| 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 | 68.6 | Low | 88.4 | Confident | 99 Ų | 99 | 54.3 Ų | 54.3 | 49% | 0.488 | 31% | 0.306 | S | S | . | . | 0 | 139.1 | 0 | -176.2 | 176.1 | 174.2 | 0 | 0 | 108.8 | Y4 I70 T98 | M1-Y4 HydrophobicContact CE-CE1 3.68Å; M1-Y4 HydrophobicContact CE-CE2 4.18Å; M1-Y4 VanDerWaalsContact CE-CZ 3.43Å; M1-Y4 WeakPolarHBondContact CE-OH 3.5Å; M1-I70 HydrophobicContact CE-CG2 3.68Å; M1-I70 HydrophobicContact SD-CG2 3.15Å; M1-I70 WeakPolarHBondContact SD-CG2 3.18Å; M1-T98 HydrophobicContact CE-CG2 3.15Å; M1-T98 HydrophobicContact SD-CG2 3.43Å; M1-T98 WeakPolarHBondContact SD-CG2 3.45Å | |||
| 2 | K | 78.9 | Confident | 88.5 | Confident | 116 Ų | 116 | 59 Ų | 59 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | trans | -89.9 | 152.4 | 176.2 | -66.5 | 168 | -176.4 | 163.4 | 0 | 110.2 | L7 E46 | K2-L7 HydrophobicContact CB-CD1 4.02Å; K2-L7 HydrophobicContact CB-CD2 3.99Å; K2-L7 HydrophobicContact CB-CG 3.8Å; K2-L7 HydrophobicContact CD-CD2 3.58Å; K2-L7 HydrophobicContact CD-CG 4.33Å; K2-L7 HydrophobicContact CG-CD2 4.47Å; K2-E46 IonicContact NZ-OE2 3.13Å | ||
| 3 | C | 87.3 | Confident | 88.6 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | trans | -68.9 | 134 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 111 | Y5 E6 L7 Y63 R67 L71 | C3-Y5 VanDerWaalsContact C-N 3.3Å; C3-Y5 PolarHBondContact O-N 3.36Å; C3-Y5 PolarHBondContact SG-N 3.23Å; C3-Y5 VanDerWaalsContact SG-N 3.41Å; C3-E6 HydrophobicContact CB-CB 3.97Å; C3-E6 VanDerWaalsContact CB-CD 3.45Å; C3-E6 HydrophobicContact CB-CG 3.84Å; C3-E6 WeakPolarHBondContact O-CB 3.22Å; C3-E6 PolarHBondContact O-N 3.29Å; C3-L7 PolarHBondContact O-N 3.08Å; C3-Y63 WeakPolarHBondContact CA-OH 3.32Å; C3-Y63 PolarHBondContact SG-OH 2.92Å; C3-R67 VanDerWaalsContact SG-CZ 3.55Å; C3-R67 PolarHBondContact SG-NE 3.04Å; C3-R67 PolarHBondContact SG-NH2 3.33Å; C3-L71 HydrophobicContact CB-CD1 3.89Å; C3-L71 HydrophobicContact CB-CD2 4.11Å | ||
| 4 | Y | 91.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.5 | -38.1 | 176.9 | -63.3 | -36.2 | 0 | 0 | 0 | 114 | M1 E6 L7 L8 E49 A50 V53 Y63 | M1-Y4 HydrophobicContact CE-CE1 3.68Å; M1-Y4 HydrophobicContact CE-CE2 4.18Å; M1-Y4 VanDerWaalsContact CE-CZ 3.43Å; M1-Y4 WeakPolarHBondContact CE-OH 3.5Å; Y4-E6 VanDerWaalsContact C-N 3.33Å; Y4-E6 PolarHBondContact O-N 3.48Å; Y4-L7 HydrophobicContact CD1-CD1 4.09Å; Y4-L7 PolarHBondContact O-N 2.97Å; Y4-L8 PolarHBondContact O-N 3.41Å; Y4-E49 HydrophobicContact CE1-CG 4.14Å; Y4-E49 PolarHBondContact OH-OE1 3.4Å; Y4-A50 HydrophobicContact CD1-CB 3.56Å; Y4-A50 HydrophobicContact CE1-CB 4.42Å; Y4-A50 HydrophobicContact CG-CB 3.93Å; Y4-V53 HydrophobicContact CD2-CB 4.13Å; Y4-V53 HydrophobicContact CD2-CG1 3.99Å; Y4-V53 HydrophobicContact CE2-CB 3.9Å; Y4-V53 HydrophobicContact CE2-CG1 3.79Å; Y4-V53 HydrophobicContact CE2-CG2 3.93Å; Y4-Y63 HydrophobicContact CD2-CD1 4.01Å; Y4-Y63 AromaticContact CD2-CD2 3.46Å; Y4-Y63 HydrophobicContact CD2-CD2 3.46Å; Y4-Y63 VanDerWaalsContact CD2-CD2 3.46Å; Y4-Y63 AromaticContact CD2-CE1 3.8Å; Y4-Y63 HydrophobicContact CD2-CE1 3.8Å; Y4-Y63 AromaticContact CD2-CE2 3.23Å; Y4-Y63 HydrophobicContact CD2-CE2 3.23Å; Y4-Y63 AromaticContact CD2-CG 3.84Å; Y4-Y63 HydrophobicContact CD2-CG 3.84Å; Y4-Y63 AromaticContact CD2-CZ 3.41Å; Y4-Y63 VanDerWaalsContact CD2-CZ 3.41Å; Y4-Y63 AromaticContact CE2-CD2 3.47Å; Y4-Y63 HydrophobicContact CE2-CD2 3.47Å; Y4-Y63 VanDerWaalsContact CE2-CD2 3.47Å; Y4-Y63 AromaticContact CE2-CE2 3.43Å; Y4-Y63 HydrophobicContact CE2-CE2 3.43Å; Y4-Y63 VanDerWaalsContact CE2-CE2 3.43Å; Y4-Y63 HydrophobicContact CE2-CG 4.18Å; Y4-Y63 HydrophobicContact CG-CE1 4.32Å; Y4-Y63 HydrophobicContact CG-CE2 4.04Å; Y4-Y63 AromaticContact CG-CZ 3.87Å; Y4-Y63 PolarHBondContact N-OH 3.18Å |
| 5 | Y | 93.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -35.8 | 174.7 | -62.6 | -74.3 | 0 | 0 | 0 | 112.3 | C3 G9 V10 T11 Q12 V14 L54 R60 Y63 D64 | C3-Y5 VanDerWaalsContact C-N 3.3Å; C3-Y5 PolarHBondContact O-N 3.36Å; C3-Y5 PolarHBondContact SG-N 3.23Å; C3-Y5 VanDerWaalsContact SG-N 3.41Å; Y5-G9 PolarHBondContact O-N 3.46Å; Y5-V10 HydrophobicContact CD1-CG2 4.03Å; Y5-V10 PolarHBondContact O-N 3.44Å; Y5-T11 WeakPolarHBondContact CD1-O 3.26Å; Y5-Q12 HydrophobicContact CD2-CG 3.99Å; Y5-Q12 HydrophobicContact CE2-CB 4.49Å; Y5-Q12 HydrophobicContact CE2-CG 4.2Å; Y5-Q12 HydrophobicContact CG-CG 4.26Å; Y5-V14 HydrophobicContact CE1-CG1 4.33Å; Y5-L54 HydrophobicContact CD1-CD1 3.9Å; Y5-L54 HydrophobicContact CD1-CD2 4.36Å; Y5-L54 HydrophobicContact CE1-CD1 3.98Å; Y5-L54 HydrophobicContact CE1-CD2 3.71Å; Y5-L54 HydrophobicContact CE1-CG 4.47Å; Y5-L54 HydrophobicContact CE2-CD2 3.95Å; Y5-L54 HydrophobicContact CG-CD1 4.34Å; Y5-L54 VanDerWaalsContact CZ-CD2 3.47Å; Y5-R60 PolarHBondContact OH-NE 3.37Å; Y5-Y63 AromaticContact CD2-CE1 3.98Å; Y5-Y63 HydrophobicContact CD2-CE1 3.98Å; Y5-Y63 HydrophobicContact CE2-CD1 4.08Å; Y5-Y63 AromaticContact CE2-CE1 3.8Å; Y5-Y63 HydrophobicContact CE2-CE1 3.8Å; Y5-D64 WeakPolarHBondContact CE2-OD1 3.43Å; Y5-D64 VanDerWaalsContact OH-CG 3.3Å; Y5-D64 PolarHBondContact OH-OD1 3.14Å; Y5-D64 PolarHBondContact OH-OD2 3.2Å |
| 6 | E | 92.1 | Very high | 89.2 | Confident | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.3 | -38.5 | 178.1 | -69.9 | 163.5 | -152.3 | 0 | 0 | 111.2 | C3 Y4 L8 G9 R67 | C3-E6 HydrophobicContact CB-CB 3.97Å; C3-E6 VanDerWaalsContact CB-CD 3.45Å; C3-E6 HydrophobicContact CB-CG 3.84Å; C3-E6 WeakPolarHBondContact O-CB 3.22Å; C3-E6 PolarHBondContact O-N 3.29Å; Y4-E6 VanDerWaalsContact C-N 3.33Å; Y4-E6 PolarHBondContact O-N 3.48Å; E6-L8 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 3.07Å; E6-G9 PolarHBondContact O-N 3.3Å; E6-R67 IonicContact OE1-NH2 3.79Å; E6-R67 PolarHBondContact OE1-NH2 2.97Å; E6-R67 VanDerWaalsContact OE1-NH2 3.13Å |
| 7 | L | 90.9 | Very high | 89.4 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 173.4 | -79.4 | 170.6 | 0 | 0 | 0 | 112 | K2 C3 Y4 L26 E46 A50 | K2-L7 HydrophobicContact CB-CD1 4.02Å; K2-L7 HydrophobicContact CB-CD2 3.99Å; K2-L7 HydrophobicContact CB-CG 3.8Å; K2-L7 HydrophobicContact CD-CD2 3.58Å; K2-L7 HydrophobicContact CD-CG 4.33Å; K2-L7 HydrophobicContact CG-CD2 4.47Å; C3-L7 PolarHBondContact O-N 3.08Å; Y4-L7 HydrophobicContact CD1-CD1 4.09Å; Y4-L7 PolarHBondContact O-N 2.97Å; L7-L26 WeakPolarHBondContact O-CD1 3.47Å; L7-E46 HydrophobicContact CD1-CB 4.28Å; L7-E46 HydrophobicContact CD2-CB 4.48Å; L7-A50 HydrophobicContact CB-CB 4.43Å; L7-A50 HydrophobicContact CD1-CB 4.45Å |
| 8 | L | 92.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -84.6 | -9.6 | 177.9 | -68.2 | 179.4 | 0 | 0 | 0 | 113.8 | Y4 E6 V10 L19 L26 I47 A50 L54 | Y4-L8 PolarHBondContact O-N 3.41Å; E6-L8 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 3.07Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 HydrophobicContact CB-CG1 4.47Å; L8-V10 HydrophobicContact CB-CG2 3.82Å; L8-V10 PolarHBondContact O-N 2.94Å; L8-L19 HydrophobicContact CD1-CD1 3.46Å; L8-L19 VanDerWaalsContact CD1-CD1 3.46Å; L8-L26 VanDerWaalsContact CA-CD1 3.47Å; L8-L26 HydrophobicContact CB-CD1 4.36Å; L8-L26 HydrophobicContact CD2-CD1 3.87Å; L8-L26 WeakPolarHBondContact O-CD1 3.26Å; L8-I47 HydrophobicContact CD2-CG2 3.95Å; L8-A50 HydrophobicContact CD1-CB 4.14Å; L8-A50 HydrophobicContact CD2-CB 4.43Å; L8-A50 HydrophobicContact CG-CB 3.98Å; L8-L54 HydrophobicContact CD1-CD1 3.87Å |
| 9 | G | 91.5 | Very high | 89.9 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 72% | 0.722 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 32.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y5 E6 | Y5-G9 PolarHBondContact O-N 3.46Å; E6-G9 PolarHBondContact O-N 3.3Å |
| 10 | V | 93.4 | Very high | 90.2 | Very high | 28 Ų | 28 | 69.7 Ų | 69.7 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | trans | -117.6 | 158.6 | -176.5 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | Y5 L8 V14 L19 A22 | Y5-V10 HydrophobicContact CD1-CG2 4.03Å; Y5-V10 PolarHBondContact O-N 3.44Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 HydrophobicContact CB-CG1 4.47Å; L8-V10 HydrophobicContact CB-CG2 3.82Å; L8-V10 PolarHBondContact O-N 2.94Å; V10-V14 HydrophobicContact CB-CB 4.17Å; V10-V14 HydrophobicContact CB-CG1 4.24Å; V10-V14 HydrophobicContact CB-CG2 4.1Å; V10-V14 HydrophobicContact CG1-CG2 4.2Å; V10-V14 HydrophobicContact CG2-CG1 4.07Å; V10-L19 HydrophobicContact CG2-CD1 4.26Å; V10-A22 HydrophobicContact CG1-CB 3.47Å; V10-A22 VanDerWaalsContact CG1-CB 3.47Å | ||
| 11 | T | 92.8 | Very high | 90.4 | Very high | 102 Ų | 102 | 72.3 Ų | 72.3 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | trans | -78.4 | 159.8 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | Y5 N13 V14 | Y5-T11 WeakPolarHBondContact CD1-O 3.26Å; T11-N13 PolarHBondContact O-N 3.47Å; T11-V14 WeakPolarHBondContact O-CB 3.4Å; T11-V14 WeakPolarHBondContact O-CG1 3.48Å; T11-V14 PolarHBondContact O-N 2.89Å | ||
| 12 | Q | 89.2 | Confident | 91.7 | Very high | 111 Ų | 111 | 68.6 Ų | 68.6 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.5 | -179.8 | -65 | 174.2 | 34.3 | 0 | 0 | 112.9 | Y5 V14 R60 | Y5-Q12 HydrophobicContact CD2-CG 3.99Å; Y5-Q12 HydrophobicContact CE2-CB 4.49Å; Y5-Q12 HydrophobicContact CE2-CG 4.2Å; Y5-Q12 HydrophobicContact CG-CG 4.26Å; Q12-V14 VanDerWaalsContact C-N 3.32Å; Q12-V14 PolarHBondContact O-N 3.45Å; Q12-R60 PolarHBondContact O-NH2 3.44Å |
| 13 | N | 89.6 | Confident | 92.5 | Very high | 151 Ų | 151 | 65.7 Ų | 65.7 | 81% | 0.807 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 20.1 | -179.9 | -62.1 | -26.3 | 0 | 0 | 0 | 112.9 | T11 | T11-N13 PolarHBondContact O-N 3.47Š|
| 14 | V | 91.5 | Very high | 92.8 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 9% | 0.085 | 38% | 0.377 | C | S | . | . | trans | -63.9 | 135.1 | -176.4 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | Y5 V10 T11 Q12 D18 L19 R60 | Y5-V14 HydrophobicContact CE1-CG1 4.33Å; V10-V14 HydrophobicContact CB-CB 4.17Å; V10-V14 HydrophobicContact CB-CG1 4.24Å; V10-V14 HydrophobicContact CB-CG2 4.1Å; V10-V14 HydrophobicContact CG1-CG2 4.2Å; V10-V14 HydrophobicContact CG2-CG1 4.07Å; T11-V14 WeakPolarHBondContact O-CB 3.4Å; T11-V14 WeakPolarHBondContact O-CG1 3.48Å; T11-V14 PolarHBondContact O-N 2.89Å; Q12-V14 VanDerWaalsContact C-N 3.32Å; Q12-V14 PolarHBondContact O-N 3.45Å; V14-D18 HydrophobicContact CG2-CB 3.72Å; V14-L19 HydrophobicContact CG1-CB 4.3Å; V14-L19 HydrophobicContact CG1-CD1 4.19Å; V14-L19 HydrophobicContact CG2-CB 4.39Å; V14-R60 PolarHBondContact O-NH1 2.93Å; V14-R60 PolarHBondContact O-NH2 3.43Å | ||
| 15 | E | 93.1 | Very high | 93 | Very high | 139 Ų | 139 | 79.3 Ų | 79.3 | 65% | 0.65 | 40% | 0.403 | S | S | * | . | trans | -73 | 154 | 171.2 | -66.2 | -171.5 | 173.9 | 0 | 0 | 111.2 | V17 D18 L19 | E15-V17 PolarHBondContact O-N 3.27Å; E15-V17 VanDerWaalsContact O-N 3.14Å; E15-D18 PolarHBondContact O-N 2.89Å; E15-D18 VanDerWaalsContact O-N 3.12Å; E15-L19 PolarHBondContact O-N 2.92Å | ||
| 16 | Q | 91.5 | Very high | 93 | Very high | 86 Ų | 86 | 80.4 Ų | 80.4 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.6 | -35 | -177.2 | -168.1 | 69.6 | 5.6 | 0 | 0 | 113 | K20 S55 | Q16-K20 PolarHBondContact O-N 2.81Å; Q16-K20 VanDerWaalsContact O-N 3.09Å; Q16-S55 PolarHBondContact NE2-O 3.38Å |
| 17 | V | 92.9 | Very high | 93 | Very high | 89 Ų | 89 | 75 Ų | 75 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | E15 K20 K21 | E15-V17 PolarHBondContact O-N 3.27Å; E15-V17 VanDerWaalsContact O-N 3.14Å; V17-K20 PolarHBondContact O-N 3.35Å; V17-K21 WeakPolarHBondContact O-CG 3.2Å; V17-K21 PolarHBondContact O-N 3.1Å; V17-K21 VanDerWaalsContact O-N 3.13Å |
| 18 | D | 94.3 | Very high | 93 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.8 | -32.1 | -178.7 | -68.3 | -26.8 | 0 | 0 | 0 | 112.1 | V14 E15 K20 K21 A22 | V14-D18 HydrophobicContact CG2-CB 3.72Å; E15-D18 PolarHBondContact O-N 2.89Å; E15-D18 VanDerWaalsContact O-N 3.12Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 3.36Å; D18-K21 PolarHBondContact O-N 3.42Å; D18-K21 IonicContact OD1-NZ 3.6Å; D18-K21 PolarHBondContact OD1-NZ 3.42Å; D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 2.8Å |
| 19 | L | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 170 | -176.2 | 68.7 | 0 | 0 | 0 | 111.2 | L8 V10 V14 E15 A22 Y23 Y51 L54 | L8-L19 HydrophobicContact CD1-CD1 3.46Å; L8-L19 VanDerWaalsContact CD1-CD1 3.46Å; V10-L19 HydrophobicContact CG2-CD1 4.26Å; V14-L19 HydrophobicContact CG1-CB 4.3Å; V14-L19 HydrophobicContact CG1-CD1 4.19Å; V14-L19 HydrophobicContact CG2-CB 4.39Å; E15-L19 PolarHBondContact O-N 2.92Å; L19-A22 PolarHBondContact O-N 3.45Å; L19-Y23 WeakPolarHBondContact O-CB 3.41Å; L19-Y23 PolarHBondContact O-N 2.97Å; L19-Y51 HydrophobicContact CG-CD2 4.2Å; L19-Y51 HydrophobicContact CG-CE2 4.39Å; L19-L54 HydrophobicContact CD1-CB 4.1Å; L19-L54 HydrophobicContact CD1-CD1 4.13Å; L19-L54 HydrophobicContact CD2-CB 3.74Å; L19-L54 WeakPolarHBondContact CD2-O 3.47Å |
| 20 | K | 94.4 | Very high | 92.9 | Very high | 134 Ų | 134 | 81.9 Ų | 81.9 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 176.7 | -172.4 | 176.6 | -179.9 | 178.5 | 0 | 112.2 | Q16 V17 D18 Y23 Y24 Y51 | Q16-K20 PolarHBondContact O-N 2.81Å; Q16-K20 VanDerWaalsContact O-N 3.09Å; V17-K20 PolarHBondContact O-N 3.35Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 3.36Å; K20-Y23 PolarHBondContact O-N 3.21Å; K20-Y24 WeakPolarHBondContact O-CB 3.29Å; K20-Y24 PolarHBondContact O-N 3.21Å; K20-Y51 HydrophobicContact CB-CE2 4.44Å |
| 21 | K | 94.7 | Very high | 92.7 | Very high | 125 Ų | 125 | 84.2 Ų | 84.2 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.4 | -69 | 173.9 | -166.7 | 154.9 | 0 | 111.9 | V17 D18 Y24 K25 | V17-K21 WeakPolarHBondContact O-CG 3.2Å; V17-K21 PolarHBondContact O-N 3.1Å; V17-K21 VanDerWaalsContact O-N 3.13Å; D18-K21 PolarHBondContact O-N 3.42Å; D18-K21 IonicContact OD1-NZ 3.6Å; D18-K21 PolarHBondContact OD1-NZ 3.42Å; K21-Y24 PolarHBondContact O-N 2.71Å; K21-K25 PolarHBondContact O-N 2.92Å |
| 22 | A | 95.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 82 Ų | 82 | 17% | 0.165 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V10 D18 L19 Y24 K25 L26 | V10-A22 HydrophobicContact CG1-CB 3.47Å; V10-A22 VanDerWaalsContact CG1-CB 3.47Å; D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 2.8Å; L19-A22 PolarHBondContact O-N 3.45Å; A22-Y24 PolarHBondContact O-N 3.22Å; A22-K25 PolarHBondContact O-N 3.42Å; A22-L26 PolarHBondContact O-N 3.42Å |
| 23 | Y | 95.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 83.1 Ų | 83.1 | 22% | 0.216 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.3 | 171.8 | -106.8 | 0 | 0 | 0 | 112.4 | L19 K20 K25 L26 S27 I47 Q48 Y51 | L19-Y23 WeakPolarHBondContact O-CB 3.41Å; L19-Y23 PolarHBondContact O-N 2.97Å; K20-Y23 PolarHBondContact O-N 3.21Å; Y23-K25 PolarHBondContact O-N 2.85Å; Y23-L26 PolarHBondContact O-N 3.34Å; Y23-S27 WeakPolarHBondContact CD2-OG 3.28Å; Y23-S27 WeakPolarHBondContact CE2-OG 3.4Å; Y23-S27 VanDerWaalsContact CZ-OG 3.26Å; Y23-S27 WeakPolarHBondContact O-CB 3.32Å; Y23-S27 PolarHBondContact O-N 3.17Å; Y23-S27 PolarHBondContact O-OG 3.41Å; Y23-I47 HydrophobicContact CD2-CG2 3.78Å; Y23-I47 HydrophobicContact CE2-CG2 4.01Å; Y23-Q48 HydrophobicContact CE2-CG 4.37Å; Y23-Y51 VanDerWaalsContact CB-CD2 3.45Å; Y23-Y51 AromaticContact CD1-CD1 3.97Å; Y23-Y51 HydrophobicContact CD1-CD1 3.97Å; Y23-Y51 HydrophobicContact CD1-CD2 4.09Å; Y23-Y51 HydrophobicContact CD1-CE1 4.07Å; Y23-Y51 HydrophobicContact CD1-CE2 4.18Å; Y23-Y51 AromaticContact CD1-CG 3.98Å; Y23-Y51 HydrophobicContact CD1-CG 3.98Å; Y23-Y51 HydrophobicContact CD2-CD1 4.05Å; Y23-Y51 HydrophobicContact CD2-CD2 4.07Å; Y23-Y51 AromaticContact CD2-CG 3.56Å; Y23-Y51 HydrophobicContact CD2-CG 3.56Å; Y23-Y51 HydrophobicContact CE1-CD1 4.04Å; Y23-Y51 HydrophobicContact CE1-CE1 4.18Å; Y23-Y51 HydrophobicContact CE1-CG 4.43Å; Y23-Y51 HydrophobicContact CE2-CD1 4.1Å; Y23-Y51 HydrophobicContact CE2-CG 4.04Å; Y23-Y51 AromaticContact CG-CD1 3.97Å; Y23-Y51 HydrophobicContact CG-CD1 3.97Å; Y23-Y51 AromaticContact CG-CD2 3.6Å; Y23-Y51 HydrophobicContact CG-CD2 3.6Å; Y23-Y51 HydrophobicContact CG-CE1 4.44Å; Y23-Y51 HydrophobicContact CG-CE2 4.1Å; Y23-Y51 AromaticContact CG-CG 3.51Å; Y23-Y51 HydrophobicContact CG-CG 3.51Å |
| 24 | Y | 94.7 | Very high | 92.3 | Very high | 163 Ų | 163 | 81.9 Ų | 81.9 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 178.7 | -178.3 | -103.9 | 0 | 0 | 0 | 111.9 | K20 K21 A22 S27 L28 | K20-Y24 WeakPolarHBondContact O-CB 3.29Å; K20-Y24 PolarHBondContact O-N 3.21Å; K21-Y24 PolarHBondContact O-N 2.71Å; A22-Y24 PolarHBondContact O-N 3.22Å; Y24-S27 PolarHBondContact O-N 3.47Å; Y24-L28 WeakPolarHBondContact O-CB 3.44Å; Y24-L28 PolarHBondContact O-N 3.3Å |
| 25 | K | 94.4 | Very high | 91.7 | Very high | 135 Ų | 135 | 84.6 Ų | 84.6 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 177.9 | -175.4 | 179.8 | 178.8 | -176.8 | 0 | 111.8 | K21 A22 Y23 L28 Q29 | K21-K25 PolarHBondContact O-N 2.92Å; A22-K25 PolarHBondContact O-N 3.42Å; Y23-K25 PolarHBondContact O-N 2.85Å; K25-L28 PolarHBondContact O-N 3.34Å; K25-Q29 VanDerWaalsContact O-CG 3.31Å; K25-Q29 WeakPolarHBondContact O-CG 3.47Å; K25-Q29 PolarHBondContact O-N 2.78Å |
| 26 | L | 93.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 84.4 Ų | 84.4 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | -179.7 | -74.6 | 169.8 | 0 | 0 | 0 | 112.5 | L7 L8 A22 Y23 L28 Q29 W30 I47 | L7-L26 WeakPolarHBondContact O-CD1 3.47Å; L8-L26 VanDerWaalsContact CA-CD1 3.47Å; L8-L26 HydrophobicContact CB-CD1 4.36Å; L8-L26 HydrophobicContact CD2-CD1 3.87Å; L8-L26 WeakPolarHBondContact O-CD1 3.26Å; A22-L26 PolarHBondContact O-N 3.42Å; Y23-L26 PolarHBondContact O-N 3.34Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 2.71Å; L26-Q29 PolarHBondContact O-N 2.83Å; L26-Q29 VanDerWaalsContact O-N 3.12Å; L26-W30 PolarHBondContact O-N 3.44Å; L26-I47 HydrophobicContact CB-CD1 4.05Å; L26-I47 HydrophobicContact CB-CG2 4.18Å |
| 27 | S | 92.6 | Very high | 90.8 | Very high | 16 Ų | 16 | 84.1 Ų | 84.1 | 11% | 0.112 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 175.8 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | Y23 Y24 Q29 H31 | Y23-S27 WeakPolarHBondContact CD2-OG 3.28Å; Y23-S27 WeakPolarHBondContact CE2-OG 3.4Å; Y23-S27 VanDerWaalsContact CZ-OG 3.26Å; Y23-S27 WeakPolarHBondContact O-CB 3.32Å; Y23-S27 PolarHBondContact O-N 3.17Å; Y23-S27 PolarHBondContact O-OG 3.41Å; Y24-S27 PolarHBondContact O-N 3.47Å; S27-Q29 VanDerWaalsContact C-N 3.34Å; S27-H31 WeakPolarHBondContact O-CB 3.38Å; S27-H31 PolarHBondContact O-N 3.19Å |
| 28 | L | 91.5 | Very high | 90.1 | Very high | 81 Ų | 81 | 88.2 Ų | 88.2 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.4 | -30.9 | 175.9 | -167.5 | 65.8 | 0 | 0 | 0 | 112.5 | Y24 K25 L26 K34 | Y24-L28 WeakPolarHBondContact O-CB 3.44Å; Y24-L28 PolarHBondContact O-N 3.3Å; K25-L28 PolarHBondContact O-N 3.34Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 2.71Å; L28-K34 HydrophobicContact CD1-CD 4.38Å; L28-K34 VanDerWaalsContact O-CD 3.3Å; L28-K34 WeakPolarHBondContact O-CD 3.46Å |
| 29 | Q | 90.3 | Very high | 89.6 | Confident | 91 Ų | 91 | 90.2 Ų | 90.2 | 43% | 0.425 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.7 | -43.2 | 177.2 | -72.5 | 175.2 | 5.9 | 0 | 0 | 111.8 | K25 L26 S27 N35 | K25-Q29 VanDerWaalsContact O-CG 3.31Å; K25-Q29 WeakPolarHBondContact O-CG 3.47Å; K25-Q29 PolarHBondContact O-N 2.78Å; L26-Q29 PolarHBondContact O-N 2.83Å; L26-Q29 VanDerWaalsContact O-N 3.12Å; S27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-N35 PolarHBondContact O-ND2 2.81Å |
| 30 | W | 91 | Very high | 89.3 | Confident | 79 Ų | 79 | 90.2 Ų | 90.2 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -101.5 | 23 | -175.5 | -63 | 102.4 | 0 | 0 | 0 | 112.8 | L26 T40 I43 F44 I47 | L26-W30 PolarHBondContact O-N 3.44Å; W30-T40 HydrophobicContact CB-CG2 4.36Å; W30-T40 HydrophobicContact CE3-CG2 4.14Å; W30-T40 WeakPolarHBondContact O-CG2 3.34Å; W30-I43 HydrophobicContact CD2-CB 4.33Å; W30-I43 HydrophobicContact CD2-CG2 3.66Å; W30-I43 HydrophobicContact CE3-CB 4.23Å; W30-I43 HydrophobicContact CE3-CD1 4.06Å; W30-I43 HydrophobicContact CE3-CG2 4.05Å; W30-I43 HydrophobicContact CG-CG2 3.87Å; W30-I43 HydrophobicContact CH2-CD1 3.71Å; W30-I43 HydrophobicContact CZ2-CD1 4.27Å; W30-I43 HydrophobicContact CZ2-CG2 4.37Å; W30-I43 HydrophobicContact CZ3-CD1 3.59Å; W30-F44 HydrophobicContact CB-CB 4.37Å; W30-F44 HydrophobicContact CB-CD2 4.38Å; W30-F44 WeakPolarHBondContact O-CB 3.4Å; W30-F44 WeakPolarHBondContact O-CD2 3.29Å; W30-F44 WeakPolarHBondContact O-CG 3.43Å; W30-I47 HydrophobicContact CB-CD1 3.99Å; W30-I47 VanDerWaalsContact CD1-CD1 3.41Å; W30-I47 HydrophobicContact CG-CD1 3.83Å |
| 31 | H | 89.8 | Confident | 89 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | trans | -68.9 | 131.3 | 175.6 | -161.9 | -93.1 | 0 | 0 | 0 | 109.6 | S27 D33 K34 N35 | S27-H31 WeakPolarHBondContact O-CB 3.38Å; S27-H31 PolarHBondContact O-N 3.19Å; H31-D33 WeakPolarHBondContact ND1-CB 3.35Å; H31-D33 PolarHBondContact ND1-N 3.34Å; H31-D33 PolarHBondContact O-N 2.79Å; H31-D33 VanDerWaalsContact O-N 3.08Å; H31-K34 PolarHBondContact O-N 3.38Å; H31-N35 PolarHBondContact O-N 3.48Å; H31-N35 VanDerWaalsContact O-N 3.08Å | ||
| 32 | P | 88.3 | Confident | 88.6 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.6 | -178.1 | 23.7 | -34.5 | 0 | 0 | 0 | 113.3 | ||
| 33 | D | 88.7 | Confident | 88.3 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30.9 | 174.3 | -165.8 | 41.2 | 0 | 0 | 0 | 113.3 | H31 | H31-D33 WeakPolarHBondContact ND1-CB 3.35Å; H31-D33 PolarHBondContact ND1-N 3.34Å; H31-D33 PolarHBondContact O-N 2.79Å; H31-D33 VanDerWaalsContact O-N 3.08Å |
| 34 | K | 86.2 | Confident | 88 | Confident | 124 Ų | 124 | 84.3 Ų | 84.3 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -30.7 | -177.9 | -72.5 | -176.4 | 172 | -165.2 | 0 | 113 | L28 H31 | L28-K34 HydrophobicContact CD1-CD 4.38Å; L28-K34 VanDerWaalsContact O-CD 3.3Å; L28-K34 WeakPolarHBondContact O-CD 3.46Å; H31-K34 PolarHBondContact O-N 3.38Å |
| 35 | N | 79.4 | Confident | 87.7 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | trans | -129 | 108.4 | 179.8 | -81 | -39.7 | 0 | 0 | 0 | 109.2 | Q29 H31 T37 T40 | Q29-N35 PolarHBondContact O-ND2 2.81Å; H31-N35 PolarHBondContact O-N 3.48Å; H31-N35 VanDerWaalsContact O-N 3.08Å; N35-T37 VanDerWaalsContact C-N 3.26Å; N35-T37 PolarHBondContact O-N 3.31Å; N35-T40 HydrophobicContact CB-CG2 3.8Å; N35-T40 WeakPolarHBondContact CB-OG1 3.1Å; N35-T40 WeakPolarHBondContact O-CB 3.27Å; N35-T40 WeakPolarHBondContact O-CG2 3.41Å | ||
| 36 | T | 79.6 | Confident | 87.4 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 83% | 0.828 | 40% | 0.403 | S | S | * | . | trans | -86.5 | 13 | -174.6 | -37.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 37 | T | 84.3 | Confident | 87.4 | Confident | 80 Ų | 80 | 76.5 Ų | 76.5 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | trans | -76 | 143.5 | 177.6 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | N35 D39 T40 | N35-T37 VanDerWaalsContact C-N 3.26Å; N35-T37 PolarHBondContact O-N 3.31Å; T37-D39 PolarHBondContact O-N 2.89Å; T37-T40 VanDerWaalsContact O-CB 3.23Å; T37-T40 WeakPolarHBondContact O-CB 3.31Å; T37-T40 PolarHBondContact O-N 2.78Å; T37-T40 PolarHBondContact OG1-OG1 2.9Å | ||
| 38 | E | 79 | Confident | 87.4 | Confident | 176 Ų | 176 | 78.9 Ų | 78.9 | 82% | 0.822 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -56.9 | -38.1 | 179.8 | -65.2 | -179.5 | 176.3 | 0 | 0 | 111.9 | T40 T41 | E38-T40 PolarHBondContact O-N 3.48Å; E38-T41 PolarHBondContact O-N 3.13Å |
| 39 | D | 84.7 | Confident | 87.3 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.1 | -29.4 | 176.3 | -65.6 | -22.7 | 0 | 0 | 0 | 113.1 | T37 T41 V42 I43 | T37-D39 PolarHBondContact O-N 2.89Å; D39-T41 VanDerWaalsContact C-N 3.29Å; D39-T41 PolarHBondContact O-N 2.92Å; D39-V42 PolarHBondContact O-N 3.32Å; D39-I43 HydrophobicContact CB-CD1 4.34Å; D39-I43 WeakPolarHBondContact O-CB 3.31Å; D39-I43 VanDerWaalsContact O-CG1 3.27Å; D39-I43 WeakPolarHBondContact O-CG1 3.22Å; D39-I43 PolarHBondContact O-N 2.97Å |
| 40 | T | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | -179.8 | -67 | 0 | 0 | 0 | 0 | 110.9 | W30 N35 T37 E38 V42 I43 F44 | W30-T40 HydrophobicContact CB-CG2 4.36Å; W30-T40 HydrophobicContact CE3-CG2 4.14Å; W30-T40 WeakPolarHBondContact O-CG2 3.34Å; N35-T40 HydrophobicContact CB-CG2 3.8Å; N35-T40 WeakPolarHBondContact CB-OG1 3.1Å; N35-T40 WeakPolarHBondContact O-CB 3.27Å; N35-T40 WeakPolarHBondContact O-CG2 3.41Å; T37-T40 VanDerWaalsContact O-CB 3.23Å; T37-T40 WeakPolarHBondContact O-CB 3.31Å; T37-T40 PolarHBondContact O-N 2.78Å; T37-T40 PolarHBondContact OG1-OG1 2.9Å; E38-T40 PolarHBondContact O-N 3.48Å; T40-V42 VanDerWaalsContact C-N 3.34Å; T40-V42 PolarHBondContact O-N 2.79Å; T40-I43 PolarHBondContact O-N 2.9Å; T40-F44 WeakPolarHBondContact O-CB 3.33Å; T40-F44 PolarHBondContact O-N 3.4Å |
| 41 | T | 86.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 70 Ų | 70 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 111 | E38 D39 Q45 | E38-T41 PolarHBondContact O-N 3.13Å; D39-T41 VanDerWaalsContact C-N 3.29Å; D39-T41 PolarHBondContact O-N 2.92Å; T41-Q45 VanDerWaalsContact O-CG 3.26Å; T41-Q45 WeakPolarHBondContact O-CG 3.36Å; T41-Q45 PolarHBondContact O-N 3.3Å |
| 42 | V | 86.5 | Confident | 87.5 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.1 | -49.2 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | D39 T40 F44 Q45 E46 | D39-V42 PolarHBondContact O-N 3.32Å; T40-V42 VanDerWaalsContact C-N 3.34Å; T40-V42 PolarHBondContact O-N 2.79Å; V42-F44 VanDerWaalsContact C-N 3.32Å; V42-F44 PolarHBondContact O-N 3.15Å; V42-Q45 WeakPolarHBondContact O-CB 3.48Å; V42-Q45 PolarHBondContact O-N 2.83Å; V42-E46 WeakPolarHBondContact O-CG 3.25Å; V42-E46 PolarHBondContact O-N 3.46Å |
| 43 | I | 88.8 | Confident | 87.6 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 179.5 | -66.8 | 166 | 0 | 0 | 0 | 110.9 | W30 D39 T40 Q45 E46 I47 | W30-I43 HydrophobicContact CD2-CB 4.33Å; W30-I43 HydrophobicContact CD2-CG2 3.66Å; W30-I43 HydrophobicContact CE3-CB 4.23Å; W30-I43 HydrophobicContact CE3-CD1 4.06Å; W30-I43 HydrophobicContact CE3-CG2 4.05Å; W30-I43 HydrophobicContact CG-CG2 3.87Å; W30-I43 HydrophobicContact CH2-CD1 3.71Å; W30-I43 HydrophobicContact CZ2-CD1 4.27Å; W30-I43 HydrophobicContact CZ2-CG2 4.37Å; W30-I43 HydrophobicContact CZ3-CD1 3.59Å; D39-I43 HydrophobicContact CB-CD1 4.34Å; D39-I43 WeakPolarHBondContact O-CB 3.31Å; D39-I43 VanDerWaalsContact O-CG1 3.27Å; D39-I43 WeakPolarHBondContact O-CG1 3.22Å; D39-I43 PolarHBondContact O-N 2.97Å; T40-I43 PolarHBondContact O-N 2.9Å; I43-Q45 VanDerWaalsContact C-N 3.35Å; I43-Q45 PolarHBondContact O-N 3.3Å; I43-E46 WeakPolarHBondContact O-CB 3.35Å; I43-E46 PolarHBondContact O-N 2.99Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 WeakPolarHBondContact O-CD1 3.29Å; I43-I47 VanDerWaalsContact O-CG1 3.3Å; I43-I47 WeakPolarHBondContact O-CG1 3.45Å; I43-I47 PolarHBondContact O-N 3.37Å |
| 44 | F | 90.8 | Very high | 87.8 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.6 | -174.4 | -119 | 0 | 0 | 0 | 112.1 | W30 T40 V42 I47 Q48 | W30-F44 HydrophobicContact CB-CB 4.37Å; W30-F44 HydrophobicContact CB-CD2 4.38Å; W30-F44 WeakPolarHBondContact O-CB 3.4Å; W30-F44 WeakPolarHBondContact O-CD2 3.29Å; W30-F44 WeakPolarHBondContact O-CG 3.43Å; T40-F44 WeakPolarHBondContact O-CB 3.33Å; T40-F44 PolarHBondContact O-N 3.4Å; V42-F44 VanDerWaalsContact C-N 3.32Å; V42-F44 PolarHBondContact O-N 3.15Å; F44-I47 PolarHBondContact O-N 2.93Å; F44-Q48 HydrophobicContact CZ-CG 4.49Å; F44-Q48 WeakPolarHBondContact O-CG 3.44Å; F44-Q48 PolarHBondContact O-N 2.87Å |
| 45 | Q | 87.8 | Confident | 88.1 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.5 | -72.5 | 174.3 | 11.9 | 0 | 0 | 111.8 | T41 V42 I43 I47 Q48 E49 | T41-Q45 VanDerWaalsContact O-CG 3.26Å; T41-Q45 WeakPolarHBondContact O-CG 3.36Å; T41-Q45 PolarHBondContact O-N 3.3Å; V42-Q45 WeakPolarHBondContact O-CB 3.48Å; V42-Q45 PolarHBondContact O-N 2.83Å; I43-Q45 VanDerWaalsContact C-N 3.35Å; I43-Q45 PolarHBondContact O-N 3.3Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-I47 PolarHBondContact O-N 2.87Å; Q45-Q48 PolarHBondContact O-N 3.27Å; Q45-E49 WeakPolarHBondContact O-CB 3.37Å; Q45-E49 PolarHBondContact O-N 3.23Å |
| 46 | E | 89.3 | Confident | 88.7 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 174.4 | -69.9 | -174.9 | 164.8 | 0 | 0 | 111.8 | K2 L7 V42 I43 E49 A50 | K2-E46 IonicContact NZ-OE2 3.13Å; L7-E46 HydrophobicContact CD1-CB 4.28Å; L7-E46 HydrophobicContact CD2-CB 4.48Å; V42-E46 WeakPolarHBondContact O-CG 3.25Å; V42-E46 PolarHBondContact O-N 3.46Å; I43-E46 WeakPolarHBondContact O-CB 3.35Å; I43-E46 PolarHBondContact O-N 2.99Å; E46-E49 PolarHBondContact O-N 2.97Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 3.19Å |
| 47 | I | 92.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 177.1 | -71.5 | 159.4 | 0 | 0 | 0 | 111.3 | L8 Y23 L26 W30 I43 F44 Q45 E49 A50 Y51 | L8-I47 HydrophobicContact CD2-CG2 3.95Å; Y23-I47 HydrophobicContact CD2-CG2 3.78Å; Y23-I47 HydrophobicContact CE2-CG2 4.01Å; L26-I47 HydrophobicContact CB-CD1 4.05Å; L26-I47 HydrophobicContact CB-CG2 4.18Å; W30-I47 HydrophobicContact CB-CD1 3.99Å; W30-I47 VanDerWaalsContact CD1-CD1 3.41Å; W30-I47 HydrophobicContact CG-CD1 3.83Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 WeakPolarHBondContact O-CD1 3.29Å; I43-I47 VanDerWaalsContact O-CG1 3.3Å; I43-I47 WeakPolarHBondContact O-CG1 3.45Å; I43-I47 PolarHBondContact O-N 3.37Å; F44-I47 PolarHBondContact O-N 2.93Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-I47 PolarHBondContact O-N 2.87Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.14Å; I47-A50 PolarHBondContact O-N 2.66Å; I47-Y51 PolarHBondContact O-N 3.46Å |
| 48 | Q | 91.7 | Very high | 89.5 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.5 | -74.2 | -174.4 | 6.7 | 0 | 0 | 111.7 | Y23 F44 Q45 K52 | Y23-Q48 HydrophobicContact CE2-CG 4.37Å; F44-Q48 HydrophobicContact CZ-CG 4.49Å; F44-Q48 WeakPolarHBondContact O-CG 3.44Å; F44-Q48 PolarHBondContact O-N 2.87Å; Q45-Q48 PolarHBondContact O-N 3.27Å; Q48-K52 WeakPolarHBondContact O-CB 3.39Å; Q48-K52 PolarHBondContact O-N 3.18Å |
| 49 | E | 89.3 | Confident | 89.9 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | 176.1 | -179.3 | 173.9 | -171.2 | 0 | 0 | 111.4 | Y4 Q45 E46 I47 Y51 K52 V53 T98 R99 S100 | Y4-E49 HydrophobicContact CE1-CG 4.14Å; Y4-E49 PolarHBondContact OH-OE1 3.4Å; Q45-E49 WeakPolarHBondContact O-CB 3.37Å; Q45-E49 PolarHBondContact O-N 3.23Å; E46-E49 PolarHBondContact O-N 2.97Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.14Å; E49-Y51 VanDerWaalsContact C-N 3.32Å; E49-Y51 PolarHBondContact O-N 2.85Å; E49-K52 PolarHBondContact O-N 3Å; E49-V53 PolarHBondContact O-N 2.89Å; E49-T98 VanDerWaalsContact OE1-C 3.29Å; E49-T98 WeakPolarHBondContact OE1-CA 3.45Å; E49-T98 WeakPolarHBondContact OE1-CB 3.48Å; E49-R99 HydrophobicContact CG-CB 4.31Å; E49-R99 PolarHBondContact OE1-N 2.85Å; E49-S100 WeakPolarHBondContact OE2-CB 3.35Å; E49-S100 PolarHBondContact OE2-N 3.44Å; E49-S100 PolarHBondContact OE2-OG 3.22Å |
| 50 | A | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y4 L7 L8 E46 I47 L54 | Y4-A50 HydrophobicContact CD1-CB 3.56Å; Y4-A50 HydrophobicContact CE1-CB 4.42Å; Y4-A50 HydrophobicContact CG-CB 3.93Å; L7-A50 HydrophobicContact CB-CB 4.43Å; L7-A50 HydrophobicContact CD1-CB 4.45Å; L8-A50 HydrophobicContact CD1-CB 4.14Å; L8-A50 HydrophobicContact CD2-CB 4.43Å; L8-A50 HydrophobicContact CG-CB 3.98Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 3.19Å; I47-A50 PolarHBondContact O-N 2.66Å; A50-L54 VanDerWaalsContact O-CB 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.35Å; A50-L54 VanDerWaalsContact O-CG 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.41Å; A50-L54 PolarHBondContact O-N 3.48Å |
| 51 | Y | 93.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 52.1 Ų | 52.1 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.1 | 177.9 | -105.7 | 0 | 0 | 0 | 112.2 | L19 K20 Y23 I47 E49 V53 L54 S55 | L19-Y51 HydrophobicContact CG-CD2 4.2Å; L19-Y51 HydrophobicContact CG-CE2 4.39Å; K20-Y51 HydrophobicContact CB-CE2 4.44Å; Y23-Y51 VanDerWaalsContact CB-CD2 3.45Å; Y23-Y51 AromaticContact CD1-CD1 3.97Å; Y23-Y51 HydrophobicContact CD1-CD1 3.97Å; Y23-Y51 HydrophobicContact CD1-CD2 4.09Å; Y23-Y51 HydrophobicContact CD1-CE1 4.07Å; Y23-Y51 HydrophobicContact CD1-CE2 4.18Å; Y23-Y51 AromaticContact CD1-CG 3.98Å; Y23-Y51 HydrophobicContact CD1-CG 3.98Å; Y23-Y51 HydrophobicContact CD2-CD1 4.05Å; Y23-Y51 HydrophobicContact CD2-CD2 4.07Å; Y23-Y51 AromaticContact CD2-CG 3.56Å; Y23-Y51 HydrophobicContact CD2-CG 3.56Å; Y23-Y51 HydrophobicContact CE1-CD1 4.04Å; Y23-Y51 HydrophobicContact CE1-CE1 4.18Å; Y23-Y51 HydrophobicContact CE1-CG 4.43Å; Y23-Y51 HydrophobicContact CE2-CD1 4.1Å; Y23-Y51 HydrophobicContact CE2-CG 4.04Å; Y23-Y51 AromaticContact CG-CD1 3.97Å; Y23-Y51 HydrophobicContact CG-CD1 3.97Å; Y23-Y51 AromaticContact CG-CD2 3.6Å; Y23-Y51 HydrophobicContact CG-CD2 3.6Å; Y23-Y51 HydrophobicContact CG-CE1 4.44Å; Y23-Y51 HydrophobicContact CG-CE2 4.1Å; Y23-Y51 AromaticContact CG-CG 3.51Å; Y23-Y51 HydrophobicContact CG-CG 3.51Å; I47-Y51 PolarHBondContact O-N 3.46Å; E49-Y51 VanDerWaalsContact C-N 3.32Å; E49-Y51 PolarHBondContact O-N 2.85Å; Y51-V53 VanDerWaalsContact C-N 3.35Å; Y51-V53 PolarHBondContact O-N 3.46Å; Y51-L54 PolarHBondContact O-N 3.47Å; Y51-S55 WeakPolarHBondContact O-CB 3.26Å; Y51-S55 PolarHBondContact O-N 3.44Å; Y51-S55 PolarHBondContact O-OG 3.48Å |
| 52 | K | 91.3 | Very high | 90.4 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 178.7 | -176.5 | 175.4 | 178.9 | 173.9 | 0 | 112 | Q48 E49 S55 | Q48-K52 WeakPolarHBondContact O-CB 3.39Å; Q48-K52 PolarHBondContact O-N 3.18Å; E49-K52 PolarHBondContact O-N 3Å; K52-S55 PolarHBondContact O-OG 2.97Å; K52-S55 VanDerWaalsContact O-OG 3.11Å |
| 53 | V | 90.1 | Very high | 90.5 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.3 | -42.8 | -179.7 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | Y4 E49 Y51 E59 R60 Y63 | Y4-V53 HydrophobicContact CD2-CB 4.13Å; Y4-V53 HydrophobicContact CD2-CG1 3.99Å; Y4-V53 HydrophobicContact CE2-CB 3.9Å; Y4-V53 HydrophobicContact CE2-CG1 3.79Å; Y4-V53 HydrophobicContact CE2-CG2 3.93Å; E49-V53 PolarHBondContact O-N 2.89Å; Y51-V53 VanDerWaalsContact C-N 3.35Å; Y51-V53 PolarHBondContact O-N 3.46Å; V53-E59 HydrophobicContact CG1-CB 4.2Å; V53-E59 CarbonylContact O-C 3.6Å; V53-E59 WeakPolarHBondContact O-CB 3.44Å; V53-R60 PolarHBondContact O-N 3.47Å; V53-R60 VanDerWaalsContact O-N 3.1Å; V53-Y63 HydrophobicContact CG1-CG 4.29Å |
