040 | E1034-S1036 PolarHBondContact O-N 3.27Å; S1036-R1038 PolarHBondContact O-N 3.47Å; S1036-R1038 PolarHBondContact OG-N 3.31Å; S1036-E1039 PolarHBondContact N-OE2 3.35Å; S1036-E1039 WeakPolarHBondContact O-CB 3.49Å; S1036-E1039 PolarHBondContact O-N 3.2Å; S1036-K1040 WeakPolarHBondContact O-CG 3.22Å; S1036-K1040 PolarHBondContact O-N 3.41Å | ||
| 1037 | T | 84.1 | Confident | 84.7 | Confident | 108 Ų | 108 | 62 Ų | 62 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -55.7 | -38.3 | 171.7 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | K1040 D1041 | T1037-K1040 PolarHBondContact O-N 3.3Å; T1037-D1041 PolarHBondContact O-N 3.02Å; T1037-D1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | R | 85.4 | Confident | 84.4 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 176.7 | -176.5 | 61.2 | 178.2 | 174.1 | 2.1 | 111.6 | L989 L990 S1036 K1040 D1041 L1042 | L989-R1038 HydrophobicContact CB-CG 4.18Å; L989-R1038 VanDerWaalsContact O-CZ 3.26Å; L989-R1038 PolarHBondContact O-NE 3.38Å; L989-R1038 PolarHBondContact O-NH2 3.27Å; L990-R1038 PolarHBondContact O-NH2 3.13Å; S1036-R1038 PolarHBondContact O-N 3.47Å; S1036-R1038 PolarHBondContact OG-N 3.31Å; R1038-K1040 VanDerWaalsContact C-N 3.32Å; R1038-K1040 PolarHBondContact O-N 3.12Å; R1038-D1041 PolarHBondContact O-N 3.24Å; R1038-L1042 VanDerWaalsContact O-CG 3.31Å; R1038-L1042 WeakPolarHBondContact O-CG 3.39Å; R1038-L1042 PolarHBondContact O-N 3.27Å |
| 1039 | E | 87.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.9 | -66 | 167.6 | -169.1 | 0 | 0 | 111.5 | F654 L989 K1006 H1007 A1035 S1036 D1041 L1042 F1043 | F654-E1039 HydrophobicContact CE1-CB 4.3Å; F654-E1039 HydrophobicContact CE1-CG 4.08Å; F654-E1039 HydrophobicContact CZ-CB 4.46Å; F654-E1039 HydrophobicContact CZ-CG 4.16Å; L989-E1039 HydrophobicContact CD1-CG 3.86Å; K1006-E1039 IonicContact NZ-OE1 2.68Å; K1006-E1039 PolarHBondContact NZ-OE1 3.12Å; K1006-E1039 IonicContact NZ-OE2 3.71Å; K1006-E1039 PolarHBondContact NZ-OE2 3.47Å; H1007-E1039 IonicContact CD2-OE2 3.77Å; H1007-E1039 IonicContact CE1-OE2 3.46Å; H1007-E1039 IonicContact NE2-OE2 2.76Å; H1007-E1039 PolarHBondContact NE2-OE2 3.42Å; A1035-E1039 VanDerWaalsContact CA-OE2 3.25Å; A1035-E1039 WeakPolarHBondContact CA-OE2 3.3Å; S1036-E1039 PolarHBondContact N-OE2 3.35Å; S1036-E1039 WeakPolarHBondContact O-CB 3.49Å; S1036-E1039 PolarHBondContact O-N 3.2Å; E1039-D1041 PolarHBondContact O-N 3.31Å; E1039-L1042 WeakPolarHBondContact O-CB 3.47Å; E1039-L1042 PolarHBondContact O-N 3.49Å; E1039-F1043 HydrophobicContact CB-CE2 4.18Å; E1039-F1043 HydrophobicContact CB-CZ 4.23Å; E1039-F1043 VanDerWaalsContact O-CD2 3.25Å; E1039-F1043 WeakPolarHBondContact O-CD2 3.32Å; E1039-F1043 VanDerWaalsContact O-CG 3.24Å; E1039-F1043 WeakPolarHBondContact O-CG 3.5Å; E1039-F1043 PolarHBondContact O-N 3.26Å |
| 1040 | K | 87.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 65 Ų | 65 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 178.1 | -77.8 | 158.8 | 169.8 | 148.6 | 0 | 112.3 | M1030 A1035 S1036 T1037 R1038 R1044 | M1030-K1040 WeakPolarHBondContact O-CE 3.37Å; A1035-K1040 HydrophobicContact CB-CD 4.28Å; A1035-K1040 HydrophobicContact CB-CG 4.27Å; A1035-K1040 WeakPolarHBondContact O-CE 3.45Å; A1035-K1040 PolarHBondContact O-NZ 3.16Å; S1036-K1040 WeakPolarHBondContact O-CG 3.22Å; S1036-K1040 PolarHBondContact O-N 3.41Å; T1037-K1040 PolarHBondContact O-N 3.3Å; R1038-K1040 VanDerWaalsContact C-N 3.32Å; R1038-K1040 PolarHBondContact O-N 3.12Å; K1040-R1044 VanDerWaalsContact O-CD 3.25Å; K1040-R1044 WeakPolarHBondContact O-CD 3.33Å; K1040-R1044 VanDerWaalsContact O-CG 3.26Å; K1040-R1044 WeakPolarHBondContact O-CG 3.48Å; K1040-R1044 PolarHBondContact O-N 3.46Å |
| 1041 | D | 85.7 | Confident | 83.9 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 174.7 | -78 | -11.8 | 0 | 0 | 0 | 112.6 | T511 I515 T1037 R1038 E1039 R1044 S1045 | T511-D1041 PolarHBondContact OG1-OD2 2.91Å; I515-D1041 HydrophobicContact CD1-CB 4.35Å; T1037-D1041 PolarHBondContact O-N 3.02Å; T1037-D1041 VanDerWaalsContact O-N 3.08Å; R1038-D1041 PolarHBondContact O-N 3.24Å; E1039-D1041 PolarHBondContact O-N 3.31Å; D1041-R1044 PolarHBondContact O-N 3.35Å; D1041-R1044 IonicContact OD1-NH1 2.73Å; D1041-R1044 PolarHBondContact OD1-NH1 3.33Å; D1041-R1044 VanDerWaalsContact OD1-NH1 3.1Å; D1041-S1045 PolarHBondContact O-N 2.96Å |
| 1042 | L | 87 | Confident | 84 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 172.7 | -71.8 | -176.6 | 0 | 0 | 0 | 112 | I515 F654 L989 A992 R1038 E1039 R1044 S1045 | I515-L1042 HydrophobicContact CB-CD2 4.39Å; I515-L1042 HydrophobicContact CD1-CD2 3.81Å; I515-L1042 HydrophobicContact CG1-CD2 3.86Å; I515-L1042 HydrophobicContact CG2-CD2 3.57Å; F654-L1042 HydrophobicContact CD1-CD1 3.74Å; F654-L1042 HydrophobicContact CE1-CD1 4.14Å; L989-L1042 HydrophobicContact CB-CD1 3.56Å; L989-L1042 HydrophobicContact CD1-CD1 4.17Å; A992-L1042 HydrophobicContact CB-CB 3.87Å; A992-L1042 HydrophobicContact CB-CD1 4.36Å; R1038-L1042 VanDerWaalsContact O-CG 3.31Å; R1038-L1042 WeakPolarHBondContact O-CG 3.39Å; R1038-L1042 PolarHBondContact O-N 3.27Å; E1039-L1042 WeakPolarHBondContact O-CB 3.47Å; E1039-L1042 PolarHBondContact O-N 3.49Å; L1042-R1044 VanDerWaalsContact C-N 3.28Å; L1042-R1044 PolarHBondContact O-N 2.97Å; L1042-S1045 WeakPolarHBondContact O-CB 3.42Å; L1042-S1045 PolarHBondContact O-N 3.24Å; L1042-S1045 VanDerWaalsContact O-N 3.12Å; L1042-S1045 PolarHBondContact O-OG 3.41Å |