| 54 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.1 | -20.8 | -176.6 | -67.5 | 178.6 | 0 | 0 | 0 | 113.5 | Y5 L8 L19 A50 Y51 R60 Y63 | Y5-L54 HydrophobicContact CD1-CD1 3.9Å; Y5-L54 HydrophobicContact CD1-CD2 4.36Å; Y5-L54 HydrophobicContact CE1-CD1 3.98Å; Y5-L54 HydrophobicContact CE1-CD2 3.71Å; Y5-L54 HydrophobicContact CE1-CG 4.47Å; Y5-L54 HydrophobicContact CE2-CD2 3.95Å; Y5-L54 HydrophobicContact CG-CD1 4.34Å; Y5-L54 VanDerWaalsContact CZ-CD2 3.47Å; L8-L54 HydrophobicContact CD1-CD1 3.87Å; L19-L54 HydrophobicContact CD1-CB 4.1Å; L19-L54 HydrophobicContact CD1-CD1 4.13Å; L19-L54 HydrophobicContact CD2-CB 3.74Å; L19-L54 WeakPolarHBondContact CD2-O 3.47Å; A50-L54 VanDerWaalsContact O-CB 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.35Å; A50-L54 VanDerWaalsContact O-CG 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.41Å; A50-L54 PolarHBondContact O-N 3.48Å; Y51-L54 PolarHBondContact O-N 3.47Å; L54-R60 HydrophobicContact CD2-CG 3.98Å; L54-R60 WeakPolarHBondContact O-CD 3.48Å; L54-Y63 HydrophobicContact CD2-CD1 4.05Å; L54-Y63 HydrophobicContact CD2-CE1 4.44Å |
| 55 | S | 92.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.1 | -28.1 | -179.4 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | Q16 Y51 K52 | Q16-S55 PolarHBondContact NE2-O 3.38Å; Y51-S55 WeakPolarHBondContact O-CB 3.26Å; Y51-S55 PolarHBondContact O-N 3.44Å; Y51-S55 PolarHBondContact O-OG 3.48Å; K52-S55 PolarHBondContact O-OG 2.97Å; K52-S55 VanDerWaalsContact O-OG 3.11Å |
| 56 | D | 91.5 | Very high | 90.2 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -85.4 | 117.5 | 171.9 | 179.6 | -11.1 | 0 | 0 | 0 | 109.4 | Q58 E59 R60 | D56-Q58 PolarHBondContact O-N 3.2Å; D56-Q58 VanDerWaalsContact O-N 3.12Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.46Å; D56-Q58 PolarHBondContact OD1-N 3.06Å; D56-E59 HydrophobicContact CB-CB 4.09Å; D56-E59 HydrophobicContact CB-CG 4.21Å; D56-E59 PolarHBondContact O-N 3.4Å; D56-E59 VanDerWaalsContact O-N 3.17Å; D56-R60 WeakPolarHBondContact O-CB 3.34Å; D56-R60 PolarHBondContact O-N 2.92Å |
| 57 | P | 91.5 | Very high | 89.9 | Confident | 103 Ų | 103 | 52 Ų | 52 | 67% | 0.669 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -53.9 | -33.6 | 179.7 | -26.4 | 34.8 | 0 | 0 | 0 | 113.9 | A61 | P57-A61 WeakPolarHBondContact O-CB 3.39Å; P57-A61 PolarHBondContact O-N 3.3Å |
| 58 | Q | 89 | Confident | 89.4 | Confident | 157 Ų | 157 | 54.9 Ų | 54.9 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -74.3 | -45 | -180 | -175.4 | 176.9 | -17.1 | 0 | 0 | 111.6 | D56 W62 | D56-Q58 PolarHBondContact O-N 3.2Å; D56-Q58 VanDerWaalsContact O-N 3.12Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.46Å; D56-Q58 PolarHBondContact OD1-N 3.06Å; Q58-W62 PolarHBondContact O-N 3.44Å; Q58-W62 VanDerWaalsContact O-N 3.12Å |
| 59 | E | 87.6 | Confident | 88.7 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 177.5 | -64.4 | -168.7 | 172.9 | 0 | 0 | 110.9 | V53 D56 W62 Y63 K241 | V53-E59 HydrophobicContact CG1-CB 4.2Å; V53-E59 CarbonylContact O-C 3.6Å; V53-E59 WeakPolarHBondContact O-CB 3.44Å; D56-E59 HydrophobicContact CB-CB 4.09Å; D56-E59 HydrophobicContact CB-CG 4.21Å; D56-E59 PolarHBondContact O-N 3.4Å; D56-E59 VanDerWaalsContact O-N 3.17Å; E59-W62 PolarHBondContact O-N 3.45Å; E59-Y63 WeakPolarHBondContact O-CB 3.44Å; E59-Y63 PolarHBondContact O-N 2.93Å; E59-K241 IonicContact OE1-NZ 3.4Å; E59-K241 PolarHBondContact OE1-NZ 2.99Å |
| 60 | R | 91.6 | Very high | 88.2 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 15% | 0.151 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 173.2 | -177 | 173.3 | 178.8 | 177.8 | -3.1 | 112.2 | Y5 Q12 V14 V53 L54 D56 W62 Y63 D64 | Y5-R60 PolarHBondContact OH-NE 3.37Å; Q12-R60 PolarHBondContact O-NH2 3.44Å; V14-R60 PolarHBondContact O-NH1 2.93Å; V14-R60 PolarHBondContact O-NH2 3.43Å; V53-R60 PolarHBondContact O-N 3.47Å; V53-R60 VanDerWaalsContact O-N 3.1Å; L54-R60 HydrophobicContact CD2-CG 3.98Å; L54-R60 WeakPolarHBondContact O-CD 3.48Å; D56-R60 WeakPolarHBondContact O-CB 3.34Å; D56-R60 PolarHBondContact O-N 2.92Å; R60-W62 VanDerWaalsContact C-N 3.26Å; R60-W62 PolarHBondContact O-N 2.93Å; R60-Y63 PolarHBondContact O-N 3.34Å; R60-Y63 VanDerWaalsContact O-N 3.17Å; R60-D64 VanDerWaalsContact O-CG 3.25Å; R60-D64 PolarHBondContact O-N 3Å |
| 61 | A | 91.2 | Very high | 87.6 | Confident | 60 Ų | 60 | 57 Ų | 57 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P57 K65 | P57-A61 WeakPolarHBondContact O-CB 3.39Å; P57-A61 PolarHBondContact O-N 3.3Å; A61-K65 WeakPolarHBondContact O-CB 3.43Å; A61-K65 PolarHBondContact O-N 3.43Å |
| 62 | W | 87.1 | Confident | 86.6 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 174.9 | -175.8 | 93.5 | 0 | 0 | 0 | 111.8 | Q58 E59 R60 K65 H66 I70 F94 F97 | Q58-W62 PolarHBondContact O-N 3.44Å; Q58-W62 VanDerWaalsContact O-N 3.12Å; E59-W62 PolarHBondContact O-N 3.45Å; R60-W62 VanDerWaalsContact C-N 3.26Å; R60-W62 PolarHBondContact O-N 2.93Å; W62-K65 PolarHBondContact O-N 2.94Å; W62-H66 AromaticContact CD1-CE1 3.52Å; W62-H66 AromaticContact CD1-ND1 3.65Å; W62-H66 AromaticContact CD2-ND1 3.6Å; W62-H66 AromaticContact CE2-CE1 3.71Å; W62-H66 AromaticContact CE2-ND1 3.37Å; W62-H66 AromaticContact CG-ND1 3.77Å; W62-H66 HydrophobicContact CH2-CB 4.48Å; W62-H66 AromaticContact CZ2-ND1 3.88Å; W62-H66 AromaticContact NE1-CE1 3.26Å; W62-H66 PolarHBondContact NE1-CE1 2.79Å; W62-H66 VanDerWaalsContact NE1-CE1 3.26Å; W62-H66 AromaticContact NE1-ND1 3.4Å; W62-H66 PolarHBondContact NE1-ND1 2.79Å; W62-H66 PolarHBondContact O-N 2.9Å; W62-H66 VanDerWaalsContact O-N 3.14Å; W62-H66 PolarHBondContact O-ND1 3.14Å; W62-I70 HydrophobicContact CH2-CD1 3.98Å; W62-I70 HydrophobicContact CZ3-CD1 3.62Å; W62-F94 AromaticContact CH2-CD1 3.94Å; W62-F94 HydrophobicContact CH2-CD1 3.94Å; W62-F94 HydrophobicContact CH2-CE1 4.24Å; W62-F94 HydrophobicContact CZ2-CD1 4.02Å; W62-F94 AromaticContact CZ2-CE1 3.86Å; W62-F94 HydrophobicContact CZ2-CE1 3.86Å; W62-F97 HydrophobicContact CH2-CB 3.63Å; W62-F97 AromaticContact CH2-CD1 3.37Å; W62-F97 HydrophobicContact CH2-CD1 3.37Å; W62-F97 AromaticContact CH2-CD2 3.82Å; W62-F97 HydrophobicContact CH2-CD2 3.82Å; W62-F97 AromaticContact CH2-CE1 3.86Å; W62-F97 HydrophobicContact CH2-CE1 3.86Å; W62-F97 HydrophobicContact CH2-CE2 4.22Å; W62-F97 AromaticContact CH2-CG 3.33Å; W62-F97 HydrophobicContact CH2-CG 3.33Å; W62-F97 HydrophobicContact CH2-CZ 4.23Å; W62-F97 AromaticContact CZ2-CD1 3.55Å; W62-F97 HydrophobicContact CZ2-CD1 3.55Å; W62-F97 HydrophobicContact CZ2-CD2 4.22Å; W62-F97 AromaticContact CZ2-CE1 3.52Å; W62-F97 HydrophobicContact CZ2-CE1 3.52Å; W62-F97 HydrophobicContact CZ2-CE2 4.16Å; W62-F97 AromaticContact CZ2-CG 3.9Å; W62-F97 HydrophobicContact CZ2-CG 3.9Å; W62-F97 AromaticContact CZ2-CZ 3.81Å; W62-F97 HydrophobicContact CZ2-CZ 3.81Å; W62-F97 HydrophobicContact CZ3-CB 4Å; W62-F97 HydrophobicContact CZ3-CD1 4.13Å; W62-F97 HydrophobicContact CZ3-CG 4.14Å |
| 63 | Y | 88.4 | Confident | 85 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 176.2 | 175.3 | -102.9 | 0 | 0 | 0 | 110.9 | C3 Y4 Y5 V53 L54 E59 R60 K65 H66 R67 I70 | C3-Y63 WeakPolarHBondContact CA-OH 3.32Å; C3-Y63 PolarHBondContact SG-OH 2.92Å; Y4-Y63 HydrophobicContact CD2-CD1 4.01Å; Y4-Y63 AromaticContact CD2-CD2 3.46Å; Y4-Y63 HydrophobicContact CD2-CD2 3.46Å; Y4-Y63 VanDerWaalsContact CD2-CD2 3.46Å; Y4-Y63 AromaticContact CD2-CE1 3.8Å; Y4-Y63 HydrophobicContact CD2-CE1 3.8Å; Y4-Y63 AromaticContact CD2-CE2 3.23Å; Y4-Y63 HydrophobicContact CD2-CE2 3.23Å; Y4-Y63 AromaticContact CD2-CG 3.84Å; Y4-Y63 HydrophobicContact CD2-CG 3.84Å; Y4-Y63 AromaticContact CD2-CZ 3.41Å; Y4-Y63 VanDerWaalsContact CD2-CZ 3.41Å; Y4-Y63 AromaticContact CE2-CD2 3.47Å; Y4-Y63 HydrophobicContact CE2-CD2 3.47Å; Y4-Y63 VanDerWaalsContact CE2-CD2 3.47Å; Y4-Y63 AromaticContact CE2-CE2 3.43Å; Y4-Y63 HydrophobicContact CE2-CE2 3.43Å; Y4-Y63 VanDerWaalsContact CE2-CE2 3.43Å; Y4-Y63 HydrophobicContact CE2-CG 4.18Å; Y4-Y63 HydrophobicContact CG-CE1 4.32Å; Y4-Y63 HydrophobicContact CG-CE2 4.04Å; Y4-Y63 AromaticContact CG-CZ 3.87Å; Y4-Y63 PolarHBondContact N-OH 3.18Å; Y5-Y63 AromaticContact CD2-CE1 3.98Å; Y5-Y63 HydrophobicContact CD2-CE1 3.98Å; Y5-Y63 HydrophobicContact CE2-CD1 4.08Å; Y5-Y63 AromaticContact CE2-CE1 3.8Å; Y5-Y63 HydrophobicContact CE2-CE1 3.8Å; V53-Y63 HydrophobicContact CG1-CG 4.29Å; L54-Y63 HydrophobicContact CD2-CD1 4.05Å; L54-Y63 HydrophobicContact CD2-CE1 4.44Å; E59-Y63 WeakPolarHBondContact O-CB 3.44Å; E59-Y63 PolarHBondContact O-N 2.93Å; R60-Y63 PolarHBondContact O-N 3.34Å; R60-Y63 VanDerWaalsContact O-N 3.17Å; Y63-K65 VanDerWaalsContact C-N 3.28Å; Y63-K65 PolarHBondContact O-N 2.86Å; Y63-H66 CarbonylContact O-C 3.5Å; Y63-H66 PolarHBondContact O-N 3.2Å; Y63-H66 VanDerWaalsContact O-N 3.15Å; Y63-R67 HydrophobicContact CE1-CB 4.44Å; Y63-R67 HydrophobicContact CE1-CG 4.16Å; Y63-R67 VanDerWaalsContact O-CA 3.26Å; Y63-R67 WeakPolarHBondContact O-CA 3.37Å; Y63-R67 VanDerWaalsContact O-CB 3.23Å; Y63-R67 WeakPolarHBondContact O-CB 3.49Å; Y63-R67 PolarHBondContact O-N 3.17Å; Y63-I70 HydrophobicContact CD2-CD1 3.99Å; Y63-I70 HydrophobicContact CE2-CD1 4.39Å |
| 64 | D | 90.3 | Very high | 83.2 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 179.8 | -68.5 | -20.6 | 0 | 0 | 0 | 112.1 | Y5 R60 | Y5-D64 WeakPolarHBondContact CE2-OD1 3.43Å; Y5-D64 VanDerWaalsContact OH-CG 3.3Å; Y5-D64 PolarHBondContact OH-OD1 3.14Å; Y5-D64 PolarHBondContact OH-OD2 3.2Å; R60-D64 VanDerWaalsContact O-CG 3.25Å; R60-D64 PolarHBondContact O-N 3Å |
| 65 | K | 87.2 | Confident | 80.9 | Confident | 162 Ų | 162 | 64.2 Ų | 64.2 | 70% | 0.704 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.5 | -36.1 | 177.6 | -176.7 | 178.5 | 174.1 | -173.4 | 0 | 113.4 | A61 W62 Y63 | A61-K65 WeakPolarHBondContact O-CB 3.43Å; A61-K65 PolarHBondContact O-N 3.43Å; W62-K65 PolarHBondContact O-N 2.94Å; Y63-K65 VanDerWaalsContact C-N 3.28Å; Y63-K65 PolarHBondContact O-N 2.86Å |
| 66 | H | 82.9 | Confident | 78.3 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.069 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -107.8 | 2.7 | -175.1 | -53.8 | 97 | 0 | 0 | 0 | 113.4 | W62 Y63 A68 Q69 I70 F94 | W62-H66 AromaticContact CD1-CE1 3.52Å; W62-H66 AromaticContact CD1-ND1 3.65Å; W62-H66 AromaticContact CD2-ND1 3.6Å; W62-H66 AromaticContact CE2-CE1 3.71Å; W62-H66 AromaticContact CE2-ND1 3.37Å; W62-H66 AromaticContact CG-ND1 3.77Å; W62-H66 HydrophobicContact CH2-CB 4.48Å; W62-H66 AromaticContact CZ2-ND1 3.88Å; W62-H66 AromaticContact NE1-CE1 3.26Å; W62-H66 PolarHBondContact NE1-CE1 2.79Å; W62-H66 VanDerWaalsContact NE1-CE1 3.26Å; W62-H66 AromaticContact NE1-ND1 3.4Å; W62-H66 PolarHBondContact NE1-ND1 2.79Å; W62-H66 PolarHBondContact O-N 2.9Å; W62-H66 VanDerWaalsContact O-N 3.14Å; W62-H66 PolarHBondContact O-ND1 3.14Å; Y63-H66 CarbonylContact O-C 3.5Å; Y63-H66 PolarHBondContact O-N 3.2Å; Y63-H66 VanDerWaalsContact O-N 3.15Å; H66-A68 VanDerWaalsContact C-N 3.26Å; H66-A68 PolarHBondContact O-N 3.35Å; H66-A68 VanDerWaalsContact O-N 3.15Å; H66-Q69 PolarHBondContact CD2-OE1 3.42Å; H66-Q69 WeakPolarHBondContact O-CB 3.3Å; H66-Q69 PolarHBondContact O-N 3.29Å; H66-I70 HydrophobicContact CB-CD1 3.98Å; H66-I70 HydrophobicContact CB-CG1 4.35Å; H66-I70 WeakPolarHBondContact O-CG1 3.46Å; H66-I70 PolarHBondContact O-N 3.49Å; H66-F94 HydrophobicContact CB-CD1 4.05Å; H66-F94 HydrophobicContact CB-CE1 3.78Å; H66-F94 AromaticContact CD2-CE1 3.37Å; H66-F94 WeakPolarHBondContact CD2-CE1 3.06Å; H66-F94 AromaticContact CD2-CZ 3.54Å; H66-F94 AromaticContact CG-CE1 3.6Å |
| 67 | R | 83.5 | Confident | 75.8 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 21% | 0.208 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -50.8 | -45.4 | -175.1 | 177.8 | 180 | 177.7 | -81.5 | -3.1 | 111.9 | C3 E6 Y63 Q69 I70 L71 | C3-R67 VanDerWaalsContact SG-CZ 3.55Å; C3-R67 PolarHBondContact SG-NE 3.04Å; C3-R67 PolarHBondContact SG-NH2 3.33Å; E6-R67 IonicContact OE1-NH2 3.79Å; E6-R67 PolarHBondContact OE1-NH2 2.97Å; E6-R67 VanDerWaalsContact OE1-NH2 3.13Å; Y63-R67 HydrophobicContact CE1-CB 4.44Å; Y63-R67 HydrophobicContact CE1-CG 4.16Å; Y63-R67 VanDerWaalsContact O-CA 3.26Å; Y63-R67 WeakPolarHBondContact O-CA 3.37Å; Y63-R67 VanDerWaalsContact O-CB 3.23Å; Y63-R67 WeakPolarHBondContact O-CB 3.49Å; Y63-R67 PolarHBondContact O-N 3.17Å; R67-Q69 VanDerWaalsContact C-N 3.31Å; R67-Q69 PolarHBondContact O-N 2.88Å; R67-I70 PolarHBondContact O-N 2.96Å; R67-L71 HydrophobicContact CG-CD1 3.6Å; R67-L71 HydrophobicContact CG-CG 4.22Å; R67-L71 VanDerWaalsContact CZ-CD1 3.43Å; R67-L71 WeakPolarHBondContact O-CB 3.46Å; R67-L71 VanDerWaalsContact O-CG 3.23Å; R67-L71 WeakPolarHBondContact O-CG 3.47Å; R67-L71 PolarHBondContact O-N 3.16Å |
| 68 | A | 81.2 | Confident | 73.2 | Confident | 61 Ų | 61 | 76 Ų | 76 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H66 Q72 | H66-A68 VanDerWaalsContact C-N 3.26Å; H66-A68 PolarHBondContact O-N 3.35Å; H66-A68 VanDerWaalsContact O-N 3.15Å; A68-Q72 VanDerWaalsContact O-CD 3.28Å; A68-Q72 WeakPolarHBondContact O-CG 3.45Å; A68-Q72 PolarHBondContact O-N 3.48Å |
| 69 | Q | 77.9 | Confident | 70.6 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.1 | -44.3 | 179.5 | -63.5 | 173.8 | -49.9 | 0 | 0 | 110.8 | H66 R67 L71 Q72 F94 | H66-Q69 PolarHBondContact CD2-OE1 3.42Å; H66-Q69 WeakPolarHBondContact O-CB 3.3Å; H66-Q69 PolarHBondContact O-N 3.29Å; R67-Q69 VanDerWaalsContact C-N 3.31Å; R67-Q69 PolarHBondContact O-N 2.88Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.3Å; Q69-Q72 PolarHBondContact O-N 2.89Å; Q69-F94 HydrophobicContact CB-CD2 3.98Å; Q69-F94 HydrophobicContact CB-CE2 4.31Å; Q69-F94 HydrophobicContact CB-CG 4.23Å; Q69-F94 VanDerWaalsContact OE1-CZ 3.26Å |
| 70 | I | 79.8 | Confident | 68.1 | Low | 6 Ų | 6 | 84.7 Ų | 84.7 | 3% | 0.031 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 178.7 | -66 | 165.5 | 0 | 0 | 0 | 111.5 | M1 W62 Y63 H66 R67 F94 | M1-I70 HydrophobicContact CE-CG2 3.68Å; M1-I70 HydrophobicContact SD-CG2 3.15Å; M1-I70 WeakPolarHBondContact SD-CG2 3.18Å; W62-I70 HydrophobicContact CH2-CD1 3.98Å; W62-I70 HydrophobicContact CZ3-CD1 3.62Å; Y63-I70 HydrophobicContact CD2-CD1 3.99Å; Y63-I70 HydrophobicContact CE2-CD1 4.39Å; H66-I70 HydrophobicContact CB-CD1 3.98Å; H66-I70 HydrophobicContact CB-CG1 4.35Å; H66-I70 WeakPolarHBondContact O-CG1 3.46Å; H66-I70 PolarHBondContact O-N 3.49Å; R67-I70 PolarHBondContact O-N 2.96Å; I70-F94 HydrophobicContact CG1-CB 3.89Å; I70-F94 HydrophobicContact CG1-CD1 4.2Å; I70-F94 HydrophobicContact CG1-CG 4.4Å |
| 71 | L | 79.3 | Confident | 65.5 | Low | 45 Ų | 45 | 86.2 Ų | 86.2 | 24% | 0.236 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -77.5 | -25.4 | -177.5 | -68.4 | 177.1 | 0 | 0 | 0 | 113.9 | C3 R67 Q69 G73 | C3-L71 HydrophobicContact CB-CD1 3.89Å; C3-L71 HydrophobicContact CB-CD2 4.11Å; R67-L71 HydrophobicContact CG-CD1 3.6Å; R67-L71 HydrophobicContact CG-CG 4.22Å; R67-L71 VanDerWaalsContact CZ-CD1 3.43Å; R67-L71 WeakPolarHBondContact O-CB 3.46Å; R67-L71 VanDerWaalsContact O-CG 3.23Å; R67-L71 WeakPolarHBondContact O-CG 3.47Å; R67-L71 PolarHBondContact O-N 3.16Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.3Å; L71-G73 PolarHBondContact O-N 3.49Å |
| 72 | Q | 72 | Confident | 62.8 | Low | 121 Ų | 121 | 92.3 Ų | 92.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.9 | -35.1 | 177 | -82.7 | 166.5 | 17 | 0 | 0 | 111 | A68 Q69 | A68-Q72 VanDerWaalsContact O-CD 3.28Å; A68-Q72 WeakPolarHBondContact O-CG 3.45Å; A68-Q72 PolarHBondContact O-N 3.48Å; Q69-Q72 PolarHBondContact O-N 2.89Å |
| 73 | G | 57.2 | Low | 60.4 | Low | 28 Ų | 28 | 95.9 Ų | 95.9 | 29% | 0.289 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 178 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 G75 | L71-G73 PolarHBondContact O-N 3.49Å; G73-G75 PolarHBondContact O-N 3.38Å |
| 74 | N | 52.6 | Low | 58.2 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 24.2 | 178.9 | -82.2 | 48.2 | 0 | 0 | 0 | 115 | Q95 | N74-Q95 VanDerWaalsContact OD1-CD 3.3Å; N74-Q95 PolarHBondContact OD1-NE2 2.98Å; N74-Q95 PolarHBondContact OD1-OE1 3.45Å |
| 75 | G | 44.3 | Very low | 56 | Low | 52 Ų | 52 | 105.1 Ų | 105.1 | 54% | 0.536 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -111.4 | 101.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G73 | G73-G75 PolarHBondContact O-N 3.38Š|
| 76 | R | 39.6 | Very low | 54.1 | Low | 242 Ų | 242 | 107.3 Ų | 107.3 | 91% | 0.913 | 60% | 0.595 | S | S | * | * | trans | 60.5 | 108.4 | 158.8 | -71.6 | 179.3 | 163.6 | 174.3 | -5 | 116.5 | T78 | R76-T78 PolarHBondContact O-N 3.37Å; R76-T78 VanDerWaalsContact O-N 3.09Å | ||
| 77 | G | 37.9 | Very low | 52.7 | Low | 79 Ų | 79 | 115.3 Ų | 115.3 | 81% | 0.814 | 63% | 0.632 | S | S | * | * | trans | -42.7 | 116.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q79 | G77-Q79 VanDerWaalsContact C-N 3.27Å; G77-Q79 PolarHBondContact O-N 2.88Å | ||
| 78 | T | 37.8 | Very low | 51.5 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | trans | -66.1 | 98.5 | 167 | -69.5 | 0 | 0 | 0 | 0 | 107.3 | R76 M80 | R76-T78 PolarHBondContact O-N 3.37Å; R76-T78 VanDerWaalsContact O-N 3.09Å; T78-M80 PolarHBondContact O-N 2.87Å | ||
| 79 | Q | 32.6 | Very low | 50.7 | Low | 192 Ų | 192 | 118.5 Ų | 118.5 | 90% | 0.897 | 65% | 0.651 | S | S | * | * | trans | -30.6 | 98.7 | 160.6 | -165.9 | 176.4 | 65.1 | 0 | 0 | 111.5 | G77 | G77-Q79 VanDerWaalsContact C-N 3.27Å; G77-Q79 PolarHBondContact O-N 2.88Å | ||
| 80 | M | 35.9 | Very low | 50.7 | Low | 179 Ų | 179 | 119.6 Ų | 119.6 | 88% | 0.882 | 65% | 0.653 | S | S | * | * | trans | -145.5 | 109.5 | 164.7 | -92.7 | -66.7 | -172.1 | 0 | 0 | 107.2 | T78 | T78-M80 PolarHBondContact O-N 2.87Š| ||
| 81 | G | 37.7 | Very low | 50.9 | Low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | trans | 107.2 | 90.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 82 | E | 34.3 | Very low | 51.1 | Low | 188 Ų | 188 | 120.1 Ų | 120.1 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -39.3 | 135.1 | 158.6 | -161.2 | 163.5 | -173.4 | 0 | 0 | 111.5 | ||
| 83 | T | 36.5 | Very low | 51.8 | Low | 138 Ų | 138 | 114.3 Ų | 114.3 | 85% | 0.847 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 97.5 | 79.8 | 179.5 | 73.9 | 0 | 0 | 0 | 0 | 117.8 | ||
| 84 | S | 42.9 | Very low | 53.1 | Low | 101 Ų | 101 | 113.2 Ų | 113.2 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | trans | 139.8 | 118.7 | 147.3 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | Y86 | S84-Y86 PolarHBondContact O-N 3.5Š| ||
| 85 | D | 42.2 | Very low | 54.5 | Low | 166 Ų | 166 | 110.2 Ų | 110.2 | 89% | 0.888 | 60% | 0.599 | S | S | * | * | trans | -75.4 | 17.9 | -173.5 | -132.7 | -0.7 | 0 | 0 | 0 | 114.3 | Q87 | D85-Q87 PolarHBondContact O-N 3.22Š| ||
| 86 | Y | 47.9 | Very low | 56.5 | Low | 208 Ų | 208 | 109.5 Ų | 109.5 | 82% | 0.816 | 58% | 0.58 | S | S | * | * | trans | -89.1 | 102.8 | -177.4 | -96.9 | -89.1 | 0 | 0 | 0 | 111.6 | S84 | S84-Y86 PolarHBondContact O-N 3.5Š| ||
| 87 | Q | 53 | Low | 58.6 | Low | 182 Ų | 182 | 98.6 Ų | 98.6 | 85% | 0.85 | 54% | 0.539 | S | S | * | . | trans | -84.9 | 109 | 166.5 | -65 | -176.8 | -9.1 | 0 | 0 | 109.3 | D85 S89 | D85-Q87 PolarHBondContact O-N 3.22Å; Q87-S89 PolarHBondContact O-N 3.31Å; Q87-S89 VanDerWaalsContact O-N 3.08Å | ||
| 88 | E | 59.1 | Low | 60.7 | Low | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 50% | 0.502 | S | S | . | . | trans | -65.2 | 112.2 | 174.9 | -168.1 | -179.9 | 171.7 | 0 | 0 | 109.2 | R90 K191 W195 | E88-R90 HydrophobicContact CG-CB 4.25Å; E88-R90 PolarHBondContact O-N 2.98Å; E88-K191 IonicContact OE1-NZ 2.81Å; E88-K191 PolarHBondContact OE1-NZ 2.93Å; E88-W195 HydrophobicContact CG-CZ2 4.41Å; E88-W195 VanDerWaalsContact OE1-CZ2 3.26Å; E88-W195 WeakPolarHBondContact OE1-CZ2 3.42Å; E88-W195 PolarHBondContact OE2-NE1 2.8Å | ||
| 89 | S | 64.9 | Low | 62.6 | Low | 110 Ų | 110 | 95.6 Ų | 95.6 | 77% | 0.769 | 49% | 0.492 | S | S | * | . | trans | -65 | 90.7 | 165.3 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | Q87 | Q87-S89 PolarHBondContact O-N 3.31Å; Q87-S89 VanDerWaalsContact O-N 3.08Å | ||
| 90 | R | 78.3 | Confident | 64.8 | Low | 99 Ų | 99 | 90 Ų | 90 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | trans | -118.4 | 124.8 | -179.9 | 180 | -175.3 | -177.1 | -172.9 | 7.2 | 107.5 | E88 D92 E231 | E88-R90 HydrophobicContact CG-CB 4.25Å; E88-R90 PolarHBondContact O-N 2.98Å; R90-D92 PolarHBondContact O-N 2.71Å; R90-D92 VanDerWaalsContact O-N 3.07Å; R90-E231 IonicContact CZ-OE1 2.95Å; R90-E231 IonicContact CZ-OE2 2.77Å; R90-E231 IonicContact NE-OE2 3.91Å; R90-E231 IonicContact NH2-OE1 2.64Å; R90-E231 PolarHBondContact NH2-OE1 2.88Å; R90-E231 IonicContact NH2-OE2 2.85Å; R90-E231 PolarHBondContact NH2-OE2 2.95Å | ||
| 91 | V | 82.3 | Confident | 67.1 | Low | 25 Ų | 25 | 82.9 Ų | 82.9 | 15% | 0.152 | 44% | 0.441 | C | S | . | . | trans | -62.5 | 114.6 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | V93 Y96 D122 I123 E126 R228 | V91-V93 PolarHBondContact O-N 3Å; V91-V93 VanDerWaalsContact O-N 3.15Å; V91-Y96 HydrophobicContact CG1-CE2 4.31Å; V91-D122 HydrophobicContact CG2-CB 3.72Å; V91-I123 HydrophobicContact CB-CG1 4.21Å; V91-I123 HydrophobicContact CG1-CG1 4.25Å; V91-I123 HydrophobicContact CG2-CG1 4.41Å; V91-E126 WeakPolarHBondContact CG2-OE2 3.49Å; V91-E126 PolarHBondContact N-OE2 3.29Å; V91-R228 PolarHBondContact O-NH1 3.45Å; V91-R228 PolarHBondContact O-NH2 2.86Å | ||
| 92 | D | 83.7 | Confident | 69.5 | Low | 36 Ų | 36 | 79.9 Ų | 79.9 | 19% | 0.193 | 41% | 0.407 | C | S | . | . | trans | -69.4 | 108.5 | 169.4 | -175.7 | 13.1 | 0 | 0 | 0 | 108.1 | R90 F94 Q95 Y96 | R90-D92 PolarHBondContact O-N 2.71Å; R90-D92 VanDerWaalsContact O-N 3.07Å; D92-F94 VanDerWaalsContact C-N 3.33Å; D92-F94 WeakPolarHBondContact OD1-CB 2.92Å; D92-F94 PolarHBondContact OD1-N 3.38Å; D92-Q95 WeakPolarHBondContact O-CG 3.43Å; D92-Y96 WeakPolarHBondContact O-CE2 3.38Å | ||
| 93 | V | 86.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -80.5 | -23.7 | -176.8 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | V91 Q95 Y96 F97 I123 I232 L235 | V91-V93 PolarHBondContact O-N 3Å; V91-V93 VanDerWaalsContact O-N 3.15Å; V93-Q95 VanDerWaalsContact C-N 3.31Å; V93-Q95 PolarHBondContact O-N 2.83Å; V93-Y96 PolarHBondContact O-N 3.41Å; V93-Y96 VanDerWaalsContact O-N 3.13Å; V93-F97 HydrophobicContact CG1-CE2 3.64Å; V93-F97 HydrophobicContact CG1-CZ 4.31Å; V93-F97 VanDerWaalsContact O-CD2 3.26Å; V93-F97 WeakPolarHBondContact O-CD2 3.38Å; V93-F97 WeakPolarHBondContact O-CE2 3.35Å; V93-I123 HydrophobicContact CG2-CD1 4.04Å; V93-I232 HydrophobicContact CG2-CG1 4.39Å; V93-L235 HydrophobicContact CG1-CB 3.42Å; V93-L235 VanDerWaalsContact CG1-CB 3.42Å; V93-L235 HydrophobicContact CG1-CD1 4.1Å; V93-L235 HydrophobicContact CG1-CD2 3.51Å; V93-L235 HydrophobicContact CG1-CG 3.83Å; V93-L235 HydrophobicContact CG2-CD2 4.49Å | ||
| 94 | F | 84.4 | Confident | 74.2 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 2% | 0.022 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -66.9 | -29.5 | -173.1 | -73.4 | -72.4 | 0 | 0 | 0 | 113.6 | W62 H66 Q69 I70 D92 Y96 F97 E231 | W62-F94 AromaticContact CH2-CD1 3.94Å; W62-F94 HydrophobicContact CH2-CD1 3.94Å; W62-F94 HydrophobicContact CH2-CE1 4.24Å; W62-F94 HydrophobicContact CZ2-CD1 4.02Å; W62-F94 AromaticContact CZ2-CE1 3.86Å; W62-F94 HydrophobicContact CZ2-CE1 3.86Å; H66-F94 HydrophobicContact CB-CD1 4.05Å; H66-F94 HydrophobicContact CB-CE1 3.78Å; H66-F94 AromaticContact CD2-CE1 3.37Å; H66-F94 WeakPolarHBondContact CD2-CE1 3.06Å; H66-F94 AromaticContact CD2-CZ 3.54Å; H66-F94 AromaticContact CG-CE1 3.6Å; Q69-F94 HydrophobicContact CB-CD2 3.98Å; Q69-F94 HydrophobicContact CB-CE2 4.31Å; Q69-F94 HydrophobicContact CB-CG 4.23Å; Q69-F94 VanDerWaalsContact OE1-CZ 3.26Å; I70-F94 HydrophobicContact CG1-CB 3.89Å; I70-F94 HydrophobicContact CG1-CD1 4.2Å; I70-F94 HydrophobicContact CG1-CG 4.4Å; D92-F94 VanDerWaalsContact C-N 3.33Å; D92-F94 WeakPolarHBondContact OD1-CB 2.92Å; D92-F94 PolarHBondContact OD1-N 3.38Å; F94-Y96 PolarHBondContact O-N 3.32Å; F94-F97 HydrophobicContact CD1-CD2 4.33Å; F94-F97 HydrophobicContact CD1-CE2 4.19Å; F94-F97 PolarHBondContact O-N 3.05Å; F94-E231 HydrophobicContact CE2-CG 3.82Å; F94-E231 HydrophobicContact CZ-CG 3.66Å |
| 95 | Q | 82.8 | Confident | 76.4 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -64.1 | -19.1 | 175.7 | 71.2 | -177.3 | -13.9 | 0 | 0 | 113.8 | N74 D92 V93 T98 | N74-Q95 VanDerWaalsContact OD1-CD 3.3Å; N74-Q95 PolarHBondContact OD1-NE2 2.98Å; N74-Q95 PolarHBondContact OD1-OE1 3.45Å; D92-Q95 WeakPolarHBondContact O-CG 3.43Å; V93-Q95 VanDerWaalsContact C-N 3.31Å; V93-Q95 PolarHBondContact O-N 2.83Å; Q95-T98 PolarHBondContact O-OG1 3.38Å |
| 96 | Y | 86.1 | Confident | 78.7 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -97.5 | 4.7 | -177.5 | -57.1 | -73.7 | 0 | 0 | 0 | 113.9 | V91 D92 V93 F94 T98 C101 V115 Y116 V119 | V91-Y96 HydrophobicContact CG1-CE2 4.31Å; D92-Y96 WeakPolarHBondContact O-CE2 3.38Å; V93-Y96 PolarHBondContact O-N 3.41Å; V93-Y96 VanDerWaalsContact O-N 3.13Å; F94-Y96 PolarHBondContact O-N 3.32Å; Y96-T98 PolarHBondContact O-N 3.29Å; Y96-C101 HydrophobicContact CD1-CB 4.31Å; Y96-V115 HydrophobicContact CD1-CG1 4.2Å; Y96-V115 HydrophobicContact CE1-CG1 4.28Å; Y96-Y116 PolarHBondContact O-OH 3.14Å; Y96-V119 HydrophobicContact CD1-CG2 3.47Å; Y96-V119 VanDerWaalsContact CD1-CG2 3.47Å; Y96-V119 HydrophobicContact CD2-CB 4.45Å; Y96-V119 HydrophobicContact CD2-CG1 3.83Å; Y96-V119 HydrophobicContact CD2-CG2 3.66Å; Y96-V119 HydrophobicContact CE1-CG2 3.26Å; Y96-V119 HydrophobicContact CE2-CB 4.32Å; Y96-V119 HydrophobicContact CE2-CG1 3.91Å; Y96-V119 HydrophobicContact CE2-CG2 3.45Å; Y96-V119 VanDerWaalsContact CE2-CG2 3.45Å; Y96-V119 HydrophobicContact CG-CG1 4.37Å; Y96-V119 HydrophobicContact CG-CG2 3.66Å |
| 97 | F | 84.4 | Confident | 80.7 | Confident | 12 Ų | 12 | 63 Ų | 63 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -83.4 | 7.9 | 171.5 | -73.8 | -98.8 | 0 | 0 | 0 | 112.9 | W62 V93 F94 Q234 L235 Y238 | W62-F97 HydrophobicContact CH2-CB 3.63Å; W62-F97 AromaticContact CH2-CD1 3.37Å; W62-F97 HydrophobicContact CH2-CD1 3.37Å; W62-F97 AromaticContact CH2-CD2 3.82Å; W62-F97 HydrophobicContact CH2-CD2 3.82Å; W62-F97 AromaticContact CH2-CE1 3.86Å; W62-F97 HydrophobicContact CH2-CE1 3.86Å; W62-F97 HydrophobicContact CH2-CE2 4.22Å; W62-F97 AromaticContact CH2-CG 3.33Å; W62-F97 HydrophobicContact CH2-CG 3.33Å; W62-F97 HydrophobicContact CH2-CZ 4.23Å; W62-F97 AromaticContact CZ2-CD1 3.55Å; W62-F97 HydrophobicContact CZ2-CD1 3.55Å; W62-F97 HydrophobicContact CZ2-CD2 4.22Å; W62-F97 AromaticContact CZ2-CE1 3.52Å; W62-F97 HydrophobicContact CZ2-CE1 3.52Å; W62-F97 HydrophobicContact CZ2-CE2 4.16Å; W62-F97 AromaticContact CZ2-CG 3.9Å; W62-F97 HydrophobicContact CZ2-CG 3.9Å; W62-F97 AromaticContact CZ2-CZ 3.81Å; W62-F97 HydrophobicContact CZ2-CZ 3.81Å; W62-F97 HydrophobicContact CZ3-CB 4Å; W62-F97 HydrophobicContact CZ3-CD1 4.13Å; W62-F97 HydrophobicContact CZ3-CG 4.14Å; V93-F97 HydrophobicContact CG1-CE2 3.64Å; V93-F97 HydrophobicContact CG1-CZ 4.31Å; V93-F97 VanDerWaalsContact O-CD2 3.26Å; V93-F97 WeakPolarHBondContact O-CD2 3.38Å; V93-F97 WeakPolarHBondContact O-CE2 3.35Å; F94-F97 HydrophobicContact CD1-CD2 4.33Å; F94-F97 HydrophobicContact CD1-CE2 4.19Å; F94-F97 PolarHBondContact O-N 3.05Å; F97-Q234 HydrophobicContact CE1-CB 4.01Å; F97-Q234 HydrophobicContact CZ-CB 3.88Å; F97-L235 HydrophobicContact CD2-CD1 4.32Å; F97-L235 HydrophobicContact CE2-CB 4.08Å; F97-L235 HydrophobicContact CE2-CD1 4.17Å; F97-L235 VanDerWaalsContact CZ-CA 3.47Å; F97-L235 HydrophobicContact CZ-CB 3.81Å; F97-L235 HydrophobicContact CZ-CD1 4.45Å; F97-L235 VanDerWaalsContact CZ-N 3.27Å; F97-Y238 VanDerWaalsContact C-CZ 3.44Å; F97-Y238 HydrophobicContact CB-CE2 4.44Å; F97-Y238 AromaticContact CD1-CD2 3.8Å; F97-Y238 HydrophobicContact CD1-CD2 3.8Å; F97-Y238 HydrophobicContact CD1-CE2 4.48Å; F97-Y238 AromaticContact CD1-CG 3.83Å; F97-Y238 HydrophobicContact CD1-CG 3.83Å; F97-Y238 HydrophobicContact CE1-CG 4.4Å; F97-Y238 WeakPolarHBondContact O-CE2 3.34Å; F97-Y238 PolarHBondContact O-OH 3.45Å |
| 98 | T | 80.9 | Confident | 82.5 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -102.4 | 144.8 | 176.9 | 68 | 0 | 0 | 0 | 0 | 111 | M1 E49 Q95 Y96 S100 C101 | M1-T98 HydrophobicContact CE-CG2 3.15Å; M1-T98 HydrophobicContact SD-CG2 3.43Å; M1-T98 WeakPolarHBondContact SD-CG2 3.45Å; E49-T98 VanDerWaalsContact OE1-C 3.29Å; E49-T98 WeakPolarHBondContact OE1-CA 3.45Å; E49-T98 WeakPolarHBondContact OE1-CB 3.48Å; Q95-T98 PolarHBondContact O-OG1 3.38Å; Y96-T98 PolarHBondContact O-N 3.29Å; T98-S100 VanDerWaalsContact CB-OG 3.23Å; T98-S100 WeakPolarHBondContact CB-OG 3.4Å; T98-S100 PolarHBondContact OG1-OG 3.44Å; T98-C101 PolarHBondContact O-N 3.3Å; T98-C101 PolarHBondContact O-SG 2.68Å; T98-C101 PolarHBondContact OG1-N 2.96Å |
| 99 | R | 79.1 | Confident | 83.8 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -66.2 | -32.4 | 169.2 | -170.1 | 176.9 | 179.4 | -175.6 | -1.8 | 110.8 | E49 C101 F102 Y238 | E49-R99 HydrophobicContact CG-CB 4.31Å; E49-R99 PolarHBondContact OE1-N 2.85Å; R99-C101 PolarHBondContact O-N 3.06Å; R99-F102 HydrophobicContact CG-CE1 4.44Å; R99-F102 HydrophobicContact CG-CZ 4.15Å; R99-F102 PolarHBondContact O-N 2.94Å; R99-Y238 PolarHBondContact N-OH 2.94Å |
| 100 | S | 78.8 | Confident | 84.9 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 52% | 0.517 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -58 | -12.1 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 115.4 | E49 T98 F102 | E49-S100 WeakPolarHBondContact OE2-CB 3.35Å; E49-S100 PolarHBondContact OE2-N 3.44Å; E49-S100 PolarHBondContact OE2-OG 3.22Å; T98-S100 VanDerWaalsContact CB-OG 3.23Å; T98-S100 WeakPolarHBondContact CB-OG 3.4Å; T98-S100 PolarHBondContact OG1-OG 3.44Å; S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.18Å |
| 101 | C | 83.3 | Confident | 85.5 | Confident | 29 Ų | 29 | 59 Ų | 59 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -73.6 | -15.8 | 175.9 | 78.2 | 0 | 0 | 0 | 0 | 114.1 | Y96 T98 R99 V115 Y116 | Y96-C101 HydrophobicContact CD1-CB 4.31Å; T98-C101 PolarHBondContact O-N 3.3Å; T98-C101 PolarHBondContact O-SG 2.68Å; T98-C101 PolarHBondContact OG1-N 2.96Å; R99-C101 PolarHBondContact O-N 3.06Å; C101-V115 WeakPolarHBondContact O-CG2 3.35Å; C101-Y116 PolarHBondContact SG-OH 2.94Å; C101-Y116 VanDerWaalsContact SG-OH 3.39Å |
| 102 | F | 87.5 | Confident | 86.1 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | trans | -138.8 | 146.6 | 174.2 | 66.9 | -86.9 | 0 | 0 | 0 | 111.1 | R99 S100 F105 K110 F112 V115 Y116 | R99-F102 HydrophobicContact CG-CE1 4.44Å; R99-F102 HydrophobicContact CG-CZ 4.15Å; R99-F102 PolarHBondContact O-N 2.94Å; S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.18Å; F102-F105 HydrophobicContact CE2-CD1 4.38Å; F102-F105 HydrophobicContact CE2-CD2 4.4Å; F102-F105 AromaticContact CE2-CE1 3.9Å; F102-F105 HydrophobicContact CE2-CE1 3.9Å; F102-F105 AromaticContact CE2-CE2 3.93Å; F102-F105 HydrophobicContact CE2-CE2 3.93Å; F102-F105 AromaticContact CE2-CZ 3.66Å; F102-F105 HydrophobicContact CE2-CZ 3.66Å; F102-F105 HydrophobicContact CZ-CE1 4.17Å; F102-F105 AromaticContact CZ-CZ 3.9Å; F102-F105 HydrophobicContact CZ-CZ 3.9Å; F102-K110 WeakPolarHBondContact CA-O 3.4Å; F102-F112 HydrophobicContact CB-CB 4.4Å; F102-F112 AromaticContact CD1-CD2 3.86Å; F102-F112 HydrophobicContact CD1-CD2 3.86Å; F102-F112 HydrophobicContact CD2-CB 3.8Å; F102-F112 AromaticContact CD2-CD2 4Å; F102-F112 HydrophobicContact CD2-CD2 4Å; F102-F112 HydrophobicContact CD2-CG 4.41Å; F102-F112 AromaticContact CE1-CD2 3.7Å; F102-F112 HydrophobicContact CE1-CD2 3.7Å; F102-F112 HydrophobicContact CE1-CE2 4.18Å; F102-F112 HydrophobicContact CE2-CB 4.25Å; F102-F112 AromaticContact CE2-CD2 3.83Å; F102-F112 HydrophobicContact CE2-CD2 3.83Å; F102-F112 HydrophobicContact CE2-CG 4.49Å; F102-F112 HydrophobicContact CG-CB 4.07Å; F102-F112 HydrophobicContact CG-CD2 4.02Å; F102-F112 AromaticContact CZ-CD2 3.68Å; F102-F112 HydrophobicContact CZ-CD2 3.68Å; F102-F112 HydrophobicContact CZ-CE2 4.25Å; F102-V115 HydrophobicContact CB-CG2 4.45Å; F102-Y116 AromaticContact CD1-CE2 3.93Å; F102-Y116 HydrophobicContact CD1-CE2 3.93Å; F102-Y116 HydrophobicContact CE1-CE2 4.15Å | ||
| 103 | E | 83.9 | Confident | 86.5 | Confident | 124 Ų | 124 | 56.5 Ų | 56.5 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -90.4 | -44.6 | -177.5 | -68.6 | 176.3 | -171.1 | 0 | 0 | 111.3 | K110 | E103-K110 HydrophobicContact CG-CB 4.34Å; E103-K110 HydrophobicContact CG-CD 4.29Å; E103-K110 PolarHBondContact N-O 3.28Å; E103-K110 WeakPolarHBondContact OE1-CD 3.41Å; E103-K110 IonicContact OE1-NZ 3.82Å; E103-K110 PolarHBondContact OE1-NZ 3.45Å |
| 104 | K | 87.1 | Confident | 86.9 | Confident | 128 Ų | 128 | 58.8 Ų | 58.8 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | B | Isolated β-bridge | trans | -139.1 | 165.6 | -173.3 | -67.8 | 176.8 | -172.8 | 172 | 0 | 111.4 | D106 F112 | K104-D106 WeakPolarHBondContact CB-OD2 3.49Å; K104-D106 WeakPolarHBondContact CD-OD2 3.34Å; K104-D106 PolarHBondContact O-N 3.49Å; K104-F112 PolarHBondContact O-N 3.49Å |
| 105 | F | 88.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -90.6 | 52.3 | 175.8 | -70.8 | -84 | 0 | 0 | 0 | 111.3 | F102 F112 Y113 R242 | F102-F105 HydrophobicContact CE2-CD1 4.38Å; F102-F105 HydrophobicContact CE2-CD2 4.4Å; F102-F105 AromaticContact CE2-CE1 3.9Å; F102-F105 HydrophobicContact CE2-CE1 3.9Å; F102-F105 AromaticContact CE2-CE2 3.93Å; F102-F105 HydrophobicContact CE2-CE2 3.93Å; F102-F105 AromaticContact CE2-CZ 3.66Å; F102-F105 HydrophobicContact CE2-CZ 3.66Å; F102-F105 HydrophobicContact CZ-CE1 4.17Å; F102-F105 AromaticContact CZ-CZ 3.9Å; F102-F105 HydrophobicContact CZ-CZ 3.9Å; F105-F112 HydrophobicContact CD1-CB 3.81Å; F105-F112 HydrophobicContact CD1-CD1 4.12Å; F105-F112 HydrophobicContact CD1-CD2 4.02Å; F105-F112 AromaticContact CD1-CG 3.73Å; F105-F112 HydrophobicContact CD1-CG 3.73Å; F105-F112 HydrophobicContact CE1-CB 4.33Å; F105-F112 HydrophobicContact CE1-CD1 4.42Å; F105-F112 AromaticContact CE1-CD2 3.7Å; F105-F112 HydrophobicContact CE1-CD2 3.7Å; F105-F112 HydrophobicContact CE1-CE2 4.04Å; F105-F112 AromaticContact CE1-CG 3.9Å; F105-F112 HydrophobicContact CE1-CG 3.9Å; F105-F112 HydrophobicContact CG-CB 4.47Å; F105-Y113 WeakPolarHBondContact O-CE2 3.48Å; F105-R242 VanDerWaalsContact CE1-O 3.28Å; F105-R242 WeakPolarHBondContact CE1-O 3.25Å |