| 1043 | F | 89.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -38 | 176.3 | -59.3 | -38 | 0 | 0 | 0 | 112.5 | F652 F654 H1007 V1026 F1029 M1030 E1039 S1045 | F652-F1043 HydrophobicContact CB-CE1 4.12Å; F652-F1043 HydrophobicContact CD1-CD1 4.19Å; F652-F1043 AromaticContact CD2-CD1 3.53Å; F652-F1043 HydrophobicContact CD2-CD1 3.53Å; F652-F1043 AromaticContact CD2-CE1 3.44Å; F652-F1043 HydrophobicContact CD2-CE1 3.44Å; F652-F1043 VanDerWaalsContact CD2-CE1 3.44Å; F652-F1043 HydrophobicContact CE1-CD1 4.19Å; F652-F1043 AromaticContact CE2-CD1 3.55Å; F652-F1043 HydrophobicContact CE2-CD1 3.55Å; F652-F1043 AromaticContact CE2-CE1 3.91Å; F652-F1043 HydrophobicContact CE2-CE1 3.91Å; F652-F1043 HydrophobicContact CE2-CG 4.38Å; F652-F1043 AromaticContact CG-CD1 3.86Å; F652-F1043 HydrophobicContact CG-CD1 3.86Å; F652-F1043 AromaticContact CG-CE1 3.79Å; F652-F1043 HydrophobicContact CG-CE1 3.79Å; F652-F1043 AromaticContact CZ-CD1 3.88Å; F652-F1043 HydrophobicContact CZ-CD1 3.88Å; F654-F1043 HydrophobicContact CE1-CE1 4.02Å; F654-F1043 HydrophobicContact CE1-CZ 4.48Å; F654-F1043 AromaticContact CZ-CE1 3.62Å; F654-F1043 HydrophobicContact CZ-CE1 3.62Å; F654-F1043 AromaticContact CZ-CZ 3.89Å; F654-F1043 HydrophobicContact CZ-CZ 3.89Å; H1007-F1043 HydrophobicContact CB-CZ 4.34Å; H1007-F1043 AromaticContact CD2-CZ 3.7Å; H1007-F1043 AromaticContact CG-CZ 3.82Å; H1007-F1043 AromaticContact NE2-CZ 3.96Å; V1026-F1043 HydrophobicContact CG1-CB 4.18Å; F1029-F1043 HydrophobicContact CB-CD2 4.13Å; F1029-F1043 HydrophobicContact CB-CE2 3.64Å; F1029-F1043 HydrophobicContact CB-CZ 3.99Å; M1030-F1043 HydrophobicContact CG-CD2 4.37Å; E1039-F1043 HydrophobicContact CB-CE2 4.18Å; E1039-F1043 HydrophobicContact CB-CZ 4.23Å; E1039-F1043 VanDerWaalsContact O-CD2 3.25Å; E1039-F1043 WeakPolarHBondContact O-CD2 3.32Å; E1039-F1043 VanDerWaalsContact O-CG 3.24Å; E1039-F1043 WeakPolarHBondContact O-CG 3.5Å; E1039-F1043 PolarHBondContact O-N 3.26Å; F1043-S1045 VanDerWaalsContact C-N 3.34Å |
| 1044 | R | 85 | Confident | 84.8 | Confident | 93 Ų | 93 | 50.8 Ų | 50.8 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.7 | -27.6 | 176.9 | -67.9 | 158.1 | 161.3 | -155.4 | -20.4 | 113.1 | E508 V512 M1030 K1040 D1041 L1042 V1046 | E508-R1044 IonicContact OE1-CZ 2.65Å; E508-R1044 IonicContact OE1-NH1 2.7Å; E508-R1044 PolarHBondContact OE1-NH1 3.4Å; E508-R1044 IonicContact OE1-NH2 2.6Å; E508-R1044 PolarHBondContact OE1-NH2 3.38Å; V512-R1044 HydrophobicContact CG2-CB 4.49Å; M1030-R1044 HydrophobicContact CE-CG 4.3Å; M1030-R1044 HydrophobicContact SD-CG 4.32Å; K1040-R1044 VanDerWaalsContact O-CD 3.25Å; K1040-R1044 WeakPolarHBondContact O-CD 3.33Å; K1040-R1044 VanDerWaalsContact O-CG 3.26Å; K1040-R1044 WeakPolarHBondContact O-CG 3.48Å; K1040-R1044 PolarHBondContact O-N 3.46Å; D1041-R1044 PolarHBondContact O-N 3.35Å; D1041-R1044 IonicContact OD1-NH1 2.73Å; D1041-R1044 PolarHBondContact OD1-NH1 3.33Å; D1041-R1044 VanDerWaalsContact OD1-NH1 3.1Å; L1042-R1044 VanDerWaalsContact C-N 3.28Å; L1042-R1044 PolarHBondContact O-N 2.97Å; R1044-V1046 PolarHBondContact O-N 3.44Å |
| 1045 | S | 85.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -22 | -179.4 | 79.8 | 0 | 0 | 0 | 0 | 113.9 | I515 Q516 D1041 L1042 F1043 | I515-S1045 WeakPolarHBondContact CG2-OG 3.25Å; Q516-S1045 PolarHBondContact NE2-O 2.97Å; D1041-S1045 PolarHBondContact O-N 2.96Å; L1042-S1045 WeakPolarHBondContact O-CB 3.42Å; L1042-S1045 PolarHBondContact O-N 3.24Å; L1042-S1045 VanDerWaalsContact O-N 3.12Å; L1042-S1045 PolarHBondContact O-OG 3.41Å; F1043-S1045 VanDerWaalsContact C-N 3.34Å |
| 1046 | V | 84.9 | Confident | 85.7 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -84.5 | 133.8 | -173.8 | -177 | 0 | 0 | 0 | 0 | 111.4 | F652 P994 R1044 D1050 L1051 | F652-V1046 HydrophobicContact CE1-CB 4.39Å; F652-V1046 HydrophobicContact CE1-CG2 4.08Å; P994-V1046 HydrophobicContact CG-CG1 3.88Å; R1044-V1046 PolarHBondContact O-N 3.44Å; V1046-D1050 HydrophobicContact CG1-CB 4.03Å; V1046-L1051 HydrophobicContact CB-CD2 4Å; V1046-L1051 HydrophobicContact CB-CG 4.48Å; V1046-L1051 HydrophobicContact CG1-CD2 3.57Å; V1046-L1051 HydrophobicContact CG1-CG 3.94Å |
| 1047 | K | 83.6 | Confident | 85.7 | Confident | 113 Ų | 113 | 44 Ų | 44 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | trans | -73 | 140.1 | -175.1 | -60.4 | 163.3 | -173.8 | 163.7 | 0 | 111 | T1049 D1050 L1051 | K1047-T1049 WeakPolarHBondContact CB-OG1 3.32Å; K1047-T1049 PolarHBondContact O-N 3.08Å; K1047-D1050 WeakPolarHBondContact O-CB 3.42Å; K1047-D1050 PolarHBondContact O-N 2.97Å; K1047-L1051 WeakPolarHBondContact O-CG 3.38Å; K1047-L1051 PolarHBondContact O-N 3.03Å; K1047-L1051 VanDerWaalsContact O-N 3.09Å | ||
| 1048 | D | 82.2 | Confident | 85.9 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -48.5 | -33.2 | 173.2 | -86.5 | -50 | 0 | 0 | 0 | 114.1 | R1023 D1050 S1052 | R1023-D1048 IonicContact CZ-OD1 2.69Å; R1023-D1048 IonicContact CZ-OD2 3.33Å; R1023-D1048 IonicContact NE-OD1 2.62Å; R1023-D1048 PolarHBondContact NE-OD1 3.32Å; R1023-D1048 IonicContact NE-OD2 2.8Å; R1023-D1048 PolarHBondContact NE-OD2 3.14Å; R1023-D1048 VanDerWaalsContact NH2-CG 3.31Å; R1023-D1048 IonicContact NH2-OD1 2.71Å; R1023-D1048 PolarHBondContact NH2-OD1 3.33Å; R1023-D1048 IonicContact NH2-OD2 2.82Å; R1023-D1048 PolarHBondContact NH2-OD2 3.26Å; D1048-D1050 VanDerWaalsContact C-N 3.34Å; D1048-S1052 PolarHBondContact O-N 2.91Å; D1048-S1052 PolarHBondContact O-OG 3.47Å |
| 1049 | T | 83.3 | Confident | 86.3 | Confident | 97 Ų | 97 | 39.9 Ų | 39.9 | 60% | 0.595 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.5 | -45.4 | 174.8 | 45.6 | 0 | 0 | 0 | 0 | 111.7 | K1047 R1053 | K1047-T1049 WeakPolarHBondContact CB-OG1 3.32Å; K1047-T1049 PolarHBondContact O-N 3.08Å; T1049-R1053 WeakPolarHBondContact O-CB 3.3Å; T1049-R1053 PolarHBondContact O-N 3.2Å; T1049-R1053 VanDerWaalsContact O-N 3.09Å |