| 106 | D | 89.5 | Confident | 87.8 | Confident | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -120.7 | 176.9 | 177 | 47.5 | 24.7 | 0 | 0 | 0 | 110.6 | K104 D108 G111 F112 Y113 | K104-D106 WeakPolarHBondContact CB-OD2 3.49Å; K104-D106 WeakPolarHBondContact CD-OD2 3.34Å; K104-D106 PolarHBondContact O-N 3.49Å; D106-D108 VanDerWaalsContact C-N 3.25Å; D106-G111 CarbonylContact O-C 3.6Å; D106-G111 WeakPolarHBondContact O-CA 3.49Å; D106-G111 WeakPolarHBondContact OD1-CA 3.2Å; D106-F112 PolarHBondContact O-N 2.93Å; D106-Y113 WeakPolarHBondContact O-CD2 3.4Å |
| 107 | D | 91 | Very high | 88.2 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -91.2 | 16.9 | 176.4 | -62.7 | -50.2 | 0 | 0 | 0 | 111.9 | Y113 T114 C168 S169 | D107-Y113 VanDerWaalsContact OD1-CB 3.29Å; D107-Y113 WeakPolarHBondContact OD1-CB 3.48Å; D107-Y113 WeakPolarHBondContact OD1-CD2 3.47Å; D107-T114 PolarHBondContact O-OG1 3.32Å; D107-C168 WeakPolarHBondContact OD1-CA 3.5Å; D107-C168 WeakPolarHBondContact OD1-CB 3.31Å; D107-S169 PolarHBondContact OD1-N 2.94Å; D107-S169 VanDerWaalsContact OD2-CB 3.24Å; D107-S169 WeakPolarHBondContact OD2-CB 3.3Å; D107-S169 PolarHBondContact OD2-N 3.07Å; D107-S169 PolarHBondContact OD2-OG 3.41Å |
| 108 | D | 90 | Very high | 88.6 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -66 | 169.9 | 177.4 | -74 | -9.4 | 0 | 0 | 0 | 111 | D106 K110 G111 T114 | D106-D108 VanDerWaalsContact C-N 3.25Å; D108-K110 PolarHBondContact O-N 2.69Å; D108-K110 VanDerWaalsContact O-N 3.13Å; D108-G111 WeakPolarHBondContact O-CA 3.39Å; D108-G111 PolarHBondContact O-N 2.81Å; D108-T114 WeakPolarHBondContact O-CB 3.35Å; D108-T114 PolarHBondContact O-OG1 3.09Å |
| 109 | L | 87.6 | Confident | 89.2 | Confident | 161 Ų | 161 | 62.2 Ų | 62.2 | 84% | 0.843 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -32.6 | -178.1 | -67.2 | 174.4 | 0 | 0 | 0 | 113.4 | ||
| 110 | K | 87.8 | Confident | 89.9 | Confident | 121 Ų | 121 | 56.6 Ų | 56.6 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 18 | 173.3 | -61.8 | -177.5 | -176.9 | -178.5 | 0 | 112.5 | F102 E103 D108 | F102-K110 WeakPolarHBondContact CA-O 3.4Å; E103-K110 HydrophobicContact CG-CB 4.34Å; E103-K110 HydrophobicContact CG-CD 4.29Å; E103-K110 PolarHBondContact N-O 3.28Å; E103-K110 WeakPolarHBondContact OE1-CD 3.41Å; E103-K110 IonicContact OE1-NZ 3.82Å; E103-K110 PolarHBondContact OE1-NZ 3.45Å; D108-K110 PolarHBondContact O-N 2.69Å; D108-K110 VanDerWaalsContact O-N 3.13Å |
| 111 | G | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 150.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | D106 D108 Y113 T114 V115 | D106-G111 CarbonylContact O-C 3.6Å; D106-G111 WeakPolarHBondContact O-CA 3.49Å; D106-G111 WeakPolarHBondContact OD1-CA 3.2Å; D108-G111 WeakPolarHBondContact O-CA 3.39Å; D108-G111 PolarHBondContact O-N 2.81Å; G111-Y113 PolarHBondContact O-N 3.41Å; G111-T114 PolarHBondContact O-N 2.89Å; G111-V115 WeakPolarHBondContact O-CG2 3.38Å; G111-V115 PolarHBondContact O-N 3.46Å |
| 112 | F | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -48.6 | -46 | -179.5 | 176 | -93.8 | 0 | 0 | 0 | 112 | F102 K104 F105 D106 Y116 F166 V239 R242 D243 | F102-F112 HydrophobicContact CB-CB 4.4Å; F102-F112 AromaticContact CD1-CD2 3.86Å; F102-F112 HydrophobicContact CD1-CD2 3.86Å; F102-F112 HydrophobicContact CD2-CB 3.8Å; F102-F112 AromaticContact CD2-CD2 4Å; F102-F112 HydrophobicContact CD2-CD2 4Å; F102-F112 HydrophobicContact CD2-CG 4.41Å; F102-F112 AromaticContact CE1-CD2 3.7Å; F102-F112 HydrophobicContact CE1-CD2 3.7Å; F102-F112 HydrophobicContact CE1-CE2 4.18Å; F102-F112 HydrophobicContact CE2-CB 4.25Å; F102-F112 AromaticContact CE2-CD2 3.83Å; F102-F112 HydrophobicContact CE2-CD2 3.83Å; F102-F112 HydrophobicContact CE2-CG 4.49Å; F102-F112 HydrophobicContact CG-CB 4.07Å; F102-F112 HydrophobicContact CG-CD2 4.02Å; F102-F112 AromaticContact CZ-CD2 3.68Å; F102-F112 HydrophobicContact CZ-CD2 3.68Å; F102-F112 HydrophobicContact CZ-CE2 4.25Å; K104-F112 PolarHBondContact O-N 3.49Å; F105-F112 HydrophobicContact CD1-CB 3.81Å; F105-F112 HydrophobicContact CD1-CD1 4.12Å; F105-F112 HydrophobicContact CD1-CD2 4.02Å; F105-F112 AromaticContact CD1-CG 3.73Å; F105-F112 HydrophobicContact CD1-CG 3.73Å; F105-F112 HydrophobicContact CE1-CB 4.33Å; F105-F112 HydrophobicContact CE1-CD1 4.42Å; F105-F112 AromaticContact CE1-CD2 3.7Å; F105-F112 HydrophobicContact CE1-CD2 3.7Å; F105-F112 HydrophobicContact CE1-CE2 4.04Å; F105-F112 AromaticContact CE1-CG 3.9Å; F105-F112 HydrophobicContact CE1-CG 3.9Å; F105-F112 HydrophobicContact CG-CB 4.47Å; D106-F112 PolarHBondContact O-N 2.93Å; F112-Y116 HydrophobicContact CD1-CD2 4.39Å; F112-Y116 AromaticContact CD2-CD2 3.65Å; F112-Y116 HydrophobicContact CD2-CD2 3.65Å; F112-Y116 AromaticContact CD2-CE2 3.49Å; F112-Y116 HydrophobicContact CD2-CE2 3.49Å; F112-Y116 VanDerWaalsContact CD2-CE2 3.49Å; F112-Y116 HydrophobicContact CE1-CD2 4.31Å; F112-Y116 AromaticContact CE2-CD2 3.54Å; F112-Y116 HydrophobicContact CE2-CD2 3.54Å; F112-Y116 AromaticContact CE2-CE2 3.31Å; F112-Y116 HydrophobicContact CE2-CE2 3.31Å; F112-Y116 HydrophobicContact CG-CD2 4.09Å; F112-Y116 HydrophobicContact CG-CE2 4.35Å; F112-Y116 AromaticContact CZ-CD2 3.9Å; F112-Y116 HydrophobicContact CZ-CD2 3.9Å; F112-Y116 HydrophobicContact CZ-CE2 4.07Å; F112-Y116 VanDerWaalsContact O-CD2 3.25Å; F112-Y116 WeakPolarHBondContact O-CD2 3.29Å; F112-Y116 PolarHBondContact O-N 2.86Å; F112-F166 HydrophobicContact CE1-CE1 4.22Å; F112-F166 AromaticContact CE1-CZ 3.91Å; F112-F166 HydrophobicContact CE1-CZ 3.91Å; F112-V239 HydrophobicContact CE1-CG1 4.38Å; F112-V239 HydrophobicContact CE2-CG1 4.45Å; F112-V239 HydrophobicContact CZ-CG1 3.7Å; F112-R242 HydrophobicContact CE2-CB 4.18Å; F112-D243 HydrophobicContact CE1-CB 3.93Å; F112-D243 HydrophobicContact CZ-CB 3.95Å |
| 113 | Y | 93.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.2 | -41.1 | -173.3 | -54.6 | -75.6 | 0 | 0 | 0 | 112.4 | F105 D106 D107 G111 A117 F166 S169 R245 | F105-Y113 WeakPolarHBondContact O-CE2 3.48Å; D106-Y113 WeakPolarHBondContact O-CD2 3.4Å; D107-Y113 VanDerWaalsContact OD1-CB 3.29Å; D107-Y113 WeakPolarHBondContact OD1-CB 3.48Å; D107-Y113 WeakPolarHBondContact OD1-CD2 3.47Å; G111-Y113 PolarHBondContact O-N 3.41Å; Y113-A117 WeakPolarHBondContact O-CB 3.4Å; Y113-A117 PolarHBondContact O-N 3.37Å; Y113-F166 AromaticContact CD1-CE1 3.87Å; Y113-F166 HydrophobicContact CD1-CE1 3.87Å; Y113-S169 VanDerWaalsContact CE2-CA 3.45Å; Y113-R245 HydrophobicContact CE1-CG 4.21Å |
| 114 | T | 93.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.301 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | D107 D108 G111 K118 | D107-T114 PolarHBondContact O-OG1 3.32Å; D108-T114 WeakPolarHBondContact O-CB 3.35Å; D108-T114 PolarHBondContact O-OG1 3.09Å; G111-T114 PolarHBondContact O-N 2.89Å; T114-K118 WeakPolarHBondContact O-CB 3.43Å; T114-K118 PolarHBondContact O-N 3.45Å |
| 115 | V | 92.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -55.8 | 179.1 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | Y96 C101 F102 G111 A117 K118 V119 | Y96-V115 HydrophobicContact CD1-CG1 4.2Å; Y96-V115 HydrophobicContact CE1-CG1 4.28Å; C101-V115 WeakPolarHBondContact O-CG2 3.35Å; F102-V115 HydrophobicContact CB-CG2 4.45Å; G111-V115 WeakPolarHBondContact O-CG2 3.38Å; G111-V115 PolarHBondContact O-N 3.46Å; V115-A117 PolarHBondContact O-N 3.34Å; V115-K118 WeakPolarHBondContact O-CB 3Å; V115-K118 PolarHBondContact O-N 3.41Å; V115-V119 WeakPolarHBondContact O-CG2 3.44Å; V115-V119 PolarHBondContact O-N 3.15Å; V115-V119 VanDerWaalsContact O-N 3.08Å |
| 116 | Y | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.8 | -34.3 | -178.1 | -73.2 | -64.3 | 0 | 0 | 0 | 113 | Y96 C101 F102 F112 K118 V119 F120 L235 Y238 V239 | Y96-Y116 PolarHBondContact O-OH 3.14Å; C101-Y116 PolarHBondContact SG-OH 2.94Å; C101-Y116 VanDerWaalsContact SG-OH 3.39Å; F102-Y116 AromaticContact CD1-CE2 3.93Å; F102-Y116 HydrophobicContact CD1-CE2 3.93Å; F102-Y116 HydrophobicContact CE1-CE2 4.15Å; F112-Y116 HydrophobicContact CD1-CD2 4.39Å; F112-Y116 AromaticContact CD2-CD2 3.65Å; F112-Y116 HydrophobicContact CD2-CD2 3.65Å; F112-Y116 AromaticContact CD2-CE2 3.49Å; F112-Y116 HydrophobicContact CD2-CE2 3.49Å; F112-Y116 VanDerWaalsContact CD2-CE2 3.49Å; F112-Y116 HydrophobicContact CE1-CD2 4.31Å; F112-Y116 AromaticContact CE2-CD2 3.54Å; F112-Y116 HydrophobicContact CE2-CD2 3.54Å; F112-Y116 AromaticContact CE2-CE2 3.31Å; F112-Y116 HydrophobicContact CE2-CE2 3.31Å; F112-Y116 HydrophobicContact CG-CD2 4.09Å; F112-Y116 HydrophobicContact CG-CE2 4.35Å; F112-Y116 AromaticContact CZ-CD2 3.9Å; F112-Y116 HydrophobicContact CZ-CD2 3.9Å; F112-Y116 HydrophobicContact CZ-CE2 4.07Å; F112-Y116 VanDerWaalsContact O-CD2 3.25Å; F112-Y116 WeakPolarHBondContact O-CD2 3.29Å; F112-Y116 PolarHBondContact O-N 2.86Å; Y116-K118 VanDerWaalsContact C-N 3.27Å; Y116-K118 PolarHBondContact O-N 3Å; Y116-V119 PolarHBondContact O-N 2.95Å; Y116-F120 WeakPolarHBondContact O-CD2 3.49Å; Y116-F120 PolarHBondContact O-N 3.49Å; Y116-L235 HydrophobicContact CE1-CD1 4.12Å; Y116-Y238 WeakPolarHBondContact OH-CE1 3.45Å; Y116-V239 HydrophobicContact CD1-CG1 4.47Å; Y116-V239 HydrophobicContact CD1-CG2 3.44Å; Y116-V239 VanDerWaalsContact CD1-CG2 3.44Å; Y116-V239 HydrophobicContact CD2-CG1 4.23Å; Y116-V239 HydrophobicContact CD2-CG2 4.3Å; Y116-V239 HydrophobicContact CE1-CG2 3.34Å; Y116-V239 HydrophobicContact CE2-CG2 4.22Å; Y116-V239 HydrophobicContact CG-CG1 4.16Å; Y116-V239 HydrophobicContact CG-CG2 3.95Å |
| 117 | A | 94 | Very high | 91.8 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y113 V115 A121 F166 | Y113-A117 WeakPolarHBondContact O-CB 3.4Å; Y113-A117 PolarHBondContact O-N 3.37Å; V115-A117 PolarHBondContact O-N 3.34Å; A117-A121 VanDerWaalsContact O-CB 3.3Å; A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 3.2Å; A117-F166 HydrophobicContact CB-CB 4.08Å; A117-F166 HydrophobicContact CB-CD1 4.18Å |
| 118 | K | 93.1 | Very high | 91.6 | Very high | 132 Ų | 132 | 47.8 Ų | 47.8 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.6 | -47.5 | 174.7 | -175.2 | -179.6 | 176.3 | -178.6 | 0 | 111.8 | T114 V115 Y116 F120 A121 D122 | T114-K118 WeakPolarHBondContact O-CB 3.43Å; T114-K118 PolarHBondContact O-N 3.45Å; V115-K118 WeakPolarHBondContact O-CB 3Å; V115-K118 PolarHBondContact O-N 3.41Å; Y116-K118 VanDerWaalsContact C-N 3.27Å; Y116-K118 PolarHBondContact O-N 3Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-F120 PolarHBondContact O-N 3.13Å; K118-A121 CarbonylContact O-C 3.57Å; K118-A121 WeakPolarHBondContact O-CA 3.21Å; K118-A121 WeakPolarHBondContact O-CB 3.29Å; K118-A121 PolarHBondContact O-N 2.91Å; K118-A121 VanDerWaalsContact O-N 3.07Å; K118-D122 VanDerWaalsContact O-CG 3.26Å; K118-D122 PolarHBondContact O-N 3.13Å |
| 119 | V | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.5 | -47.9 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | Y96 V115 Y116 A121 D122 I123 L235 | Y96-V119 HydrophobicContact CD1-CG2 3.47Å; Y96-V119 VanDerWaalsContact CD1-CG2 3.47Å; Y96-V119 HydrophobicContact CD2-CB 4.45Å; Y96-V119 HydrophobicContact CD2-CG1 3.83Å; Y96-V119 HydrophobicContact CD2-CG2 3.66Å; Y96-V119 HydrophobicContact CE1-CG2 3.26Å; Y96-V119 HydrophobicContact CE2-CB 4.32Å; Y96-V119 HydrophobicContact CE2-CG1 3.91Å; Y96-V119 HydrophobicContact CE2-CG2 3.45Å; Y96-V119 VanDerWaalsContact CE2-CG2 3.45Å; Y96-V119 HydrophobicContact CG-CG1 4.37Å; Y96-V119 HydrophobicContact CG-CG2 3.66Å; V115-V119 WeakPolarHBondContact O-CG2 3.44Å; V115-V119 PolarHBondContact O-N 3.15Å; V115-V119 VanDerWaalsContact O-N 3.08Å; Y116-V119 PolarHBondContact O-N 2.95Å; V119-A121 VanDerWaalsContact C-N 3.3Å; V119-A121 PolarHBondContact O-N 3.24Å; V119-D122 PolarHBondContact O-N 3.15Å; V119-I123 HydrophobicContact CG1-CD1 3.89Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.42Å; V119-I123 PolarHBondContact O-N 3.13Å; V119-L235 HydrophobicContact CG1-CD2 3.88Å |
| 120 | F | 95.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.2 | -28.4 | 179 | -71.5 | -67 | 0 | 0 | 0 | 112.5 | Y116 K118 I123 T124 F166 F180 W184 L235 V236 V239 | Y116-F120 WeakPolarHBondContact O-CD2 3.49Å; Y116-F120 PolarHBondContact O-N 3.49Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-F120 PolarHBondContact O-N 3.13Å; F120-I123 HydrophobicContact CD1-CD1 4.36Å; F120-T124 WeakPolarHBondContact O-CB 3.42Å; F120-T124 PolarHBondContact O-N 3.19Å; F120-T124 PolarHBondContact O-OG1 3.32Å; F120-F166 HydrophobicContact CD2-CD2 4.37Å; F120-F180 HydrophobicContact CB-CE2 4.25Å; F120-F180 HydrophobicContact CB-CZ 4.37Å; F120-F180 HydrophobicContact CD1-CE2 4.47Å; F120-F180 AromaticContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD2-CE1 4.45Å; F120-F180 HydrophobicContact CD2-CE2 4.13Å; F120-F180 AromaticContact CD2-CZ 3.47Å; F120-F180 HydrophobicContact CD2-CZ 3.47Å; F120-F180 VanDerWaalsContact CD2-CZ 3.47Å; F120-F180 HydrophobicContact CE1-CZ 4.06Å; F120-F180 HydrophobicContact CE2-CE1 4.22Å; F120-F180 AromaticContact CE2-CZ 3.62Å; F120-F180 HydrophobicContact CE2-CZ 3.62Å; F120-F180 HydrophobicContact CG-CE2 4.04Å; F120-F180 AromaticContact CG-CZ 3.66Å; F120-F180 HydrophobicContact CG-CZ 3.66Å; F120-F180 HydrophobicContact CZ-CE1 4.41Å; F120-F180 AromaticContact CZ-CZ 3.91Å; F120-F180 HydrophobicContact CZ-CZ 3.91Å; F120-W184 HydrophobicContact CB-CZ2 4.09Å; F120-W184 AromaticContact CD1-CD2 3.82Å; F120-W184 HydrophobicContact CD1-CD2 3.82Å; F120-W184 AromaticContact CD1-CE2 3.79Å; F120-W184 AromaticContact CD1-CE3 3.86Å; F120-W184 HydrophobicContact CD1-CE3 3.86Å; F120-W184 HydrophobicContact CD1-CG 4.49Å; F120-W184 AromaticContact CD1-CH2 3.9Å; F120-W184 HydrophobicContact CD1-CH2 3.9Å; F120-W184 AromaticContact CD1-CZ2 3.85Å; F120-W184 HydrophobicContact CD1-CZ2 3.85Å; F120-W184 AromaticContact CD1-CZ3 3.91Å; F120-W184 HydrophobicContact CD1-CZ3 3.91Å; F120-W184 HydrophobicContact CE1-CD2 4.07Å; F120-W184 HydrophobicContact CE1-CE3 4Å; F120-W184 HydrophobicContact CE1-CG 4.47Å; F120-W184 HydrophobicContact CE1-CZ3 4.37Å; F120-W184 HydrophobicContact CG-CZ2 4.4Å; F120-L235 HydrophobicContact CE1-CD2 4.2Å; F120-L235 HydrophobicContact CZ-CD2 4.09Å; F120-L235 HydrophobicContact CZ-CG 4.34Å; F120-V236 HydrophobicContact CE1-CG2 3.77Å; F120-V236 HydrophobicContact CZ-CG2 3.98Å; F120-V239 HydrophobicContact CE2-CG2 4.4Å; F120-V239 HydrophobicContact CZ-CG2 4.49Å |
| 121 | A | 93.6 | Very high | 90.7 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 44% | 0.438 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A117 K118 V119 I123 T124 E125 | A117-A121 VanDerWaalsContact O-CB 3.3Å; A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 3.2Å; K118-A121 CarbonylContact O-C 3.57Å; K118-A121 WeakPolarHBondContact O-CA 3.21Å; K118-A121 WeakPolarHBondContact O-CB 3.29Å; K118-A121 PolarHBondContact O-N 2.91Å; K118-A121 VanDerWaalsContact O-N 3.07Å; V119-A121 VanDerWaalsContact C-N 3.3Å; V119-A121 PolarHBondContact O-N 3.24Å; A121-I123 PolarHBondContact O-N 2.66Å; A121-T124 CarbonylContact O-C 3.49Å; A121-T124 WeakPolarHBondContact O-CA 3.48Å; A121-T124 WeakPolarHBondContact O-CB 2.88Å; A121-T124 PolarHBondContact O-N 3.45Å; A121-T124 VanDerWaalsContact O-N 3.12Å; A121-E125 PolarHBondContact O-N 3.25Å |
| 122 | D | 92.6 | Very high | 89.8 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.9 | -63.8 | -14.6 | 0 | 0 | 0 | 110.7 | V91 K118 V119 T124 E125 E126 | V91-D122 HydrophobicContact CG2-CB 3.72Å; K118-D122 VanDerWaalsContact O-CG 3.26Å; K118-D122 PolarHBondContact O-N 3.13Å; V119-D122 PolarHBondContact O-N 3.15Å; D122-T124 VanDerWaalsContact C-N 3.32Å; D122-T124 PolarHBondContact O-N 3.26Å; D122-E125 PolarHBondContact O-N 3.03Å; D122-E126 WeakPolarHBondContact O-CB 3.4Å; D122-E126 PolarHBondContact O-N 2.86Å |
| 123 | I | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 173.8 | -63 | 164.5 | 0 | 0 | 0 | 110.6 | V91 V93 V119 F120 A121 E125 E126 E127 W184 F187 I232 L235 | V91-I123 HydrophobicContact CB-CG1 4.21Å; V91-I123 HydrophobicContact CG1-CG1 4.25Å; V91-I123 HydrophobicContact CG2-CG1 4.41Å; V93-I123 HydrophobicContact CG2-CD1 4.04Å; V119-I123 HydrophobicContact CG1-CD1 3.89Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.42Å; V119-I123 PolarHBondContact O-N 3.13Å; F120-I123 HydrophobicContact CD1-CD1 4.36Å; A121-I123 PolarHBondContact O-N 2.66Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-E125 PolarHBondContact O-N 3.31Å; I123-E126 WeakPolarHBondContact O-CB 3.5Å; I123-E126 PolarHBondContact O-N 3.42Å; I123-E127 HydrophobicContact CG2-CG 4.41Å; I123-E127 WeakPolarHBondContact O-CB 3.31Å; I123-E127 VanDerWaalsContact O-CG 3.25Å; I123-E127 WeakPolarHBondContact O-CG 3.22Å; I123-E127 PolarHBondContact O-N 3.37Å; I123-W184 HydrophobicContact CB-CH2 4.06Å; I123-W184 HydrophobicContact CB-CZ3 4.38Å; I123-W184 HydrophobicContact CG2-CH2 3.72Å; I123-W184 HydrophobicContact CG2-CZ3 3.71Å; I123-F187 HydrophobicContact CG2-CE2 4.46Å; I123-F187 HydrophobicContact CG2-CZ 4.32Å; I123-I232 HydrophobicContact CG2-CD1 3.87Å; I123-L235 HydrophobicContact CD1-CD2 4.29Å |
| 124 | T | 92.2 | Very high | 87.1 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.3 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | F120 A121 D122 E127 K128 Y163 W184 | F120-T124 WeakPolarHBondContact O-CB 3.42Å; F120-T124 PolarHBondContact O-N 3.19Å; F120-T124 PolarHBondContact O-OG1 3.32Å; A121-T124 CarbonylContact O-C 3.49Å; A121-T124 WeakPolarHBondContact O-CA 3.48Å; A121-T124 WeakPolarHBondContact O-CB 2.88Å; A121-T124 PolarHBondContact O-N 3.45Å; A121-T124 VanDerWaalsContact O-N 3.12Å; D122-T124 VanDerWaalsContact C-N 3.32Å; D122-T124 PolarHBondContact O-N 3.26Å; T124-E127 PolarHBondContact O-N 2.78Å; T124-K128 HydrophobicContact CG2-CD 3.95Å; T124-K128 VanDerWaalsContact CG2-CE 3.47Å; T124-K128 HydrophobicContact CG2-CG 4.38Å; T124-K128 WeakPolarHBondContact O-CB 3.42Å; T124-K128 VanDerWaalsContact O-CG 3.24Å; T124-K128 WeakPolarHBondContact O-CG 3.49Å; T124-K128 PolarHBondContact O-N 2.89Å; T124-Y163 HydrophobicContact CG2-CD1 4.08Å; T124-Y163 HydrophobicContact CG2-CD2 3.79Å; T124-Y163 HydrophobicContact CG2-CG 3.56Å; T124-W184 WeakPolarHBondContact OG1-CZ2 3.33Å |
| 125 | E | 89.2 | Confident | 85.2 | Confident | 125 Ų | 125 | 53 Ų | 53 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 176.7 | -176 | 162.7 | -149.2 | 0 | 0 | 111.4 | A121 D122 I123 E127 K128 C129 | A121-E125 PolarHBondContact O-N 3.25Å; D122-E125 PolarHBondContact O-N 3.03Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-E125 PolarHBondContact O-N 3.31Å; E125-E127 VanDerWaalsContact C-N 3.26Å; E125-E127 PolarHBondContact O-N 3.34Å; E125-K128 PolarHBondContact O-N 3.43Å; E125-C129 WeakPolarHBondContact O-CB 3.4Å; E125-C129 PolarHBondContact O-N 2.91Å; E125-C129 PolarHBondContact O-SG 3.27Å; E125-C129 VanDerWaalsContact O-SG 3.36Å |
| 126 | E | 87.9 | Confident | 82.5 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.7 | -45.5 | 172.8 | -179 | -174.2 | 137.6 | 0 | 0 | 111.1 | V91 D122 I123 A130 K191 R228 | V91-E126 WeakPolarHBondContact CG2-OE2 3.49Å; V91-E126 PolarHBondContact N-OE2 3.29Å; D122-E126 WeakPolarHBondContact O-CB 3.4Å; D122-E126 PolarHBondContact O-N 2.86Å; I123-E126 WeakPolarHBondContact O-CB 3.5Å; I123-E126 PolarHBondContact O-N 3.42Å; E126-A130 WeakPolarHBondContact O-CB 3.37Å; E126-A130 PolarHBondContact O-N 2.82Å; E126-K191 VanDerWaalsContact CG-CE 3.49Å; E126-K191 VanDerWaalsContact OE1-CE 3.28Å; E126-K191 WeakPolarHBondContact OE1-CE 3.23Å; E126-K191 IonicContact OE1-NZ 3.72Å; E126-K191 PolarHBondContact OE1-NZ 3.22Å; E126-R228 IonicContact OE1-CZ 3.59Å; E126-R228 IonicContact OE1-NE 3.94Å; E126-R228 IonicContact OE1-NH2 3.2Å; E126-R228 PolarHBondContact OE1-NH2 2.88Å; E126-R228 IonicContact OE2-NH2 2.6Å; E126-R228 PolarHBondContact OE2-NH2 3.03Å |
| 127 | E | 90.3 | Very high | 80 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72 | -37.9 | 179 | -71.5 | -64.8 | 142.2 | 0 | 0 | 113.6 | I123 T124 E125 A130 A131 Y163 F187 T189 K190 | I123-E127 HydrophobicContact CG2-CG 4.41Å; I123-E127 WeakPolarHBondContact O-CB 3.31Å; I123-E127 VanDerWaalsContact O-CG 3.25Å; I123-E127 WeakPolarHBondContact O-CG 3.22Å; I123-E127 PolarHBondContact O-N 3.37Å; T124-E127 PolarHBondContact O-N 2.78Å; E125-E127 VanDerWaalsContact C-N 3.26Å; E125-E127 PolarHBondContact O-N 3.34Å; E127-A130 PolarHBondContact O-N 3.42Å; E127-A131 WeakPolarHBondContact O-CB 3.21Å; E127-A131 PolarHBondContact O-N 3Å; E127-Y163 HydrophobicContact CB-CE1 4.17Å; E127-Y163 WeakPolarHBondContact CB-OH 3.43Å; E127-F187 HydrophobicContact CG-CE2 4.01Å; E127-F187 HydrophobicContact CG-CZ 3.69Å; E127-T189 VanDerWaalsContact OE1-CB 3.23Å; E127-T189 WeakPolarHBondContact OE1-CB 3.17Å; E127-T189 PolarHBondContact OE1-OG1 3.14Å; E127-T189 VanDerWaalsContact OE2-CA 3.26Å; E127-T189 WeakPolarHBondContact OE2-CA 3.27Å; E127-T189 PolarHBondContact OE2-OG1 3.02Å; E127-K190 PolarHBondContact OE2-N 3.08Å |
| 128 | K | 86.8 | Confident | 77.5 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 48% | 0.483 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.5 | -77.7 | 171.9 | 179.3 | 174 | 0 | 111 | T124 E125 A131 K132 Y163 | T124-K128 HydrophobicContact CG2-CD 3.95Å; T124-K128 VanDerWaalsContact CG2-CE 3.47Å; T124-K128 HydrophobicContact CG2-CG 4.38Å; T124-K128 WeakPolarHBondContact O-CB 3.42Å; T124-K128 VanDerWaalsContact O-CG 3.24Å; T124-K128 WeakPolarHBondContact O-CG 3.49Å; T124-K128 PolarHBondContact O-N 2.89Å; E125-K128 PolarHBondContact O-N 3.43Å; K128-A131 PolarHBondContact O-N 3.23Å; K128-K132 WeakPolarHBondContact O-CG 3.42Å; K128-K132 PolarHBondContact O-N 3.43Å; K128-K132 VanDerWaalsContact O-N 3.13Å; K128-Y163 HydrophobicContact CG-CE2 4.32Å |
| 129 | C | 84 | Confident | 75 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 175.8 | -73 | 0 | 0 | 0 | 0 | 111.5 | E125 A131 K132 F133 | E125-C129 WeakPolarHBondContact O-CB 3.4Å; E125-C129 PolarHBondContact O-N 2.91Å; E125-C129 PolarHBondContact O-SG 3.27Å; E125-C129 VanDerWaalsContact O-SG 3.36Å; C129-A131 VanDerWaalsContact C-N 3.32Å; C129-A131 PolarHBondContact O-N 3.09Å; C129-K132 PolarHBondContact O-N 3.37Å; C129-F133 PolarHBondContact O-N 3.36Å |
| 130 | A | 82.5 | Confident | 72.4 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 16% | 0.157 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E126 E127 F133 S134 K191 | E126-A130 WeakPolarHBondContact O-CB 3.37Å; E126-A130 PolarHBondContact O-N 2.82Å; E127-A130 PolarHBondContact O-N 3.42Å; A130-F133 PolarHBondContact O-N 2.91Å; A130-S134 PolarHBondContact O-N 3.37Å; A130-S134 VanDerWaalsContact O-N 3.11Å; A130-K191 HydrophobicContact CB-CB 4.37Å; A130-K191 HydrophobicContact CB-CG 3.41Å; A130-K191 VanDerWaalsContact CB-CG 3.41Å |
| 131 | A | 78.3 | Confident | 69.9 | Low | 42 Ų | 42 | 75 Ų | 75 | 35% | 0.347 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E127 K128 C129 F133 S134 | E127-A131 WeakPolarHBondContact O-CB 3.21Å; E127-A131 PolarHBondContact O-N 3Å; K128-A131 PolarHBondContact O-N 3.23Å; C129-A131 VanDerWaalsContact C-N 3.32Å; C129-A131 PolarHBondContact O-N 3.09Å; A131-F133 VanDerWaalsContact C-N 3.33Å; A131-F133 PolarHBondContact O-N 3.21Å; A131-S134 PolarHBondContact O-N 3.23Å; A131-S134 PolarHBondContact O-OG 2.91Å |
| 132 | K | 74 | Confident | 67.5 | Low | 159 Ų | 159 | 82.2 Ų | 82.2 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 175.6 | -71.4 | 173 | -177.1 | 178.3 | 0 | 111.5 | K128 C129 | K128-K132 WeakPolarHBondContact O-CG 3.42Å; K128-K132 PolarHBondContact O-N 3.43Å; K128-K132 VanDerWaalsContact O-N 3.13Å; C129-K132 PolarHBondContact O-N 3.37Å |
| 133 | F | 65.7 | Low | 65.1 | Low | 154 Ų | 154 | 83.2 Ų | 83.2 | 68% | 0.675 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.1 | -39 | 179.8 | -169.6 | -100.5 | 0 | 0 | 0 | 112.5 | C129 A130 A131 G135 C136 | C129-F133 PolarHBondContact O-N 3.36Å; A130-F133 PolarHBondContact O-N 2.91Å; A131-F133 VanDerWaalsContact C-N 3.33Å; A131-F133 PolarHBondContact O-N 3.21Å; F133-G135 PolarHBondContact O-N 3.2Å; F133-G135 VanDerWaalsContact O-N 3.09Å; F133-C136 PolarHBondContact O-N 3.24Å |
| 134 | S | 62.6 | Low | 62.9 | Low | 52 Ų | 52 | 91.2 Ų | 91.2 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -13.6 | -178.6 | 75.8 | 0 | 0 | 0 | 0 | 115.1 | A130 A131 | A130-S134 PolarHBondContact O-N 3.37Å; A130-S134 VanDerWaalsContact O-N 3.11Å; A131-S134 PolarHBondContact O-N 3.23Å; A131-S134 PolarHBondContact O-OG 2.91Å |
| 135 | G | 53.6 | Low | 60.9 | Low | 55 Ų | 55 | 94.7 Ų | 94.7 | 57% | 0.567 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -3.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F133 | F133-G135 PolarHBondContact O-N 3.2Å; F133-G135 VanDerWaalsContact O-N 3.09Å |
| 136 | C | 37.2 | Very low | 59.3 | Low | 94 Ų | 94 | 96.5 Ų | 96.5 | 64% | 0.635 | 56% | 0.563 | S | S | * | * | trans | -99.8 | 116.4 | -176.7 | -138.5 | 0 | 0 | 0 | 0 | 110.4 | F133 M138 | F133-C136 PolarHBondContact O-N 3.24Å; C136-M138 PolarHBondContact O-N 2.82Å | ||
| 137 | P | 42.4 | Very low | 57.9 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | trans | -58.9 | 125.6 | 156.3 | -7.6 | 23.3 | 0 | 0 | 0 | 106.3 | S139 | P137-S139 PolarHBondContact O-N 2.81Š| ||
| 138 | M | 41.1 | Very low | 56.1 | Low | 160 Ų | 160 | 109.8 Ų | 109.8 | 79% | 0.788 | 64% | 0.635 | S | S | * | * | trans | -56.9 | 88.4 | 167.5 | -78.7 | -85.1 | -70 | 0 | 0 | 108.6 | C136 S140 | C136-M138 PolarHBondContact O-N 2.82Å; M138-S140 PolarHBondContact O-N 3.28Å; M138-S140 VanDerWaalsContact O-N 3.12Å | ||
| 139 | S | 39.9 | Very low | 54.8 | Low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | trans | -81.5 | 81.5 | 161.4 | 68.5 | 0 | 0 | 0 | 0 | 106.8 | P137 S141 | P137-S139 PolarHBondContact O-N 2.81Å; S139-S141 PolarHBondContact O-N 2.93Å | ||
| 140 | S | 39.3 | Very low | 53.6 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -64.1 | 83.9 | 155.4 | 52.5 | 0 | 0 | 0 | 0 | 107.8 | M138 | M138-S140 PolarHBondContact O-N 3.28Å; M138-S140 VanDerWaalsContact O-N 3.12Å | ||
| 141 | S | 41.8 | Very low | 52 | Low | 78 Ų | 78 | 122.6 Ų | 122.6 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | trans | -154.4 | 89.5 | 162.8 | -170.7 | 0 | 0 | 0 | 0 | 106.4 | S139 S143 | S139-S141 PolarHBondContact O-N 2.93Å; S141-S143 PolarHBondContact O-N 3.32Å; S141-S143 PolarHBondContact OG-OG 2.57Å | ||
| 142 | E | 43.4 | Very low | 50.7 | Low | 205 Ų | 205 | 126.4 Ų | 126.4 | 96% | 0.958 | 72% | 0.718 | S | S | * | * | trans | -62.7 | 82.3 | 152.5 | -67.7 | 172.9 | 161.1 | 0 | 0 | 106.1 | ||||
| 143 | S | 42.8 | Very low | 49.5 | Very low | 73 Ų | 73 | 126 Ų | 126 | 51% | 0.51 | 72% | 0.716 | S | S | . | * | trans | -113.7 | 96.1 | 163.5 | 50.7 | 0 | 0 | 0 | 0 | 105.7 | S141 S145 | S141-S143 PolarHBondContact O-N 3.32Å; S141-S143 PolarHBondContact OG-OG 2.57Å; S143-S145 VanDerWaalsContact C-N 3.26Å; S143-S145 PolarHBondContact O-N 3.18Å | ||
| 144 | D | 46.7 | Very low | 48.8 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -58.3 | 92.4 | 162 | -75.4 | -30 | 0 | 0 | 0 | 107.7 | ||||
| 145 | S | 50.3 | Low | 48.1 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -138.9 | 104.3 | 168.1 | 59 | 0 | 0 | 0 | 0 | 108 | S143 D147 | S143-S145 VanDerWaalsContact C-N 3.26Å; S143-S145 PolarHBondContact O-N 3.18Å; S145-D147 PolarHBondContact O-N 3.46Å | ||
| 146 | D | 55.5 | Low | 47.8 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | -74.8 | 30.7 | -173.4 | -72.4 | -45.2 | 0 | 0 | 0 | 114.8 | ||||
| 147 | D | 57.8 | Low | 48.4 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -136.2 | 101.2 | -176.6 | -70.5 | -51.4 | 0 | 0 | 0 | 109.9 | S145 | S145-D147 PolarHBondContact O-N 3.46Š| ||
| 148 | D | 53.4 | Low | 48.9 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | 147.2 | 73.2 | 151.9 | -74.7 | -34.1 | 0 | 0 | 0 | 112.4 | D150 | D148-D150 VanDerWaalsContact C-N 3.27Å; D148-D150 PolarHBondContact O-N 3.43Å | ||
| 149 | E | 58.1 | Low | 49.7 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -4.2 | 178.4 | -88.1 | -158 | 149.1 | 0 | 0 | 115.7 | ||
| 150 | D | 58.4 | Low | 51 | Low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 4.3 | -162.7 | -122.9 | -13.7 | 0 | 0 | 0 | 117.8 | D148 K153 | D148-D150 VanDerWaalsContact C-N 3.27Å; D148-D150 PolarHBondContact O-N 3.43Å; D150-K153 IonicContact OD1-NZ 3.75Å; D150-K153 PolarHBondContact OD1-NZ 3.34Å |
| 151 | N | 49.6 | Very low | 52.6 | Low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105.6 | 2.9 | -175.3 | -150.1 | 5.3 | 0 | 0 | 0 | 116.3 | K153 | N151-K153 VanDerWaalsContact C-N 3.33Å; N151-K153 PolarHBondContact O-N 3.11Å |
| 152 | C | 50.3 | Low | 54.8 | Low | 122 Ų | 122 | 142.9 Ų | 142.9 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 1.9 | -178.6 | -165.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 153 | K | 49.5 | Very low | 57 | Low | 150 Ų | 150 | 134.7 Ų | 134.7 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -13.8 | -174.3 | -77.4 | 171 | -172.7 | 142.6 | 0 | 115.3 | D150 N151 Y155 S156 | D150-K153 IonicContact OD1-NZ 3.75Å; D150-K153 PolarHBondContact OD1-NZ 3.34Å; N151-K153 VanDerWaalsContact C-N 3.33Å; N151-K153 PolarHBondContact O-N 3.11Å; K153-Y155 PolarHBondContact O-N 2.94Å; K153-S156 WeakPolarHBondContact O-CB 3.35Å; K153-S156 PolarHBondContact O-OG 3.2Å |
| 154 | K | 50.9 | Low | 59.4 | Low | 179 Ų | 179 | 132.5 Ų | 132.5 | 78% | 0.778 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -15.5 | -168.8 | -105.8 | 176.9 | -178.5 | 167.1 | 0 | 116.8 | ||
| 155 | Y | 47.7 | Very low | 61.6 | Low | 224 Ų | 224 | 129.2 Ų | 129.2 | 88% | 0.878 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 8.1 | 175.6 | -66.8 | -77.5 | 0 | 0 | 0 | 114 | K153 G157 | K153-Y155 PolarHBondContact O-N 2.94Å; Y155-G157 PolarHBondContact O-N 3.25Å |
| 156 | S | 48.6 | Very low | 63.7 | Low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 3.5 | -176 | 64.2 | 0 | 0 | 0 | 0 | 115.4 | K153 R158 | K153-S156 WeakPolarHBondContact O-CB 3.35Å; K153-S156 PolarHBondContact O-OG 3.2Å; S156-R158 VanDerWaalsContact C-N 3.31Å; S156-R158 PolarHBondContact O-N 2.9Å |
| 157 | G | 49.1 | Very low | 65.4 | Low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y155 K159 | Y155-G157 PolarHBondContact O-N 3.25Å; G157-K159 PolarHBondContact O-N 3.29Å; G157-K159 VanDerWaalsContact O-N 3.15Å |
| 158 | R | 51.9 | Low | 67 | Low | 204 Ų | 204 | 114.6 Ų | 114.6 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -86 | 90.5 | 180 | -155.6 | 178.6 | -159.1 | -173.1 | 6.6 | 109.8 | S156 S160 | S156-R158 VanDerWaalsContact C-N 3.31Å; S156-R158 PolarHBondContact O-N 2.9Å; R158-S160 PolarHBondContact O-N 2.87Å |
| 159 | K | 59 | Low | 68.8 | Low | 201 Ų | 201 | 109.1 Ų | 109.1 | 87% | 0.874 | 58% | 0.582 | S | S | * | * | trans | -45.2 | 114.9 | 174.1 | -70.8 | -176.1 | 179.2 | -178.1 | 0 | 110 | G157 R161 | G157-K159 PolarHBondContact O-N 3.29Å; G157-K159 VanDerWaalsContact O-N 3.15Å; K159-R161 PolarHBondContact O-N 3.34Å | ||
| 160 | S | 66.5 | Low | 70.4 | Confident | 116 Ų | 116 | 104.3 Ų | 104.3 | 81% | 0.811 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 130.7 | 173 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | R158 S162 | R158-S160 PolarHBondContact O-N 2.87Å; S160-S162 PolarHBondContact O-N 3.45Å; S160-S162 VanDerWaalsContact O-N 3.12Å |
| 161 | R | 74.2 | Confident | 72 | Confident | 79 Ų | 79 | 99.4 Ų | 99.4 | 30% | 0.298 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 119.3 | 178.4 | -161.4 | 178.3 | -163.9 | 179.1 | 2.7 | 107.8 | K159 Y163 F183 E188 | K159-R161 PolarHBondContact O-N 3.34Å; R161-Y163 HydrophobicContact CB-CE2 4.07Å; R161-Y163 WeakPolarHBondContact O-CD2 3.34Å; R161-Y163 VanDerWaalsContact O-CE2 3.28Å; R161-Y163 WeakPolarHBondContact O-CE2 3.34Å; R161-F183 HydrophobicContact CG-CE2 3.98Å; R161-F183 HydrophobicContact CG-CZ 4.22Å; R161-E188 PolarHBondContact NH1-O 3.06Å |
| 162 | S | 86.2 | Confident | 74 | Confident | 102 Ų | 102 | 95.8 Ų | 95.8 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -78 | 123.9 | 174.2 | 56.9 | 0 | 0 | 0 | 0 | 108.9 | S160 | S160-S162 PolarHBondContact O-N 3.45Å; S160-S162 VanDerWaalsContact O-N 3.12Å |
| 163 | Y | 91.3 | Very high | 76 | Confident | 32 Ų | 32 | 92.9 Ų | 92.9 | 13% | 0.125 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 118.9 | 176.3 | -66.4 | -100.5 | 0 | 0 | 0 | 108.1 | T124 E127 K128 R161 F183 W184 F187 | T124-Y163 HydrophobicContact CG2-CD1 4.08Å; T124-Y163 HydrophobicContact CG2-CD2 3.79Å; T124-Y163 HydrophobicContact CG2-CG 3.56Å; E127-Y163 HydrophobicContact CB-CE1 4.17Å; E127-Y163 WeakPolarHBondContact CB-OH 3.43Å; K128-Y163 HydrophobicContact CG-CE2 4.32Å; R161-Y163 HydrophobicContact CB-CE2 4.07Å; R161-Y163 WeakPolarHBondContact O-CD2 3.34Å; R161-Y163 VanDerWaalsContact O-CE2 3.28Å; R161-Y163 WeakPolarHBondContact O-CE2 3.34Å; Y163-F183 AromaticContact CD1-CE1 3.44Å; Y163-F183 HydrophobicContact CD1-CE1 3.44Å; Y163-F183 VanDerWaalsContact CD1-CE1 3.44Å; Y163-F183 AromaticContact CD1-CZ 3.48Å; Y163-F183 HydrophobicContact CD1-CZ 3.48Å; Y163-F183 VanDerWaalsContact CD1-CZ 3.48Å; Y163-F183 AromaticContact CE1-CE1 3.89Å; Y163-F183 HydrophobicContact CE1-CE1 3.89Å; Y163-F183 AromaticContact CE1-CZ 3.67Å; Y163-F183 HydrophobicContact CE1-CZ 3.67Å; Y163-F183 HydrophobicContact CG-CE1 4.25Å; Y163-F183 HydrophobicContact CG-CZ 4.07Å; Y163-W184 HydrophobicContact CD1-CH2 4.42Å; Y163-W184 HydrophobicContact CD1-CZ2 4.21Å; Y163-F187 HydrophobicContact CE1-CE2 4.33Å |
| 164 | P | 93.5 | Very high | 78 | Confident | 28 Ų | 28 | 94.1 Ų | 94.1 | 18% | 0.182 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 138.6 | 179 | 26.7 | -32.5 | 0 | 0 | 0 | 110.8 | F180 F183 | P164-F180 HydrophobicContact CB-CB 4.48Å; P164-F180 WeakPolarHBondContact O-CD2 3.31Å; P164-F183 VanDerWaalsContact CD-CG 3.5Å; P164-F183 HydrophobicContact CG-CB 3.55Å; P164-F183 HydrophobicContact CG-CD1 4Å; P164-F183 HydrophobicContact CG-CG 3.79Å |
| 165 | P | 93 | Very high | 80 | Confident | 98 Ų | 98 | 92.8 Ų | 92.8 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 154.9 | 176.8 | 31.3 | -35 | 0 | 0 | 0 | 111.7 | G167 F180 | P165-G167 VanDerWaalsContact C-N 3.35Å; P165-F180 WeakPolarHBondContact O-CD2 3.4Å |