| 1050 | D | 82.8 | Confident | 86.4 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.9 | -46.4 | -173.1 | -56.3 | 16.5 | 0 | 0 | 0 | 108.7 | R519 P994 V1046 K1047 D1048 S1052 R1053 | R519-D1050 IonicContact CZ-OD2 2.66Å; R519-D1050 IonicContact NH1-OD2 2.68Å; R519-D1050 PolarHBondContact NH1-OD2 3.1Å; R519-D1050 IonicContact NH2-OD2 2.74Å; P994-D1050 HydrophobicContact CG-CB 4.25Å; V1046-D1050 HydrophobicContact CG1-CB 4.03Å; K1047-D1050 WeakPolarHBondContact O-CB 3.42Å; K1047-D1050 PolarHBondContact O-N 2.97Å; D1048-D1050 VanDerWaalsContact C-N 3.34Å; D1050-S1052 PolarHBondContact O-N 3.49Å; D1050-S1052 VanDerWaalsContact O-N 3.12Å; D1050-R1053 WeakPolarHBondContact O-CB 3.14Å; D1050-R1053 PolarHBondContact O-N 3.45Å; D1050-R1053 VanDerWaalsContact O-N 3.15Å |
| 1051 | L | 85.9 | Confident | 86.6 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.1 | -34.8 | 175.9 | -64.1 | 179.6 | 0 | 0 | 0 | 113.4 | F650 F652 P994 A1022 V1026 V1046 K1047 | F650-L1051 VanDerWaalsContact CE2-O 3.29Å; F650-L1051 WeakPolarHBondContact CE2-O 3.49Å; F650-L1051 HydrophobicContact CZ-CD2 4.18Å; F652-L1051 HydrophobicContact CE1-CD2 3.81Å; F652-L1051 HydrophobicContact CZ-CD2 3.52Å; P994-L1051 HydrophobicContact CB-CD2 4.14Å; A1022-L1051 HydrophobicContact CB-CB 4Å; V1026-L1051 HydrophobicContact CG2-CD1 4.06Å; V1026-L1051 HydrophobicContact CG2-CD2 4.03Å; V1046-L1051 HydrophobicContact CB-CD2 4Å; V1046-L1051 HydrophobicContact CB-CG 4.48Å; V1046-L1051 HydrophobicContact CG1-CD2 3.57Å; V1046-L1051 HydrophobicContact CG1-CG 3.94Å; K1047-L1051 WeakPolarHBondContact O-CG 3.38Å; K1047-L1051 PolarHBondContact O-N 3.03Å; K1047-L1051 VanDerWaalsContact O-N 3.09Å |
| 1052 | S | 86.8 | Confident | 86.6 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 3.5 | -176.3 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | K1018 D1048 D1050 | K1018-S1052 VanDerWaalsContact CD-O 3.29Å; K1018-S1052 WeakPolarHBondContact CD-O 3.3Å; K1018-S1052 WeakPolarHBondContact CE-O 3.4Å; K1018-S1052 PolarHBondContact NZ-O 3.28Å; D1048-S1052 PolarHBondContact O-N 2.91Å; D1048-S1052 PolarHBondContact O-OG 3.47Å; D1050-S1052 PolarHBondContact O-N 3.49Å; D1050-S1052 VanDerWaalsContact O-N 3.12Å |
| 1053 | R | 85.8 | Confident | 86.2 | Confident | 109 Ų | 109 | 44.4 Ų | 44.4 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -43.5 | 178.3 | -171 | 176.5 | 176.9 | 178.9 | -4.8 | 111.9 | E525 K526 R542 K1018 T1049 D1050 | E525-R1053 PolarHBondContact O-NH1 3.23Å; E525-R1053 PolarHBondContact O-NH2 3.43Å; K526-R1053 PolarHBondContact O-NH2 2.89Å; R542-R1053 VanDerWaalsContact NH2-NE 3.19Å; K1018-R1053 PolarHBondContact NZ-O 2.88Å; T1049-R1053 WeakPolarHBondContact O-CB 3.3Å; T1049-R1053 PolarHBondContact O-N 3.2Å; T1049-R1053 VanDerWaalsContact O-N 3.09Å; D1050-R1053 WeakPolarHBondContact O-CB 3.14Å; D1050-R1053 PolarHBondContact O-N 3.45Å; D1050-R1053 VanDerWaalsContact O-N 3.15Å |
| 1054 | N | 87 | Confident | 84.7 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 14.1 | -170 | -63.6 | -8.5 | 0 | 0 | 0 | 113.6 | L528 R542 Y597 C996 | L528-N1054 HydrophobicContact CD2-CB 4.39Å; R542-N1054 PolarHBondContact NH2-OD1 2.83Å; Y597-N1054 PolarHBondContact OH-O 2.93Å; C996-N1054 HydrophobicContact CB-CB 4.05Å; C996-N1054 WeakPolarHBondContact CB-O 3.41Å; C996-N1054 PolarHBondContact SG-O 3.4Å |
| 1055 | I | 90.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -94.1 | 135.7 | 175.2 | -64.8 | 179.8 | 0 | 0 | 0 | 109.5 | F650 L1011 K1018 A1022 V1059 | F650-I1055 HydrophobicContact CD2-CD1 3.79Å; F650-I1055 HydrophobicContact CD2-CG1 3.89Å; F650-I1055 HydrophobicContact CE2-CD1 4.09Å; F650-I1055 HydrophobicContact CE2-CG1 4.34Å; F650-I1055 HydrophobicContact CG-CD1 4.27Å; L1011-I1055 HydrophobicContact CD1-CG1 4.4Å; L1011-I1055 HydrophobicContact CD1-CG2 4.1Å; K1018-I1055 HydrophobicContact CB-CB 3.92Å; K1018-I1055 HydrophobicContact CB-CG2 3.71Å; K1018-I1055 VanDerWaalsContact CD-O 3.32Å; K1018-I1055 WeakPolarHBondContact CD-O 3.42Å; A1022-I1055 HydrophobicContact CB-CD1 3.69Å; I1055-V1059 HydrophobicContact CG2-CG1 3.83Å; I1055-V1059 HydrophobicContact CG2-CG2 4.25Å |
| 1056 | P | 85.5 | Confident | 82 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | trans | -54 | 173.1 | 171.3 | -28.5 | 35.4 | 0 | 0 | 0 | 115.1 | Y597 W601 M648 V1059 | Y597-P1056 HydrophobicContact CD1-CG 4.31Å; Y597-P1056 HydrophobicContact CE1-CB 4.48Å; Y597-P1056 HydrophobicContact CE1-CG 3.83Å; W601-P1056 HydrophobicContact CD2-CB 3.75Å; W601-P1056 HydrophobicContact CD2-CG 4.48Å; W601-P1056 HydrophobicContact CE3-CB 4.15Å; W601-P1056 HydrophobicContact CE3-CG 4.4Å; W601-P1056 HydrophobicContact CG-CB 4.2Å; W601-P1056 HydrophobicContact CH2-CB 4.36Å; W601-P1056 HydrophobicContact CH2-CG 4.4Å; W601-P1056 HydrophobicContact CZ2-CB 4Å; W601-P1056 HydrophobicContact CZ2-CG 4.49Å; W601-P1056 HydrophobicContact CZ3-CB 4.43Å; W601-P1056 HydrophobicContact CZ3-CG 4.35Å; M648-P1056 HydrophobicContact CG-CG 4.15Å; P1056-V1059 HydrophobicContact CB-CG1 4.4Å; P1056-V1059 WeakPolarHBondContact O-CG1 2.97Å | ||
| 1057 | G | 84.3 | Confident | 80.4 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -49.7 | -87 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1058 | K | 89.9 | Confident | 78.7 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.5 | 171.4 | -57.3 | 173.2 | -163.5 | 132 | 0 | 109.2 | W601 G1014 Q1016 | W601-K1058 PolarHBondContact NE1-O 3.48Å; G1014-K1058 PolarHBondContact N-O 3.19Å; G1014-K1058 VanDerWaalsContact N-O 3.08Å; G1014-K1058 CarbonylContact O-C 3.51Å; G1014-K1058 WeakPolarHBondContact O-CB 3.41Å; Q1016-K1058 WeakPolarHBondContact O-CA 3.36Å |