| 166 | F | 93.8 | Very high | 82.2 | Confident | 7 Ų | 7 | 84 Ų | 84 | 3% | 0.031 | 48% | 0.475 | C | S | . | . | trans | -72.4 | -26.7 | 179.6 | -171.4 | -119.5 | 0 | 0 | 0 | 113.9 | F112 Y113 A117 F120 F180 V239 R245 | F112-F166 HydrophobicContact CE1-CE1 4.22Å; F112-F166 AromaticContact CE1-CZ 3.91Å; F112-F166 HydrophobicContact CE1-CZ 3.91Å; Y113-F166 AromaticContact CD1-CE1 3.87Å; Y113-F166 HydrophobicContact CD1-CE1 3.87Å; A117-F166 HydrophobicContact CB-CB 4.08Å; A117-F166 HydrophobicContact CB-CD1 4.18Å; F120-F166 HydrophobicContact CD2-CD2 4.37Å; F166-F180 HydrophobicContact CB-CD2 4.24Å; F166-F180 HydrophobicContact CB-CE2 3.92Å; F166-F180 HydrophobicContact CB-CZ 4.37Å; F166-F180 AromaticContact CD2-CD1 3.75Å; F166-F180 HydrophobicContact CD2-CD1 3.75Å; F166-F180 HydrophobicContact CD2-CD2 4.13Å; F166-F180 AromaticContact CD2-CE1 3.4Å; F166-F180 HydrophobicContact CD2-CE1 3.4Å; F166-F180 AromaticContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CG 4.14Å; F166-F180 AromaticContact CD2-CZ 3.42Å; F166-F180 HydrophobicContact CD2-CZ 3.42Å; F166-F180 VanDerWaalsContact CD2-CZ 3.42Å; F166-F180 HydrophobicContact CE2-CD1 4.15Å; F166-F180 AromaticContact CE2-CE1 3.73Å; F166-F180 HydrophobicContact CE2-CE1 3.73Å; F166-F180 HydrophobicContact CE2-CZ 4.12Å; F166-F180 HydrophobicContact CG-CE2 4.34Å; F166-F180 HydrophobicContact CG-CZ 4.32Å; F166-V239 HydrophobicContact CE2-CG1 4.07Å; F166-V239 HydrophobicContact CZ-CG1 3.9Å; F166-R245 VanDerWaalsContact CZ-NH2 3.31Å; F166-R245 PolarHBondContact O-NH1 3.41Å; F166-R245 PolarHBondContact O-NH2 3.2Å | ||
| 167 | G | 91.5 | Very high | 84.3 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 29% | 0.289 | 44% | 0.444 | S | S | . | . | trans | 75.7 | -168.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | P165 S171 | P165-G167 VanDerWaalsContact C-N 3.35Å; G167-S171 WeakPolarHBondContact CA-OG 3.24Å | ||
| 168 | C | 91.3 | Very high | 86.5 | Confident | 45 Ų | 45 | 77.1 Ų | 77.1 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | trans | -117.2 | -179.7 | 179.4 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | D107 S170 S171 R245 | D107-C168 WeakPolarHBondContact OD1-CA 3.5Å; D107-C168 WeakPolarHBondContact OD1-CB 3.31Å; C168-S170 PolarHBondContact O-N 3.34Å; C168-S170 PolarHBondContact SG-OG 3.05Å; C168-S171 PolarHBondContact N-OG 3.4Å; C168-S171 WeakPolarHBondContact O-CB 3.44Å; C168-S171 PolarHBondContact O-N 3.09Å; C168-S171 VanDerWaalsContact O-N 3.13Å; C168-S171 PolarHBondContact O-OG 3.49Å; C168-S171 PolarHBondContact SG-OG 3.35Å; C168-R245 PolarHBondContact O-NH1 3.27Å | ||
| 169 | S | 91.3 | Very high | 88.5 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 33% | 0.329 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -36.2 | -179.7 | 68 | 0 | 0 | 0 | 0 | 114.2 | D107 Y113 | D107-S169 PolarHBondContact OD1-N 2.94Å; D107-S169 VanDerWaalsContact OD2-CB 3.24Å; D107-S169 WeakPolarHBondContact OD2-CB 3.3Å; D107-S169 PolarHBondContact OD2-N 3.07Å; D107-S169 PolarHBondContact OD2-OG 3.41Å; Y113-S169 VanDerWaalsContact CE2-CA 3.45Å |
| 170 | S | 90.7 | Very high | 90.3 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.9 | -177.1 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | C168 | C168-S170 PolarHBondContact O-N 3.34Å; C168-S170 PolarHBondContact SG-OG 3.05Å |
| 171 | S | 91.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 55.2 Ų | 55.2 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | trans | -66.9 | 137.2 | -177.8 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | G167 C168 Y173 | G167-S171 WeakPolarHBondContact CA-OG 3.24Å; C168-S171 PolarHBondContact N-OG 3.4Å; C168-S171 WeakPolarHBondContact O-CB 3.44Å; C168-S171 PolarHBondContact O-N 3.09Å; C168-S171 VanDerWaalsContact O-N 3.13Å; C168-S171 PolarHBondContact O-OG 3.49Å; C168-S171 PolarHBondContact SG-OG 3.35Å; S171-Y173 PolarHBondContact O-N 3.25Å | ||
| 172 | S | 92 | Very high | 92.7 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | trans | -58.9 | 129.6 | 178.3 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | K174 V176 V177 | S172-K174 VanDerWaalsContact C-N 3.34Å; S172-K174 PolarHBondContact O-N 2.7Å; S172-V176 PolarHBondContact O-N 3.05Å; S172-V176 VanDerWaalsContact O-N 3.08Å; S172-V177 PolarHBondContact O-N 3.09Å | ||
| 173 | Y | 91.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -59.4 | -46.1 | 180 | -176.1 | -87.7 | 0 | 0 | 0 | 111.7 | S171 E175 V177 A178 V246 E249 | S171-Y173 PolarHBondContact O-N 3.25Å; Y173-E175 PolarHBondContact O-N 3.15Å; Y173-V177 HydrophobicContact CD2-CB 3.96Å; Y173-V177 HydrophobicContact CD2-CG1 3.87Å; Y173-V177 HydrophobicContact CE2-CB 4.46Å; Y173-V177 HydrophobicContact CE2-CG1 4.02Å; Y173-V177 HydrophobicContact CG-CB 4.39Å; Y173-V177 PolarHBondContact O-N 2.95Å; Y173-A178 HydrophobicContact CD1-CB 4.15Å; Y173-A178 HydrophobicContact CE1-CB 3.82Å; Y173-A178 VanDerWaalsContact O-CB 3.31Å; Y173-A178 WeakPolarHBondContact O-CB 3.49Å; Y173-A178 PolarHBondContact O-N 2.82Å; Y173-V246 HydrophobicContact CE2-CB 4.34Å; Y173-V246 HydrophobicContact CE2-CG2 4.04Å; Y173-E249 HydrophobicContact CD1-CB 4.27Å; Y173-E249 HydrophobicContact CD1-CG 3.67Å; Y173-E249 HydrophobicContact CD2-CB 3.75Å; Y173-E249 HydrophobicContact CD2-CG 4.06Å; Y173-E249 HydrophobicContact CE1-CB 4.34Å; Y173-E249 HydrophobicContact CE1-CG 3.61Å; Y173-E249 HydrophobicContact CE2-CB 3.8Å; Y173-E249 HydrophobicContact CE2-CG 3.99Å; Y173-E249 HydrophobicContact CG-CB 3.98Å; Y173-E249 HydrophobicContact CG-CG 3.9Å |
| 174 | K | 92.4 | Very high | 93.4 | Very high | 177 Ų | 177 | 52 Ų | 52 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | I | π-helix | trans | -69.6 | -35.1 | -173.4 | -172.6 | 178 | 178.7 | -176.6 | 0 | 113.1 | S172 P179 | S172-K174 VanDerWaalsContact C-N 3.34Å; S172-K174 PolarHBondContact O-N 2.7Å; K174-P179 WeakPolarHBondContact O-CD 3.43Å |
| 175 | E | 92.9 | Very high | 93.5 | Very high | 150 Ų | 150 | 54.3 Ų | 54.3 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | I | π-helix | trans | -94.5 | -34.3 | -171.2 | -64.4 | -179.8 | 171.2 | 0 | 0 | 113.3 | Y173 P179 | Y173-E175 PolarHBondContact O-N 3.15Å; E175-P179 WeakPolarHBondContact O-CG 3.48Å |
| 176 | V | 93.5 | Very high | 93.6 | Very high | 39 Ų | 39 | 55 Ų | 55 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -114.1 | -56.7 | -173.9 | -178 | 0 | 0 | 0 | 0 | 110.8 | S172 P179 F180 | S172-V176 PolarHBondContact O-N 3.05Å; S172-V176 VanDerWaalsContact O-N 3.08Å; V176-P179 WeakPolarHBondContact O-CD 3.46Å; V176-F180 WeakPolarHBondContact O-CB 3.46Å; V176-F180 PolarHBondContact O-N 3.26Å |
| 177 | V | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -69.4 | -45.4 | -169 | -172.3 | 0 | 0 | 0 | 0 | 112 | S172 Y173 F180 Y181 R245 V246 | S172-V177 PolarHBondContact O-N 3.09Å; Y173-V177 HydrophobicContact CD2-CB 3.96Å; Y173-V177 HydrophobicContact CD2-CG1 3.87Å; Y173-V177 HydrophobicContact CE2-CB 4.46Å; Y173-V177 HydrophobicContact CE2-CG1 4.02Å; Y173-V177 HydrophobicContact CG-CB 4.39Å; Y173-V177 PolarHBondContact O-N 2.95Å; V177-F180 WeakPolarHBondContact O-CB 3.39Å; V177-F180 PolarHBondContact O-N 3.12Å; V177-Y181 HydrophobicContact CG1-CD2 3.64Å; V177-Y181 HydrophobicContact CG1-CE2 3.45Å; V177-Y181 VanDerWaalsContact CG1-CE2 3.45Å; V177-Y181 WeakPolarHBondContact O-CD2 3.47Å; V177-Y181 PolarHBondContact O-N 3.41Å; V177-R245 HydrophobicContact CG2-CB 4.4Å; V177-V246 HydrophobicContact CG1-CG2 3.95Å |
| 178 | A | 93.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 58 Ų | 58 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -49.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y173 F180 Y181 L182 | Y173-A178 HydrophobicContact CD1-CB 4.15Å; Y173-A178 HydrophobicContact CE1-CB 3.82Å; Y173-A178 VanDerWaalsContact O-CB 3.31Å; Y173-A178 WeakPolarHBondContact O-CB 3.49Å; Y173-A178 PolarHBondContact O-N 2.82Å; A178-F180 VanDerWaalsContact C-N 3.26Å; A178-F180 PolarHBondContact O-N 3.21Å; A178-Y181 PolarHBondContact O-N 2.99Å; A178-L182 WeakPolarHBondContact O-CB 3.46Å; A178-L182 WeakPolarHBondContact O-CG 3.46Å; A178-L182 PolarHBondContact O-N 3.39Å |
| 179 | P | 95.5 | Very high | 93.7 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 173.8 | -27.8 | 38.7 | 0 | 0 | 0 | 113.5 | K174 E175 V176 F183 | K174-P179 WeakPolarHBondContact O-CD 3.43Å; E175-P179 WeakPolarHBondContact O-CG 3.48Å; V176-P179 WeakPolarHBondContact O-CD 3.46Å; P179-F183 WeakPolarHBondContact O-CB 3.36Å; P179-F183 PolarHBondContact O-N 3.12Å; P179-F183 VanDerWaalsContact O-N 3.14Å |
| 180 | F | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.1 | -60.4 | 173.3 | 174.1 | -88.2 | 0 | 0 | 0 | 111.2 | F120 P164 P165 F166 V176 V177 A178 L182 F183 W184 | F120-F180 HydrophobicContact CB-CE2 4.25Å; F120-F180 HydrophobicContact CB-CZ 4.37Å; F120-F180 HydrophobicContact CD1-CE2 4.47Å; F120-F180 AromaticContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD1-CZ 3.94Å; F120-F180 HydrophobicContact CD2-CE1 4.45Å; F120-F180 HydrophobicContact CD2-CE2 4.13Å; F120-F180 AromaticContact CD2-CZ 3.47Å; F120-F180 HydrophobicContact CD2-CZ 3.47Å; F120-F180 VanDerWaalsContact CD2-CZ 3.47Å; F120-F180 HydrophobicContact CE1-CZ 4.06Å; F120-F180 HydrophobicContact CE2-CE1 4.22Å; F120-F180 AromaticContact CE2-CZ 3.62Å; F120-F180 HydrophobicContact CE2-CZ 3.62Å; F120-F180 HydrophobicContact CG-CE2 4.04Å; F120-F180 AromaticContact CG-CZ 3.66Å; F120-F180 HydrophobicContact CG-CZ 3.66Å; F120-F180 HydrophobicContact CZ-CE1 4.41Å; F120-F180 AromaticContact CZ-CZ 3.91Å; F120-F180 HydrophobicContact CZ-CZ 3.91Å; P164-F180 HydrophobicContact CB-CB 4.48Å; P164-F180 WeakPolarHBondContact O-CD2 3.31Å; P165-F180 WeakPolarHBondContact O-CD2 3.4Å; F166-F180 HydrophobicContact CB-CD2 4.24Å; F166-F180 HydrophobicContact CB-CE2 3.92Å; F166-F180 HydrophobicContact CB-CZ 4.37Å; F166-F180 AromaticContact CD2-CD1 3.75Å; F166-F180 HydrophobicContact CD2-CD1 3.75Å; F166-F180 HydrophobicContact CD2-CD2 4.13Å; F166-F180 AromaticContact CD2-CE1 3.4Å; F166-F180 HydrophobicContact CD2-CE1 3.4Å; F166-F180 AromaticContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CE2 3.76Å; F166-F180 HydrophobicContact CD2-CG 4.14Å; F166-F180 AromaticContact CD2-CZ 3.42Å; F166-F180 HydrophobicContact CD2-CZ 3.42Å; F166-F180 VanDerWaalsContact CD2-CZ 3.42Å; F166-F180 HydrophobicContact CE2-CD1 4.15Å; F166-F180 AromaticContact CE2-CE1 3.73Å; F166-F180 HydrophobicContact CE2-CE1 3.73Å; F166-F180 HydrophobicContact CE2-CZ 4.12Å; F166-F180 HydrophobicContact CG-CE2 4.34Å; F166-F180 HydrophobicContact CG-CZ 4.32Å; V176-F180 WeakPolarHBondContact O-CB 3.46Å; V176-F180 PolarHBondContact O-N 3.26Å; V177-F180 WeakPolarHBondContact O-CB 3.39Å; V177-F180 PolarHBondContact O-N 3.12Å; A178-F180 VanDerWaalsContact C-N 3.26Å; A178-F180 PolarHBondContact O-N 3.21Å; F180-L182 VanDerWaalsContact C-N 3.33Å; F180-L182 PolarHBondContact O-N 3.15Å; F180-F183 PolarHBondContact O-N 3.02Å; F180-W184 AromaticContact CD2-CD1 3.46Å; F180-W184 VanDerWaalsContact CD2-CD1 3.46Å; F180-W184 AromaticContact CD2-NE1 3.56Å; F180-W184 AromaticContact CE1-CD1 3.88Å; F180-W184 HydrophobicContact CE1-CG 4.4Å; F180-W184 AromaticContact CE2-CD1 3.2Å; F180-W184 HydrophobicContact CE2-CG 4.19Å; F180-W184 AromaticContact CE2-NE1 3.11Å; F180-W184 AromaticContact CG-CD1 3.92Å; F180-W184 AromaticContact CZ-CD1 3.38Å; F180-W184 AromaticContact CZ-CG 4Å; F180-W184 HydrophobicContact CZ-CG 4Å; F180-W184 AromaticContact CZ-NE1 3.66Å; F180-W184 PolarHBondContact O-N 2.84Å; F180-W184 VanDerWaalsContact O-N 3.08Å |
| 181 | Y | 96.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | -177.1 | -76 | -65.9 | 0 | 0 | 0 | 112.4 | V177 A178 F183 W184 E185 V236 K240 D243 V246 | V177-Y181 HydrophobicContact CG1-CD2 3.64Å; V177-Y181 HydrophobicContact CG1-CE2 3.45Å; V177-Y181 VanDerWaalsContact CG1-CE2 3.45Å; V177-Y181 WeakPolarHBondContact O-CD2 3.47Å; V177-Y181 PolarHBondContact O-N 3.41Å; A178-Y181 PolarHBondContact O-N 2.99Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 2.8Å; Y181-W184 PolarHBondContact O-N 3.48Å; Y181-E185 VanDerWaalsContact O-CB 3.28Å; Y181-E185 WeakPolarHBondContact O-CB 3.5Å; Y181-E185 WeakPolarHBondContact O-CG 3.37Å; Y181-E185 PolarHBondContact O-N 3.09Å; Y181-V236 HydrophobicContact CD1-CG1 3.85Å; Y181-V236 HydrophobicContact CE1-CG1 4.34Å; Y181-K240 HydrophobicContact CD1-CB 3.92Å; Y181-K240 HydrophobicContact CD1-CD 4.18Å; Y181-K240 HydrophobicContact CD1-CG 4.09Å; Y181-K240 HydrophobicContact CE1-CB 3.58Å; Y181-K240 HydrophobicContact CE1-CG 4.08Å; Y181-K240 HydrophobicContact CG-CD 4.35Å; Y181-K240 HydrophobicContact CG-CG 4.39Å; Y181-D243 WeakPolarHBondContact OH-CB 3.36Å; Y181-D243 PolarHBondContact OH-OD2 3.33Å; Y181-V246 HydrophobicContact CD2-CG2 3.96Å; Y181-V246 HydrophobicContact CE2-CG2 3.35Å |
| 182 | L | 94.7 | Very high | 93.1 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 59% | 0.586 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.7 | -37.5 | 176.9 | -73.3 | 171.8 | 0 | 0 | 0 | 112.7 | A178 F180 I186 | A178-L182 WeakPolarHBondContact O-CB 3.46Å; A178-L182 WeakPolarHBondContact O-CG 3.46Å; A178-L182 PolarHBondContact O-N 3.39Å; F180-L182 VanDerWaalsContact C-N 3.33Å; F180-L182 PolarHBondContact O-N 3.15Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å |
| 183 | F | 95.2 | Very high | 93 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.2 | -45.5 | 176.4 | 175.2 | -90 | 0 | 0 | 0 | 112 | R161 Y163 P164 P179 F180 Y181 I186 F187 | R161-F183 HydrophobicContact CG-CE2 3.98Å; R161-F183 HydrophobicContact CG-CZ 4.22Å; Y163-F183 AromaticContact CD1-CE1 3.44Å; Y163-F183 HydrophobicContact CD1-CE1 3.44Å; Y163-F183 VanDerWaalsContact CD1-CE1 3.44Å; Y163-F183 AromaticContact CD1-CZ 3.48Å; Y163-F183 HydrophobicContact CD1-CZ 3.48Å; Y163-F183 VanDerWaalsContact CD1-CZ 3.48Å; Y163-F183 AromaticContact CE1-CE1 3.89Å; Y163-F183 HydrophobicContact CE1-CE1 3.89Å; Y163-F183 AromaticContact CE1-CZ 3.67Å; Y163-F183 HydrophobicContact CE1-CZ 3.67Å; Y163-F183 HydrophobicContact CG-CE1 4.25Å; Y163-F183 HydrophobicContact CG-CZ 4.07Å; P164-F183 VanDerWaalsContact CD-CG 3.5Å; P164-F183 HydrophobicContact CG-CB 3.55Å; P164-F183 HydrophobicContact CG-CD1 4Å; P164-F183 HydrophobicContact CG-CG 3.79Å; P179-F183 WeakPolarHBondContact O-CB 3.36Å; P179-F183 PolarHBondContact O-N 3.12Å; P179-F183 VanDerWaalsContact O-N 3.14Å; F180-F183 PolarHBondContact O-N 3.02Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 2.8Å; F183-I186 CarbonylContact O-C 3.59Å; F183-I186 WeakPolarHBondContact O-CG1 3.5Å; F183-I186 PolarHBondContact O-N 3.46Å; F183-F187 HydrophobicContact CE1-CD2 4.46Å; F183-F187 PolarHBondContact O-N 3.38Å |
| 184 | W | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79 | -25 | -172.4 | -76.3 | 103.7 | 0 | 0 | 0 | 113.5 | F120 I123 T124 Y163 F180 Y181 I186 F187 I232 V236 | F120-W184 HydrophobicContact CB-CZ2 4.09Å; F120-W184 AromaticContact CD1-CD2 3.82Å; F120-W184 HydrophobicContact CD1-CD2 3.82Å; F120-W184 AromaticContact CD1-CE2 3.79Å; F120-W184 AromaticContact CD1-CE3 3.86Å; F120-W184 HydrophobicContact CD1-CE3 3.86Å; F120-W184 HydrophobicContact CD1-CG 4.49Å; F120-W184 AromaticContact CD1-CH2 3.9Å; F120-W184 HydrophobicContact CD1-CH2 3.9Å; F120-W184 AromaticContact CD1-CZ2 3.85Å; F120-W184 HydrophobicContact CD1-CZ2 3.85Å; F120-W184 AromaticContact CD1-CZ3 3.91Å; F120-W184 HydrophobicContact CD1-CZ3 3.91Å; F120-W184 HydrophobicContact CE1-CD2 4.07Å; F120-W184 HydrophobicContact CE1-CE3 4Å; F120-W184 HydrophobicContact CE1-CG 4.47Å; F120-W184 HydrophobicContact CE1-CZ3 4.37Å; F120-W184 HydrophobicContact CG-CZ2 4.4Å; I123-W184 HydrophobicContact CB-CH2 4.06Å; I123-W184 HydrophobicContact CB-CZ3 4.38Å; I123-W184 HydrophobicContact CG2-CH2 3.72Å; I123-W184 HydrophobicContact CG2-CZ3 3.71Å; T124-W184 WeakPolarHBondContact OG1-CZ2 3.33Å; Y163-W184 HydrophobicContact CD1-CH2 4.42Å; Y163-W184 HydrophobicContact CD1-CZ2 4.21Å; F180-W184 AromaticContact CD2-CD1 3.46Å; F180-W184 VanDerWaalsContact CD2-CD1 3.46Å; F180-W184 AromaticContact CD2-NE1 3.56Å; F180-W184 AromaticContact CE1-CD1 3.88Å; F180-W184 HydrophobicContact CE1-CG 4.4Å; F180-W184 AromaticContact CE2-CD1 3.2Å; F180-W184 HydrophobicContact CE2-CG 4.19Å; F180-W184 AromaticContact CE2-NE1 3.11Å; F180-W184 AromaticContact CG-CD1 3.92Å; F180-W184 AromaticContact CZ-CD1 3.38Å; F180-W184 AromaticContact CZ-CG 4Å; F180-W184 HydrophobicContact CZ-CG 4Å; F180-W184 AromaticContact CZ-NE1 3.66Å; F180-W184 PolarHBondContact O-N 2.84Å; F180-W184 VanDerWaalsContact O-N 3.08Å; Y181-W184 PolarHBondContact O-N 3.48Å; W184-I186 VanDerWaalsContact C-N 3.28Å; W184-I186 PolarHBondContact O-N 2.89Å; W184-F187 HydrophobicContact CD2-CD2 4.45Å; W184-F187 HydrophobicContact CE3-CB 4.24Å; W184-F187 AromaticContact CE3-CD2 3.5Å; W184-F187 HydrophobicContact CE3-CD2 3.5Å; W184-F187 VanDerWaalsContact CE3-CD2 3.5Å; W184-F187 HydrophobicContact CE3-CE2 4.11Å; W184-F187 HydrophobicContact CE3-CG 4.03Å; W184-F187 HydrophobicContact CH2-CD2 4.31Å; W184-F187 HydrophobicContact CH2-CE2 4.14Å; W184-F187 AromaticContact CZ3-CD2 3.41Å; W184-F187 HydrophobicContact CZ3-CD2 3.41Å; W184-F187 VanDerWaalsContact CZ3-CD2 3.41Å; W184-F187 AromaticContact CZ3-CE2 3.51Å; W184-F187 HydrophobicContact CZ3-CE2 3.51Å; W184-F187 HydrophobicContact CZ3-CG 4.19Å; W184-F187 HydrophobicContact CZ3-CZ 4.37Å; W184-F187 WeakPolarHBondContact O-CB 3.47Å; W184-F187 PolarHBondContact O-N 3.29Å; W184-I232 HydrophobicContact CE3-CG2 3.83Å; W184-I232 HydrophobicContact CZ3-CG2 3.92Å; W184-V236 HydrophobicContact CB-CB 4.47Å; W184-V236 HydrophobicContact CB-CG1 3.98Å; W184-V236 HydrophobicContact CB-CG2 3.61Å; W184-V236 HydrophobicContact CG-CG2 4.44Å |
| 185 | E | 95.1 | Very high | 92.6 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -33 | 171.5 | -79.2 | 175.5 | -179.8 | 0 | 0 | 112.6 | Y181 V236 K240 | Y181-E185 VanDerWaalsContact O-CB 3.28Å; Y181-E185 WeakPolarHBondContact O-CB 3.5Å; Y181-E185 WeakPolarHBondContact O-CG 3.37Å; Y181-E185 PolarHBondContact O-N 3.09Å; E185-V236 HydrophobicContact CG-CG1 4.01Å; E185-K240 WeakPolarHBondContact OE1-CD 3.14Å; E185-K240 WeakPolarHBondContact OE1-CE 3.4Å; E185-K240 IonicContact OE1-NZ 3.28Å; E185-K240 PolarHBondContact OE1-NZ 3.09Å; E185-K240 IonicContact OE2-NZ 3.9Å |
| 186 | I | 94.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 46.1 Ų | 46.1 | 57% | 0.569 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 21.7 | 175.7 | 67.9 | 177.9 | 0 | 0 | 0 | 112.1 | L182 F183 W184 E188 | L182-I186 WeakPolarHBondContact O-CG1 3.25Å; F183-I186 CarbonylContact O-C 3.59Å; F183-I186 WeakPolarHBondContact O-CG1 3.5Å; F183-I186 PolarHBondContact O-N 3.46Å; W184-I186 VanDerWaalsContact C-N 3.28Å; W184-I186 PolarHBondContact O-N 2.89Å; I186-E188 PolarHBondContact O-N 3.39Å |
| 187 | F | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -55.4 | 137.6 | -176.3 | 177.9 | -89.9 | 0 | 0 | 0 | 111.6 | I123 E127 Y163 F183 W184 I232 R233 | I123-F187 HydrophobicContact CG2-CE2 4.46Å; I123-F187 HydrophobicContact CG2-CZ 4.32Å; E127-F187 HydrophobicContact CG-CE2 4.01Å; E127-F187 HydrophobicContact CG-CZ 3.69Å; Y163-F187 HydrophobicContact CE1-CE2 4.33Å; F183-F187 HydrophobicContact CE1-CD2 4.46Å; F183-F187 PolarHBondContact O-N 3.38Å; W184-F187 HydrophobicContact CD2-CD2 4.45Å; W184-F187 HydrophobicContact CE3-CB 4.24Å; W184-F187 AromaticContact CE3-CD2 3.5Å; W184-F187 HydrophobicContact CE3-CD2 3.5Å; W184-F187 VanDerWaalsContact CE3-CD2 3.5Å; W184-F187 HydrophobicContact CE3-CE2 4.11Å; W184-F187 HydrophobicContact CE3-CG 4.03Å; W184-F187 HydrophobicContact CH2-CD2 4.31Å; W184-F187 HydrophobicContact CH2-CE2 4.14Å; W184-F187 AromaticContact CZ3-CD2 3.41Å; W184-F187 HydrophobicContact CZ3-CD2 3.41Å; W184-F187 VanDerWaalsContact CZ3-CD2 3.41Å; W184-F187 AromaticContact CZ3-CE2 3.51Å; W184-F187 HydrophobicContact CZ3-CE2 3.51Å; W184-F187 HydrophobicContact CZ3-CG 4.19Å; W184-F187 HydrophobicContact CZ3-CZ 4.37Å; W184-F187 WeakPolarHBondContact O-CB 3.47Å; W184-F187 PolarHBondContact O-N 3.29Å; F187-I232 HydrophobicContact CB-CG2 4.14Å; F187-I232 HydrophobicContact CD1-CB 3.94Å; F187-I232 HydrophobicContact CD1-CD1 3.81Å; F187-I232 HydrophobicContact CD1-CG1 4.48Å; F187-I232 HydrophobicContact CD1-CG2 3.67Å; F187-I232 HydrophobicContact CD2-CG2 4.36Å; F187-I232 HydrophobicContact CE1-CB 4.26Å; F187-I232 HydrophobicContact CE1-CD1 3.21Å; F187-I232 HydrophobicContact CE1-CG1 4.31Å; F187-I232 HydrophobicContact CE1-CG2 4.17Å; F187-I232 HydrophobicContact CG-CG2 3.78Å; F187-I232 HydrophobicContact CZ-CD1 3.64Å; F187-R233 PolarHBondContact O-NE 3.24Å; F187-R233 PolarHBondContact O-NH2 3.07Å | ||
| 188 | E | 92.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | trans | -140.4 | 119.8 | 174.9 | -71.3 | 179.8 | 173.5 | 0 | 0 | 108.4 | R161 I186 | R161-E188 PolarHBondContact NH1-O 3.06Å; I186-E188 PolarHBondContact O-N 3.39Å | ||
| 189 | T | 92 | Very high | 92.2 | Very high | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | trans | -62.5 | 143.6 | 175.5 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | E127 K191 Y193 I225 N229 | E127-T189 VanDerWaalsContact OE1-CB 3.23Å; E127-T189 WeakPolarHBondContact OE1-CB 3.17Å; E127-T189 PolarHBondContact OE1-OG1 3.14Å; E127-T189 VanDerWaalsContact OE2-CA 3.26Å; E127-T189 WeakPolarHBondContact OE2-CA 3.27Å; E127-T189 PolarHBondContact OE2-OG1 3.02Å; T189-K191 WeakPolarHBondContact OG1-CB 3.34Å; T189-K191 PolarHBondContact OG1-N 3.19Å; T189-K191 VanDerWaalsContact OG1-N 3.16Å; T189-Y193 HydrophobicContact CG2-CE2 3.73Å; T189-I225 HydrophobicContact CG2-CB 4.45Å; T189-I225 HydrophobicContact CG2-CG1 4.36Å; T189-I225 HydrophobicContact CG2-CG2 3.94Å; T189-N229 VanDerWaalsContact CG2-OD1 3.28Å; T189-N229 WeakPolarHBondContact CG2-OD1 3.32Å; T189-N229 PolarHBondContact N-OD1 3.23Å | ||
| 190 | K | 86.5 | Confident | 92 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | trans | -95.5 | -1.2 | 170.9 | -64.2 | -54.8 | -176.3 | -164.3 | 0 | 112.8 | E127 T192 | E127-K190 PolarHBondContact OE2-N 3.08Å; K190-T192 PolarHBondContact O-N 3.32Å | ||
| 191 | K | 87.6 | Confident | 91.7 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | trans | -59.9 | 135.5 | 172.1 | -76 | -179.8 | 161 | -172.4 | 0 | 110.6 | E88 E126 A130 T189 Y193 W195 | E88-K191 IonicContact OE1-NZ 2.81Å; E88-K191 PolarHBondContact OE1-NZ 2.93Å; E126-K191 VanDerWaalsContact CG-CE 3.49Å; E126-K191 VanDerWaalsContact OE1-CE 3.28Å; E126-K191 WeakPolarHBondContact OE1-CE 3.23Å; E126-K191 IonicContact OE1-NZ 3.72Å; E126-K191 PolarHBondContact OE1-NZ 3.22Å; A130-K191 HydrophobicContact CB-CB 4.37Å; A130-K191 HydrophobicContact CB-CG 3.41Å; A130-K191 VanDerWaalsContact CB-CG 3.41Å; T189-K191 WeakPolarHBondContact OG1-CB 3.34Å; T189-K191 PolarHBondContact OG1-N 3.19Å; T189-K191 VanDerWaalsContact OG1-N 3.16Å; K191-Y193 HydrophobicContact CB-CD2 3.75Å; K191-Y193 HydrophobicContact CB-CE2 3.42Å; K191-Y193 VanDerWaalsContact CB-CE2 3.42Å; K191-Y193 HydrophobicContact CD-CE2 4.34Å; K191-Y193 WeakPolarHBondContact O-CD2 3.26Å; K191-W195 HydrophobicContact CB-CH2 4.06Å; K191-W195 HydrophobicContact CD-CH2 4.22Å; K191-W195 HydrophobicContact CD-CZ2 4.39Å; K191-W195 HydrophobicContact CG-CH2 4.22Å | ||
| 192 | T | 86.9 | Confident | 91.4 | Very high | 45 Ų | 45 | 70.7 Ų | 70.7 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | trans | -78.9 | -23.6 | -178.1 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | K190 T194 R221 | K190-T192 PolarHBondContact O-N 3.32Å; T192-T194 PolarHBondContact O-N 3.37Å; T192-T194 PolarHBondContact OG1-OG1 3.35Å; T192-R221 VanDerWaalsContact O-CD 3.3Å; T192-R221 WeakPolarHBondContact O-CD 3.43Å | ||
| 193 | Y | 89.9 | Confident | 91.2 | Very high | 7 Ų | 7 | 71.7 Ų | 71.7 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | trans | 54.8 | 25.3 | -175.2 | -72 | -87.9 | 0 | 0 | 0 | 114.2 | T189 K191 W195 V196 R221 A224 I225 R228 | T189-Y193 HydrophobicContact CG2-CE2 3.73Å; K191-Y193 HydrophobicContact CB-CD2 3.75Å; K191-Y193 HydrophobicContact CB-CE2 3.42Å; K191-Y193 VanDerWaalsContact CB-CE2 3.42Å; K191-Y193 HydrophobicContact CD-CE2 4.34Å; K191-Y193 WeakPolarHBondContact O-CD2 3.26Å; Y193-W195 AromaticContact CD1-CZ2 3.79Å; Y193-W195 HydrophobicContact CD1-CZ2 3.79Å; Y193-W195 HydrophobicContact CE1-CZ2 4.04Å; Y193-W195 HydrophobicContact CG-CZ2 4.18Å; Y193-W195 PolarHBondContact O-N 3.33Å; Y193-V196 HydrophobicContact CD1-CG2 3.9Å; Y193-V196 WeakPolarHBondContact O-CB 3.43Å; Y193-V196 PolarHBondContact O-N 2.8Å; Y193-R221 WeakPolarHBondContact O-CG 3.21Å; Y193-A224 HydrophobicContact CD1-CB 3.56Å; Y193-A224 HydrophobicContact CE1-CB 4.11Å; Y193-A224 HydrophobicContact CG-CB 3.94Å; Y193-I225 HydrophobicContact CD2-CB 4.35Å; Y193-I225 HydrophobicContact CD2-CD1 4.16Å; Y193-I225 HydrophobicContact CD2-CG1 3.23Å; Y193-I225 HydrophobicContact CE2-CG1 3.75Å; Y193-I225 HydrophobicContact CG-CG1 4.02Å; Y193-R228 WeakPolarHBondContact OH-CB 3.43Å; Y193-R228 WeakPolarHBondContact OH-CG 3.2Å | ||
| 194 | T | 89.4 | Confident | 91 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -62.2 | -23.5 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | T192 V196 E197 | T192-T194 PolarHBondContact O-N 3.37Å; T192-T194 PolarHBondContact OG1-OG1 3.35Å; T194-V196 PolarHBondContact O-N 3.34Å; T194-E197 VanDerWaalsContact O-CB 3.31Å; T194-E197 WeakPolarHBondContact O-CB 3.37Å; T194-E197 WeakPolarHBondContact O-CG 3.47Å; T194-E197 PolarHBondContact O-N 2.88Å |
| 195 | W | 87.7 | Confident | 90.8 | Very high | 123 Ų | 123 | 79 Ų | 79 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -71.6 | -14 | 173.9 | 55.9 | 91.7 | 0 | 0 | 0 | 114.3 | E88 K191 Y193 | E88-W195 HydrophobicContact CG-CZ2 4.41Å; E88-W195 VanDerWaalsContact OE1-CZ2 3.26Å; E88-W195 WeakPolarHBondContact OE1-CZ2 3.42Å; E88-W195 PolarHBondContact OE2-NE1 2.8Å; K191-W195 HydrophobicContact CB-CH2 4.06Å; K191-W195 HydrophobicContact CD-CH2 4.22Å; K191-W195 HydrophobicContact CD-CZ2 4.39Å; K191-W195 HydrophobicContact CG-CH2 4.22Å; Y193-W195 AromaticContact CD1-CZ2 3.79Å; Y193-W195 HydrophobicContact CD1-CZ2 3.79Å; Y193-W195 HydrophobicContact CE1-CZ2 4.04Å; Y193-W195 HydrophobicContact CG-CZ2 4.18Å; Y193-W195 PolarHBondContact O-N 3.33Å |
| 196 | V | 90.4 | Very high | 90.8 | Very high | 56 Ų | 56 | 78.1 Ų | 78.1 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -83.5 | -5.5 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | Y193 T194 K198 M220 A224 | Y193-V196 HydrophobicContact CD1-CG2 3.9Å; Y193-V196 WeakPolarHBondContact O-CB 3.43Å; Y193-V196 PolarHBondContact O-N 2.8Å; T194-V196 PolarHBondContact O-N 3.34Å; V196-K198 PolarHBondContact O-N 3.46Å; V196-M220 HydrophobicContact CG1-CB 4.38Å; V196-A224 HydrophobicContact CG1-CB 4.28Å; V196-A224 HydrophobicContact CG2-CB 4.08Å |
| 197 | E | 91.3 | Very high | 90.7 | Very high | 69 Ų | 69 | 79.7 Ų | 79.7 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | trans | -66.1 | 127 | 179.5 | -65.7 | -174.6 | 169.8 | 0 | 0 | 111 | T194 N217 R221 | T194-E197 VanDerWaalsContact O-CB 3.31Å; T194-E197 WeakPolarHBondContact O-CB 3.37Å; T194-E197 WeakPolarHBondContact O-CG 3.47Å; T194-E197 PolarHBondContact O-N 2.88Å; E197-N217 HydrophobicContact CB-CB 4.23Å; E197-N217 HydrophobicContact CG-CB 3.8Å; E197-R221 HydrophobicContact CG-CG 4Å; E197-R221 WeakPolarHBondContact OE1-CD 3.32Å; E197-R221 IonicContact OE1-CZ 2.89Å; E197-R221 IonicContact OE1-NE 2.67Å; E197-R221 PolarHBondContact OE1-NE 2.86Å; E197-R221 IonicContact OE1-NH2 2.89Å | ||
| 198 | K | 91.9 | Very high | 90.7 | Very high | 148 Ų | 148 | 87.2 Ų | 87.2 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | trans | -85.9 | -30.1 | -179.5 | -174.5 | -176.6 | 172.3 | -169.2 | 0 | 112.4 | V196 N217 M220 | V196-K198 PolarHBondContact O-N 3.46Å; K198-N217 PolarHBondContact N-OD1 3.44Å; K198-M220 HydrophobicContact CB-CE 3.48Å; K198-M220 VanDerWaalsContact CB-CE 3.48Å; K198-M220 HydrophobicContact CB-SD 3.65Å | ||
| 199 | Y | 91.6 | Very high | 90.8 | Very high | 91 Ų | 91 | 86.4 Ų | 86.4 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -111.1 | 126.5 | -172.2 | -61 | -76.7 | 0 | 0 | 0 | 110.3 | T201 M213 E216 N217 M220 | Y199-T201 PolarHBondContact O-N 3.17Å; Y199-M213 HydrophobicContact CD1-CG 4.32Å; Y199-M213 HydrophobicContact CD1-SD 4.13Å; Y199-M213 HydrophobicContact CG-CB 4.39Å; Y199-M213 HydrophobicContact CG-CG 4.08Å; Y199-M213 HydrophobicContact CG-SD 4.2Å; Y199-E216 HydrophobicContact CD2-CB 4.33Å; Y199-E216 HydrophobicContact CD2-CG 4.22Å; Y199-E216 HydrophobicContact CE2-CB 4.24Å; Y199-E216 HydrophobicContact CE2-CG 3.74Å; Y199-N217 PolarHBondContact N-OD1 3.2Å; Y199-N217 PolarHBondContact O-ND2 3.13Å; Y199-M220 HydrophobicContact CD2-CE 4.2Å; Y199-M220 HydrophobicContact CE2-CE 4.47Å |
| 200 | D | 91.7 | Very high | 90.9 | Very high | 73 Ų | 73 | 91.3 Ų | 91.3 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | trans | -76.9 | 110 | 165.3 | -172.9 | -8.5 | 0 | 0 | 0 | 109 | R202 L203 | D200-R202 PolarHBondContact O-N 2.94Å; D200-R202 VanDerWaalsContact OD1-CB 3.29Å; D200-R202 WeakPolarHBondContact OD1-CB 3.01Å; D200-R202 WeakPolarHBondContact OD1-CD 3.39Å; D200-R202 VanDerWaalsContact OD1-CG 3.25Å; D200-R202 WeakPolarHBondContact OD1-CG 3.29Å; D200-R202 PolarHBondContact OD1-N 3.37Å; D200-L203 HydrophobicContact CB-CD1 4.06Å; D200-L203 HydrophobicContact CB-CG 4.11Å; D200-L203 PolarHBondContact O-N 3.38Å | ||
| 201 | T | 89.4 | Confident | 91.3 | Very high | 41 Ų | 41 | 93.4 Ų | 93.4 | 25% | 0.252 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -59.4 | -15.8 | 179.6 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | Y199 L203 M213 E214 | Y199-T201 PolarHBondContact O-N 3.17Å; T201-L203 VanDerWaalsContact C-N 3.33Å; T201-M213 HydrophobicContact CG2-CB 4.48Å; T201-E214 HydrophobicContact CG2-CB 4.48Å; T201-E214 HydrophobicContact CG2-CG 3.58Å |
| 202 | R | 90.5 | Very high | 91.6 | Very high | 214 Ų | 214 | 95.5 Ų | 95.5 | 81% | 0.808 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -74.9 | -21.2 | 176.5 | -59.7 | 167.3 | -174.6 | 171 | 1.9 | 113.1 | D200 A204 | D200-R202 PolarHBondContact O-N 2.94Å; D200-R202 VanDerWaalsContact OD1-CB 3.29Å; D200-R202 WeakPolarHBondContact OD1-CB 3.01Å; D200-R202 WeakPolarHBondContact OD1-CD 3.39Å; D200-R202 VanDerWaalsContact OD1-CG 3.25Å; D200-R202 WeakPolarHBondContact OD1-CG 3.29Å; D200-R202 PolarHBondContact OD1-N 3.37Å; R202-A204 VanDerWaalsContact C-N 3.29Å; R202-A204 PolarHBondContact O-N 3Å |
| 203 | L | 91.5 | Very high | 92 | Very high | 133 Ų | 133 | 94.3 Ų | 94.3 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -87 | 7.7 | -179.3 | -59.7 | 177.9 | 0 | 0 | 0 | 113.3 | D200 T201 | D200-L203 HydrophobicContact CB-CD1 4.06Å; D200-L203 HydrophobicContact CB-CG 4.11Å; D200-L203 PolarHBondContact O-N 3.38Å; T201-L203 VanDerWaalsContact C-N 3.33Å |
| 204 | A | 90.8 | Very high | 92.2 | Very high | 27 Ų | 27 | 98.3 Ų | 98.3 | 22% | 0.223 | 47% | 0.466 | C | S | . | . | trans | -73.5 | 131.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R202 E209 R210 M213 | R202-A204 VanDerWaalsContact C-N 3.29Å; R202-A204 PolarHBondContact O-N 3Å; A204-E209 HydrophobicContact CB-CB 4.48Å; A204-R210 HydrophobicContact CB-CB 3.56Å; A204-R210 HydrophobicContact CB-CG 4.22Å; A204-M213 VanDerWaalsContact CA-CE 3.42Å; A204-M213 HydrophobicContact CB-CE 3.13Å | ||
| 205 | D | 92 | Very high | 92.5 | Very high | 159 Ų | 159 | 98.2 Ų | 98.2 | 85% | 0.85 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -78.9 | -35 | 174.1 | -69.9 | -29 | 0 | 0 | 0 | 111.5 | E209 | D205-E209 PolarHBondContact N-OE2 3.04Š|
| 206 | S | 94.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 96 Ų | 96 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -121.7 | 151 | -176.2 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | Q208 E209 R210 | S206-Q208 PolarHBondContact O-N 3.1Å; S206-Q208 PolarHBondContact OG-N 3.23Å; S206-E209 PolarHBondContact N-OE2 2.6Å; S206-E209 WeakPolarHBondContact O-CB 3.28Å; S206-E209 PolarHBondContact O-N 3.29Å; S206-E209 VanDerWaalsContact O-N 3.08Å; S206-R210 PolarHBondContact O-N 2.88Å |
| 207 | R | 93.6 | Very high | 93.1 | Very high | 145 Ų | 145 | 93.4 Ų | 93.4 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.8 | -33 | 172.2 | -177.6 | 176.2 | -177.6 | -88.6 | 9.3 | 112.8 | R211 | R207-R211 VanDerWaalsContact CZ-NH2 3.34Å; R207-R211 VanDerWaalsContact NH1-NH1 3.18Å; R207-R211 WeakPolarHBondContact O-CG 3.22Å; R207-R211 PolarHBondContact O-N 3.4Å |
| 208 | Q | 93.1 | Very high | 93.2 | Very high | 157 Ų | 157 | 93.5 Ų | 93.5 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.2 | -42.5 | 176.5 | -68.7 | -177.5 | 0.5 | 0 | 0 | 110.8 | S206 R211 A212 | S206-Q208 PolarHBondContact O-N 3.1Å; S206-Q208 PolarHBondContact OG-N 3.23Å; Q208-R211 PolarHBondContact O-N 3.24Å; Q208-A212 PolarHBondContact O-N 2.75Å |
| 209 | E | 94 | Very high | 93.4 | Very high | 82 Ų | 82 | 94.5 Ų | 94.5 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 177 | -170 | -177.1 | -167.6 | 0 | 0 | 111.4 | A204 D205 S206 R211 A212 M213 | A204-E209 HydrophobicContact CB-CB 4.48Å; D205-E209 PolarHBondContact N-OE2 3.04Å; S206-E209 PolarHBondContact N-OE2 2.6Å; S206-E209 WeakPolarHBondContact O-CB 3.28Å; S206-E209 PolarHBondContact O-N 3.29Å; S206-E209 VanDerWaalsContact O-N 3.08Å; E209-R211 VanDerWaalsContact C-N 3.28Å; E209-R211 PolarHBondContact O-N 3.44Å; E209-A212 WeakPolarHBondContact O-CB 3.13Å; E209-A212 PolarHBondContact O-N 2.96Å; E209-M213 HydrophobicContact CG-CE 4.17Å; E209-M213 WeakPolarHBondContact O-CG 3.12Å; E209-M213 PolarHBondContact O-N 3.21Å |
| 210 | R | 94.9 | Very high | 93.5 | Very high | 114 Ų | 114 | 91.9 Ų | 91.9 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 175.3 | -170.6 | 174.8 | 60.6 | -163.9 | -4.4 | 111.9 | A204 S206 M213 E214 | A204-R210 HydrophobicContact CB-CB 3.56Å; A204-R210 HydrophobicContact CB-CG 4.22Å; S206-R210 PolarHBondContact O-N 2.88Å; R210-M213 PolarHBondContact O-N 3.21Å; R210-E214 HydrophobicContact CG-CG 4.45Å; R210-E214 WeakPolarHBondContact CG-OE1 3.36Å; R210-E214 IonicContact NE-OE1 3.58Å; R210-E214 WeakPolarHBondContact O-CB 3.47Å; R210-E214 VanDerWaalsContact O-CG 3.27Å; R210-E214 WeakPolarHBondContact O-CG 3.14Å; R210-E214 PolarHBondContact O-N 2.91Å |
| 211 | R | 94.8 | Very high | 93.6 | Very high | 137 Ų | 137 | 91.5 Ų | 91.5 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.6 | -77.1 | 174.4 | 165 | -156.2 | -14.1 | 112.5 | R207 Q208 E209 A215 | R207-R211 VanDerWaalsContact CZ-NH2 3.34Å; R207-R211 VanDerWaalsContact NH1-NH1 3.18Å; R207-R211 WeakPolarHBondContact O-CG 3.22Å; R207-R211 PolarHBondContact O-N 3.4Å; Q208-R211 PolarHBondContact O-N 3.24Å; E209-R211 VanDerWaalsContact C-N 3.28Å; E209-R211 PolarHBondContact O-N 3.44Å; R211-A215 VanDerWaalsContact O-CB 3.23Å; R211-A215 WeakPolarHBondContact O-CB 3.35Å; R211-A215 PolarHBondContact O-N 3.27Å |