| 1059 | V | 92.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.5 | -168.2 | -47.1 | 0 | 0 | 0 | 0 | 112.6 | W601 L1011 T1012 Q1016 A1021 I1055 P1056 V1061 | W601-V1059 HydrophobicContact CZ2-CB 4.23Å; W601-V1059 HydrophobicContact CZ2-CG1 3.68Å; L1011-V1059 HydrophobicContact CD2-CG2 4.27Å; T1012-V1059 CarbonylContact O-C 3.53Å; T1012-V1059 VanDerWaalsContact O-CA 3.32Å; T1012-V1059 WeakPolarHBondContact O-CA 3.42Å; Q1016-V1059 WeakPolarHBondContact CA-O 3.34Å; Q1016-V1059 WeakPolarHBondContact CB-O 3.28Å; Q1016-V1059 WeakPolarHBondContact CG-O 3.37Å; Q1016-V1059 PolarHBondContact N-O 2.86Å; Q1016-V1059 PolarHBondContact O-N 3.05Å; A1021-V1059 HydrophobicContact CB-CG2 3.27Å; I1055-V1059 HydrophobicContact CG2-CG1 3.83Å; I1055-V1059 HydrophobicContact CG2-CG2 4.25Å; P1056-V1059 HydrophobicContact CB-CG1 4.4Å; P1056-V1059 WeakPolarHBondContact O-CG1 2.97Å; V1059-V1061 HydrophobicContact CG2-CG2 4.44Å |
| 1060 | K | 91.2 | Very high | 75.5 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.3 | 161.2 | 178 | -176.3 | 175.3 | -172.7 | 0 | 106.2 | L1011 T1012 | L1011-K1060 WeakPolarHBondContact CA-O 3.05Å; T1012-K1060 PolarHBondContact N-O 2.94Å; T1012-K1060 VanDerWaalsContact N-O 3.1Å; T1012-K1060 PolarHBondContact O-N 3.45Å |
| 1061 | V | 90 | Very high | 73.4 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.3 | 172.7 | -170.1 | 0 | 0 | 0 | 0 | 108 | V1009 L1011 A1021 V1059 L1066 | V1009-V1061 HydrophobicContact CB-CG1 3.96Å; V1009-V1061 HydrophobicContact CG1-CG1 4.37Å; V1009-V1061 HydrophobicContact CG2-CG1 3.87Å; L1011-V1061 HydrophobicContact CD2-CB 4.36Å; L1011-V1061 HydrophobicContact CD2-CG1 4.31Å; L1011-V1061 HydrophobicContact CD2-CG2 3.85Å; A1021-V1061 HydrophobicContact CB-CG2 3.58Å; V1059-V1061 HydrophobicContact CG2-CG2 4.44Å; V1061-L1066 HydrophobicContact CB-CD2 4.14Å; V1061-L1066 HydrophobicContact CG1-CD2 3.99Å; V1061-L1066 WeakPolarHBondContact O-CD2 3.35Å |
| 1062 | S | 87.2 | Confident | 70.9 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.8 | 168.9 | -69.6 | 0 | 0 | 0 | 0 | 109 | K1010 | K1010-S1062 PolarHBondContact N-O 3.18Å; K1010-S1062 PolarHBondContact O-N 3.04Å |
| 1063 | A | 77.1 | Confident | 70.2 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | trans | -156.9 | 152.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V1009 N1065 L1066 | V1009-A1063 HydrophobicContact CB-CB 4.12Å; V1009-A1063 HydrophobicContact CG1-CB 3.67Å; A1063-N1065 PolarHBondContact O-N 2.76Å; A1063-L1066 HydrophobicContact CB-CB 4.15Å; A1063-L1066 WeakPolarHBondContact O-CB 3.44Å; A1063-L1066 PolarHBondContact O-N 3.3Å | ||
| 1064 | P | 58.3 | Low | 69.3 | Low | 119 Ų | 119 | 74.5 Ų | 74.5 | 77% | 0.773 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.5 | -168.8 | -30.6 | 36.7 | 0 | 0 | 0 | 116.1 | ||