| 212 | A | 94.9 | Very high | 93.8 | Very high | 62 Ų | 62 | 93.1 Ų | 93.1 | 51% | 0.512 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q208 E209 A215 E216 | Q208-A212 PolarHBondContact O-N 2.75Å; E209-A212 WeakPolarHBondContact O-CB 3.13Å; E209-A212 PolarHBondContact O-N 2.96Å; A212-A215 PolarHBondContact O-N 3.19Å; A212-E216 PolarHBondContact O-N 2.85Å |
| 213 | M | 94.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 84.8 Ų | 84.8 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175 | -69.8 | -164 | -68.7 | 0 | 0 | 112.2 | Y199 T201 A204 E209 R210 A215 E216 N217 | Y199-M213 HydrophobicContact CD1-CG 4.32Å; Y199-M213 HydrophobicContact CD1-SD 4.13Å; Y199-M213 HydrophobicContact CG-CB 4.39Å; Y199-M213 HydrophobicContact CG-CG 4.08Å; Y199-M213 HydrophobicContact CG-SD 4.2Å; T201-M213 HydrophobicContact CG2-CB 4.48Å; A204-M213 VanDerWaalsContact CA-CE 3.42Å; A204-M213 HydrophobicContact CB-CE 3.13Å; E209-M213 HydrophobicContact CG-CE 4.17Å; E209-M213 WeakPolarHBondContact O-CG 3.12Å; E209-M213 PolarHBondContact O-N 3.21Å; R210-M213 PolarHBondContact O-N 3.21Å; M213-A215 VanDerWaalsContact C-N 3.32Å; M213-A215 PolarHBondContact O-N 3.45Å; M213-E216 PolarHBondContact O-N 2.98Å; M213-N217 WeakPolarHBondContact O-CB 3.29Å; M213-N217 PolarHBondContact O-N 3.25Å |
| 214 | E | 94.6 | Very high | 94.1 | Very high | 90 Ų | 90 | 79.3 Ų | 79.3 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 174.6 | -77.2 | 169.6 | -170.8 | 0 | 0 | 111.9 | T201 R210 N218 | T201-E214 HydrophobicContact CG2-CB 4.48Å; T201-E214 HydrophobicContact CG2-CG 3.58Å; R210-E214 HydrophobicContact CG-CG 4.45Å; R210-E214 WeakPolarHBondContact CG-OE1 3.36Å; R210-E214 IonicContact NE-OE1 3.58Å; R210-E214 WeakPolarHBondContact O-CB 3.47Å; R210-E214 VanDerWaalsContact O-CG 3.27Å; R210-E214 WeakPolarHBondContact O-CG 3.14Å; R210-E214 PolarHBondContact O-N 2.91Å; E214-N218 VanDerWaalsContact O-CB 3.24Å; E214-N218 WeakPolarHBondContact O-CB 3.41Å; E214-N218 PolarHBondContact O-N 3.11Å |
| 215 | A | 94.8 | Very high | 94.2 | Very high | 61 Ų | 61 | 79.4 Ų | 79.4 | 50% | 0.504 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R211 A212 M213 N218 R219 | R211-A215 VanDerWaalsContact O-CB 3.23Å; R211-A215 WeakPolarHBondContact O-CB 3.35Å; R211-A215 PolarHBondContact O-N 3.27Å; A212-A215 PolarHBondContact O-N 3.19Å; M213-A215 VanDerWaalsContact C-N 3.32Å; M213-A215 PolarHBondContact O-N 3.45Å; A215-N218 PolarHBondContact O-N 3.37Å; A215-R219 WeakPolarHBondContact O-CB 3.38Å; A215-R219 PolarHBondContact O-N 3.12Å |
| 216 | E | 94.5 | Very high | 94.4 | Very high | 76 Ų | 76 | 79.6 Ų | 79.6 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 177.1 | -170.7 | 53.1 | -147.1 | 0 | 0 | 111.4 | Y199 A212 M213 N218 R219 M220 | Y199-E216 HydrophobicContact CD2-CB 4.33Å; Y199-E216 HydrophobicContact CD2-CG 4.22Å; Y199-E216 HydrophobicContact CE2-CB 4.24Å; Y199-E216 HydrophobicContact CE2-CG 3.74Å; A212-E216 PolarHBondContact O-N 2.85Å; M213-E216 PolarHBondContact O-N 2.98Å; E216-N218 VanDerWaalsContact C-N 3.32Å; E216-N218 PolarHBondContact O-N 3.28Å; E216-R219 WeakPolarHBondContact O-CA 3.37Å; E216-R219 VanDerWaalsContact O-CB 3.32Å; E216-R219 WeakPolarHBondContact O-CB 3.28Å; E216-R219 PolarHBondContact O-N 3.09Å; E216-R219 VanDerWaalsContact O-N 3.08Å; E216-M220 HydrophobicContact CG-CE 4.06Å; E216-M220 WeakPolarHBondContact O-CE 3.48Å; E216-M220 WeakPolarHBondContact O-CG 3.24Å; E216-M220 PolarHBondContact O-N 2.86Å |
| 217 | N | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.011 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.8 | -47.1 | 171.8 | -79.5 | -1.6 | 0 | 0 | 0 | 111.6 | E197 K198 Y199 M213 R219 M220 R221 | E197-N217 HydrophobicContact CB-CB 4.23Å; E197-N217 HydrophobicContact CG-CB 3.8Å; K198-N217 PolarHBondContact N-OD1 3.44Å; Y199-N217 PolarHBondContact N-OD1 3.2Å; Y199-N217 PolarHBondContact O-ND2 3.13Å; M213-N217 WeakPolarHBondContact O-CB 3.29Å; M213-N217 PolarHBondContact O-N 3.25Å; N217-R219 VanDerWaalsContact C-N 3.31Å; N217-R219 PolarHBondContact O-N 3.02Å; N217-M220 HydrophobicContact CB-CE 4.45Å; N217-M220 PolarHBondContact O-N 2.86Å; N217-M220 WeakPolarHBondContact OD1-CE 3.17Å; N217-R221 WeakPolarHBondContact O-CG 3.28Å; N217-R221 PolarHBondContact O-N 3.36Å |
| 218 | N | 94.8 | Very high | 94.3 | Very high | 71 Ų | 71 | 76.2 Ų | 76.2 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.9 | -172.5 | 52.7 | 0 | 0 | 0 | 111.7 | E214 A215 E216 M220 R221 M222 | E214-N218 VanDerWaalsContact O-CB 3.24Å; E214-N218 WeakPolarHBondContact O-CB 3.41Å; E214-N218 PolarHBondContact O-N 3.11Å; A215-N218 PolarHBondContact O-N 3.37Å; E216-N218 VanDerWaalsContact C-N 3.32Å; E216-N218 PolarHBondContact O-N 3.28Å; N218-M220 VanDerWaalsContact C-N 3.35Å; N218-M220 PolarHBondContact O-N 3.06Å; N218-R221 PolarHBondContact O-N 3.42Å; N218-M222 WeakPolarHBondContact O-CB 3.34Å; N218-M222 VanDerWaalsContact O-CG 3.23Å; N218-M222 WeakPolarHBondContact O-CG 3.43Å; N218-M222 PolarHBondContact O-N 3.26Å |
| 219 | R | 95.8 | Very high | 94.3 | Very high | 170 Ų | 170 | 69.5 Ų | 69.5 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 174.1 | -175.5 | -173 | 178.2 | 116.1 | -0.5 | 111.5 | A215 E216 N217 S223 | A215-R219 WeakPolarHBondContact O-CB 3.38Å; A215-R219 PolarHBondContact O-N 3.12Å; E216-R219 WeakPolarHBondContact O-CA 3.37Å; E216-R219 VanDerWaalsContact O-CB 3.32Å; E216-R219 WeakPolarHBondContact O-CB 3.28Å; E216-R219 PolarHBondContact O-N 3.09Å; E216-R219 VanDerWaalsContact O-N 3.08Å; N217-R219 VanDerWaalsContact C-N 3.31Å; N217-R219 PolarHBondContact O-N 3.02Å; R219-S223 VanDerWaalsContact O-CB 3.27Å; R219-S223 WeakPolarHBondContact O-CB 3.35Å; R219-S223 PolarHBondContact O-N 3.37Å |
| 220 | M | 93.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 70 Ų | 70 | 18% | 0.177 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 177 | -72 | -178.5 | -68.3 | 0 | 0 | 111.6 | V196 K198 Y199 E216 N217 N218 M222 S223 A224 | V196-M220 HydrophobicContact CG1-CB 4.38Å; K198-M220 HydrophobicContact CB-CE 3.48Å; K198-M220 VanDerWaalsContact CB-CE 3.48Å; K198-M220 HydrophobicContact CB-SD 3.65Å; Y199-M220 HydrophobicContact CD2-CE 4.2Å; Y199-M220 HydrophobicContact CE2-CE 4.47Å; E216-M220 HydrophobicContact CG-CE 4.06Å; E216-M220 WeakPolarHBondContact O-CE 3.48Å; E216-M220 WeakPolarHBondContact O-CG 3.24Å; E216-M220 PolarHBondContact O-N 2.86Å; N217-M220 HydrophobicContact CB-CE 4.45Å; N217-M220 PolarHBondContact O-N 2.86Å; N217-M220 WeakPolarHBondContact OD1-CE 3.17Å; N218-M220 VanDerWaalsContact C-N 3.35Å; N218-M220 PolarHBondContact O-N 3.06Å; M220-M222 PolarHBondContact O-N 3.28Å; M220-S223 WeakPolarHBondContact O-CB 3.2Å; M220-S223 PolarHBondContact O-N 2.68Å; M220-A224 PolarHBondContact O-N 3.34Å |
| 221 | R | 93.7 | Very high | 94.2 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.3 | -51 | 174.7 | -70.6 | -160.9 | -78.1 | 135.6 | 0.8 | 112.3 | T192 Y193 E197 N217 N218 S223 A224 I225 | T192-R221 VanDerWaalsContact O-CD 3.3Å; T192-R221 WeakPolarHBondContact O-CD 3.43Å; Y193-R221 WeakPolarHBondContact O-CG 3.21Å; E197-R221 HydrophobicContact CG-CG 4Å; E197-R221 WeakPolarHBondContact OE1-CD 3.32Å; E197-R221 IonicContact OE1-CZ 2.89Å; E197-R221 IonicContact OE1-NE 2.67Å; E197-R221 PolarHBondContact OE1-NE 2.86Å; E197-R221 IonicContact OE1-NH2 2.89Å; N217-R221 WeakPolarHBondContact O-CG 3.28Å; N217-R221 PolarHBondContact O-N 3.36Å; N218-R221 PolarHBondContact O-N 3.42Å; R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.34Å; R221-A224 PolarHBondContact O-N 3.47Å; R221-I225 WeakPolarHBondContact O-CB 3.39Å; R221-I225 VanDerWaalsContact O-CG1 3.31Å; R221-I225 WeakPolarHBondContact O-CG1 3.3Å; R221-I225 PolarHBondContact O-N 3.44Å |
| 222 | M | 94.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.7 | -30.5 | 179.1 | -66.5 | -53.7 | 111.2 | 0 | 0 | 112.4 | N218 M220 I225 R226 | N218-M222 WeakPolarHBondContact O-CB 3.34Å; N218-M222 VanDerWaalsContact O-CG 3.23Å; N218-M222 WeakPolarHBondContact O-CG 3.43Å; N218-M222 PolarHBondContact O-N 3.26Å; M220-M222 PolarHBondContact O-N 3.28Å; M222-I225 HydrophobicContact CE-CD1 3.54Å; M222-I225 HydrophobicContact SD-CD1 4.24Å; M222-R226 WeakPolarHBondContact O-CB 3Å; M222-R226 WeakPolarHBondContact O-CG 3.24Å; M222-R226 PolarHBondContact O-N 3.08Å; M222-R226 VanDerWaalsContact O-N 3.08Å; M222-R226 PolarHBondContact O-NE 2.88Å |
| 223 | S | 95.3 | Very high | 94.2 | Very high | 40 Ų | 40 | 60 Ų | 60 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 172 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | R219 M220 R221 R226 K227 | R219-S223 VanDerWaalsContact O-CB 3.27Å; R219-S223 WeakPolarHBondContact O-CB 3.35Å; R219-S223 PolarHBondContact O-N 3.37Å; M220-S223 WeakPolarHBondContact O-CB 3.2Å; M220-S223 PolarHBondContact O-N 2.68Å; R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.34Å; S223-R226 PolarHBondContact O-N 3.07Å; S223-K227 WeakPolarHBondContact O-CG 3.17Å; S223-K227 PolarHBondContact O-N 2.97Å |
| 224 | A | 93.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y193 V196 M220 R221 R226 K227 R228 | Y193-A224 HydrophobicContact CD1-CB 3.56Å; Y193-A224 HydrophobicContact CE1-CB 4.11Å; Y193-A224 HydrophobicContact CG-CB 3.94Å; V196-A224 HydrophobicContact CG1-CB 4.28Å; V196-A224 HydrophobicContact CG2-CB 4.08Å; M220-A224 PolarHBondContact O-N 3.34Å; R221-A224 PolarHBondContact O-N 3.47Å; A224-R226 PolarHBondContact O-N 2.96Å; A224-K227 PolarHBondContact O-N 3.49Å; A224-R228 PolarHBondContact O-N 3.36Å |
| 225 | I | 93.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.1 | -71.2 | 166.1 | 0 | 0 | 0 | 110.9 | T189 Y193 R221 M222 K227 R228 N229 | T189-I225 HydrophobicContact CG2-CB 4.45Å; T189-I225 HydrophobicContact CG2-CG1 4.36Å; T189-I225 HydrophobicContact CG2-CG2 3.94Å; Y193-I225 HydrophobicContact CD2-CB 4.35Å; Y193-I225 HydrophobicContact CD2-CD1 4.16Å; Y193-I225 HydrophobicContact CD2-CG1 3.23Å; Y193-I225 HydrophobicContact CE2-CG1 3.75Å; Y193-I225 HydrophobicContact CG-CG1 4.02Å; R221-I225 WeakPolarHBondContact O-CB 3.39Å; R221-I225 VanDerWaalsContact O-CG1 3.31Å; R221-I225 WeakPolarHBondContact O-CG1 3.3Å; R221-I225 PolarHBondContact O-N 3.44Å; M222-I225 HydrophobicContact CE-CD1 3.54Å; M222-I225 HydrophobicContact SD-CD1 4.24Å; I225-K227 VanDerWaalsContact C-N 3.35Å; I225-K227 PolarHBondContact O-N 3.46Å; I225-R228 PolarHBondContact O-N 3.32Å; I225-N229 WeakPolarHBondContact O-CB 3.48Å; I225-N229 VanDerWaalsContact O-CG 3.23Å; I225-N229 PolarHBondContact O-N 3.45Å; I225-N229 PolarHBondContact O-ND2 3.36Å |
| 226 | R | 94.9 | Very high | 94.1 | Very high | 163 Ų | 163 | 53.7 Ų | 53.7 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.9 | -43.7 | 178.3 | -78.6 | -176.7 | -63.4 | 160.3 | 0.3 | 111.8 | M222 S223 A224 N229 E230 | M222-R226 WeakPolarHBondContact O-CB 3Å; M222-R226 WeakPolarHBondContact O-CG 3.24Å; M222-R226 PolarHBondContact O-N 3.08Å; M222-R226 VanDerWaalsContact O-N 3.08Å; M222-R226 PolarHBondContact O-NE 2.88Å; S223-R226 PolarHBondContact O-N 3.07Å; A224-R226 PolarHBondContact O-N 2.96Å; R226-N229 PolarHBondContact O-N 2.87Å; R226-E230 VanDerWaalsContact O-CB 3.24Å; R226-E230 WeakPolarHBondContact O-CB 3.09Å; R226-E230 PolarHBondContact O-N 3.03Å |
| 227 | K | 92.6 | Very high | 94.1 | Very high | 133 Ų | 133 | 52.9 Ų | 52.9 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.7 | -50.1 | 176.6 | -72.6 | 176.9 | -178.9 | -174.9 | 0 | 111.3 | S223 A224 I225 N229 E230 E231 | S223-K227 WeakPolarHBondContact O-CG 3.17Å; S223-K227 PolarHBondContact O-N 2.97Å; A224-K227 PolarHBondContact O-N 3.49Å; I225-K227 VanDerWaalsContact C-N 3.35Å; I225-K227 PolarHBondContact O-N 3.46Å; K227-N229 PolarHBondContact O-N 3.48Å; K227-E230 PolarHBondContact O-N 3.48Å; K227-E231 VanDerWaalsContact O-CG 3.25Å; K227-E231 WeakPolarHBondContact O-CG 3.46Å; K227-E231 PolarHBondContact O-N 2.81Å |
| 228 | R | 93.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -45 | 179 | -178.9 | 61.9 | 164.7 | 167.7 | -4 | 112.7 | V91 E126 Y193 A224 I225 E230 E231 I232 | V91-R228 PolarHBondContact O-NH1 3.45Å; V91-R228 PolarHBondContact O-NH2 2.86Å; E126-R228 IonicContact OE1-CZ 3.59Å; E126-R228 IonicContact OE1-NE 3.94Å; E126-R228 IonicContact OE1-NH2 3.2Å; E126-R228 PolarHBondContact OE1-NH2 2.88Å; E126-R228 IonicContact OE2-NH2 2.6Å; E126-R228 PolarHBondContact OE2-NH2 3.03Å; Y193-R228 WeakPolarHBondContact OH-CB 3.43Å; Y193-R228 WeakPolarHBondContact OH-CG 3.2Å; A224-R228 PolarHBondContact O-N 3.36Å; I225-R228 PolarHBondContact O-N 3.32Å; R228-E230 VanDerWaalsContact C-N 3.31Å; R228-E230 PolarHBondContact O-N 3.18Å; R228-E231 IonicContact NH1-OE2 2.75Å; R228-E231 PolarHBondContact O-N 3.06Å; R228-I232 HydrophobicContact CG-CD1 4.07Å; R228-I232 PolarHBondContact O-N 3.36Å; R228-I232 VanDerWaalsContact O-N 3.14Å |
| 229 | N | 94.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 178.9 | -70.7 | -15 | 0 | 0 | 0 | 111.1 | T189 I225 R226 K227 I232 R233 | T189-N229 VanDerWaalsContact CG2-OD1 3.28Å; T189-N229 WeakPolarHBondContact CG2-OD1 3.32Å; T189-N229 PolarHBondContact N-OD1 3.23Å; I225-N229 WeakPolarHBondContact O-CB 3.48Å; I225-N229 VanDerWaalsContact O-CG 3.23Å; I225-N229 PolarHBondContact O-N 3.45Å; I225-N229 PolarHBondContact O-ND2 3.36Å; R226-N229 PolarHBondContact O-N 2.87Å; K227-N229 PolarHBondContact O-N 3.48Å; N229-I232 PolarHBondContact O-N 3.21Å; N229-R233 WeakPolarHBondContact O-CB 3.38Å; N229-R233 WeakPolarHBondContact O-CG 3.25Å; N229-R233 PolarHBondContact O-N 3.08Å |
| 230 | E | 93.5 | Very high | 93.9 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 43% | 0.425 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 178.9 | -176.5 | 58.2 | -156.4 | 0 | 0 | 111.8 | R226 K227 R228 I232 R233 Q234 | R226-E230 VanDerWaalsContact O-CB 3.24Å; R226-E230 WeakPolarHBondContact O-CB 3.09Å; R226-E230 PolarHBondContact O-N 3.03Å; K227-E230 PolarHBondContact O-N 3.48Å; R228-E230 VanDerWaalsContact C-N 3.31Å; R228-E230 PolarHBondContact O-N 3.18Å; E230-I232 PolarHBondContact O-N 3.39Å; E230-R233 PolarHBondContact O-N 3.48Å; E230-Q234 HydrophobicContact CG-CG 4.47Å; E230-Q234 WeakPolarHBondContact O-CB 3.27Å; E230-Q234 VanDerWaalsContact O-CG 3.24Å; E230-Q234 WeakPolarHBondContact O-CG 3.2Å; E230-Q234 PolarHBondContact O-N 3.05Å; E230-Q234 PolarHBondContact OE1-NE2 2.98Å |
| 231 | E | 92.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 50.3 Ų | 50.3 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 175.6 | -70.2 | 165.8 | -171.9 | 0 | 0 | 112.6 | R90 F94 K227 R228 Q234 L235 | R90-E231 IonicContact CZ-OE1 2.95Å; R90-E231 IonicContact CZ-OE2 2.77Å; R90-E231 IonicContact NE-OE2 3.91Å; R90-E231 IonicContact NH2-OE1 2.64Å; R90-E231 PolarHBondContact NH2-OE1 2.88Å; R90-E231 IonicContact NH2-OE2 2.85Å; R90-E231 PolarHBondContact NH2-OE2 2.95Å; F94-E231 HydrophobicContact CE2-CG 3.82Å; F94-E231 HydrophobicContact CZ-CG 3.66Å; K227-E231 VanDerWaalsContact O-CG 3.25Å; K227-E231 WeakPolarHBondContact O-CG 3.46Å; K227-E231 PolarHBondContact O-N 2.81Å; R228-E231 IonicContact NH1-OE2 2.75Å; R228-E231 PolarHBondContact O-N 3.06Å; E231-Q234 PolarHBondContact O-N 3.49Å; E231-L235 PolarHBondContact O-N 3.25Å |
| 232 | I | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -42.8 | 179.5 | -69.2 | 169.3 | 0 | 0 | 0 | 110.3 | V93 I123 W184 F187 R228 N229 E230 Q234 L235 V236 | V93-I232 HydrophobicContact CG2-CG1 4.39Å; I123-I232 HydrophobicContact CG2-CD1 3.87Å; W184-I232 HydrophobicContact CE3-CG2 3.83Å; W184-I232 HydrophobicContact CZ3-CG2 3.92Å; F187-I232 HydrophobicContact CB-CG2 4.14Å; F187-I232 HydrophobicContact CD1-CB 3.94Å; F187-I232 HydrophobicContact CD1-CD1 3.81Å; F187-I232 HydrophobicContact CD1-CG1 4.48Å; F187-I232 HydrophobicContact CD1-CG2 3.67Å; F187-I232 HydrophobicContact CD2-CG2 4.36Å; F187-I232 HydrophobicContact CE1-CB 4.26Å; F187-I232 HydrophobicContact CE1-CD1 3.21Å; F187-I232 HydrophobicContact CE1-CG1 4.31Å; F187-I232 HydrophobicContact CE1-CG2 4.17Å; F187-I232 HydrophobicContact CG-CG2 3.78Å; F187-I232 HydrophobicContact CZ-CD1 3.64Å; R228-I232 HydrophobicContact CG-CD1 4.07Å; R228-I232 PolarHBondContact O-N 3.36Å; R228-I232 VanDerWaalsContact O-N 3.14Å; N229-I232 PolarHBondContact O-N 3.21Å; E230-I232 PolarHBondContact O-N 3.39Å; I232-Q234 VanDerWaalsContact C-N 3.3Å; I232-Q234 PolarHBondContact O-N 3.16Å; I232-L235 WeakPolarHBondContact O-CB 3.45Å; I232-L235 PolarHBondContact O-N 2.76Å; I232-V236 HydrophobicContact CG2-CG2 4.39Å; I232-V236 WeakPolarHBondContact O-CG2 3.47Å; I232-V236 PolarHBondContact O-N 3.5Å |
| 233 | R | 95.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 45 Ų | 45 | 33% | 0.328 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -36.9 | 176.9 | -70.5 | 172.8 | -167.5 | -174.5 | -1.6 | 112.1 | F187 N229 E230 V236 A237 | F187-R233 PolarHBondContact O-NE 3.24Å; F187-R233 PolarHBondContact O-NH2 3.07Å; N229-R233 WeakPolarHBondContact O-CB 3.38Å; N229-R233 WeakPolarHBondContact O-CG 3.25Å; N229-R233 PolarHBondContact O-N 3.08Å; E230-R233 PolarHBondContact O-N 3.48Å; R233-V236 PolarHBondContact O-N 3.31Å; R233-A237 PolarHBondContact O-N 3.26Å |
| 234 | Q | 92.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 50 Ų | 50 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 173.4 | -75.1 | 176.6 | 14.8 | 0 | 0 | 111.7 | F97 E230 E231 I232 V236 A237 Y238 | F97-Q234 HydrophobicContact CE1-CB 4.01Å; F97-Q234 HydrophobicContact CZ-CB 3.88Å; E230-Q234 HydrophobicContact CG-CG 4.47Å; E230-Q234 WeakPolarHBondContact O-CB 3.27Å; E230-Q234 VanDerWaalsContact O-CG 3.24Å; E230-Q234 WeakPolarHBondContact O-CG 3.2Å; E230-Q234 PolarHBondContact O-N 3.05Å; E230-Q234 PolarHBondContact OE1-NE2 2.98Å; E231-Q234 PolarHBondContact O-N 3.49Å; I232-Q234 VanDerWaalsContact C-N 3.3Å; I232-Q234 PolarHBondContact O-N 3.16Å; Q234-V236 VanDerWaalsContact C-N 3.33Å; Q234-V236 PolarHBondContact O-N 3.33Å; Q234-A237 PolarHBondContact O-N 3.48Å; Q234-Y238 WeakPolarHBondContact O-CB 3.03Å; Q234-Y238 PolarHBondContact O-N 2.95Å |
| 235 | L | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.5 | 177.2 | 69.5 | 0 | 0 | 0 | 110.6 | V93 F97 Y116 V119 F120 I123 E231 I232 A237 Y238 V239 | V93-L235 HydrophobicContact CG1-CB 3.42Å; V93-L235 VanDerWaalsContact CG1-CB 3.42Å; V93-L235 HydrophobicContact CG1-CD1 4.1Å; V93-L235 HydrophobicContact CG1-CD2 3.51Å; V93-L235 HydrophobicContact CG1-CG 3.83Å; V93-L235 HydrophobicContact CG2-CD2 4.49Å; F97-L235 HydrophobicContact CD2-CD1 4.32Å; F97-L235 HydrophobicContact CE2-CB 4.08Å; F97-L235 HydrophobicContact CE2-CD1 4.17Å; F97-L235 VanDerWaalsContact CZ-CA 3.47Å; F97-L235 HydrophobicContact CZ-CB 3.81Å; F97-L235 HydrophobicContact CZ-CD1 4.45Å; F97-L235 VanDerWaalsContact CZ-N 3.27Å; Y116-L235 HydrophobicContact CE1-CD1 4.12Å; V119-L235 HydrophobicContact CG1-CD2 3.88Å; F120-L235 HydrophobicContact CE1-CD2 4.2Å; F120-L235 HydrophobicContact CZ-CD2 4.09Å; F120-L235 HydrophobicContact CZ-CG 4.34Å; I123-L235 HydrophobicContact CD1-CD2 4.29Å; E231-L235 PolarHBondContact O-N 3.25Å; I232-L235 WeakPolarHBondContact O-CB 3.45Å; I232-L235 PolarHBondContact O-N 2.76Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 2.98Å; L235-Y238 WeakPolarHBondContact O-CB 3.33Å; L235-Y238 PolarHBondContact O-N 2.79Å; L235-Y238 VanDerWaalsContact O-N 3.12Å; L235-V239 HydrophobicContact CD1-CG2 4.13Å; L235-V239 HydrophobicContact CG-CG2 4.28Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.06Å; L235-V239 PolarHBondContact O-N 3.14Å |
| 236 | V | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 179.5 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | F120 Y181 W184 E185 I232 R233 Q234 V239 K240 | F120-V236 HydrophobicContact CE1-CG2 3.77Å; F120-V236 HydrophobicContact CZ-CG2 3.98Å; Y181-V236 HydrophobicContact CD1-CG1 3.85Å; Y181-V236 HydrophobicContact CE1-CG1 4.34Å; W184-V236 HydrophobicContact CB-CB 4.47Å; W184-V236 HydrophobicContact CB-CG1 3.98Å; W184-V236 HydrophobicContact CB-CG2 3.61Å; W184-V236 HydrophobicContact CG-CG2 4.44Å; E185-V236 HydrophobicContact CG-CG1 4.01Å; I232-V236 HydrophobicContact CG2-CG2 4.39Å; I232-V236 WeakPolarHBondContact O-CG2 3.47Å; I232-V236 PolarHBondContact O-N 3.5Å; R233-V236 PolarHBondContact O-N 3.31Å; Q234-V236 VanDerWaalsContact C-N 3.33Å; Q234-V236 PolarHBondContact O-N 3.33Å; V236-V239 PolarHBondContact O-N 3Å; V236-K240 WeakPolarHBondContact O-CB 3.11Å; V236-K240 PolarHBondContact O-N 2.76Å |
| 237 | A | 94.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 49% | 0.488 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R233 Q234 L235 K240 K241 | R233-A237 PolarHBondContact O-N 3.26Å; Q234-A237 PolarHBondContact O-N 3.48Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 2.98Å; A237-K240 PolarHBondContact O-N 3.39Å; A237-K241 PolarHBondContact O-N 3.13Å |
| 238 | Y | 92.3 | Very high | 93.7 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 11% | 0.114 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.9 | 179.7 | -87.4 | 0 | 0 | 0 | 112.1 | F97 R99 Y116 Q234 L235 R242 | F97-Y238 VanDerWaalsContact C-CZ 3.44Å; F97-Y238 HydrophobicContact CB-CE2 4.44Å; F97-Y238 AromaticContact CD1-CD2 3.8Å; F97-Y238 HydrophobicContact CD1-CD2 3.8Å; F97-Y238 HydrophobicContact CD1-CE2 4.48Å; F97-Y238 AromaticContact CD1-CG 3.83Å; F97-Y238 HydrophobicContact CD1-CG 3.83Å; F97-Y238 HydrophobicContact CE1-CG 4.4Å; F97-Y238 WeakPolarHBondContact O-CE2 3.34Å; F97-Y238 PolarHBondContact O-OH 3.45Å; R99-Y238 PolarHBondContact N-OH 2.94Å; Y116-Y238 WeakPolarHBondContact OH-CE1 3.45Å; Q234-Y238 WeakPolarHBondContact O-CB 3.03Å; Q234-Y238 PolarHBondContact O-N 2.95Å; L235-Y238 WeakPolarHBondContact O-CB 3.33Å; L235-Y238 PolarHBondContact O-N 2.79Å; L235-Y238 VanDerWaalsContact O-N 3.12Å; Y238-R242 VanDerWaalsContact CE2-NH1 3.29Å; Y238-R242 VanDerWaalsContact CZ-NE 3.25Å; Y238-R242 PolarHBondContact OH-NE 3.21Å |
| 239 | V | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | F112 Y116 F120 F166 L235 V236 K241 R242 D243 | F112-V239 HydrophobicContact CE1-CG1 4.38Å; F112-V239 HydrophobicContact CE2-CG1 4.45Å; F112-V239 HydrophobicContact CZ-CG1 3.7Å; Y116-V239 HydrophobicContact CD1-CG1 4.47Å; Y116-V239 HydrophobicContact CD1-CG2 3.44Å; Y116-V239 VanDerWaalsContact CD1-CG2 3.44Å; Y116-V239 HydrophobicContact CD2-CG1 4.23Å; Y116-V239 HydrophobicContact CD2-CG2 4.3Å; Y116-V239 HydrophobicContact CE1-CG2 3.34Å; Y116-V239 HydrophobicContact CE2-CG2 4.22Å; Y116-V239 HydrophobicContact CG-CG1 4.16Å; Y116-V239 HydrophobicContact CG-CG2 3.95Å; F120-V239 HydrophobicContact CE2-CG2 4.4Å; F120-V239 HydrophobicContact CZ-CG2 4.49Å; F166-V239 HydrophobicContact CE2-CG1 4.07Å; F166-V239 HydrophobicContact CZ-CG1 3.9Å; L235-V239 HydrophobicContact CD1-CG2 4.13Å; L235-V239 HydrophobicContact CG-CG2 4.28Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.06Å; L235-V239 PolarHBondContact O-N 3.14Å; V236-V239 PolarHBondContact O-N 3Å; V239-K241 VanDerWaalsContact C-N 3.31Å; V239-K241 PolarHBondContact O-N 3.24Å; V239-R242 PolarHBondContact O-N 3.36Å; V239-D243 PolarHBondContact O-N 3.16Å |
| 240 | K | 94.7 | Very high | 93.6 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 29% | 0.287 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.8 | -36.9 | 179.3 | -171.1 | 178.4 | 180 | -176 | 0 | 113 | Y181 E185 V236 A237 R242 V246 | Y181-K240 HydrophobicContact CD1-CB 3.92Å; Y181-K240 HydrophobicContact CD1-CD 4.18Å; Y181-K240 HydrophobicContact CD1-CG 4.09Å; Y181-K240 HydrophobicContact CE1-CB 3.58Å; Y181-K240 HydrophobicContact CE1-CG 4.08Å; Y181-K240 HydrophobicContact CG-CD 4.35Å; Y181-K240 HydrophobicContact CG-CG 4.39Å; E185-K240 WeakPolarHBondContact OE1-CD 3.14Å; E185-K240 WeakPolarHBondContact OE1-CE 3.4Å; E185-K240 IonicContact OE1-NZ 3.28Å; E185-K240 PolarHBondContact OE1-NZ 3.09Å; E185-K240 IonicContact OE2-NZ 3.9Å; V236-K240 WeakPolarHBondContact O-CB 3.11Å; V236-K240 PolarHBondContact O-N 2.76Å; A237-K240 PolarHBondContact O-N 3.39Å; K240-R242 PolarHBondContact O-N 2.81Å; K240-V246 HydrophobicContact CG-CG1 3.95Å; K240-V246 HydrophobicContact CG-CG2 4.41Å |
| 241 | K | 92 | Very high | 93.7 | Very high | 130 Ų | 130 | 43.3 Ų | 43.3 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.6 | -24.6 | 176.5 | -172.6 | 179.4 | 176.6 | -173.1 | 0 | 112.6 | E59 A237 V239 | E59-K241 IonicContact OE1-NZ 3.4Å; E59-K241 PolarHBondContact OE1-NZ 2.99Å; A237-K241 PolarHBondContact O-N 3.13Å; V239-K241 VanDerWaalsContact C-N 3.31Å; V239-K241 PolarHBondContact O-N 3.24Å |
| 242 | R | 91.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 11% | 0.106 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -108.1 | -21.5 | -173.6 | -72.7 | 167.1 | 173.4 | 68.5 | 1 | 114 | F105 F112 Y238 V239 K240 R244 | F105-R242 VanDerWaalsContact CE1-O 3.28Å; F105-R242 WeakPolarHBondContact CE1-O 3.25Å; F112-R242 HydrophobicContact CE2-CB 4.18Å; Y238-R242 VanDerWaalsContact CE2-NH1 3.29Å; Y238-R242 VanDerWaalsContact CZ-NE 3.25Å; Y238-R242 PolarHBondContact OH-NE 3.21Å; V239-R242 PolarHBondContact O-N 3.36Å; K240-R242 PolarHBondContact O-N 2.81Å; R242-R244 PolarHBondContact O-N 3.35Å |
| 243 | D | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -61.4 | 118.9 | -178.6 | -172.2 | -31.5 | 0 | 0 | 0 | 111.1 | F112 Y181 V239 R245 V246 I247 | F112-D243 HydrophobicContact CE1-CB 3.93Å; F112-D243 HydrophobicContact CZ-CB 3.95Å; Y181-D243 WeakPolarHBondContact OH-CB 3.36Å; Y181-D243 PolarHBondContact OH-OD2 3.33Å; V239-D243 PolarHBondContact O-N 3.16Å; D243-R245 PolarHBondContact O-N 3.46Å; D243-R245 WeakPolarHBondContact OD1-CA 3.42Å; D243-R245 WeakPolarHBondContact OD1-CB 3.36Å; D243-R245 WeakPolarHBondContact OD1-CG 3.4Å; D243-R245 PolarHBondContact OD1-N 2.85Å; D243-R245 IonicContact OD1-NE 2.81Å; D243-R245 PolarHBondContact OD1-NE 2.82Å; D243-R245 IonicContact OD2-CZ 2.69Å; D243-R245 IonicContact OD2-NE 2.56Å; D243-R245 PolarHBondContact OD2-NE 2.94Å; D243-R245 IonicContact OD2-NH2 3.37Å; D243-R245 PolarHBondContact OD2-NH2 3.13Å; D243-V246 HydrophobicContact CB-CB 4.21Å; D243-V246 HydrophobicContact CB-CG2 3.82Å; D243-V246 PolarHBondContact O-N 3.13Å; D243-V246 VanDerWaalsContact O-N 3.09Å; D243-I247 WeakPolarHBondContact O-CG1 3.49Å; D243-I247 PolarHBondContact O-N 3.35Å | ||
| 244 | R | 92.2 | Very high | 93.8 | Very high | 143 Ų | 143 | 52.6 Ų | 52.6 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -31.9 | -177.7 | -172.6 | 60.6 | 176.9 | -173.4 | 4.3 | 112.4 | R242 V246 I247 A248 | R242-R244 PolarHBondContact O-N 3.35Å; R244-V246 VanDerWaalsContact C-N 3.32Å; R244-I247 PolarHBondContact O-N 2.92Å; R244-A248 VanDerWaalsContact O-CB 3.31Å; R244-A248 WeakPolarHBondContact O-CB 3.34Å; R244-A248 PolarHBondContact O-N 3.43Å |
| 245 | R | 94.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.9 | -55 | 172.2 | -63.4 | 180 | 4.1 | 110.6 | Y113 F166 C168 V177 D243 E249 | Y113-R245 HydrophobicContact CE1-CG 4.21Å; F166-R245 VanDerWaalsContact CZ-NH2 3.31Å; F166-R245 PolarHBondContact O-NH1 3.41Å; F166-R245 PolarHBondContact O-NH2 3.2Å; C168-R245 PolarHBondContact O-NH1 3.27Å; V177-R245 HydrophobicContact CG2-CB 4.4Å; D243-R245 PolarHBondContact O-N 3.46Å; D243-R245 WeakPolarHBondContact OD1-CA 3.42Å; D243-R245 WeakPolarHBondContact OD1-CB 3.36Å; D243-R245 WeakPolarHBondContact OD1-CG 3.4Å; D243-R245 PolarHBondContact OD1-N 2.85Å; D243-R245 IonicContact OD1-NE 2.81Å; D243-R245 PolarHBondContact OD1-NE 2.82Å; D243-R245 IonicContact OD2-CZ 2.69Å; D243-R245 IonicContact OD2-NE 2.56Å; D243-R245 PolarHBondContact OD2-NE 2.94Å; D243-R245 IonicContact OD2-NH2 3.37Å; D243-R245 PolarHBondContact OD2-NH2 3.13Å; R245-E249 PolarHBondContact O-N 2.82Å |
| 246 | V | 94.4 | Very high | 94 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.7 | -42.2 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | Y173 V177 Y181 K240 D243 R244 E249 N250 | Y173-V246 HydrophobicContact CE2-CB 4.34Å; Y173-V246 HydrophobicContact CE2-CG2 4.04Å; V177-V246 HydrophobicContact CG1-CG2 3.95Å; Y181-V246 HydrophobicContact CD2-CG2 3.96Å; Y181-V246 HydrophobicContact CE2-CG2 3.35Å; K240-V246 HydrophobicContact CG-CG1 3.95Å; K240-V246 HydrophobicContact CG-CG2 4.41Å; D243-V246 HydrophobicContact CB-CB 4.21Å; D243-V246 HydrophobicContact CB-CG2 3.82Å; D243-V246 PolarHBondContact O-N 3.13Å; D243-V246 VanDerWaalsContact O-N 3.09Å; R244-V246 VanDerWaalsContact C-N 3.32Å; V246-E249 PolarHBondContact O-N 3.31Å; V246-N250 WeakPolarHBondContact O-CB 3.36Å; V246-N250 VanDerWaalsContact O-CG 3.23Å; V246-N250 PolarHBondContact O-N 3.4Å; V246-N250 PolarHBondContact O-ND2 3.31Å |
| 247 | I | 93.7 | Very high | 94 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 176.5 | -66.2 | 166.7 | 0 | 0 | 0 | 110.2 | D243 R244 E249 N250 E251 | D243-I247 WeakPolarHBondContact O-CG1 3.49Å; D243-I247 PolarHBondContact O-N 3.35Å; R244-I247 PolarHBondContact O-N 2.92Å; I247-E249 VanDerWaalsContact C-N 3.33Å; I247-E249 PolarHBondContact O-N 3.01Å; I247-N250 PolarHBondContact O-N 3.36Å; I247-E251 HydrophobicContact CG2-CG 4.47Å; I247-E251 WeakPolarHBondContact CG2-OE1 3.47Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 3.41Å |
| 248 | A | 93.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R244 R252 | R244-A248 VanDerWaalsContact O-CB 3.31Å; R244-A248 WeakPolarHBondContact O-CB 3.34Å; R244-A248 PolarHBondContact O-N 3.43Å; A248-R252 PolarHBondContact O-N 2.76Å |
| 249 | E | 93.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 71.8 Ų | 71.8 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 176.3 | -179.5 | 63.9 | -173.7 | 0 | 0 | 112.2 | Y173 R245 V246 I247 E251 R252 I253 | Y173-E249 HydrophobicContact CD1-CB 4.27Å; Y173-E249 HydrophobicContact CD1-CG 3.67Å; Y173-E249 HydrophobicContact CD2-CB 3.75Å; Y173-E249 HydrophobicContact CD2-CG 4.06Å; Y173-E249 HydrophobicContact CE1-CB 4.34Å; Y173-E249 HydrophobicContact CE1-CG 3.61Å; Y173-E249 HydrophobicContact CE2-CB 3.8Å; Y173-E249 HydrophobicContact CE2-CG 3.99Å; Y173-E249 HydrophobicContact CG-CB 3.98Å; Y173-E249 HydrophobicContact CG-CG 3.9Å; R245-E249 PolarHBondContact O-N 2.82Å; V246-E249 PolarHBondContact O-N 3.31Å; I247-E249 VanDerWaalsContact C-N 3.33Å; I247-E249 PolarHBondContact O-N 3.01Å; E249-E251 VanDerWaalsContact C-N 3.3Å; E249-E251 PolarHBondContact O-N 3.2Å; E249-R252 WeakPolarHBondContact O-CB 3.41Å; E249-R252 PolarHBondContact O-N 3.18Å; E249-R252 VanDerWaalsContact O-N 3.15Å; E249-R252 IonicContact OE1-CZ 3.19Å; E249-R252 IonicContact OE1-NE 3.4Å; E249-R252 PolarHBondContact OE1-NE 3.42Å; E249-R252 IonicContact OE1-NH2 2.66Å; E249-R252 PolarHBondContact OE1-NH2 2.92Å; E249-R252 IonicContact OE2-CZ 2.71Å; E249-R252 IonicContact OE2-NE 3.7Å; E249-R252 PolarHBondContact OE2-NE 2.97Å; E249-R252 IonicContact OE2-NH2 3.22Å; E249-I253 HydrophobicContact CG-CD1 3.99Å; E249-I253 HydrophobicContact CG-CG1 4.48Å; E249-I253 WeakPolarHBondContact O-CG1 3.42Å; E249-I253 PolarHBondContact O-N 3.41Å |
| 250 | N | 93.5 | Very high | 94.3 | Very high | 71 Ų | 71 | 75 Ų | 75 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175 | -73.4 | -21.9 | 0 | 0 | 0 | 111.2 | V246 I247 I253 Q254 | V246-N250 WeakPolarHBondContact O-CB 3.36Å; V246-N250 VanDerWaalsContact O-CG 3.23Å; V246-N250 PolarHBondContact O-N 3.4Å; V246-N250 PolarHBondContact O-ND2 3.31Å; I247-N250 PolarHBondContact O-N 3.36Å; N250-I253 PolarHBondContact O-N 3.3Å; N250-Q254 WeakPolarHBondContact O-CB 3.26Å; N250-Q254 VanDerWaalsContact O-CG 3.27Å; N250-Q254 WeakPolarHBondContact O-CG 3.19Å; N250-Q254 PolarHBondContact O-N 3.12Å |
| 251 | E | 94.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 77.2 Ų | 77.2 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 174.1 | -73.2 | 171.5 | -179 | 0 | 0 | 111.9 | I247 E249 Q254 R255 | I247-E251 HydrophobicContact CG2-CG 4.47Å; I247-E251 WeakPolarHBondContact CG2-OE1 3.47Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 3.41Å; E249-E251 VanDerWaalsContact C-N 3.3Å; E249-E251 PolarHBondContact O-N 3.2Å; E251-Q254 PolarHBondContact O-N 2.92Å; E251-R255 WeakPolarHBondContact O-CG 3.37Å; E251-R255 PolarHBondContact O-N 2.86Å |
| 252 | R | 94.5 | Very high | 94.6 | Very high | 103 Ų | 103 | 75.6 Ų | 75.6 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 174.8 | -169.1 | -169.6 | 73.4 | 80.3 | 5.2 | 111.7 | A248 E249 Q254 R255 I256 | A248-R252 PolarHBondContact O-N 2.76Å; E249-R252 WeakPolarHBondContact O-CB 3.41Å; E249-R252 PolarHBondContact O-N 3.18Å; E249-R252 VanDerWaalsContact O-N 3.15Å; E249-R252 IonicContact OE1-CZ 3.19Å; E249-R252 IonicContact OE1-NE 3.4Å; E249-R252 PolarHBondContact OE1-NE 3.42Å; E249-R252 IonicContact OE1-NH2 2.66Å; E249-R252 PolarHBondContact OE1-NH2 2.92Å; E249-R252 IonicContact OE2-CZ 2.71Å; E249-R252 IonicContact OE2-NE 3.7Å; E249-R252 PolarHBondContact OE2-NE 2.97Å; E249-R252 IonicContact OE2-NH2 3.22Å; R252-Q254 VanDerWaalsContact C-N 3.35Å; R252-R255 PolarHBondContact O-N 2.88Å; R252-I256 HydrophobicContact CG-CD1 4.36Å; R252-I256 WeakPolarHBondContact O-CG1 3.41Å; R252-I256 PolarHBondContact O-N 3.3Å; R252-I256 VanDerWaalsContact O-N 3.09Å |
| 253 | I | 94 | Very high | 94.8 | Very high | 83 Ų | 83 | 82.9 Ų | 82.9 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 177.5 | -68 | 168.1 | 0 | 0 | 0 | 110.5 | E249 N250 R255 I256 A257 | E249-I253 HydrophobicContact CG-CD1 3.99Å; E249-I253 HydrophobicContact CG-CG1 4.48Å; E249-I253 WeakPolarHBondContact O-CG1 3.42Å; E249-I253 PolarHBondContact O-N 3.41Å; N250-I253 PolarHBondContact O-N 3.3Å; I253-R255 PolarHBondContact O-N 2.83Å; I253-I256 PolarHBondContact O-N 3.48Å; I253-A257 WeakPolarHBondContact O-CB 3.37Å; I253-A257 PolarHBondContact O-N 3.46Å |
| 254 | Q | 95 | Very high | 94.8 | Very high | 112 Ų | 112 | 87 Ų | 87 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 177 | -74.9 | 177.8 | 16.8 | 0 | 0 | 112.5 | N250 E251 R252 A257 K258 | N250-Q254 WeakPolarHBondContact O-CB 3.26Å; N250-Q254 VanDerWaalsContact O-CG 3.27Å; N250-Q254 WeakPolarHBondContact O-CG 3.19Å; N250-Q254 PolarHBondContact O-N 3.12Å; E251-Q254 PolarHBondContact O-N 2.92Å; R252-Q254 VanDerWaalsContact C-N 3.35Å; Q254-A257 PolarHBondContact O-N 3.31Å; Q254-K258 WeakPolarHBondContact O-CB 3.45Å; Q254-K258 VanDerWaalsContact O-CG 3.29Å; Q254-K258 WeakPolarHBondContact O-CG 3.15Å; Q254-K258 PolarHBondContact O-N 3.42Å |
| 255 | R | 95.9 | Very high | 95 | Very high | 139 Ų | 139 | 86.4 Ų | 86.4 | 53% | 0.525 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 174.1 | -78.8 | -176.6 | -70.6 | 126.4 | -8 | 111.7 | E251 R252 I253 A257 K258 E259 | E251-R255 WeakPolarHBondContact O-CG 3.37Å; E251-R255 PolarHBondContact O-N 2.86Å; R252-R255 PolarHBondContact O-N 2.88Å; I253-R255 PolarHBondContact O-N 2.83Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 2.92Å; R255-K258 PolarHBondContact O-N 2.94Å; R255-K258 VanDerWaalsContact O-N 3.14Å; R255-E259 WeakPolarHBondContact O-CB 3.4Å; R255-E259 WeakPolarHBondContact O-CG 3.25Å; R255-E259 PolarHBondContact O-N 3.36Å |
| 256 | I | 95.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 89.6 Ų | 89.6 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 177.4 | -67.1 | 168.5 | 0 | 0 | 0 | 111.2 | R252 I253 E259 S260 | R252-I256 HydrophobicContact CG-CD1 4.36Å; R252-I256 WeakPolarHBondContact O-CG1 3.41Å; R252-I256 PolarHBondContact O-N 3.3Å; R252-I256 VanDerWaalsContact O-N 3.09Å; I253-I256 PolarHBondContact O-N 3.48Å; I256-E259 PolarHBondContact O-N 3.4Å; I256-S260 WeakPolarHBondContact O-CB 3.49Å; I256-S260 PolarHBondContact O-N 3.33Å |
| 257 | A | 95.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I253 Q254 R255 Q261 | I253-A257 WeakPolarHBondContact O-CB 3.37Å; I253-A257 PolarHBondContact O-N 3.46Å; Q254-A257 PolarHBondContact O-N 3.31Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 2.92Å; A257-Q261 WeakPolarHBondContact O-CB 3.4Å; A257-Q261 PolarHBondContact O-N 3.19Å |
| 258 | K | 96.2 | Very high | 95.3 | Very high | 134 Ų | 134 | 94 Ų | 94 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 175 | -75.3 | 176 | -179.5 | -178.1 | 0 | 111.5 | Q254 R255 S260 Q261 V262 | Q254-K258 WeakPolarHBondContact O-CB 3.45Å; Q254-K258 VanDerWaalsContact O-CG 3.29Å; Q254-K258 WeakPolarHBondContact O-CG 3.15Å; Q254-K258 PolarHBondContact O-N 3.42Å; R255-K258 PolarHBondContact O-N 2.94Å; R255-K258 VanDerWaalsContact O-N 3.14Å; K258-S260 PolarHBondContact O-N 2.96Å; K258-Q261 WeakPolarHBondContact O-CB 3.49Å; K258-Q261 PolarHBondContact O-N 3.32Å; K258-V262 WeakPolarHBondContact O-CG2 3.16Å; K258-V262 PolarHBondContact O-N 3.49Å |
| 259 | E | 95.7 | Very high | 95.4 | Very high | 120 Ų | 120 | 96.2 Ų | 96.2 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.9 | -45.2 | 176.5 | -73 | 165.3 | -167.1 | 0 | 0 | 111.4 | R255 I256 Q261 V262 R263 | R255-E259 WeakPolarHBondContact O-CB 3.4Å; R255-E259 WeakPolarHBondContact O-CG 3.25Å; R255-E259 PolarHBondContact O-N 3.36Å; I256-E259 PolarHBondContact O-N 3.4Å; E259-Q261 VanDerWaalsContact C-N 3.34Å; E259-Q261 PolarHBondContact O-N 2.83Å; E259-V262 PolarHBondContact O-N 3.12Å; E259-R263 WeakPolarHBondContact O-CB 3.43Å; E259-R263 PolarHBondContact O-N 2.89Å |
| 260 | S | 95 | Very high | 95.5 | Very high | 69 Ų | 69 | 99.4 Ų | 99.4 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 174.1 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | I256 K258 R263 T264 | I256-S260 WeakPolarHBondContact O-CB 3.49Å; I256-S260 PolarHBondContact O-N 3.33Å; K258-S260 PolarHBondContact O-N 2.96Å; S260-R263 PolarHBondContact O-N 2.95Å; S260-T264 PolarHBondContact O-N 2.81Å; S260-T264 PolarHBondContact O-OG1 3.45Å |
| 261 | Q | 95.3 | Very high | 95.7 | Very high | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.8 | -172.1 | -177 | 21.3 | 0 | 0 | 111.7 | A257 K258 E259 T264 K265 | A257-Q261 WeakPolarHBondContact O-CB 3.4Å; A257-Q261 PolarHBondContact O-N 3.19Å; K258-Q261 WeakPolarHBondContact O-CB 3.49Å; K258-Q261 PolarHBondContact O-N 3.32Å; E259-Q261 VanDerWaalsContact C-N 3.34Å; E259-Q261 PolarHBondContact O-N 2.83Å; Q261-T264 PolarHBondContact O-N 3.39Å; Q261-K265 WeakPolarHBondContact O-CB 3.39Å; Q261-K265 WeakPolarHBondContact O-CG 3.4Å; Q261-K265 PolarHBondContact O-N 3.19Å |
| 262 | V | 96.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 58% | 0.582 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | K258 E259 T264 K265 L266 | K258-V262 WeakPolarHBondContact O-CG2 3.16Å; K258-V262 PolarHBondContact O-N 3.49Å; E259-V262 PolarHBondContact O-N 3.12Å; V262-T264 PolarHBondContact O-N 3.44Å; V262-K265 PolarHBondContact O-N 3.44Å; V262-L266 WeakPolarHBondContact O-CB 3.39Å; V262-L266 PolarHBondContact O-N 3.06Å |
| 263 | R | 95.5 | Very high | 95.7 | Very high | 180 Ų | 180 | 101.6 Ų | 101.6 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.9 | -46.3 | 176.5 | -176.3 | 178.4 | 177.2 | 178.9 | -0.8 | 111.7 | E259 S260 K265 L266 L267 | E259-R263 WeakPolarHBondContact O-CB 3.43Å; E259-R263 PolarHBondContact O-N 2.89Å; S260-R263 PolarHBondContact O-N 2.95Å; R263-K265 PolarHBondContact O-N 3.19Å; R263-L266 PolarHBondContact O-N 3.45Å; R263-L267 HydrophobicContact CG-CD1 4.14Å; R263-L267 WeakPolarHBondContact O-CB 3.17Å; R263-L267 WeakPolarHBondContact O-CG 3.35Å; R263-L267 PolarHBondContact O-N 3.02Å |
| 264 | T | 94.9 | Very high | 95.8 | Very high | 87 Ų | 87 | 105.4 Ų | 105.4 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | S260 Q261 V262 L267 A268 | S260-T264 PolarHBondContact O-N 2.81Å; S260-T264 PolarHBondContact O-OG1 3.45Å; Q261-T264 PolarHBondContact O-N 3.39Å; V262-T264 PolarHBondContact O-N 3.44Å; T264-L267 PolarHBondContact O-N 2.83Å; T264-A268 WeakPolarHBondContact O-CB 3.28Å; T264-A268 PolarHBondContact O-N 3.05Å |
| 265 | K | 96.4 | Very high | 95.7 | Very high | 130 Ų | 130 | 106.6 Ų | 106.6 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 175.8 | -76.9 | -179.1 | 177.3 | -173.7 | 0 | 112.3 | Q261 V262 R263 A268 E269 | Q261-K265 WeakPolarHBondContact O-CB 3.39Å; Q261-K265 WeakPolarHBondContact O-CG 3.4Å; Q261-K265 PolarHBondContact O-N 3.19Å; V262-K265 PolarHBondContact O-N 3.44Å; R263-K265 PolarHBondContact O-N 3.19Å; K265-A268 PolarHBondContact O-N 3.05Å; K265-E269 WeakPolarHBondContact O-CB 3.49Å; K265-E269 PolarHBondContact O-N 3.48Å |
| 266 | L | 97.2 | Very high | 95.7 | Very high | 88 Ų | 88 | 102.9 Ų | 102.9 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.8 | -177.5 | 67.1 | 0 | 0 | 0 | 111.6 | V262 R263 E269 K270 | V262-L266 WeakPolarHBondContact O-CB 3.39Å; V262-L266 PolarHBondContact O-N 3.06Å; R263-L266 PolarHBondContact O-N 3.45Å; L266-E269 PolarHBondContact O-N 3.21Å; L266-K270 WeakPolarHBondContact O-CG 3.45Å; L266-K270 PolarHBondContact O-N 3.46Å |
| 267 | L | 96.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 101.7 Ų | 101.7 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.8 | -73.9 | 170.1 | 0 | 0 | 0 | 111.4 | R263 T264 E269 K270 A271 | R263-L267 HydrophobicContact CG-CD1 4.14Å; R263-L267 WeakPolarHBondContact O-CB 3.17Å; R263-L267 WeakPolarHBondContact O-CG 3.35Å; R263-L267 PolarHBondContact O-N 3.02Å; T264-L267 PolarHBondContact O-N 2.83Å; L267-E269 VanDerWaalsContact C-N 3.31Å; L267-E269 PolarHBondContact O-N 3.39Å; L267-K270 PolarHBondContact O-N 2.67Å; L267-A271 WeakPolarHBondContact O-CB 3.15Å; L267-A271 PolarHBondContact O-N 3.25Å |
| 268 | A | 96.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 105.2 Ų | 105.2 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T264 K265 R272 | T264-A268 WeakPolarHBondContact O-CB 3.28Å; T264-A268 PolarHBondContact O-N 3.05Å; K265-A268 PolarHBondContact O-N 3.05Å; A268-R272 WeakPolarHBondContact O-CG 3.26Å; A268-R272 PolarHBondContact O-N 3.34Å; A268-R272 PolarHBondContact O-NH1 3.25Å |
| 269 | E | 95.6 | Very high | 95.3 | Very high | 90 Ų | 90 | 105 Ų | 105 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.7 | -45.9 | 175.4 | -174.3 | 171.4 | -172.2 | 0 | 0 | 112.5 | K265 L266 L267 A271 R272 Q273 | K265-E269 WeakPolarHBondContact O-CB 3.49Å; K265-E269 PolarHBondContact O-N 3.48Å; L266-E269 PolarHBondContact O-N 3.21Å; L267-E269 VanDerWaalsContact C-N 3.31Å; L267-E269 PolarHBondContact O-N 3.39Å; E269-A271 VanDerWaalsContact C-N 3.28Å; E269-A271 PolarHBondContact O-N 3.24Å; E269-R272 PolarHBondContact O-N 3.08Å; E269-Q273 WeakPolarHBondContact O-CG 3.39Å; E269-Q273 PolarHBondContact O-N 3.26Å |
| 270 | K | 96.4 | Very high | 95.1 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 172.9 | -73 | -175.3 | 177.3 | -169.7 | 0 | 111.8 | L266 L267 Q273 R274 | L266-K270 WeakPolarHBondContact O-CG 3.45Å; L266-K270 PolarHBondContact O-N 3.46Å; L267-K270 PolarHBondContact O-N 2.67Å; K270-Q273 PolarHBondContact O-N 3.27Å; K270-R274 WeakPolarHBondContact O-CG 3.35Å; K270-R274 PolarHBondContact O-N 3.38Å |
| 271 | A | 96 | Very high | 94.9 | Very high | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L267 E269 Q273 R274 E275 | L267-A271 WeakPolarHBondContact O-CB 3.15Å; L267-A271 PolarHBondContact O-N 3.25Å; E269-A271 VanDerWaalsContact C-N 3.28Å; E269-A271 PolarHBondContact O-N 3.24Å; A271-Q273 VanDerWaalsContact C-N 3.34Å; A271-Q273 PolarHBondContact O-N 3.08Å; A271-R274 PolarHBondContact O-N 3.05Å; A271-E275 PolarHBondContact O-N 3.42Å |
| 272 | R | 95.9 | Very high | 94.5 | Very high | 143 Ų | 143 | 103.7 Ų | 103.7 | 54% | 0.54 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.5 | -73.1 | -170.4 | -55.2 | -85.1 | 2.3 | 112.8 | A268 E269 E275 A276 | A268-R272 WeakPolarHBondContact O-CG 3.26Å; A268-R272 PolarHBondContact O-N 3.34Å; A268-R272 PolarHBondContact O-NH1 3.25Å; E269-R272 PolarHBondContact O-N 3.08Å; R272-E275 PolarHBondContact O-N 2.79Å; R272-A276 WeakPolarHBondContact O-CB 3.35Å; R272-A276 PolarHBondContact O-N 2.92Å |
| 273 | Q | 94.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -40.9 | 177.3 | -73.3 | 174.8 | -1.2 | 0 | 0 | 111.8 | E269 K270 A271 A276 A277 | E269-Q273 WeakPolarHBondContact O-CG 3.39Å; E269-Q273 PolarHBondContact O-N 3.26Å; K270-Q273 PolarHBondContact O-N 3.27Å; A271-Q273 VanDerWaalsContact C-N 3.34Å; A271-Q273 PolarHBondContact O-N 3.08Å; Q273-A276 PolarHBondContact O-N 3.07Å; Q273-A277 WeakPolarHBondContact O-CB 3.23Å; Q273-A277 PolarHBondContact O-N 3.13Å |
| 274 | R | 95.2 | Very high | 93.3 | Very high | 162 Ų | 162 | 101.6 Ų | 101.6 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 174.8 | -72.1 | 177 | -174 | 140.1 | -6.8 | 112.1 | K270 A271 A276 A277 Q278 | K270-R274 WeakPolarHBondContact O-CG 3.35Å; K270-R274 PolarHBondContact O-N 3.38Å; A271-R274 PolarHBondContact O-N 3.05Å; R274-A276 VanDerWaalsContact C-N 3.34Å; R274-A277 PolarHBondContact O-N 3.15Å; R274-Q278 WeakPolarHBondContact O-CB 3.36Å; R274-Q278 VanDerWaalsContact O-CG 3.29Å; R274-Q278 WeakPolarHBondContact O-CG 3.35Å; R274-Q278 PolarHBondContact O-N 3.38Å |
| 275 | E | 93.5 | Very high | 92.7 | Very high | 138 Ų | 138 | 102.3 Ų | 102.3 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 176.6 | -173.9 | 178 | -169.5 | 0 | 0 | 111.4 | A271 R272 Q278 L279 | A271-E275 PolarHBondContact O-N 3.42Å; R272-E275 PolarHBondContact O-N 2.79Å; E275-Q278 PolarHBondContact O-N 3.13Å; E275-L279 WeakPolarHBondContact O-CB 3.43Å; E275-L279 PolarHBondContact O-N 2.97Å |
| 276 | A | 94.9 | Very high | 91.8 | Very high | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R272 Q273 R274 L279 D280 | R272-A276 WeakPolarHBondContact O-CB 3.35Å; R272-A276 PolarHBondContact O-N 2.92Å; Q273-A276 PolarHBondContact O-N 3.07Å; R274-A276 VanDerWaalsContact C-N 3.34Å; A276-L279 PolarHBondContact O-N 3.36Å; A276-D280 PolarHBondContact O-N 3Å |
| 277 | A | 95 | Very high | 90.9 | Very high | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q273 R274 L279 D280 E281 | Q273-A277 WeakPolarHBondContact O-CB 3.23Å; Q273-A277 PolarHBondContact O-N 3.13Å; R274-A277 PolarHBondContact O-N 3.15Å; A277-L279 VanDerWaalsContact C-N 3.31Å; A277-L279 PolarHBondContact O-N 3.09Å; A277-D280 PolarHBondContact O-N 3.16Å; A277-E281 WeakPolarHBondContact O-CB 3.3Å; A277-E281 PolarHBondContact O-N 3.26Å |
| 278 | Q | 94.2 | Very high | 90 | Very high | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -37.1 | 174.6 | -74.8 | 173.9 | 13.4 | 0 | 0 | 112 | R274 E275 A282 | R274-Q278 WeakPolarHBondContact O-CB 3.36Å; R274-Q278 VanDerWaalsContact O-CG 3.29Å; R274-Q278 WeakPolarHBondContact O-CG 3.35Å; R274-Q278 PolarHBondContact O-N 3.38Å; E275-Q278 PolarHBondContact O-N 3.13Å; Q278-A282 VanDerWaalsContact O-CB 3.25Å; Q278-A282 WeakPolarHBondContact O-CB 3.11Å; Q278-A282 PolarHBondContact O-N 3.32Å |
| 279 | L | 91.1 | Very high | 88.6 | Confident | 131 Ų | 131 | 106.8 Ų | 106.8 | 69% | 0.686 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -38.7 | 175.8 | -171.7 | 68.7 | 0 | 0 | 0 | 111.7 | E275 A276 A277 W283 | E275-L279 WeakPolarHBondContact O-CB 3.43Å; E275-L279 PolarHBondContact O-N 2.97Å; A276-L279 PolarHBondContact O-N 3.36Å; A277-L279 VanDerWaalsContact C-N 3.31Å; A277-L279 PolarHBondContact O-N 3.09Å; L279-W283 WeakPolarHBondContact O-CB 3.46Å; L279-W283 PolarHBondContact O-N 2.91Å |
| 280 | D | 90.5 | Very high | 86.8 | Confident | 94 Ų | 94 | 104.2 Ų | 104.2 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 175.5 | -166.2 | 69.7 | 0 | 0 | 0 | 111.5 | A276 A277 W283 N284 | A276-D280 PolarHBondContact O-N 3Å; A277-D280 PolarHBondContact O-N 3.16Å; D280-W283 PolarHBondContact O-N 3.24Å; D280-N284 WeakPolarHBondContact O-CB 3.22Å; D280-N284 VanDerWaalsContact O-CG 3.23Å; D280-N284 PolarHBondContact O-N 3.12Å; D280-N284 PolarHBondContact O-ND2 3.45Å; D280-N284 VanDerWaalsContact O-ND2 3.14Å; D280-N284 PolarHBondContact OD2-ND2 3.19Å |
| 281 | E | 90 | Very high | 85.2 | Confident | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -47.2 | 174.3 | -172.8 | 173 | -161.1 | 0 | 0 | 111.5 | A277 W283 N284 D285 | A277-E281 WeakPolarHBondContact O-CB 3.3Å; A277-E281 PolarHBondContact O-N 3.26Å; E281-W283 VanDerWaalsContact C-N 3.29Å; E281-W283 PolarHBondContact O-N 3.07Å; E281-N284 PolarHBondContact O-N 2.64Å; E281-D285 PolarHBondContact O-N 3Å |
| 282 | A | 88.6 | Confident | 83.3 | Confident | 56 Ų | 56 | 102.6 Ų | 102.6 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q278 E286 | Q278-A282 VanDerWaalsContact O-CB 3.25Å; Q278-A282 WeakPolarHBondContact O-CB 3.11Å; Q278-A282 PolarHBondContact O-N 3.32Å; A282-E286 WeakPolarHBondContact O-CB 3.17Å; A282-E286 PolarHBondContact O-N 3.13Å; A282-E286 VanDerWaalsContact O-N 3.1Å |
| 283 | W | 83.3 | Confident | 81.7 | Confident | 162 Ų | 162 | 99.2 Ų | 99.2 | 61% | 0.614 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70 | -42.7 | 174.1 | -176.7 | 79.3 | 0 | 0 | 0 | 111.4 | L279 D280 E281 E286 V287 | L279-W283 WeakPolarHBondContact O-CB 3.46Å; L279-W283 PolarHBondContact O-N 2.91Å; D280-W283 PolarHBondContact O-N 3.24Å; E281-W283 VanDerWaalsContact C-N 3.29Å; E281-W283 PolarHBondContact O-N 3.07Å; W283-E286 PolarHBondContact O-N 3.21Å; W283-V287 HydrophobicContact CD2-CG2 4.12Å; W283-V287 HydrophobicContact CE3-CG2 4.4Å; W283-V287 HydrophobicContact CH2-CG2 4.21Å; W283-V287 HydrophobicContact CZ2-CG2 3.92Å; W283-V287 HydrophobicContact CZ3-CG2 4.44Å; W283-V287 VanDerWaalsContact O-CG2 3.26Å; W283-V287 WeakPolarHBondContact O-CG2 3.45Å; W283-V287 PolarHBondContact O-N 2.84Å |
| 284 | N | 83.3 | Confident | 80.3 | Confident | 70 Ų | 70 | 95.6 Ų | 95.6 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.3 | -71.5 | -34 | 0 | 0 | 0 | 111.7 | D280 E281 V287 A288 | D280-N284 WeakPolarHBondContact O-CB 3.22Å; D280-N284 VanDerWaalsContact O-CG 3.23Å; D280-N284 PolarHBondContact O-N 3.12Å; D280-N284 PolarHBondContact O-ND2 3.45Å; D280-N284 VanDerWaalsContact O-ND2 3.14Å; D280-N284 PolarHBondContact OD2-ND2 3.19Å; E281-N284 PolarHBondContact O-N 2.64Å; N284-V287 PolarHBondContact O-N 3.47Å; N284-A288 WeakPolarHBondContact O-CB 3.41Å; N284-A288 PolarHBondContact O-N 3.41Å |
| 285 | D | 82.7 | Confident | 78.8 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.5 | -78.4 | -12.7 | 0 | 0 | 0 | 112.2 | E281 V287 A288 F289 | E281-D285 PolarHBondContact O-N 3Å; D285-V287 VanDerWaalsContact C-N 3.3Å; D285-V287 PolarHBondContact O-N 2.95Å; D285-A288 PolarHBondContact O-N 3.46Å; D285-F289 VanDerWaalsContact O-CB 3.26Å; D285-F289 WeakPolarHBondContact O-CB 3.45Å; D285-F289 PolarHBondContact O-N 3.44Å |
| 286 | E | 78 | Confident | 77.6 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 176 | -175.5 | 68 | -152.5 | 0 | 0 | 111.4 | A282 W283 G291 | A282-E286 WeakPolarHBondContact O-CB 3.17Å; A282-E286 PolarHBondContact O-N 3.13Å; A282-E286 VanDerWaalsContact O-N 3.1Å; W283-E286 PolarHBondContact O-N 3.21Å; E286-G291 VanDerWaalsContact O-CA 3.26Å; E286-G291 WeakPolarHBondContact O-CA 3.49Å; E286-G291 PolarHBondContact O-N 2.93Å; E286-G291 WeakPolarHBondContact OE1-CA 3.49Å |
| 287 | V | 76.3 | Confident | 76.6 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 173.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | W283 N284 D285 G290 | W283-V287 HydrophobicContact CD2-CG2 4.12Å; W283-V287 HydrophobicContact CE3-CG2 4.4Å; W283-V287 HydrophobicContact CH2-CG2 4.21Å; W283-V287 HydrophobicContact CZ2-CG2 3.92Å; W283-V287 HydrophobicContact CZ3-CG2 4.44Å; W283-V287 VanDerWaalsContact O-CG2 3.26Å; W283-V287 WeakPolarHBondContact O-CG2 3.45Å; W283-V287 PolarHBondContact O-N 2.84Å; N284-V287 PolarHBondContact O-N 3.47Å; D285-V287 VanDerWaalsContact C-N 3.3Å; D285-V287 PolarHBondContact O-N 2.95Å; V287-G290 PolarHBondContact O-N 3.01Å |
| 288 | A | 78.3 | Confident | 75.7 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 69% | 0.694 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.7 | -34.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N284 D285 G290 | N284-A288 WeakPolarHBondContact O-CB 3.41Å; N284-A288 PolarHBondContact O-N 3.41Å; D285-A288 PolarHBondContact O-N 3.46Å; A288-G290 PolarHBondContact O-N 2.96Å; A288-G290 VanDerWaalsContact O-N 3.08Å |
| 289 | F | 66.4 | Low | 74.9 | Confident | 189 Ų | 189 | 96.5 Ų | 96.5 | 83% | 0.829 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 3.4 | 176.6 | -168.5 | -103.6 | 0 | 0 | 0 | 113 | D285 G291 | D285-F289 VanDerWaalsContact O-CB 3.26Å; D285-F289 WeakPolarHBondContact O-CB 3.45Å; D285-F289 PolarHBondContact O-N 3.44Å; F289-G291 VanDerWaalsContact C-N 3.32Å |
| 290 | G | 58.6 | Low | 74.5 | Confident | 35 Ų | 35 | 96.2 Ų | 96.2 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 34.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V287 A288 S294 | V287-G290 PolarHBondContact O-N 3.01Å; A288-G290 PolarHBondContact O-N 2.96Å; A288-G290 VanDerWaalsContact O-N 3.08Å; G290-S294 WeakPolarHBondContact O-CB 3.49Å |
| 291 | G | 62.2 | Low | 74.1 | Confident | 11 Ų | 11 | 97 Ų | 97 | 11% | 0.113 | 51% | 0.508 | C | S | . | . | trans | -57.7 | -174.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E286 F289 A293 S294 Q295 | E286-G291 VanDerWaalsContact O-CA 3.26Å; E286-G291 WeakPolarHBondContact O-CA 3.49Å; E286-G291 PolarHBondContact O-N 2.93Å; E286-G291 WeakPolarHBondContact OE1-CA 3.49Å; F289-G291 VanDerWaalsContact C-N 3.32Å; G291-A293 CarbonylContact O-C 3.52Å; G291-A293 PolarHBondContact O-N 3.3Å; G291-S294 PolarHBondContact O-N 3.25Å; G291-Q295 PolarHBondContact O-N 2.89Å | ||
| 292 | I | 55.9 | Low | 73.8 | Confident | 106 Ų | 106 | 94 Ų | 94 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -36.1 | -36.8 | -169.2 | -81.1 | 152.6 | 0 | 0 | 0 | 115.4 | Q295 W296 | I292-Q295 PolarHBondContact O-N 2.74Å; I292-W296 HydrophobicContact CG2-CG 4.29Å; I292-W296 VanDerWaalsContact O-CB 3.27Å; I292-W296 WeakPolarHBondContact O-CB 3.23Å; I292-W296 VanDerWaalsContact O-CG 3.25Å; I292-W296 PolarHBondContact O-N 3.09Å |
| 293 | A | 63.2 | Low | 73.6 | Confident | 72 Ų | 72 | 95 Ų | 95 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G291 W296 S297 | G291-A293 CarbonylContact O-C 3.52Å; G291-A293 PolarHBondContact O-N 3.3Å; A293-W296 PolarHBondContact O-N 3.11Å; A293-S297 WeakPolarHBondContact O-CB 3.47Å; A293-S297 PolarHBondContact O-N 3.49Å |
| 294 | S | 65.3 | Low | 73.6 | Confident | 43 Ų | 43 | 91.4 Ų | 91.4 | 30% | 0.301 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 175.7 | -165 | 0 | 0 | 0 | 0 | 111 | G290 G291 W296 S297 E298 | G290-S294 WeakPolarHBondContact O-CB 3.49Å; G291-S294 PolarHBondContact O-N 3.25Å; S294-W296 VanDerWaalsContact C-N 3.3Å; S294-W296 PolarHBondContact O-N 3.48Å; S294-S297 PolarHBondContact O-N 2.91Å; S294-S297 PolarHBondContact O-OG 3.48Å; S294-S297 VanDerWaalsContact O-OG 3.07Å; S294-E298 WeakPolarHBondContact O-CB 3.45Å; S294-E298 WeakPolarHBondContact O-CG 3.38Å; S294-E298 PolarHBondContact O-N 3.28Å |
| 295 | Q | 62.6 | Low | 73.6 | Confident | 116 Ų | 116 | 94.4 Ų | 94.4 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 177.1 | -152 | 174.8 | 57.8 | 0 | 0 | 111.8 | G291 I292 Q299 | G291-Q295 PolarHBondContact O-N 2.89Å; I292-Q295 PolarHBondContact O-N 2.74Å; Q295-Q299 WeakPolarHBondContact O-CB 3.28Å; Q295-Q299 WeakPolarHBondContact O-CG 3.46Å; Q295-Q299 PolarHBondContact O-N 3.46Å |
| 296 | W | 69.3 | Low | 73.6 | Confident | 145 Ų | 145 | 95.9 Ų | 95.9 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.4 | -36.9 | 174.4 | -75.3 | 41.7 | 0 | 0 | 0 | 111.4 | I292 A293 S294 Q299 F300 | I292-W296 HydrophobicContact CG2-CG 4.29Å; I292-W296 VanDerWaalsContact O-CB 3.27Å; I292-W296 WeakPolarHBondContact O-CB 3.23Å; I292-W296 VanDerWaalsContact O-CG 3.25Å; I292-W296 PolarHBondContact O-N 3.09Å; A293-W296 PolarHBondContact O-N 3.11Å; S294-W296 VanDerWaalsContact C-N 3.3Å; S294-W296 PolarHBondContact O-N 3.48Å; W296-Q299 PolarHBondContact O-N 2.81Å; W296-F300 HydrophobicContact CB-CD2 4.29Å; W296-F300 HydrophobicContact CB-CE2 4.4Å; W296-F300 AromaticContact CE3-CE2 3.83Å; W296-F300 HydrophobicContact CE3-CE2 3.83Å; W296-F300 HydrophobicContact CE3-CZ 4.46Å; W296-F300 VanDerWaalsContact O-CB 3.31Å; W296-F300 WeakPolarHBondContact O-CB 3.28Å; W296-F300 WeakPolarHBondContact O-CD2 3.24Å; W296-F300 PolarHBondContact O-N 3.19Å |
| 297 | S | 73.3 | Confident | 73.7 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 36% | 0.357 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 176.7 | 79.5 | 0 | 0 | 0 | 0 | 111.2 | A293 S294 Q299 F300 E301 | A293-S297 WeakPolarHBondContact O-CB 3.47Å; A293-S297 PolarHBondContact O-N 3.49Å; S294-S297 PolarHBondContact O-N 2.91Å; S294-S297 PolarHBondContact O-OG 3.48Å; S294-S297 VanDerWaalsContact O-OG 3.07Å; S297-Q299 PolarHBondContact O-N 3.24Å; S297-F300 PolarHBondContact O-N 3.46Å; S297-E301 VanDerWaalsContact O-CB 3.28Å; S297-E301 WeakPolarHBondContact O-CB 3.37Å; S297-E301 WeakPolarHBondContact O-CG 3.26Å; S297-E301 PolarHBondContact O-N 2.96Å |
| 298 | E | 76 | Confident | 73.9 | Confident | 127 Ų | 127 | 96.6 Ų | 96.6 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 175.1 | -73.9 | 178 | -170.9 | 0 | 0 | 111.7 | S294 A302 | S294-E298 WeakPolarHBondContact O-CB 3.45Å; S294-E298 WeakPolarHBondContact O-CG 3.38Å; S294-E298 PolarHBondContact O-N 3.28Å; E298-A302 WeakPolarHBondContact O-CB 3.43Å; E298-A302 PolarHBondContact O-N 3.45Å |
| 299 | Q | 78.2 | Confident | 73.7 | Confident | 126 Ų | 126 | 93.8 Ų | 93.8 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 175.7 | -81.9 | -177.9 | -7.9 | 0 | 0 | 112.4 | Q295 W296 S297 A302 E303 | Q295-Q299 WeakPolarHBondContact O-CB 3.28Å; Q295-Q299 WeakPolarHBondContact O-CG 3.46Å; Q295-Q299 PolarHBondContact O-N 3.46Å; W296-Q299 PolarHBondContact O-N 2.81Å; S297-Q299 PolarHBondContact O-N 3.24Å; Q299-A302 PolarHBondContact O-N 3.35Å; Q299-E303 VanDerWaalsContact O-CB 3.31Å; Q299-E303 WeakPolarHBondContact O-CB 3.47Å; Q299-E303 PolarHBondContact O-N 3.16Å |
| 300 | F | 81.4 | Confident | 74.2 | Confident | 126 Ų | 126 | 91.3 Ų | 91.3 | 55% | 0.553 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 177.1 | -84.1 | -61.2 | 0 | 0 | 0 | 111.8 | W296 S297 A302 E303 I304 | W296-F300 HydrophobicContact CB-CD2 4.29Å; W296-F300 HydrophobicContact CB-CE2 4.4Å; W296-F300 AromaticContact CE3-CE2 3.83Å; W296-F300 HydrophobicContact CE3-CE2 3.83Å; W296-F300 HydrophobicContact CE3-CZ 4.46Å; W296-F300 VanDerWaalsContact O-CB 3.31Å; W296-F300 WeakPolarHBondContact O-CB 3.28Å; W296-F300 WeakPolarHBondContact O-CD2 3.24Å; W296-F300 PolarHBondContact O-N 3.19Å; S297-F300 PolarHBondContact O-N 3.46Å; F300-A302 VanDerWaalsContact C-N 3.35Å; F300-E303 PolarHBondContact O-N 2.57Å; F300-I304 WeakPolarHBondContact O-CB 3.41Å; F300-I304 WeakPolarHBondContact O-CG1 3.24Å; F300-I304 PolarHBondContact O-N 3.48Å |
| 301 | E | 82.1 | Confident | 74.7 | Confident | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 175.1 | -78.9 | -176.3 | -165.1 | 0 | 0 | 111.8 | S297 I304 K305 | S297-E301 VanDerWaalsContact O-CB 3.28Å; S297-E301 WeakPolarHBondContact O-CB 3.37Å; S297-E301 WeakPolarHBondContact O-CG 3.26Å; S297-E301 PolarHBondContact O-N 2.96Å; E301-I304 PolarHBondContact O-N 2.95Å; E301-K305 WeakPolarHBondContact O-CB 3.5Å; E301-K305 WeakPolarHBondContact O-CG 3.46Å; E301-K305 PolarHBondContact O-N 3.33Å |
| 302 | A | 84 | Confident | 74.9 | Confident | 59 Ų | 59 | 102.2 Ų | 102.2 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E298 Q299 F300 K305 R306 | E298-A302 WeakPolarHBondContact O-CB 3.43Å; E298-A302 PolarHBondContact O-N 3.45Å; Q299-A302 PolarHBondContact O-N 3.35Å; F300-A302 VanDerWaalsContact C-N 3.35Å; A302-K305 PolarHBondContact O-N 3.36Å; A302-R306 WeakPolarHBondContact O-CB 3.23Å; A302-R306 PolarHBondContact O-N 3.02Å |
| 303 | E | 84.4 | Confident | 75 | Confident | 77 Ų | 77 | 100.5 Ų | 100.5 | 36% | 0.36 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.1 | -171.3 | 68.4 | -170.4 | 0 | 0 | 111.5 | Q299 F300 R306 L307 | Q299-E303 VanDerWaalsContact O-CB 3.31Å; Q299-E303 WeakPolarHBondContact O-CB 3.47Å; Q299-E303 PolarHBondContact O-N 3.16Å; F300-E303 PolarHBondContact O-N 2.57Å; E303-R306 VanDerWaalsContact CD-NH1 3.34Å; E303-R306 PolarHBondContact O-N 3.28Å; E303-R306 IonicContact OE1-CZ 3.63Å; E303-R306 IonicContact OE1-NH1 3.32Å; E303-R306 PolarHBondContact OE1-NH1 2.95Å; E303-R306 IonicContact OE1-NH2 3.53Å; E303-R306 PolarHBondContact OE1-NH2 2.84Å; E303-R306 IonicContact OE2-CZ 3.63Å; E303-R306 IonicContact OE2-NH1 2.82Å; E303-R306 PolarHBondContact OE2-NH1 2.95Å; E303-R306 IonicContact OE2-NH2 3.25Å; E303-L307 HydrophobicContact CG-CD1 4.3Å; E303-L307 WeakPolarHBondContact O-CB 3.42Å; E303-L307 VanDerWaalsContact O-CG 3.29Å; E303-L307 WeakPolarHBondContact O-CG 3.42Å; E303-L307 PolarHBondContact O-N 2.8Å |
| 304 | I | 83.6 | Confident | 74.6 | Confident | 87 Ų | 87 | 102.3 Ų | 102.3 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -50 | 174.2 | -71.6 | 168.1 | 0 | 0 | 0 | 110.1 | F300 E301 R306 L307 E308 | F300-I304 WeakPolarHBondContact O-CB 3.41Å; F300-I304 WeakPolarHBondContact O-CG1 3.24Å; F300-I304 PolarHBondContact O-N 3.48Å; E301-I304 PolarHBondContact O-N 2.95Å; I304-R306 VanDerWaalsContact C-N 3.26Å; I304-R306 PolarHBondContact O-N 3.47Å; I304-L307 PolarHBondContact O-N 3.3Å; I304-L307 VanDerWaalsContact O-N 3.13Å; I304-E308 HydrophobicContact CG2-CG 4.2Å; I304-E308 WeakPolarHBondContact O-CB 3.49Å; I304-E308 WeakPolarHBondContact O-CG 3.43Å; I304-E308 PolarHBondContact O-N 3.45Å |
| 305 | K | 83.9 | Confident | 73.9 | Confident | 132 Ų | 132 | 107.3 Ų | 107.3 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -36.4 | 176.6 | -78.6 | 173.1 | -178.3 | 159.7 | 0 | 112.4 | E301 A302 A309 | E301-K305 WeakPolarHBondContact O-CB 3.5Å; E301-K305 WeakPolarHBondContact O-CG 3.46Å; E301-K305 PolarHBondContact O-N 3.33Å; A302-K305 PolarHBondContact O-N 3.36Å; K305-A309 VanDerWaalsContact O-CB 3.29Å; K305-A309 WeakPolarHBondContact O-CB 3.13Å; K305-A309 PolarHBondContact O-N 2.96Å |
| 306 | R | 82.6 | Confident | 73.5 | Confident | 134 Ų | 134 | 108.2 Ų | 108.2 | 51% | 0.506 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -46.5 | 175.3 | -164 | -168.5 | 82.8 | -142.6 | -8.5 | 111 | A302 E303 I304 A309 E310 | A302-R306 WeakPolarHBondContact O-CB 3.23Å; A302-R306 PolarHBondContact O-N 3.02Å; E303-R306 VanDerWaalsContact CD-NH1 3.34Å; E303-R306 PolarHBondContact O-N 3.28Å; E303-R306 IonicContact OE1-CZ 3.63Å; E303-R306 IonicContact OE1-NH1 3.32Å; E303-R306 PolarHBondContact OE1-NH1 2.95Å; E303-R306 IonicContact OE1-NH2 3.53Å; E303-R306 PolarHBondContact OE1-NH2 2.84Å; E303-R306 IonicContact OE2-CZ 3.63Å; E303-R306 IonicContact OE2-NH1 2.82Å; E303-R306 PolarHBondContact OE2-NH1 2.95Å; E303-R306 IonicContact OE2-NH2 3.25Å; I304-R306 VanDerWaalsContact C-N 3.26Å; I304-R306 PolarHBondContact O-N 3.47Å; R306-A309 PolarHBondContact O-N 3.43Å; R306-E310 WeakPolarHBondContact O-CB 3.18Å; R306-E310 PolarHBondContact O-N 3.16Å |
| 307 | L | 80.6 | Confident | 72.8 | Confident | 89 Ų | 89 | 108.4 Ų | 108.4 | 47% | 0.466 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.6 | -36.8 | 177.9 | -70.2 | 170.1 | 0 | 0 | 0 | 112.1 | E303 I304 E310 L311 | E303-L307 HydrophobicContact CG-CD1 4.3Å; E303-L307 WeakPolarHBondContact O-CB 3.42Å; E303-L307 VanDerWaalsContact O-CG 3.29Å; E303-L307 WeakPolarHBondContact O-CG 3.42Å; E303-L307 PolarHBondContact O-N 2.8Å; I304-L307 PolarHBondContact O-N 3.3Å; I304-L307 VanDerWaalsContact O-N 3.13Å; L307-E310 PolarHBondContact O-N 2.89Å; L307-L311 WeakPolarHBondContact O-CB 3.03Å; L307-L311 PolarHBondContact O-N 3.42Å |
| 308 | E | 79 | Confident | 71.8 | Confident | 109 Ų | 109 | 112.6 Ų | 112.6 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -46.6 | 173.1 | -74.7 | 174.7 | 165.8 | 0 | 0 | 111.2 | I304 E310 L311 D312 | I304-E308 HydrophobicContact CG2-CG 4.2Å; I304-E308 WeakPolarHBondContact O-CB 3.49Å; I304-E308 WeakPolarHBondContact O-CG 3.43Å; I304-E308 PolarHBondContact O-N 3.45Å; E308-E310 VanDerWaalsContact C-N 3.32Å; E308-E310 PolarHBondContact O-N 2.89Å; E308-L311 PolarHBondContact O-N 2.67Å; E308-L311 VanDerWaalsContact O-N 3.15Å; E308-D312 WeakPolarHBondContact O-CB 3.09Å; E308-D312 PolarHBondContact O-N 3.34Å |
| 309 | A | 74.1 | Confident | 70.2 | Confident | 25 Ų | 25 | 111.9 Ų | 111.9 | 21% | 0.207 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -64.5 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K305 R306 L311 G313 L316 | K305-A309 VanDerWaalsContact O-CB 3.29Å; K305-A309 WeakPolarHBondContact O-CB 3.13Å; K305-A309 PolarHBondContact O-N 2.96Å; R306-A309 PolarHBondContact O-N 3.43Å; A309-L311 VanDerWaalsContact C-N 3.35Å; A309-G313 PolarHBondContact O-N 3.06Å; A309-L316 HydrophobicContact CB-CD1 3.8Å |
| 310 | E | 77.6 | Confident | 68.8 | Low | 137 Ų | 137 | 112.4 Ų | 112.4 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.4 | -35.2 | 173.7 | -171.6 | 171.9 | -175.4 | 0 | 0 | 111.6 | R306 L307 E308 | R306-E310 WeakPolarHBondContact O-CB 3.18Å; R306-E310 PolarHBondContact O-N 3.16Å; L307-E310 PolarHBondContact O-N 2.89Å; E308-E310 VanDerWaalsContact C-N 3.32Å; E308-E310 PolarHBondContact O-N 2.89Å |
| 311 | L | 68.6 | Low | 67.1 | Low | 155 Ų | 155 | 114.2 Ų | 114.2 | 81% | 0.812 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.8 | -32 | 177.4 | -161.8 | 68.5 | 0 | 0 | 0 | 113 | L307 E308 A309 G313 | L307-L311 WeakPolarHBondContact O-CB 3.03Å; L307-L311 PolarHBondContact O-N 3.42Å; E308-L311 PolarHBondContact O-N 2.67Å; E308-L311 VanDerWaalsContact O-N 3.15Å; A309-L311 VanDerWaalsContact C-N 3.35Å; L311-G313 VanDerWaalsContact C-N 3.35Å |
| 312 | D | 66.2 | Low | 65.2 | Low | 121 Ų | 121 | 118.1 Ų | 118.1 | 65% | 0.647 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -3 | 178.7 | -79.1 | -16.8 | 0 | 0 | 0 | 114 | E308 I314 | E308-D312 WeakPolarHBondContact O-CB 3.09Å; E308-D312 PolarHBondContact O-N 3.34Å; D312-I314 VanDerWaalsContact C-N 3.31Å; D312-I314 HydrophobicContact CB-CD1 4.19Å; D312-I314 HydrophobicContact CB-CG1 4.14Å; D312-I314 PolarHBondContact O-N 2.96Å |
| 313 | G | 58.3 | Low | 62.9 | Low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 25.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A309 L311 | A309-G313 PolarHBondContact O-N 3.06Å; L311-G313 VanDerWaalsContact C-N 3.35Å |
| 314 | I | 55.7 | Low | 60.9 | Low | 111 Ų | 111 | 123.2 Ų | 123.2 | 57% | 0.569 | 66% | 0.66 | S | S | * | * | trans | -93.4 | 109.8 | -177.8 | -47.9 | 177.5 | 0 | 0 | 0 | 109.3 | D312 L316 | D312-I314 VanDerWaalsContact C-N 3.31Å; D312-I314 HydrophobicContact CB-CD1 4.19Å; D312-I314 HydrophobicContact CB-CG1 4.14Å; D312-I314 PolarHBondContact O-N 2.96Å; I314-L316 PolarHBondContact O-N 3.14Å | ||
| 315 | N | 49.8 | Very low | 59 | Low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -71.5 | 106.7 | 178.6 | -140.5 | -23.1 | 0 | 0 | 0 | 109.6 | ||||
| 316 | L | 55.6 | Low | 56.9 | Low | 135 Ų | 135 | 126 Ų | 126 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | trans | -92.5 | 16 | -169.5 | -94.3 | 147.4 | 0 | 0 | 0 | 114.7 | A309 I314 D318 | A309-L316 HydrophobicContact CB-CD1 3.8Å; I314-L316 PolarHBondContact O-N 3.14Å; L316-D318 PolarHBondContact O-N 3.41Å | ||
| 317 | D | 53.6 | Low | 54.8 | Low | 150 Ų | 150 | 125.9 Ų | 125.9 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | -89.7 | 71.2 | 176.1 | -69.2 | -35.7 | 0 | 0 | 0 | 111.9 | ||||
| 318 | D | 52.2 | Low | 53.4 | Low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | -146.8 | 107.6 | 160.1 | -160 | 1.8 | 0 | 0 | 0 | 113.2 | L316 | L316-D318 PolarHBondContact O-N 3.41Š| ||
| 319 | P | 43.6 | Very low | 51.5 | Low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -101.6 | 93.4 | -174.7 | 34.4 | -29 | 0 | 0 | 0 | 113.5 | ||||
| 320 | L | 48.2 | Very low | 50.7 | Low | 137 Ų | 137 | 134.8 Ų | 134.8 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -146.3 | 116.9 | 167.5 | -77 | 177.2 | 0 | 0 | 0 | 115.8 | ||||
| 321 | Q | 45.9 | Very low | 49.6 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | 74 | 102.9 | 139.1 | -60.3 | -173 | 15.1 | 0 | 0 | 118.8 | ||||
| 322 | K | 42.1 | Very low | 48.8 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | 88.7 | 122.2 | 82.1 | -101.1 | -176.4 | -179.6 | 177.2 | 0 | 114.2 | |||||
| 323 | S | 35.8 | Very low | 48 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 68.2 | 108.4 | 148 | 63 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 324 | S | 42.5 | Very low | 47.5 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | -151.7 | 154.6 | 122.6 | -152.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 325 | K | 42.7 | Very low | 47 | Very low | 199 Ų | 199 | 138.5 Ų | 138.5 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -112 | 134.3 | -150.2 | -177 | 174.4 | -178.9 | 170.3 | 0 | 108.5 | ||||
| 326 | G | 40.6 | Very low | 47 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -149.3 | 87.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 327 | N | 39 | Very low | 46.3 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -79.8 | 135.3 | 160.6 | -101.4 | 35.8 | 0 | 0 | 0 | 108.1 | D329 | N327-D329 PolarHBondContact ND2-OD2 3.43Š| ||
| 328 | L | 50.2 | Low | 46.2 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -137.7 | 98.3 | 159.3 | -96.7 | 158.9 | 0 | 0 | 0 | 106.5 | ||||
| 329 | D | 40.2 | Very low | 46.2 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -96.8 | 123.3 | 163.9 | -62.6 | -63.7 | 0 | 0 | 0 | 106.7 | N327 | N327-D329 PolarHBondContact ND2-OD2 3.43Š| ||
| 330 | A | 56.7 | Low | 46.5 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -179.4 | 142.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 331 | D | 54.7 | Low | 46.6 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | cis | -170.8 | 164.6 | -7.3 | -175.6 | 22.6 | 0 | 0 | 0 | 104.9 | ||||