| 1065 | N | 55.7 | Low | 68.4 | Low | 119 Ų | 119 | 77.9 Ų | 77.9 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 2.9 | 179.9 | -77.5 | -76.8 | 0 | 0 | 0 | 114.6 | A1063 M1067 A1069 | A1063-N1065 PolarHBondContact O-N 2.76Å; N1065-M1067 PolarHBondContact O-N 2.94Å; N1065-A1069 WeakPolarHBondContact O-CB 3.46Å; N1065-A1069 PolarHBondContact O-N 3.45Å |
| 1066 | L | 59.1 | Low | 67.1 | Low | 11 Ų | 11 | 82.2 Ų | 82.2 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.2 | -170.8 | -160 | 73.5 | 0 | 0 | 0 | 114.1 | T1024 V1061 A1063 K1070 | T1024-L1066 HydrophobicContact CG2-CD1 3.99Å; T1024-L1066 HydrophobicContact CG2-CD2 4.24Å; V1061-L1066 HydrophobicContact CB-CD2 4.14Å; V1061-L1066 HydrophobicContact CG1-CD2 3.99Å; V1061-L1066 WeakPolarHBondContact O-CD2 3.35Å; A1063-L1066 HydrophobicContact CB-CB 4.15Å; A1063-L1066 WeakPolarHBondContact O-CB 3.44Å; A1063-L1066 PolarHBondContact O-N 3.3Å; L1066-K1070 WeakPolarHBondContact O-CG 3.26Å |
| 1067 | M | 50.1 | Low | 65.9 | Low | 139 Ų | 139 | 87 Ų | 87 | 69% | 0.685 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -42.1 | 179.6 | -63.4 | -66.7 | -92.4 | 0 | 0 | 111.3 | N1065 A1069 K1070 | N1065-M1067 PolarHBondContact O-N 2.94Å; M1067-A1069 VanDerWaalsContact C-N 3.29Å; M1067-A1069 PolarHBondContact O-N 2.63Å; M1067-K1070 PolarHBondContact O-N 3.47Å; M1067-K1070 VanDerWaalsContact O-N 3.16Å |
| 1068 | A | 49.1 | Very low | 64.7 | Low | 67 Ų | 67 | 90 Ų | 90 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -58 | -42.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1070 K1071 | A1068-K1070 PolarHBondContact O-N 2.94Å; A1068-K1071 PolarHBondContact O-N 2.65Å |
| 1069 | A | 49.8 | Very low | 62.9 | Low | 41 Ų | 41 | 88.4 Ų | 88.4 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -73 | 11.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1065 M1067 | N1065-A1069 WeakPolarHBondContact O-CB 3.46Å; N1065-A1069 PolarHBondContact O-N 3.45Å; M1067-A1069 VanDerWaalsContact C-N 3.29Å; M1067-A1069 PolarHBondContact O-N 2.63Å |
| 1070 | K | 47 | Very low | 60.6 | Low | 125 Ų | 125 | 95.2 Ų | 95.2 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -119.2 | -11.7 | 169.4 | -68.9 | 172.6 | -169.3 | 160 | 0 | 113.8 | L1066 M1067 A1068 K1072 | L1066-K1070 WeakPolarHBondContact O-CG 3.26Å; M1067-K1070 PolarHBondContact O-N 3.47Å; M1067-K1070 VanDerWaalsContact O-N 3.16Å; A1068-K1070 PolarHBondContact O-N 2.94Å; K1070-K1072 VanDerWaalsContact C-N 3.29Å |
| 1071 | K | 39.5 | Very low | 58.1 | Low | 196 Ų | 196 | 93.4 Ų | 93.4 | 85% | 0.852 | 50% | 0.495 | S | S | * | . | trans | -90.9 | 6.5 | 172.8 | -70 | -171.9 | 175.4 | -176.9 | 0 | 112.1 | A1068 | A1068-K1071 PolarHBondContact O-N 2.65Š| ||
| 1072 | K | 34.2 | Very low | 55.2 | Low | 242 Ų | 242 | 101.6 Ų | 101.6 | 100% | 1.052 | 54% | 0.539 | S | S | * | . | trans | -137.8 | 0 | 168.4 | -67.1 | -171.4 | 178.2 | -173.1 | 0 | 108.3 | K1070 | K1070-K1072 VanDerWaalsContact C-N 3.29Š|
Retrieved 1,072 of 1,072 residues in 212.2 ms
(Link to these results)