| 332 | D | 52.3 | Low | 46.8 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -48.2 | 150.7 | -174.3 | -79 | -51.4 | 0 | 0 | 0 | 118.6 | ||||
| 333 | G | 48.8 | Very low | 47.3 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | 104.7 | 109.2 | 127.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 334 | D | 47.3 | Very low | 47.9 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -160.9 | 140.1 | 113.5 | -155.8 | 0.2 | 0 | 0 | 0 | 111.4 | |||||
| 335 | N | 44.6 | Very low | 48.4 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | -120.3 | 112 | -171.3 | -179.1 | 38 | 0 | 0 | 0 | 106.8 | ||||
| 336 | S | 50.9 | Low | 49 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -129.3 | 100.3 | 165.2 | 60.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 337 | N | 41.1 | Very low | 49.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | -58 | 142.2 | 151.5 | -64.3 | -53.1 | 0 | 0 | 0 | 108.8 | ||||
| 338 | D | 50.4 | Low | 50.4 | Low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -172.7 | 102.1 | 147.3 | -81.9 | -22.7 | 0 | 0 | 0 | 103.1 | ||||
| 339 | D | 52.1 | Low | 50.5 | Low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | 116.4 | 101.1 | 87.8 | -81.7 | -20.9 | 0 | 0 | 0 | 105.2 | |||||
| 340 | D | 50.2 | Low | 51.2 | Low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | 62.4 | 103.3 | 99.6 | -77.7 | -15.6 | 0 | 0 | 0 | 112.2 | |||||
| 341 | D | 51.2 | Low | 51.1 | Low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | -171.6 | 106.8 | 126.8 | -92 | -28.2 | 0 | 0 | 0 | 109.9 | |||||
| 342 | D | 50.3 | Low | 51.2 | Low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -64.5 | 168.3 | 164.3 | -80.1 | -54.8 | 0 | 0 | 0 | 111.6 | ||||
| 343 | D | 51.1 | Low | 51.6 | Low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | 96.1 | 89.2 | 167.2 | -57.4 | -33.9 | 0 | 0 | 0 | 117 | ||||
| 344 | D | 49.9 | Very low | 52.4 | Low | 127 Ų | 127 | 131.5 Ų | 131.5 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | trans | -165.5 | 67 | 145 | -100.6 | -25.9 | 0 | 0 | 0 | 111.8 | D346 T347 | D344-D346 PolarHBondContact O-N 2.99Å; D344-T347 PolarHBondContact O-N 3.39Å; D344-T347 PolarHBondContact O-OG1 2.97Å | ||
| 345 | D | 53.5 | Low | 53.5 | Low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -6.7 | 171.5 | -165.4 | 30.2 | 0 | 0 | 0 | 112.8 | ||
| 346 | D | 55.2 | Low | 55.4 | Low | 139 Ų | 139 | 123.7 Ų | 123.7 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -9.8 | 177.3 | -73.5 | -30.6 | 0 | 0 | 0 | 113.7 | D344 | D344-D346 PolarHBondContact O-N 2.99Š|
| 347 | T | 54.4 | Low | 57.2 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 41% | 0.411 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -79 | -23.9 | -173.1 | -52.3 | 0 | 0 | 0 | 0 | 113.6 | D344 M351 | D344-T347 PolarHBondContact O-N 3.39Å; D344-T347 PolarHBondContact O-OG1 2.97Å; T347-M351 HydrophobicContact CG2-CG 4.49Å; T347-M351 HydrophobicContact CG2-SD 4.15Å; T347-M351 WeakPolarHBondContact O-CG 3.49Å; T347-M351 PolarHBondContact O-N 2.84Å |
| 348 | V | 52.7 | Low | 59.5 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76 | -25.8 | -176.1 | -84.3 | 0 | 0 | 0 | 0 | 113.9 | M352 | V348-M352 WeakPolarHBondContact O-CG 3.46Å |
| 349 | E | 53.2 | Low | 61.2 | Low | 162 Ų | 162 | 114.3 Ų | 114.3 | 76% | 0.757 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.5 | -34.5 | 179 | -121 | -174.5 | -173.9 | 0 | 0 | 112.8 | N353 | E349-N353 PolarHBondContact O-N 3.17Å |
| 350 | E | 54.9 | Low | 62.9 | Low | 152 Ų | 152 | 108.2 Ų | 108.2 | 71% | 0.71 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.6 | -38.9 | 173.9 | -83 | -169.1 | 155.6 | 0 | 0 | 112.2 | M352 N353 D354 | E350-M352 VanDerWaalsContact C-N 3.3Å; E350-M352 PolarHBondContact O-N 2.93Å; E350-N353 PolarHBondContact O-N 2.93Å; E350-D354 PolarHBondContact O-N 3.29Å |
| 351 | M | 55.2 | Low | 64.8 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.7 | -30.6 | 177.5 | -70.9 | -178.7 | 72.6 | 0 | 0 | 113.5 | T347 Q355 | T347-M351 HydrophobicContact CG2-CG 4.49Å; T347-M351 HydrophobicContact CG2-SD 4.15Å; T347-M351 WeakPolarHBondContact O-CG 3.49Å; T347-M351 PolarHBondContact O-N 2.84Å; M351-Q355 WeakPolarHBondContact O-CG 3.39Å |
| 352 | M | 56.7 | Low | 66.5 | Low | 124 Ų | 124 | 100.5 Ų | 100.5 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.7 | -31 | 175.5 | -75.3 | -119.9 | -139.6 | 0 | 0 | 112.8 | V348 E350 Q355 L356 | V348-M352 WeakPolarHBondContact O-CG 3.46Å; E350-M352 VanDerWaalsContact C-N 3.3Å; E350-M352 PolarHBondContact O-N 2.93Å; M352-Q355 PolarHBondContact O-N 3.07Å; M352-L356 WeakPolarHBondContact O-CG 3.47Å; M352-L356 PolarHBondContact O-N 3.15Å |
| 353 | N | 60.9 | Low | 68.3 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72 | -36.1 | -179.8 | -86.1 | -18.7 | 0 | 0 | 0 | 112.5 | E349 E350 Q355 L356 Y357 | E349-N353 PolarHBondContact O-N 3.17Å; E350-N353 PolarHBondContact O-N 2.93Å; N353-Q355 VanDerWaalsContact C-N 3.34Å; N353-L356 PolarHBondContact O-N 3.12Å; N353-L356 VanDerWaalsContact O-N 3.14Å; N353-Y357 PolarHBondContact O-N 3.46Å |
| 354 | D | 65 | Low | 70.1 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 67% | 0.674 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.3 | -35.8 | 175 | -75.4 | -13.7 | 0 | 0 | 0 | 112 | E350 L356 Y357 | E350-D354 PolarHBondContact O-N 3.29Å; D354-L356 PolarHBondContact O-N 3.19Å; D354-L356 VanDerWaalsContact O-N 3.16Å; D354-Y357 PolarHBondContact O-N 3.13Å; D354-Y357 VanDerWaalsContact O-N 3.17Å |
| 355 | Q | 70.6 | Confident | 72 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -19.6 | 174.2 | -71.8 | 173.5 | 11.3 | 0 | 0 | 112.9 | M351 M352 N353 K371 | M351-Q355 WeakPolarHBondContact O-CG 3.39Å; M352-Q355 PolarHBondContact O-N 3.07Å; N353-Q355 VanDerWaalsContact C-N 3.34Å; Q355-K371 WeakPolarHBondContact O-CD 3.48Å; Q355-K371 WeakPolarHBondContact O-CE 3.23Å; Q355-K371 PolarHBondContact O-NZ 3.35Å |
| 356 | L | 85.2 | Confident | 73.6 | Confident | 28 Ų | 28 | 91.1 Ų | 91.1 | 15% | 0.147 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -3.4 | 179.4 | -70 | 173 | 0 | 0 | 0 | 114 | M352 N353 D354 F365 I368 | M352-L356 WeakPolarHBondContact O-CG 3.47Å; M352-L356 PolarHBondContact O-N 3.15Å; N353-L356 PolarHBondContact O-N 3.12Å; N353-L356 VanDerWaalsContact O-N 3.14Å; D354-L356 PolarHBondContact O-N 3.19Å; D354-L356 VanDerWaalsContact O-N 3.16Å; L356-F365 VanDerWaalsContact CB-O 3.3Å; L356-F365 WeakPolarHBondContact CB-O 3.47Å; L356-F365 WeakPolarHBondContact CD1-O 3.2Å; L356-F365 WeakPolarHBondContact CD2-O 3.48Å; L356-F365 WeakPolarHBondContact O-CD2 3.43Å; L356-F365 PolarHBondContact O-N 3.38Å; L356-I368 HydrophobicContact CD2-CG1 4.04Å; L356-I368 VanDerWaalsContact CD2-N 3.25Å |
| 357 | Y | 87.8 | Confident | 75.1 | Confident | 78 Ų | 78 | 87.4 Ų | 87.4 | 31% | 0.306 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143.4 | 177.2 | -175.1 | -115.3 | 0 | 0 | 0 | 112.8 | N353 D354 V359 D362 K363 L364 K371 | N353-Y357 PolarHBondContact O-N 3.46Å; D354-Y357 PolarHBondContact O-N 3.13Å; D354-Y357 VanDerWaalsContact O-N 3.17Å; Y357-V359 HydrophobicContact CD1-CG2 3.98Å; Y357-V359 HydrophobicContact CE1-CB 4.39Å; Y357-V359 HydrophobicContact CE1-CG2 3.96Å; Y357-D362 WeakPolarHBondContact OH-CA 3.3Å; Y357-D362 PolarHBondContact OH-OD1 3.32Å; Y357-K363 CarbonylContact C-O 3.55Å; Y357-L364 HydrophobicContact CD2-CD2 3.72Å; Y357-L364 HydrophobicContact CD2-CG 3.99Å; Y357-L364 HydrophobicContact CG-CD2 4.22Å; Y357-K371 WeakPolarHBondContact O-CE 3.47Å; Y357-K371 PolarHBondContact O-NZ 2.92Å |
| 358 | C | 89.4 | Confident | 76.6 | Confident | 4 Ų | 4 | 88.4 Ų | 88.4 | 3% | 0.027 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 106.3 | 172.8 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | A360 C361 D362 K363 F365 H380 | C358-A360 VanDerWaalsContact C-N 3.27Å; C358-A360 PolarHBondContact O-N 3.04Å; C358-C361 PolarHBondContact O-N 3.1Å; C358-D362 WeakPolarHBondContact O-CA 3.48Å; C358-D362 PolarHBondContact O-N 2.96Å; C358-K363 PolarHBondContact N-O 2.99Å; C358-K363 PolarHBondContact O-N 2.98Å; C358-F365 HydrophobicContact CB-CD2 4.48Å; C358-F365 HydrophobicContact CB-CE2 3.75Å; C358-H380 PolarHBondContact SG-CE1 3.47Å; C358-H380 PolarHBondContact SG-ND1 3.21Å |
| 359 | V | 86.3 | Confident | 78.3 | Confident | 98 Ų | 98 | 92.2 Ų | 92.2 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.6 | -179 | -179.9 | 0 | 0 | 0 | 0 | 112.7 | Y357 C361 | Y357-V359 HydrophobicContact CD1-CG2 3.98Å; Y357-V359 HydrophobicContact CE1-CB 4.39Å; Y357-V359 HydrophobicContact CE1-CG2 3.96Å; V359-C361 VanDerWaalsContact C-N 3.34Å; V359-C361 PolarHBondContact O-N 3.37Å |
| 360 | A | 87.6 | Confident | 80.1 | Confident | 5 Ų | 5 | 86.6 Ų | 86.6 | 4% | 0.041 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -40.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C358 Q383 M384 | C358-A360 VanDerWaalsContact C-N 3.27Å; C358-A360 PolarHBondContact O-N 3.04Å; A360-Q383 HydrophobicContact CB-CG 4.45Å; A360-Q383 WeakPolarHBondContact O-CG 3.47Å; A360-M384 HydrophobicContact CB-CG 3.79Å; A360-M384 HydrophobicContact CB-SD 3.33Å; A360-M384 WeakPolarHBondContact CB-SD 3.42Å |
| 361 | C | 90.1 | Very high | 81.8 | Confident | 27 Ų | 27 | 81 Ų | 81 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -2 | -166.8 | -72.8 | 0 | 0 | 0 | 0 | 114 | C358 V359 K363 H374 | C358-C361 PolarHBondContact O-N 3.1Å; V359-C361 VanDerWaalsContact C-N 3.34Å; V359-C361 PolarHBondContact O-N 3.37Å; C361-K363 HydrophobicContact CB-CD 4.18Å; C361-K363 HydrophobicContact CB-CG 4.31Å; C361-K363 WeakPolarHBondContact O-CG 3.16Å; C361-H374 WeakPolarHBondContact CB-NE2 3.5Å; C361-H374 VanDerWaalsContact SG-CE1 3.52Å; C361-H374 PolarHBondContact SG-NE2 3.46Å |
| 362 | D | 87.5 | Confident | 83.5 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 57.4 | -170.1 | -65.9 | -19.6 | 0 | 0 | 0 | 112.6 | Y357 C358 | Y357-D362 WeakPolarHBondContact OH-CA 3.3Å; Y357-D362 PolarHBondContact OH-OD1 3.32Å; C358-D362 WeakPolarHBondContact O-CA 3.48Å; C358-D362 PolarHBondContact O-N 2.96Å |
| 363 | K | 88.4 | Confident | 85 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 46% | 0.457 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133 | -178 | -71.3 | 177.7 | -170.4 | -173 | 0 | 112.7 | Y357 C358 C361 F365 | Y357-K363 CarbonylContact C-O 3.55Å; C358-K363 PolarHBondContact N-O 2.99Å; C358-K363 PolarHBondContact O-N 2.98Å; C361-K363 HydrophobicContact CB-CD 4.18Å; C361-K363 HydrophobicContact CB-CG 4.31Å; C361-K363 WeakPolarHBondContact O-CG 3.16Å; K363-F365 HydrophobicContact CB-CE2 3.75Å; K363-F365 HydrophobicContact CB-CZ 3.79Å; K363-F365 HydrophobicContact CD-CZ 4.29Å |
| 364 | L | 88.4 | Confident | 86.5 | Confident | 131 Ų | 131 | 76.8 Ų | 76.8 | 69% | 0.686 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.3 | 167.3 | -67.8 | 165 | 0 | 0 | 0 | 110 | Y357 | Y357-L364 HydrophobicContact CD2-CD2 3.72Å; Y357-L364 HydrophobicContact CD2-CG 3.99Å; Y357-L364 HydrophobicContact CG-CD2 4.22Å |
| 365 | F | 90 | Very high | 87.8 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | trans | -111.1 | 148.1 | 177.9 | -67.1 | -82.7 | 0 | 0 | 0 | 110.6 | L356 C358 K363 S367 A370 K371 H374 | L356-F365 VanDerWaalsContact CB-O 3.3Å; L356-F365 WeakPolarHBondContact CB-O 3.47Å; L356-F365 WeakPolarHBondContact CD1-O 3.2Å; L356-F365 WeakPolarHBondContact CD2-O 3.48Å; L356-F365 WeakPolarHBondContact O-CD2 3.43Å; L356-F365 PolarHBondContact O-N 3.38Å; C358-F365 HydrophobicContact CB-CD2 4.48Å; C358-F365 HydrophobicContact CB-CE2 3.75Å; K363-F365 HydrophobicContact CB-CE2 3.75Å; K363-F365 HydrophobicContact CB-CZ 3.79Å; K363-F365 HydrophobicContact CD-CZ 4.29Å; F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.03Å; F365-A370 HydrophobicContact CB-CB 4.34Å; F365-A370 HydrophobicContact CD1-CB 4.12Å; F365-K371 HydrophobicContact CB-CB 3.95Å; F365-K371 HydrophobicContact CD2-CB 3.71Å; F365-K371 HydrophobicContact CD2-CG 3.89Å; F365-K371 HydrophobicContact CE2-CG 4.4Å; F365-K371 HydrophobicContact CG-CB 3.8Å; F365-K371 HydrophobicContact CG-CG 4.49Å; F365-H374 HydrophobicContact CD1-CB 4.31Å; F365-H374 HydrophobicContact CE1-CB 3.4Å; F365-H374 AromaticContact CE1-CG 3.66Å; F365-H374 HydrophobicContact CE2-CB 4.13Å; F365-H374 AromaticContact CE2-CD2 3.52Å; F365-H374 AromaticContact CE2-CG 3.85Å; F365-H374 HydrophobicContact CZ-CB 3.33Å; F365-H374 AromaticContact CZ-CD2 3.2Å; F365-H374 WeakPolarHBondContact CZ-CD2 3.27Å; F365-H374 AromaticContact CZ-CG 3.07Å; F365-H374 AromaticContact CZ-ND1 3.63Å; F365-H374 AromaticContact CZ-NE2 3.81Å | ||
| 366 | A | 85.5 | Confident | 88.7 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 87% | 0.868 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -79.9 | -7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 367 | S | 86.9 | Confident | 89 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -160.2 | 146.2 | -179.1 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | F365 K369 A370 K371 | F365-S367 VanDerWaalsContact C-N 3.27Å; F365-S367 PolarHBondContact O-N 3.03Å; S367-K369 PolarHBondContact O-N 3.11Å; S367-K369 PolarHBondContact OG-N 3.2Å; S367-A370 WeakPolarHBondContact O-CA 3.48Å; S367-A370 WeakPolarHBondContact O-CB 3.36Å; S367-A370 PolarHBondContact O-N 3.4Å; S367-K371 PolarHBondContact O-N 3.38Å; S367-K371 VanDerWaalsContact O-N 3.14Å |
| 368 | I | 87.2 | Confident | 89.2 | Confident | 89 Ų | 89 | 77 Ų | 77 | 46% | 0.456 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53.7 | -38.9 | 176.2 | -62.7 | 171.5 | 0 | 0 | 0 | 110.5 | L356 A370 K371 L372 | L356-I368 HydrophobicContact CD2-CG1 4.04Å; L356-I368 VanDerWaalsContact CD2-N 3.25Å; I368-A370 VanDerWaalsContact C-N 3.3Å; I368-A370 PolarHBondContact O-N 2.94Å; I368-K371 WeakPolarHBondContact O-CB 3.47Å; I368-K371 PolarHBondContact O-N 3.23Å; I368-L372 HydrophobicContact CG2-CD1 4.17Å; I368-L372 HydrophobicContact CG2-CG 4.41Å; I368-L372 WeakPolarHBondContact O-CG 3.13Å; I368-L372 PolarHBondContact O-N 3.46Å |
| 369 | K | 88.4 | Confident | 89.2 | Confident | 172 Ų | 172 | 84.9 Ų | 84.9 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.3 | -33.9 | 178.1 | -167.5 | 171.6 | -174.3 | 171.5 | 0 | 112.9 | S367 N373 | S367-K369 PolarHBondContact O-N 3.11Å; S367-K369 PolarHBondContact OG-N 3.2Å; K369-N373 PolarHBondContact O-N 2.73Å |
| 370 | A | 90.6 | Very high | 89.5 | Confident | 45 Ų | 45 | 81 Ų | 81 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F365 S367 I368 H374 | F365-A370 HydrophobicContact CB-CB 4.34Å; F365-A370 HydrophobicContact CD1-CB 4.12Å; S367-A370 WeakPolarHBondContact O-CA 3.48Å; S367-A370 WeakPolarHBondContact O-CB 3.36Å; S367-A370 PolarHBondContact O-N 3.4Å; I368-A370 VanDerWaalsContact C-N 3.3Å; I368-A370 PolarHBondContact O-N 2.94Å; A370-H374 WeakPolarHBondContact O-CB 3.3Å; A370-H374 PolarHBondContact O-N 2.84Å |
| 371 | K | 90.8 | Very high | 89.7 | Confident | 35 Ų | 35 | 86.4 Ų | 86.4 | 15% | 0.152 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.5 | -50 | 173 | -179.3 | 177.2 | 165.5 | 176.3 | 0 | 111.7 | Q355 Y357 F365 S367 I368 N373 H374 E375 | Q355-K371 WeakPolarHBondContact O-CD 3.48Å; Q355-K371 WeakPolarHBondContact O-CE 3.23Å; Q355-K371 PolarHBondContact O-NZ 3.35Å; Y357-K371 WeakPolarHBondContact O-CE 3.47Å; Y357-K371 PolarHBondContact O-NZ 2.92Å; F365-K371 HydrophobicContact CB-CB 3.95Å; F365-K371 HydrophobicContact CD2-CB 3.71Å; F365-K371 HydrophobicContact CD2-CG 3.89Å; F365-K371 HydrophobicContact CE2-CG 4.4Å; F365-K371 HydrophobicContact CG-CB 3.8Å; F365-K371 HydrophobicContact CG-CG 4.49Å; S367-K371 PolarHBondContact O-N 3.38Å; S367-K371 VanDerWaalsContact O-N 3.14Å; I368-K371 WeakPolarHBondContact O-CB 3.47Å; I368-K371 PolarHBondContact O-N 3.23Å; K371-N373 VanDerWaalsContact C-N 3.31Å; K371-N373 PolarHBondContact O-N 2.96Å; K371-H374 CarbonylContact O-C 3.59Å; K371-H374 WeakPolarHBondContact O-CA 3.3Å; K371-H374 VanDerWaalsContact O-CB 3.3Å; K371-H374 WeakPolarHBondContact O-CB 3.39Å; K371-H374 PolarHBondContact O-N 2.97Å; K371-E375 WeakPolarHBondContact CE-OE1 3.46Å; K371-E375 HydrophobicContact CG-CG 4.39Å; K371-E375 WeakPolarHBondContact CG-OE1 3.29Å; K371-E375 WeakPolarHBondContact O-CG 3.3Å; K371-E375 PolarHBondContact O-N 2.97Å |
| 372 | L | 89.5 | Confident | 89.8 | Confident | 104 Ų | 104 | 92.3 Ų | 92.3 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 177.9 | -70.6 | 172.1 | 0 | 0 | 0 | 112.6 | I368 E375 S376 | I368-L372 HydrophobicContact CG2-CD1 4.17Å; I368-L372 HydrophobicContact CG2-CG 4.41Å; I368-L372 WeakPolarHBondContact O-CG 3.13Å; I368-L372 PolarHBondContact O-N 3.46Å; L372-E375 PolarHBondContact O-N 3.23Å; L372-S376 PolarHBondContact O-N 3.41Å |
| 373 | N | 89.3 | Confident | 89.8 | Confident | 115 Ų | 115 | 90.5 Ų | 90.5 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.2 | -39.5 | 174.6 | -169.7 | 9.9 | 0 | 0 | 0 | 111.6 | K369 K371 S376 S377 | K369-N373 PolarHBondContact O-N 2.73Å; K371-N373 VanDerWaalsContact C-N 3.31Å; K371-N373 PolarHBondContact O-N 2.96Å; N373-S376 PolarHBondContact O-N 3.35Å; N373-S376 PolarHBondContact O-OG 2.91Å; N373-S377 PolarHBondContact O-N 2.95Å |
| 374 | H | 92.4 | Very high | 89.9 | Confident | 27 Ų | 27 | 89.6 Ų | 89.6 | 13% | 0.125 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62 | -43 | 173.3 | 167.8 | 74.8 | 0 | 0 | 0 | 112.6 | C361 F365 A370 K371 S376 S377 H380 | C361-H374 WeakPolarHBondContact CB-NE2 3.5Å; C361-H374 VanDerWaalsContact SG-CE1 3.52Å; C361-H374 PolarHBondContact SG-NE2 3.46Å; F365-H374 HydrophobicContact CD1-CB 4.31Å; F365-H374 HydrophobicContact CE1-CB 3.4Å; F365-H374 AromaticContact CE1-CG 3.66Å; F365-H374 HydrophobicContact CE2-CB 4.13Å; F365-H374 AromaticContact CE2-CD2 3.52Å; F365-H374 AromaticContact CE2-CG 3.85Å; F365-H374 HydrophobicContact CZ-CB 3.33Å; F365-H374 AromaticContact CZ-CD2 3.2Å; F365-H374 WeakPolarHBondContact CZ-CD2 3.27Å; F365-H374 AromaticContact CZ-CG 3.07Å; F365-H374 AromaticContact CZ-ND1 3.63Å; F365-H374 AromaticContact CZ-NE2 3.81Å; A370-H374 WeakPolarHBondContact O-CB 3.3Å; A370-H374 PolarHBondContact O-N 2.84Å; K371-H374 CarbonylContact O-C 3.59Å; K371-H374 WeakPolarHBondContact O-CA 3.3Å; K371-H374 VanDerWaalsContact O-CB 3.3Å; K371-H374 WeakPolarHBondContact O-CB 3.39Å; K371-H374 PolarHBondContact O-N 2.97Å; H374-S376 PolarHBondContact O-N 3.31Å; H374-S377 WeakPolarHBondContact O-CA 3.33Å; H374-S377 WeakPolarHBondContact O-CB 3.26Å; H374-S377 PolarHBondContact O-N 2.85Å; H374-H380 AromaticContact CD2-ND1 3.77Å; H374-H380 AromaticContact NE2-ND1 3.45Å; H374-H380 PolarHBondContact NE2-ND1 3.39Å; H374-H380 WeakPolarHBondContact O-CB 3.31Å |
| 375 | E | 91.4 | Very high | 90 | Very high | 61 Ų | 61 | 88.6 Ų | 88.6 | 29% | 0.285 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 177.8 | -70.7 | 171.8 | 172.1 | 0 | 0 | 111.6 | K371 L372 S377 H380 | K371-E375 WeakPolarHBondContact CE-OE1 3.46Å; K371-E375 HydrophobicContact CG-CG 4.39Å; K371-E375 WeakPolarHBondContact CG-OE1 3.29Å; K371-E375 WeakPolarHBondContact O-CG 3.3Å; K371-E375 PolarHBondContact O-N 2.97Å; L372-E375 PolarHBondContact O-N 3.23Å; E375-S377 PolarHBondContact O-N 2.75Å; E375-H380 VanDerWaalsContact CA-CD2 3.49Å; E375-H380 WeakPolarHBondContact CA-CD2 3.2Å; E375-H380 PolarHBondContact O-CD2 3.4Å |
| 376 | S | 89.4 | Confident | 90 | Very high | 70 Ų | 70 | 93.4 Ų | 93.4 | 49% | 0.49 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -4.6 | 171.1 | 85.5 | 0 | 0 | 0 | 0 | 114.5 | L372 N373 H374 R381 | L372-S376 PolarHBondContact O-N 3.41Å; N373-S376 PolarHBondContact O-N 3.35Å; N373-S376 PolarHBondContact O-OG 2.91Å; H374-S376 PolarHBondContact O-N 3.31Å; S376-R381 VanDerWaalsContact C-NH1 3.3Å; S376-R381 PolarHBondContact O-NH1 2.71Å |
| 377 | S | 91.7 | Very high | 90.1 | Very high | 46 Ų | 46 | 90.6 Ų | 90.6 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -75.9 | 142.6 | -179.6 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | N373 H374 E375 K379 H380 R381 | N373-S377 PolarHBondContact O-N 2.95Å; H374-S377 WeakPolarHBondContact O-CA 3.33Å; H374-S377 WeakPolarHBondContact O-CB 3.26Å; H374-S377 PolarHBondContact O-N 2.85Å; E375-S377 PolarHBondContact O-N 2.75Å; S377-K379 PolarHBondContact O-N 3.46Å; S377-K379 VanDerWaalsContact O-N 3.15Å; S377-H380 PolarHBondContact O-N 3.38Å; S377-H380 VanDerWaalsContact O-N 3.13Å; S377-R381 PolarHBondContact O-N 2.8Å; S377-R381 VanDerWaalsContact O-N 3.13Å |
| 378 | K | 91.6 | Very high | 90.3 | Very high | 159 Ų | 159 | 94.4 Ų | 94.4 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.6 | -31.5 | 172.4 | -72.8 | -179.1 | -179.7 | -180 | 0 | 112.9 | R381 K382 | K378-R381 VanDerWaalsContact CG-NH2 3.34Å; K378-K382 WeakPolarHBondContact O-CG 3.17Å; K378-K382 PolarHBondContact O-N 2.91Å |
| 379 | K | 90.2 | Very high | 90.3 | Very high | 171 Ų | 171 | 96.4 Ų | 96.4 | 74% | 0.743 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.5 | -44.3 | 178.4 | -71.9 | -174.1 | 179.2 | -179.6 | 0 | 111.5 | S377 K382 Q383 | S377-K379 PolarHBondContact O-N 3.46Å; S377-K379 VanDerWaalsContact O-N 3.15Å; K379-K382 PolarHBondContact O-N 3.45Å; K379-Q383 PolarHBondContact O-N 2.96Å |
| 380 | H | 93.1 | Very high | 90.3 | Very high | 17 Ų | 17 | 91.3 Ų | 91.3 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 177.7 | 174.6 | 89.9 | 0 | 0 | 0 | 111.2 | C358 H374 E375 S377 K382 Q383 M384 | C358-H380 PolarHBondContact SG-CE1 3.47Å; C358-H380 PolarHBondContact SG-ND1 3.21Å; H374-H380 AromaticContact CD2-ND1 3.77Å; H374-H380 AromaticContact NE2-ND1 3.45Å; H374-H380 PolarHBondContact NE2-ND1 3.39Å; H374-H380 WeakPolarHBondContact O-CB 3.31Å; E375-H380 VanDerWaalsContact CA-CD2 3.49Å; E375-H380 WeakPolarHBondContact CA-CD2 3.2Å; E375-H380 PolarHBondContact O-CD2 3.4Å; S377-H380 PolarHBondContact O-N 3.38Å; S377-H380 VanDerWaalsContact O-N 3.13Å; H380-K382 VanDerWaalsContact C-N 3.35Å; H380-K382 PolarHBondContact O-N 3.07Å; H380-Q383 WeakPolarHBondContact O-CA 3.15Å; H380-Q383 WeakPolarHBondContact O-CB 3.48Å; H380-Q383 PolarHBondContact O-N 2.85Å; H380-M384 VanDerWaalsContact NE2-CG 3.29Å; H380-M384 WeakPolarHBondContact NE2-CG 3.33Å; H380-M384 PolarHBondContact O-N 3.12Å |
| 381 | R | 91 | Very high | 90.1 | Very high | 117 Ų | 117 | 93 Ų | 93 | 44% | 0.442 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 177.4 | -72.7 | -165.2 | -65.3 | -80.5 | 6.6 | 114 | S376 S377 K378 Q383 M384 E385 | S376-R381 VanDerWaalsContact C-NH1 3.3Å; S376-R381 PolarHBondContact O-NH1 2.71Å; S377-R381 PolarHBondContact O-N 2.8Å; S377-R381 VanDerWaalsContact O-N 3.13Å; K378-R381 VanDerWaalsContact CG-NH2 3.34Å; R381-Q383 VanDerWaalsContact C-N 3.29Å; R381-Q383 PolarHBondContact O-N 3.25Å; R381-M384 PolarHBondContact O-N 3.05Å; R381-E385 WeakPolarHBondContact O-CG 3.25Å; R381-E385 PolarHBondContact O-N 3.46Å |
| 382 | K | 91.6 | Very high | 89.8 | Confident | 151 Ų | 151 | 96.7 Ų | 96.7 | 66% | 0.657 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 176 | -75.7 | -174.1 | 176.9 | -169.5 | 0 | 112.7 | K378 K379 H380 Y386 | K378-K382 WeakPolarHBondContact O-CG 3.17Å; K378-K382 PolarHBondContact O-N 2.91Å; K379-K382 PolarHBondContact O-N 3.45Å; H380-K382 VanDerWaalsContact C-N 3.35Å; H380-K382 PolarHBondContact O-N 3.07Å; K382-Y386 PolarHBondContact O-N 2.73Å; K382-Y386 VanDerWaalsContact O-N 3.11Å |
| 383 | Q | 88.7 | Confident | 89.4 | Confident | 81 Ų | 81 | 97.1 Ų | 97.1 | 38% | 0.379 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 178.8 | -165 | 67.8 | 15.9 | 0 | 0 | 110.9 | A360 K379 H380 R381 Y386 L387 | A360-Q383 HydrophobicContact CB-CG 4.45Å; A360-Q383 WeakPolarHBondContact O-CG 3.47Å; K379-Q383 PolarHBondContact O-N 2.96Å; H380-Q383 WeakPolarHBondContact O-CA 3.15Å; H380-Q383 WeakPolarHBondContact O-CB 3.48Å; H380-Q383 PolarHBondContact O-N 2.85Å; R381-Q383 VanDerWaalsContact C-N 3.29Å; R381-Q383 PolarHBondContact O-N 3.25Å; Q383-Y386 WeakPolarHBondContact O-CB 3.37Å; Q383-Y386 PolarHBondContact O-N 3.13Å; Q383-L387 PolarHBondContact O-N 3.12Å |
| 384 | M | 90.1 | Very high | 89 | Confident | 87 Ų | 87 | 96.7 Ų | 96.7 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 170.7 | -75.9 | -64.4 | -71.5 | 0 | 0 | 112.4 | A360 H380 R381 Y386 L387 Q388 | A360-M384 HydrophobicContact CB-CG 3.79Å; A360-M384 HydrophobicContact CB-SD 3.33Å; A360-M384 WeakPolarHBondContact CB-SD 3.42Å; H380-M384 VanDerWaalsContact NE2-CG 3.29Å; H380-M384 WeakPolarHBondContact NE2-CG 3.33Å; H380-M384 PolarHBondContact O-N 3.12Å; R381-M384 PolarHBondContact O-N 3.05Å; M384-Y386 PolarHBondContact O-N 3.35Å; M384-L387 PolarHBondContact O-N 3.29Å; M384-Q388 WeakPolarHBondContact O-CB 3.43Å; M384-Q388 PolarHBondContact O-N 3.15Å |
| 385 | E | 89.9 | Confident | 88.5 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.7 | -33.5 | 175.1 | -77.1 | 174.8 | -162.6 | 0 | 0 | 112.6 | R381 K389 | R381-E385 WeakPolarHBondContact O-CG 3.25Å; R381-E385 PolarHBondContact O-N 3.46Å; E385-K389 VanDerWaalsContact O-CG 3.31Å; E385-K389 WeakPolarHBondContact O-CG 3.4Å; E385-K389 PolarHBondContact O-N 3.31Å |
| 386 | Y | 90.4 | Very high | 87.9 | Confident | 139 Ų | 139 | 100 Ų | 100 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -46.6 | 174.9 | 176.1 | -102 | 0 | 0 | 0 | 111.5 | K382 Q383 M384 Q388 K389 L390 | K382-Y386 PolarHBondContact O-N 2.73Å; K382-Y386 VanDerWaalsContact O-N 3.11Å; Q383-Y386 WeakPolarHBondContact O-CB 3.37Å; Q383-Y386 PolarHBondContact O-N 3.13Å; M384-Y386 PolarHBondContact O-N 3.35Å; Y386-Q388 VanDerWaalsContact C-N 3.34Å; Y386-Q388 PolarHBondContact O-N 3.05Å; Y386-K389 WeakPolarHBondContact O-CB 3.4Å; Y386-K389 PolarHBondContact O-N 3.28Å; Y386-L390 PolarHBondContact O-N 3.27Å |
| 387 | L | 88.8 | Confident | 87.3 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 178.2 | -144.7 | 92.7 | 0 | 0 | 0 | 111.1 | Q383 M384 K389 L390 I391 | Q383-L387 PolarHBondContact O-N 3.12Å; M384-L387 PolarHBondContact O-N 3.29Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 2.93Å; L387-L390 WeakPolarHBondContact O-CB 3.27Å; L387-L390 PolarHBondContact O-N 3.19Å; L387-L390 VanDerWaalsContact O-N 3.07Å; L387-I391 HydrophobicContact CD2-CD1 4.29Å; L387-I391 WeakPolarHBondContact O-CG1 3.44Å; L387-I391 PolarHBondContact O-N 3.17Å |
| 388 | Q | 89.4 | Confident | 86.5 | Confident | 141 Ų | 141 | 105 Ų | 105 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.8 | -37.6 | 177.7 | -171 | 177.6 | 20.3 | 0 | 0 | 112.4 | M384 Y386 H392 | M384-Q388 WeakPolarHBondContact O-CB 3.43Å; M384-Q388 PolarHBondContact O-N 3.15Å; Y386-Q388 VanDerWaalsContact C-N 3.34Å; Y386-Q388 PolarHBondContact O-N 3.05Å; Q388-H392 WeakPolarHBondContact O-CB 3.37Å; Q388-H392 PolarHBondContact O-N 3.19Å |
| 389 | K | 89.1 | Confident | 85.7 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68 | -35.8 | 174.7 | -76.6 | 171 | -175.8 | 167.3 | 0 | 112.4 | E385 Y386 L387 Q393 | E385-K389 VanDerWaalsContact O-CG 3.31Å; E385-K389 WeakPolarHBondContact O-CG 3.4Å; E385-K389 PolarHBondContact O-N 3.31Å; Y386-K389 WeakPolarHBondContact O-CB 3.4Å; Y386-K389 PolarHBondContact O-N 3.28Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 2.93Å; K389-Q393 VanDerWaalsContact O-CG 3.24Å; K389-Q393 WeakPolarHBondContact O-CG 3.15Å; K389-Q393 PolarHBondContact O-N 3.3Å; K389-Q393 VanDerWaalsContact O-N 3.11Å |
| 390 | L | 87.3 | Confident | 84.9 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -48.8 | 177.7 | -167.1 | 75.7 | 0 | 0 | 0 | 110.5 | Y386 L387 H392 Q393 E394 | Y386-L390 PolarHBondContact O-N 3.27Å; L387-L390 WeakPolarHBondContact O-CB 3.27Å; L387-L390 PolarHBondContact O-N 3.19Å; L387-L390 VanDerWaalsContact O-N 3.07Å; L390-H392 VanDerWaalsContact C-N 3.34Å; L390-H392 PolarHBondContact O-N 3.36Å; L390-Q393 WeakPolarHBondContact O-CA 3.41Å; L390-Q393 WeakPolarHBondContact O-CB 3.3Å; L390-Q393 PolarHBondContact O-N 3.08Å; L390-E394 PolarHBondContact O-N 3.02Å |
| 391 | I | 87.4 | Confident | 84 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 177.2 | -65.6 | 166.3 | 0 | 0 | 0 | 110.2 | L387 Q393 E394 D395 | L387-I391 HydrophobicContact CD2-CD1 4.29Å; L387-I391 WeakPolarHBondContact O-CG1 3.44Å; L387-I391 PolarHBondContact O-N 3.17Å; I391-Q393 PolarHBondContact O-N 3.33Å; I391-E394 PolarHBondContact O-N 2.82Å; I391-E394 VanDerWaalsContact O-N 3.09Å; I391-D395 PolarHBondContact O-N 3.09Å |
| 392 | H | 83.7 | Confident | 83 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -31 | 176.9 | -170.4 | -47.2 | 0 | 0 | 0 | 112.7 | Q388 L390 N396 | Q388-H392 WeakPolarHBondContact O-CB 3.37Å; Q388-H392 PolarHBondContact O-N 3.19Å; L390-H392 VanDerWaalsContact C-N 3.34Å; L390-H392 PolarHBondContact O-N 3.36Å; H392-N396 PolarHBondContact CE1-ND2 3.39Å; H392-N396 VanDerWaalsContact CE1-ND2 3.35Å; H392-N396 PolarHBondContact CE1-OD1 3.46Å; H392-N396 PolarHBondContact ND1-ND2 3.44Å; H392-N396 WeakPolarHBondContact O-CB 3.46Å; H392-N396 PolarHBondContact O-N 3.08Å; H392-N396 VanDerWaalsContact O-N 3.12Å; H392-N396 PolarHBondContact O-ND2 2.98Å; H392-N396 VanDerWaalsContact O-ND2 3.15Å |
| 393 | Q | 80.4 | Confident | 82 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.2 | -42.3 | 174.6 | -75.9 | 170.3 | 6.9 | 0 | 0 | 111.4 | K389 L390 I391 N396 I397 | K389-Q393 VanDerWaalsContact O-CG 3.24Å; K389-Q393 WeakPolarHBondContact O-CG 3.15Å; K389-Q393 PolarHBondContact O-N 3.3Å; K389-Q393 VanDerWaalsContact O-N 3.11Å; L390-Q393 WeakPolarHBondContact O-CA 3.41Å; L390-Q393 WeakPolarHBondContact O-CB 3.3Å; L390-Q393 PolarHBondContact O-N 3.08Å; I391-Q393 PolarHBondContact O-N 3.33Å; Q393-N396 PolarHBondContact O-N 2.83Å; Q393-I397 VanDerWaalsContact O-CG1 3.29Å; Q393-I397 WeakPolarHBondContact O-CG1 3.5Å; Q393-I397 PolarHBondContact O-N 3.23Å; Q393-I397 VanDerWaalsContact O-N 3.09Å |
| 394 | E | 80.6 | Confident | 80.9 | Confident | 106 Ų | 106 | 99.9 Ų | 99.9 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.6 | -69.9 | 175.8 | 167.7 | 0 | 0 | 111.2 | L390 I391 N396 I397 L398 | L390-E394 PolarHBondContact O-N 3.02Å; I391-E394 PolarHBondContact O-N 2.82Å; I391-E394 VanDerWaalsContact O-N 3.09Å; E394-N396 VanDerWaalsContact C-N 3.33Å; E394-N396 PolarHBondContact O-N 3.26Å; E394-I397 WeakPolarHBondContact O-CB 3.31Å; E394-I397 PolarHBondContact O-N 2.56Å; E394-I397 VanDerWaalsContact O-N 3.09Å; E394-L398 WeakPolarHBondContact O-CG 3.17Å; E394-L398 PolarHBondContact O-N 2.84Å |
| 395 | D | 82.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 101 Ų | 101 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176 | -70.7 | -19.8 | 0 | 0 | 0 | 111.9 | I391 I397 L398 Q399 | I391-D395 PolarHBondContact O-N 3.09Å; D395-I397 VanDerWaalsContact C-N 3.34Å; D395-I397 PolarHBondContact O-N 2.72Å; D395-L398 PolarHBondContact O-N 3.34Å; D395-Q399 VanDerWaalsContact O-CB 3.25Å; D395-Q399 WeakPolarHBondContact O-CB 3.24Å; D395-Q399 PolarHBondContact O-N 3.33Å |
| 396 | N | 77.8 | Confident | 77.9 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 174.6 | -76 | -27.3 | 0 | 0 | 0 | 111.8 | H392 Q393 E394 Q399 D400 | H392-N396 PolarHBondContact CE1-ND2 3.39Å; H392-N396 VanDerWaalsContact CE1-ND2 3.35Å; H392-N396 PolarHBondContact CE1-OD1 3.46Å; H392-N396 PolarHBondContact ND1-ND2 3.44Å; H392-N396 WeakPolarHBondContact O-CB 3.46Å; H392-N396 PolarHBondContact O-N 3.08Å; H392-N396 VanDerWaalsContact O-N 3.12Å; H392-N396 PolarHBondContact O-ND2 2.98Å; H392-N396 VanDerWaalsContact O-ND2 3.15Å; Q393-N396 PolarHBondContact O-N 2.83Å; E394-N396 VanDerWaalsContact C-N 3.33Å; E394-N396 PolarHBondContact O-N 3.26Å; N396-Q399 PolarHBondContact O-N 3.37Å; N396-D400 WeakPolarHBondContact O-CB 3.37Å; N396-D400 VanDerWaalsContact O-CG 3.29Å; N396-D400 PolarHBondContact O-N 3.06Å |
| 397 | I | 78.1 | Confident | 76.1 | Confident | 110 Ų | 110 | 101 Ų | 101 | 56% | 0.564 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 178.2 | -67.8 | 163.8 | 0 | 0 | 0 | 110.3 | Q393 E394 D395 D400 H401 | Q393-I397 VanDerWaalsContact O-CG1 3.29Å; Q393-I397 WeakPolarHBondContact O-CG1 3.5Å; Q393-I397 PolarHBondContact O-N 3.23Å; Q393-I397 VanDerWaalsContact O-N 3.09Å; E394-I397 WeakPolarHBondContact O-CB 3.31Å; E394-I397 PolarHBondContact O-N 2.56Å; E394-I397 VanDerWaalsContact O-N 3.09Å; D395-I397 VanDerWaalsContact C-N 3.34Å; D395-I397 PolarHBondContact O-N 2.72Å; I397-D400 PolarHBondContact O-N 2.94Å; I397-H401 WeakPolarHBondContact O-CB 3.37Å; I397-H401 PolarHBondContact O-N 3.4Å |
| 398 | L | 75.5 | Confident | 74.1 | Confident | 112 Ų | 112 | 105.3 Ų | 105.3 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 176.6 | -70.8 | 173.4 | 0 | 0 | 0 | 111.3 | E394 D395 H401 F402 | E394-L398 WeakPolarHBondContact O-CG 3.17Å; E394-L398 PolarHBondContact O-N 2.84Å; D395-L398 PolarHBondContact O-N 3.34Å; L398-H401 PolarHBondContact O-N 3.36Å; L398-F402 VanDerWaalsContact O-CB 3.26Å; L398-F402 WeakPolarHBondContact O-CB 3.48Å; L398-F402 PolarHBondContact O-N 3.14Å |
| 399 | Q | 74.3 | Confident | 72 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.6 | -168.8 | 67.8 | 42.7 | 0 | 0 | 111.3 | D395 N396 F402 N403 | D395-Q399 VanDerWaalsContact O-CB 3.25Å; D395-Q399 WeakPolarHBondContact O-CB 3.24Å; D395-Q399 PolarHBondContact O-N 3.33Å; N396-Q399 PolarHBondContact O-N 3.37Å; Q399-F402 PolarHBondContact O-N 3.17Å; Q399-N403 PolarHBondContact NE2-OD1 3.12Å; Q399-N403 VanDerWaalsContact O-CB 3.23Å; Q399-N403 WeakPolarHBondContact O-CB 3.21Å; Q399-N403 PolarHBondContact O-N 3.02Å; Q399-N403 PolarHBondContact O-ND2 3.14Å |
| 400 | D | 72.7 | Confident | 69.7 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 175.9 | -76.6 | -16.1 | 0 | 0 | 0 | 111.3 | N396 I397 S404 | N396-D400 WeakPolarHBondContact O-CB 3.37Å; N396-D400 VanDerWaalsContact O-CG 3.29Å; N396-D400 PolarHBondContact O-N 3.06Å; I397-D400 PolarHBondContact O-N 2.94Å; D400-S404 WeakPolarHBondContact O-CB 3.31Å; D400-S404 PolarHBondContact O-N 3.09Å |
| 401 | H | 73.7 | Confident | 67.1 | Low | 124 Ų | 124 | 111.5 Ų | 111.5 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.9 | -41.2 | 174.4 | -169.6 | -80.2 | 0 | 0 | 0 | 111.8 | I397 L398 S404 L405 | I397-H401 WeakPolarHBondContact O-CB 3.37Å; I397-H401 PolarHBondContact O-N 3.4Å; L398-H401 PolarHBondContact O-N 3.36Å; H401-S404 PolarHBondContact O-N 3.06Å; H401-L405 WeakPolarHBondContact O-CG 3.45Å; H401-L405 PolarHBondContact O-N 3.46Å; H401-L405 VanDerWaalsContact O-N 3.1Å |
| 402 | F | 71.1 | Confident | 64.4 | Low | 116 Ų | 116 | 112.2 Ų | 112.2 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.3 | -44 | 177 | -169.6 | -99 | 0 | 0 | 0 | 111.7 | L398 Q399 S404 L405 L406 | L398-F402 VanDerWaalsContact O-CB 3.26Å; L398-F402 WeakPolarHBondContact O-CB 3.48Å; L398-F402 PolarHBondContact O-N 3.14Å; Q399-F402 PolarHBondContact O-N 3.17Å; F402-S404 VanDerWaalsContact C-N 3.32Å; F402-S404 PolarHBondContact O-N 2.87Å; F402-L405 PolarHBondContact O-N 2.84Å; F402-L406 HydrophobicContact CD1-CD1 3.82Å; F402-L406 HydrophobicContact CE1-CD1 3.34Å; F402-L406 HydrophobicContact CE1-CD2 4.39Å; F402-L406 HydrophobicContact CE1-CG 4.47Å; F402-L406 HydrophobicContact CE2-CD1 4.13Å; F402-L406 HydrophobicContact CG-CD1 4.41Å; F402-L406 HydrophobicContact CZ-CD1 3.51Å; F402-L406 PolarHBondContact O-N 2.85Å |
| 403 | N | 70.5 | Confident | 62.1 | Low | 54 Ų | 54 | 114 Ų | 114 | 29% | 0.289 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.2 | -43.3 | 172.8 | -71.6 | -18.6 | 0 | 0 | 0 | 110.5 | Q399 L405 L406 F407 | Q399-N403 PolarHBondContact NE2-OD1 3.12Å; Q399-N403 VanDerWaalsContact O-CB 3.23Å; Q399-N403 WeakPolarHBondContact O-CB 3.21Å; Q399-N403 PolarHBondContact O-N 3.02Å; Q399-N403 PolarHBondContact O-ND2 3.14Å; N403-L405 PolarHBondContact O-N 3.49Å; N403-L406 PolarHBondContact O-N 3.25Å; N403-F407 HydrophobicContact CB-CD2 3.98Å; N403-F407 HydrophobicContact CB-CE2 3.91Å; N403-F407 WeakPolarHBondContact O-CB 3.4Å; N403-F407 WeakPolarHBondContact O-CD2 3.39Å; N403-F407 PolarHBondContact O-N 3.45Å |
| 404 | S | 65.2 | Low | 60 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 57% | 0.566 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.9 | -29.6 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | D400 H401 F402 | D400-S404 WeakPolarHBondContact O-CB 3.31Å; D400-S404 PolarHBondContact O-N 3.09Å; H401-S404 PolarHBondContact O-N 3.06Å; F402-S404 VanDerWaalsContact C-N 3.32Å; F402-S404 PolarHBondContact O-N 2.87Å |
| 405 | L | 60 | Low | 57.7 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.7 | -40.7 | 174 | -72.9 | 170.3 | 0 | 0 | 0 | 111.8 | H401 F402 N403 | H401-L405 WeakPolarHBondContact O-CG 3.45Å; H401-L405 PolarHBondContact O-N 3.46Å; H401-L405 VanDerWaalsContact O-N 3.1Å; F402-L405 PolarHBondContact O-N 2.84Å; N403-L405 PolarHBondContact O-N 3.49Å |
| 406 | L | 57.5 | Low | 55.5 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 52% | 0.518 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.6 | -37.1 | 177.7 | -107.1 | 84.1 | 0 | 0 | 0 | 113.4 | F402 N403 N408 | F402-L406 HydrophobicContact CD1-CD1 3.82Å; F402-L406 HydrophobicContact CE1-CD1 3.34Å; F402-L406 HydrophobicContact CE1-CD2 4.39Å; F402-L406 HydrophobicContact CE1-CG 4.47Å; F402-L406 HydrophobicContact CE2-CD1 4.13Å; F402-L406 HydrophobicContact CG-CD1 4.41Å; F402-L406 HydrophobicContact CZ-CD1 3.51Å; F402-L406 PolarHBondContact O-N 2.85Å; N403-L406 PolarHBondContact O-N 3.25Å; L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 3.13Å |
| 407 | F | 51.4 | Low | 53.2 | Low | 150 Ų | 150 | 125 Ų | 125 | 66% | 0.658 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -5 | -176.4 | -72.1 | -63.7 | 0 | 0 | 0 | 113.9 | N403 | N403-F407 HydrophobicContact CB-CD2 3.98Å; N403-F407 HydrophobicContact CB-CE2 3.91Å; N403-F407 WeakPolarHBondContact O-CB 3.4Å; N403-F407 WeakPolarHBondContact O-CD2 3.39Å; N403-F407 PolarHBondContact O-N 3.45Å |
| 408 | N | 46.9 | Very low | 51.2 | Low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.8 | 178.6 | -132.4 | 26.3 | 0 | 0 | 0 | 114 | L406 | L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 3.13Å |
| 409 | E | 45.8 | Very low | 49.1 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -106.2 | -0.6 | 177.2 | -74.1 | -163.8 | 145.3 | 0 | 0 | 114.7 | ||
| 410 | Q | 41.1 | Very low | 47.3 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -127.8 | 55.6 | 176.6 | -66.6 | -175.5 | 5.2 | 0 | 0 | 112.1 | S412 | Q410-S412 PolarHBondContact O-N 3.38Š| ||
| 411 | S | 33.7 | Very low | 45.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | trans | -95.1 | 68.2 | 162.4 | -79.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 412 | S | 30.2 | Very low | 44.1 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -157.6 | 132.9 | 150.3 | 65.6 | 0 | 0 | 0 | 0 | 109.9 | Q410 | Q410-S412 PolarHBondContact O-N 3.38Š| ||
| 413 | N | 34.9 | Very low | 43.1 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 92.6 | 117.1 | 167.7 | -60.6 | -29.2 | 0 | 0 | 0 | 119.9 | ||
| 414 | H | 36.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | trans | 86.4 | 84.5 | 150.6 | -93.5 | -62.4 | 0 | 0 | 0 | 120.6 | N416 | H414-N416 PolarHBondContact O-N 2.98Š| ||
| 415 | N | 32.6 | Very low | 43.1 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | -26.9 | 119.4 | 128.4 | -77.7 | -30.7 | 0 | 0 | 0 | 112.4 | |||||
| 416 | N | 36 | Very low | 43.7 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -147.3 | 104.8 | 141.6 | -93.7 | -31 | 0 | 0 | 0 | 109.2 | H414 N418 | H414-N416 PolarHBondContact O-N 2.98Å; N416-N418 PolarHBondContact O-N 3.4Å | ||
| 417 | N | 30.7 | Very low | 44.2 | Very low | 148 Ų | 148 | 151 Ų | 151 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -62.6 | 120.9 | 166.2 | -65.5 | -48.4 | 0 | 0 | 0 | 108.5 | ||||
| 418 | N | 34.5 | Very low | 45 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | -141.5 | 100.3 | 154.4 | -124.3 | -15.1 | 0 | 0 | 0 | 109.5 | N416 H420 | N416-N418 PolarHBondContact O-N 3.4Å; N418-H420 PolarHBondContact O-N 3.34Å | ||
| 419 | E | 32.2 | Very low | 46.3 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -61 | 114.4 | 170.4 | -72.1 | 177.9 | 125.2 | 0 | 0 | 109.4 | ||||
| 420 | H | 37.2 | Very low | 47.8 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | -118.5 | 99.5 | 156.5 | -148.1 | 60.7 | 0 | 0 | 0 | 109.9 | N418 N422 | N418-H420 PolarHBondContact O-N 3.34Å; H420-N422 PolarHBondContact O-N 3.02Å | ||
| 421 | S | 33.7 | Very low | 49.4 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -67.7 | 86.2 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | K423 | S421-K423 PolarHBondContact O-N 3.47Š| ||
| 422 | N | 45.5 | Very low | 51.4 | Low | 123 Ų | 123 | 139.5 Ų | 139.5 | 66% | 0.658 | 71% | 0.707 | S | S | * | * | trans | -84.8 | 108.4 | 165.8 | -76.9 | -29 | 0 | 0 | 0 | 109.2 | H420 L424 | H420-N422 PolarHBondContact O-N 3.02Å; N422-L424 PolarHBondContact O-N 3.35Å | ||
| 423 | K | 49.9 | Very low | 53.6 | Low | 207 Ų | 207 | 144.9 Ų | 144.9 | 90% | 0.9 | 71% | 0.712 | S | S | * | * | trans | -58.2 | 93.9 | 174 | -83.2 | 175.2 | 177.9 | 168.9 | 0 | 110.4 | S421 T425 | S421-K423 PolarHBondContact O-N 3.47Å; K423-T425 PolarHBondContact O-N 2.94Å | ||
| 424 | L | 59.4 | Low | 55.7 | Low | 96 Ų | 96 | 143.8 Ų | 143.8 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | trans | -59.4 | 133 | 170.2 | -72.6 | 168.6 | 0 | 0 | 0 | 110.6 | N422 A428 K429 | N422-L424 PolarHBondContact O-N 3.35Å; L424-A428 HydrophobicContact CB-CB 4.11Å; L424-A428 HydrophobicContact CD2-CB 3.99Å; L424-K429 HydrophobicContact CB-CG 4.5Å | ||
| 425 | T | 75.7 | Confident | 57.6 | Low | 96 Ų | 96 | 144.1 Ų | 144.1 | 59% | 0.589 | 70% | 0.695 | S | S | * | * | trans | -57.2 | 153.3 | 176.2 | 66.4 | 0 | 0 | 0 | 0 | 111 | K423 R427 A428 K429 | K423-T425 PolarHBondContact O-N 2.94Å; T425-R427 PolarHBondContact O-N 3.49Å; T425-A428 PolarHBondContact O-N 3.46Å; T425-A428 PolarHBondContact OG1-N 3.08Å; T425-K429 PolarHBondContact O-N 3Å; T425-K429 VanDerWaalsContact O-N 3.12Å | ||
| 426 | K | 72 | Confident | 59.7 | Low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.865 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -52.2 | -28.8 | 175.4 | -80.5 | -177 | 177.6 | 175.7 | 0 | 112.8 | K430 | K426-K430 PolarHBondContact O-N 2.77Å |
| 427 | R | 67.8 | Low | 61.7 | Low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.3 | -39.8 | 178.2 | -162.4 | 172.6 | 179.5 | 176.3 | -1.8 | 112.1 | T425 K430 A431 | T425-R427 PolarHBondContact O-N 3.49Å; R427-K430 PolarHBondContact O-N 2.85Å; R427-A431 PolarHBondContact O-N 3.39Å; R427-A431 VanDerWaalsContact O-N 3.09Å |
| 428 | A | 69.6 | Low | 63.8 | Low | 33 Ų | 33 | 141.2 Ų | 141.2 | 27% | 0.273 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.1 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L424 T425 K430 A431 E432 | L424-A428 HydrophobicContact CB-CB 4.11Å; L424-A428 HydrophobicContact CD2-CB 3.99Å; T425-A428 PolarHBondContact O-N 3.46Å; T425-A428 PolarHBondContact OG1-N 3.08Å; A428-K430 PolarHBondContact O-N 2.92Å; A428-A431 PolarHBondContact O-N 3.41Å; A428-A431 VanDerWaalsContact O-N 3.13Å; A428-E432 PolarHBondContact O-N 2.87Å |
| 429 | K | 74.5 | Confident | 65.4 | Low | 132 Ų | 132 | 138.2 Ų | 138.2 | 57% | 0.574 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.3 | -32.3 | 174 | -93.2 | 179.3 | 173.6 | 174.1 | 0 | 113.7 | L424 T425 R433 | L424-K429 HydrophobicContact CB-CG 4.5Å; T425-K429 PolarHBondContact O-N 3Å; T425-K429 VanDerWaalsContact O-N 3.12Å; K429-R433 WeakPolarHBondContact O-CG 3.38Å; K429-R433 PolarHBondContact O-N 3.41Å |
| 430 | K | 77.3 | Confident | 67.2 | Low | 168 Ų | 168 | 134.8 Ų | 134.8 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76 | -38.1 | 176.9 | -171.5 | 174.6 | -179.3 | 177.8 | 0 | 112.2 | K426 R427 A428 K434 | K426-K430 PolarHBondContact O-N 2.77Å; R427-K430 PolarHBondContact O-N 2.85Å; A428-K430 PolarHBondContact O-N 2.92Å; K430-K434 PolarHBondContact O-N 3.34Å; K430-K434 VanDerWaalsContact O-N 3.13Å |
| 431 | A | 74.4 | Confident | 68.6 | Low | 61 Ų | 61 | 132.2 Ų | 132.2 | 50% | 0.504 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R427 A428 K434 R435 | R427-A431 PolarHBondContact O-N 3.39Å; R427-A431 VanDerWaalsContact O-N 3.09Å; A428-A431 PolarHBondContact O-N 3.41Å; A428-A431 VanDerWaalsContact O-N 3.13Å; A431-K434 WeakPolarHBondContact O-CB 3.46Å; A431-K434 PolarHBondContact O-N 3.48Å; A431-R435 PolarHBondContact O-N 3.02Å |
| 432 | E | 74.1 | Confident | 69.4 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 55% | 0.547 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.1 | -44.1 | 178 | -166.9 | 175.8 | -175.3 | 0 | 0 | 112.4 | A428 K434 R435 K436 | A428-E432 PolarHBondContact O-N 2.87Å; E432-K434 VanDerWaalsContact C-N 3.28Å; E432-K434 PolarHBondContact O-N 3.38Å; E432-R435 PolarHBondContact O-N 3.2Å; E432-K436 WeakPolarHBondContact O-CB 3.27Å; E432-K436 PolarHBondContact O-N 3.2Å |
| 433 | R | 76.9 | Confident | 69.6 | Low | 207 Ų | 207 | 131.4 Ų | 131.4 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.4 | -35.2 | 171.8 | -79.4 | -178.6 | 172 | -171.9 | -3 | 113 | K429 K437 | K429-R433 WeakPolarHBondContact O-CG 3.38Å; K429-R433 PolarHBondContact O-N 3.41Å; R433-K437 PolarHBondContact O-N 3.49Å |
| 434 | K | 79.9 | Confident | 69.7 | Low | 130 Ų | 130 | 125.2 Ų | 125.2 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.3 | -44.6 | 176.2 | -165.6 | -173.5 | -178.7 | -111.8 | 0 | 111 | K430 A431 E432 K436 K437 E438 | K430-K434 PolarHBondContact O-N 3.34Å; K430-K434 VanDerWaalsContact O-N 3.13Å; A431-K434 WeakPolarHBondContact O-CB 3.46Å; A431-K434 PolarHBondContact O-N 3.48Å; E432-K434 VanDerWaalsContact C-N 3.28Å; E432-K434 PolarHBondContact O-N 3.38Å; K434-K436 PolarHBondContact O-N 2.87Å; K434-K437 PolarHBondContact O-N 3.2Å; K434-E438 WeakPolarHBondContact CE-OE1 3.23Å; K434-E438 IonicContact NZ-OE1 2.72Å; K434-E438 PolarHBondContact NZ-OE1 3.15Å; K434-E438 WeakPolarHBondContact O-CG 3.35Å; K434-E438 PolarHBondContact O-N 2.9Å |
| 435 | R | 75.4 | Confident | 69.1 | Low | 174 Ų | 174 | 123.9 Ų | 123.9 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.8 | -42.2 | 177.8 | -149.5 | 177.1 | 177.7 | -161.3 | -2.7 | 111.3 | A431 E432 K437 E438 L439 | A431-R435 PolarHBondContact O-N 3.02Å; E432-R435 PolarHBondContact O-N 3.2Å; R435-K437 PolarHBondContact O-N 3.36Å; R435-E438 PolarHBondContact O-N 2.94Å; R435-L439 WeakPolarHBondContact O-CD1 3.49Å; R435-L439 PolarHBondContact O-N 3.2Å |
| 436 | K | 77.3 | Confident | 67.6 | Low | 142 Ų | 142 | 122.7 Ų | 122.7 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.8 | -40.2 | 175.5 | -160.2 | 172.1 | -176.5 | 176.1 | 0 | 112.7 | E432 K434 L439 E440 | E432-K436 WeakPolarHBondContact O-CB 3.27Å; E432-K436 PolarHBondContact O-N 3.2Å; K434-K436 PolarHBondContact O-N 2.87Å; K436-L439 PolarHBondContact O-N 3.29Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.9Å |
| 437 | K | 77.9 | Confident | 66.1 | Low | 140 Ų | 140 | 116.6 Ų | 116.6 | 61% | 0.609 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.2 | -35.1 | 175.8 | -166.2 | 173.5 | -176.2 | 176.5 | 0 | 113 | R433 K434 R435 L441 | R433-K437 PolarHBondContact O-N 3.49Å; K434-K437 PolarHBondContact O-N 3.2Å; R435-K437 PolarHBondContact O-N 3.36Å; K437-L441 HydrophobicContact CG-CD1 4.48Å; K437-L441 WeakPolarHBondContact O-CD1 3.17Å; K437-L441 PolarHBondContact O-N 3.2Å; K437-L441 VanDerWaalsContact O-N 3.15Å |
| 438 | E | 73.6 | Confident | 64.8 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 174.4 | -74.5 | 169.3 | 175.2 | 0 | 0 | 111.4 | K434 R435 L441 H442 | K434-E438 WeakPolarHBondContact CE-OE1 3.23Å; K434-E438 IonicContact NZ-OE1 2.72Å; K434-E438 PolarHBondContact NZ-OE1 3.15Å; K434-E438 WeakPolarHBondContact O-CG 3.35Å; K434-E438 PolarHBondContact O-N 2.9Å; R435-E438 PolarHBondContact O-N 2.94Å; E438-L441 PolarHBondContact O-N 2.97Å; E438-H442 WeakPolarHBondContact O-CB 3.23Å; E438-H442 PolarHBondContact O-N 3.4Å |
| 439 | L | 69.7 | Low | 63.4 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -42.3 | 172.5 | -84.9 | 151.2 | 0 | 0 | 0 | 112.8 | R435 K436 H442 N443 | R435-L439 WeakPolarHBondContact O-CD1 3.49Å; R435-L439 PolarHBondContact O-N 3.2Å; K436-L439 PolarHBondContact O-N 3.29Å; L439-H442 PolarHBondContact O-N 3.39Å; L439-N443 WeakPolarHBondContact O-CB 3.26Å; L439-N443 PolarHBondContact O-N 3.23Å |
| 440 | E | 69.8 | Low | 61.7 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -41.1 | 175.3 | -76.2 | 170.3 | -176.5 | 0 | 0 | 112 | K436 S444 | K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.9Å; E440-S444 PolarHBondContact O-N 3.43Å; E440-S444 VanDerWaalsContact O-N 3.09Å; E440-S444 PolarHBondContact O-OG 2.97Å |
| 441 | L | 65.7 | Low | 59.8 | Low | 109 Ų | 109 | 114 Ų | 114 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | 175.7 | -82.2 | 158.2 | 0 | 0 | 0 | 113 | K437 E438 S445 | K437-L441 HydrophobicContact CG-CD1 4.48Å; K437-L441 WeakPolarHBondContact O-CD1 3.17Å; K437-L441 PolarHBondContact O-N 3.2Å; K437-L441 VanDerWaalsContact O-N 3.15Å; E438-L441 PolarHBondContact O-N 2.97Å; L441-S445 PolarHBondContact O-N 3.15Å; L441-S445 PolarHBondContact O-OG 2.67Å |
| 442 | H | 51 | Low | 58.3 | Low | 109 Ų | 109 | 118.7 Ų | 118.7 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.1 | -38.9 | 178.1 | -157.5 | -77.8 | 0 | 0 | 0 | 111.7 | E438 L439 S445 N446 | E438-H442 WeakPolarHBondContact O-CB 3.23Å; E438-H442 PolarHBondContact O-N 3.4Å; L439-H442 PolarHBondContact O-N 3.39Å; H442-S445 PolarHBondContact O-N 2.96Å; H442-N446 PolarHBondContact CE1-ND2 2.92Å; H442-N446 VanDerWaalsContact CE1-ND2 3.27Å; H442-N446 PolarHBondContact ND1-ND2 3.41Å; H442-N446 VanDerWaalsContact ND1-ND2 3.13Å; H442-N446 WeakPolarHBondContact O-CB 3.34Å; H442-N446 PolarHBondContact O-N 3.43Å |
| 443 | N | 50 | Low | 56.5 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.4 | -36.8 | 175.9 | -75.1 | -10.1 | 0 | 0 | 0 | 112.5 | L439 S445 S447 | L439-N443 WeakPolarHBondContact O-CB 3.26Å; L439-N443 PolarHBondContact O-N 3.23Å; N443-S445 VanDerWaalsContact C-N 3.31Å; N443-S445 PolarHBondContact O-N 2.7Å; N443-S447 WeakPolarHBondContact O-CB 3.49Å; N443-S447 PolarHBondContact O-N 3.03Å |
| 444 | S | 51.2 | Low | 54.4 | Low | 77 Ų | 77 | 117.9 Ų | 117.9 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -27.9 | 171.8 | -67.2 | 0 | 0 | 0 | 0 | 113.6 | E440 I448 | E440-S444 PolarHBondContact O-N 3.43Å; E440-S444 VanDerWaalsContact O-N 3.09Å; E440-S444 PolarHBondContact O-OG 2.97Å; S444-I448 WeakPolarHBondContact O-CD1 3.41Å |
| 445 | S | 47.3 | Very low | 52.3 | Low | 68 Ų | 68 | 119 Ų | 119 | 48% | 0.476 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -81.2 | -33.3 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | L441 H442 N443 | L441-S445 PolarHBondContact O-N 3.15Å; L441-S445 PolarHBondContact O-OG 2.67Å; H442-S445 PolarHBondContact O-N 2.96Å; N443-S445 VanDerWaalsContact C-N 3.31Å; N443-S445 PolarHBondContact O-N 2.7Å |
| 446 | N | 43.9 | Very low | 50.3 | Low | 70 Ų | 70 | 115.9 Ų | 115.9 | 37% | 0.374 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77.2 | -27.5 | 175.7 | -77.6 | -10.3 | 0 | 0 | 0 | 113.2 | H442 I448 L449 N450 | H442-N446 PolarHBondContact CE1-ND2 2.92Å; H442-N446 VanDerWaalsContact CE1-ND2 3.27Å; H442-N446 PolarHBondContact ND1-ND2 3.41Å; H442-N446 VanDerWaalsContact ND1-ND2 3.13Å; H442-N446 WeakPolarHBondContact O-CB 3.34Å; H442-N446 PolarHBondContact O-N 3.43Å; N446-I448 PolarHBondContact O-N 2.89Å; N446-L449 PolarHBondContact O-N 2.73Å; N446-N450 PolarHBondContact O-N 3.18Å; N446-N450 VanDerWaalsContact O-N 3.16Å |
| 447 | S | 40.4 | Very low | 48.1 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -26.9 | 172.4 | -173.2 | 0 | 0 | 0 | 0 | 113 | N443 | N443-S447 WeakPolarHBondContact O-CB 3.49Å; N443-S447 PolarHBondContact O-N 3.03Å |
| 448 | I | 40.8 | Very low | 45.9 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 61% | 0.605 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -18.6 | -179.1 | -64.4 | 169 | 0 | 0 | 0 | 111.6 | S444 N446 | S444-I448 WeakPolarHBondContact O-CD1 3.41Å; N446-I448 PolarHBondContact O-N 2.89Å |
| 449 | L | 39.3 | Very low | 44 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 56% | 0.56 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -25.4 | -179.7 | -68.3 | 170.6 | 0 | 0 | 0 | 113.1 | N446 | N446-L449 PolarHBondContact O-N 2.73Š|
| 450 | N | 39.5 | Very low | 42.5 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -9.6 | 179.9 | -90.5 | -3.9 | 0 | 0 | 0 | 115.3 | N446 | N446-N450 PolarHBondContact O-N 3.18Å; N446-N450 VanDerWaalsContact O-N 3.16Å |
| 451 | E | 37.2 | Very low | 40.8 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -3.6 | 172.4 | -89.3 | -179.5 | 121 | 0 | 0 | 113.9 | ||
| 452 | Q | 44.3 | Very low | 39.4 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -108.4 | -1.7 | -179 | -66 | -174.1 | -8.5 | 0 | 0 | 114.3 | ||
| 453 | Q | 36.2 | Very low | 38.5 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -115.5 | 7.4 | -175.9 | -89.8 | -178.6 | -9.5 | 0 | 0 | 115.7 | ||
| 454 | L | 33 | Very low | 37.8 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -114 | 61.4 | 174.2 | -70 | 168.2 | 0 | 0 | 0 | 110.5 | ||
| 455 | N | 34.3 | Very low | 36.9 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -158.4 | 49.2 | 174.6 | -91.5 | -26.6 | 0 | 0 | 0 | 111.4 | ||
| 456 | S | 33.3 | Very low | 36.3 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -169.8 | 53.8 | 173.5 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 457 | T | 31.1 | Very low | 35.8 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -151.9 | 78.4 | 165.2 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 458 | S | 31.4 | Very low | 35.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -166.8 | 105.6 | 156.9 | -154.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 459 | D | 34.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -177.7 | 75.9 | 157 | -88.2 | -20 | 0 | 0 | 0 | 107.9 | ||||
| 460 | H | 38 | Very low | 34.7 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | -124.5 | 97 | 156.2 | -120 | -78.2 | 0 | 0 | 0 | 106.2 | ||||
| 461 | I | 33.8 | Very low | 34.4 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | -94.3 | 107.9 | 172 | -66.2 | 172.3 | 0 | 0 | 0 | 106.3 | I463 | I461-I463 HydrophobicContact CG2-CD1 4.44Å; I461-I463 HydrophobicContact CG2-CG1 3.91Å | ||
| 462 | E | 37.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -103.6 | 117.3 | 157.9 | -78.6 | -169.8 | 171.2 | 0 | 0 | 108.6 | ||||
| 463 | I | 32 | Very low | 34 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -84.8 | 120.7 | 173.2 | -65.1 | 167.2 | 0 | 0 | 0 | 107.1 | I461 | I461-I463 HydrophobicContact CG2-CD1 4.44Å; I461-I463 HydrophobicContact CG2-CG1 3.91Å | ||
| 464 | R | 35.5 | Very low | 33.9 | Very low | 248 Ų | 248 | 144.9 Ų | 144.9 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -151.7 | 129.3 | 148.8 | -107.5 | 167.6 | -167.2 | -169.2 | 3.5 | 111.8 | ||||
| 465 | N | 32.6 | Very low | 33.9 | Very low | 118 Ų | 118 | 144 Ų | 144 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | trans | -55.3 | 154 | -167.3 | -75 | 8.9 | 0 | 0 | 0 | 119.5 | ||||
| 466 | E | 33.3 | Very low | 33.8 | Very low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | 69.9 | 104.7 | 135.6 | -72.5 | 165.1 | -129.3 | 0 | 0 | 119.5 | ||||
| 467 | T | 34.3 | Very low | 33.9 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | 166.4 | 132 | 91.1 | 35.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 468 | S | 34.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 63.6 | 113 | 139.8 | -151.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 469 | S | 31 | Very low | 34 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 63.4 | 110.4 | 129.8 | 66 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 470 | C | 31.3 | Very low | 33.8 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | -177.6 | 144.4 | 96.1 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 471 | E | 32.9 | Very low | 33.8 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -76.6 | 158.2 | -178 | -62.6 | 165.6 | 141.4 | 0 | 0 | 112 | ||||
| 472 | L | 38.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | 168 | 114.7 | 117 | -82.6 | 165.3 | 0 | 0 | 0 | 112.6 | |||||
| 473 | D | 35.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 55.9 | 108.7 | 131.8 | -61 | -20.4 | 0 | 0 | 0 | 124.3 | ||||
| 474 | N | 33 | Very low | 34.1 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | 21.8 | 137.8 | 123.9 | -66.1 | -38.5 | 0 | 0 | 0 | 119.9 | |||||
| 475 | T | 33.8 | Very low | 33.9 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | -178.9 | 131.6 | 103.5 | -55.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 476 | T | 31.4 | Very low | 33.9 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -33.3 | 142.1 | 163.2 | -53.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 477 | I | 35.5 | Very low | 33.9 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -138.6 | 122.2 | 143.8 | -61.5 | -174.4 | 0 | 0 | 0 | 110.5 | ||||
| 478 | Q | 29.7 | Very low | 33.8 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -98.5 | 151.8 | 165.9 | -87.8 | 176 | -23.9 | 0 | 0 | 110.8 | ||||
| 479 | S | 36.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 174.4 | 103.1 | 145.3 | 31 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 480 | T | 30.4 | Very low | 33.4 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 59 | 108.3 | 88 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 481 | I | 37.6 | Very low | 33.2 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | -142.4 | 126.7 | 141.1 | -62.6 | -173.1 | 0 | 0 | 0 | 109.4 | ||||
| 482 | E | 33.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -82.2 | 155.6 | 177.7 | -59.9 | 163.5 | 144.6 | 0 | 0 | 112.1 | ||||
| 483 | N | 38.8 | Very low | 32.6 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | 169.1 | 120.4 | 115.3 | -87.4 | -45.5 | 0 | 0 | 0 | 115.8 | |||||
| 484 | N | 36.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 77 | 94.4 | 130.9 | -63.9 | -23.7 | 0 | 0 | 0 | 124.6 | ||||
| 485 | N | 32.4 | Very low | 32.3 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | 2.4 | 135.7 | 120.6 | -61.2 | -32.2 | 0 | 0 | 0 | 121.8 | |||||
| 486 | N | 32.1 | Very low | 31.9 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | -173.2 | 112 | 122.9 | -114.4 | -9.7 | 0 | 0 | 0 | 109.9 | |||||
| 487 | I | 32.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 68% | 0.677 | 78% | 0.783 | S | S | * | * | 92.2 | 121.6 | 74.8 | -76.1 | -171.2 | 0 | 0 | 0 | 115 | |||||
| 488 | N | 31.7 | Very low | 31.7 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | 88 | 108 | 146.1 | -73.7 | -11.6 | 0 | 0 | 0 | 124.8 | ||||
| 489 | N | 27.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 42.3 | 121 | 107.7 | -63.2 | -18.5 | 0 | 0 | 0 | 120.3 | |||||
| 490 | N | 30.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | 175.7 | 129.4 | 96.5 | -110.7 | -27.2 | 0 | 0 | 0 | 115.5 | |||||
| 491 | S | 28 | Very low | 31.9 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | trans | 24.4 | 131.8 | 134.9 | 51.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 492 | N | 26.8 | Very low | 32 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 49.4 | 118.2 | 135.1 | -62.8 | -15 | 0 | 0 | 0 | 121.4 | ||||
| 493 | K | 31.7 | Very low | 32 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | -168.8 | 127.3 | 127.5 | -115.6 | 169.4 | -178.7 | 173.5 | 0 | 114.1 | |||||
| 494 | E | 26.8 | Very low | 31.6 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -61.4 | 144.5 | 157 | -66.6 | 169.4 | 134.8 | 0 | 0 | 110.9 | ||||
| 495 | S | 34.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -176.2 | 129.6 | 138.9 | 36.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 496 | S | 26.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -61.7 | 135.6 | 170.6 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 497 | I | 35.6 | Very low | 31.8 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -141.4 | 125.5 | 151.5 | -59.7 | -176.4 | 0 | 0 | 0 | 109.7 | ||||
| 498 | K | 27.7 | Very low | 32 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 73% | 0.726 | 79% | 0.792 | S | S | * | * | trans | -97.4 | 165.9 | 176.3 | -68 | 177.8 | 173.7 | 174.7 | 0 | 111.4 | ||||
| 499 | H | 33.8 | Very low | 32 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 73.4 | 144.5 | 157.4 | -59.8 | -58.4 | 0 | 0 | 0 | 115.8 | ||||
| 500 | S | 30.8 | Very low | 32.3 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | cis | -176.1 | 156.5 | 0.1 | 42.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 501 | N | 35.5 | Very low | 32.2 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -163.3 | 130.6 | 128.3 | -93.8 | -18.4 | 0 | 0 | 0 | 112 | |||||
| 502 | Q | 38 | Very low | 32.6 | Very low | 174 Ų | 174 | 156 Ų | 156 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -90.5 | 156.7 | -176.1 | -72.2 | 168.9 | -9.7 | 0 | 0 | 112.1 | ||||
| 503 | S | 35.7 | Very low | 32.7 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -174.6 | 92.2 | 135 | 30.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 504 | T | 30.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | 42 | 116.7 | 92.1 | 57.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 505 | I | 35.6 | Very low | 32.9 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | -169.5 | 113.3 | 122.6 | -90.2 | 153.9 | 0 | 0 | 0 | 110.8 | |||||
| 506 | K | 35.6 | Very low | 33.1 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | 66.6 | 119.9 | 138.5 | -64.3 | 179.6 | 178.3 | 177.1 | 0 | 122.8 | ||||
| 507 | Q | 34.2 | Very low | 34 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 148.7 | 164 | -63.5 | 157.5 | -30 | 0 | 0 | 112.9 | ||||
| 508 | S | 35.1 | Very low | 34.6 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -149.3 | 120.6 | 136.8 | 57.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 509 | E | 32.5 | Very low | 36.3 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -81.8 | 134.1 | 177.9 | -65.9 | 172.3 | 152.6 | 0 | 0 | 110 | ||||
| 510 | K | 32.9 | Very low | 38.4 | Very low | 206 Ų | 206 | 146.9 Ų | 146.9 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 122.9 | 144.6 | -118.7 | 168.5 | -175.8 | 176.1 | 0 | 110.8 | ||||
| 511 | S | 30.2 | Very low | 41 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 128.2 | -179.9 | 33.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 512 | I | 34.7 | Very low | 43.6 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -144.7 | 119.6 | 148.3 | -57.9 | -177.5 | 0 | 0 | 0 | 108.1 | ||||
| 513 | S | 28.7 | Very low | 46 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -61.5 | 126.4 | 168.1 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 514 | D | 32.8 | Very low | 48.3 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | trans | 177.8 | 130.4 | 131.7 | -110 | -33.8 | 0 | 0 | 0 | 113.6 | ||||
| 515 | S | 30.2 | Very low | 51 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | 62.5 | 103.2 | 144.7 | -134.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 516 | S | 39.9 | Very low | 53.7 | Low | 112 Ų | 112 | 125.3 Ų | 125.3 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -157.5 | 88.1 | 155.2 | -72 | 0 | 0 | 0 | 0 | 112.2 | I518 | S516-I518 PolarHBondContact O-N 3.35Å; S516-I518 VanDerWaalsContact O-N 3.07Å | ||
| 517 | K | 44.4 | Very low | 56.1 | Low | 189 Ų | 189 | 122.9 Ų | 122.9 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | -66.1 | 99.1 | 163.4 | -75.2 | 175.8 | 178.6 | 175.3 | 0 | 108.7 | N519 | K517-N519 PolarHBondContact O-N 2.98Š| ||
| 518 | I | 49 | Very low | 58.7 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | trans | -73.7 | 96.8 | 167.9 | -61.2 | 174.8 | 0 | 0 | 0 | 106.9 | S516 K520 | S516-I518 PolarHBondContact O-N 3.35Å; S516-I518 VanDerWaalsContact O-N 3.07Å; I518-K520 PolarHBondContact O-N 3.11Å; I518-K520 VanDerWaalsContact O-N 3.15Å | ||
| 519 | N | 62.7 | Low | 61.3 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | trans | -64.8 | 110.3 | 176.1 | -71.4 | -32.8 | 0 | 0 | 0 | 109.4 | K517 I521 | K517-N519 PolarHBondContact O-N 2.98Å; N519-I521 PolarHBondContact O-N 3.14Å | ||
| 520 | K | 77.9 | Confident | 64.1 | Low | 142 Ų | 142 | 110.3 Ų | 110.3 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | trans | -58.1 | 127.5 | 170.5 | -63.7 | -175.6 | 164 | -147.1 | 0 | 109.7 | I518 I522 E529 | I518-K520 PolarHBondContact O-N 3.11Å; I518-K520 VanDerWaalsContact O-N 3.15Å; K520-I522 PolarHBondContact O-N 3.44Å; K520-E529 VanDerWaalsContact CD-OE1 3.3Å; K520-E529 WeakPolarHBondContact CD-OE1 3.33Å; K520-E529 VanDerWaalsContact CG-OE1 3.29Å; K520-E529 WeakPolarHBondContact CG-OE1 3.27Å; K520-E529 IonicContact NZ-OE1 3.99Å; K520-E529 IonicContact NZ-OE2 3.21Å; K520-E529 PolarHBondContact NZ-OE2 3.41Å | ||
| 521 | I | 86.1 | Confident | 66.6 | Low | 55 Ų | 55 | 110.4 Ų | 110.4 | 28% | 0.282 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 102.3 | 179.9 | -58.4 | 175.5 | 0 | 0 | 0 | 107.4 | N519 F530 R533 L536 | N519-I521 PolarHBondContact O-N 3.14Å; I521-F530 HydrophobicContact CG2-CB 4.4Å; I521-F530 PolarHBondContact O-N 2.76Å; I521-R533 HydrophobicContact CD1-CB 4.17Å; I521-L536 HydrophobicContact CG2-CB 3.75Å; I521-L536 HydrophobicContact CG2-CD2 3.48Å; I521-L536 VanDerWaalsContact CG2-CD2 3.48Å; I521-L536 HydrophobicContact CG2-CG 4.18Å |
| 522 | I | 89.6 | Confident | 69.3 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 34% | 0.344 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 152.5 | 179.9 | 54.6 | 172.8 | 0 | 0 | 0 | 110.8 | K520 F527 I528 E529 | K520-I522 PolarHBondContact O-N 3.44Å; I522-F527 HydrophobicContact CD1-CD1 4.42Å; I522-I528 VanDerWaalsContact CA-O 3.3Å; I522-I528 WeakPolarHBondContact CA-O 3.49Å; I522-E529 HydrophobicContact CG2-CB 4.04Å; I522-E529 HydrophobicContact CG2-CG 4.27Å |
| 523 | C | 89.1 | Confident | 71.8 | Confident | 1 Ų | 1 | 107.3 Ų | 107.3 | 1% | 0.007 | 56% | 0.558 | C | S | . | * | trans | -80 | 125.2 | 167 | 175.7 | 0 | 0 | 0 | 0 | 110 | T525 C526 F527 I528 F530 L536 H539 H545 | C523-T525 PolarHBondContact O-N 3.3Å; C523-T525 VanDerWaalsContact O-N 3.16Å; C523-C526 VanDerWaalsContact CB-SG 3.52Å; C523-C526 PolarHBondContact SG-SG 3.12Å; C523-F527 WeakPolarHBondContact O-CA 3.48Å; C523-F527 PolarHBondContact O-N 3.02Å; C523-I528 PolarHBondContact N-O 2.92Å; C523-F530 HydrophobicContact CB-CE2 3.81Å; C523-L536 HydrophobicContact CB-CD1 3.68Å; C523-H539 PolarHBondContact SG-NE2 2.86Å; C523-H545 VanDerWaalsContact SG-CB 3.55Å; C523-H545 PolarHBondContact SG-ND1 3.01Å | ||
| 524 | D | 84 | Confident | 74.7 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -16.1 | -177.2 | -72 | -18.5 | 0 | 0 | 0 | 114.2 | ||
| 525 | T | 86.8 | Confident | 77.4 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -39.1 | -176.7 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | C523 H545 | C523-T525 PolarHBondContact O-N 3.3Å; C523-T525 VanDerWaalsContact O-N 3.16Å; T525-H545 VanDerWaalsContact CB-CG 3.48Å; T525-H545 HydrophobicContact CG2-CB 4.28Å; T525-H545 PolarHBondContact OG1-O 3.48Å |
| 526 | C | 90.9 | Very high | 80.3 | Confident | 42 Ų | 42 | 98.1 Ų | 98.1 | 28% | 0.284 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -1.5 | -178.9 | 66.4 | 0 | 0 | 0 | 0 | 115.1 | C523 I528 H539 H545 | C523-C526 VanDerWaalsContact CB-SG 3.52Å; C523-C526 PolarHBondContact SG-SG 3.12Å; C526-I528 HydrophobicContact CB-CD1 4.35Å; C526-I528 HydrophobicContact CB-CG1 4.32Å; C526-I528 PolarHBondContact O-N 2.98Å; C526-I528 VanDerWaalsContact O-N 3.07Å; C526-I528 VanDerWaalsContact SG-CG1 3.59Å; C526-H539 PolarHBondContact SG-CE1 3.44Å; C526-H539 PolarHBondContact SG-NE2 3.09Å; C526-H545 VanDerWaalsContact CB-CE1 3.48Å; C526-H545 WeakPolarHBondContact CB-CE1 3.29Å |
| 527 | F | 87.5 | Confident | 82.7 | Confident | 147 Ų | 147 | 97.6 Ų | 97.6 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | trans | 57.7 | 19.3 | 177.1 | -58.7 | -80.1 | 0 | 0 | 0 | 115.9 | I522 C523 | I522-F527 HydrophobicContact CD1-CD1 4.42Å; C523-F527 WeakPolarHBondContact O-CA 3.48Å; C523-F527 PolarHBondContact O-N 3.02Å | ||
| 528 | I | 87.7 | Confident | 84.8 | Confident | 84 Ų | 84 | 92.9 Ų | 92.9 | 43% | 0.431 | 46% | 0.464 | S | S | . | . | trans | -71.7 | 131.9 | 173.7 | -60.3 | 172.6 | 0 | 0 | 0 | 109.2 | I522 C523 C526 F530 | I522-I528 VanDerWaalsContact CA-O 3.3Å; I522-I528 WeakPolarHBondContact CA-O 3.49Å; C523-I528 PolarHBondContact N-O 2.92Å; C526-I528 HydrophobicContact CB-CD1 4.35Å; C526-I528 HydrophobicContact CB-CG1 4.32Å; C526-I528 PolarHBondContact O-N 2.98Å; C526-I528 VanDerWaalsContact O-N 3.07Å; C526-I528 VanDerWaalsContact SG-CG1 3.59Å; I528-F530 HydrophobicContact CB-CE2 3.78Å; I528-F530 HydrophobicContact CB-CZ 3.81Å; I528-F530 HydrophobicContact CG2-CE1 4.09Å; I528-F530 HydrophobicContact CG2-CE2 3.83Å; I528-F530 HydrophobicContact CG2-CZ 3.56Å; I528-F530 WeakPolarHBondContact O-CD2 3.36Å; I528-F530 WeakPolarHBondContact O-CE2 3.43Å | ||
| 529 | E | 90.3 | Very high | 86.8 | Confident | 108 Ų | 108 | 86.8 Ų | 86.8 | 51% | 0.505 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.5 | 176.7 | -170.8 | 168.9 | -179.7 | 0 | 0 | 110.5 | K520 I522 | K520-E529 VanDerWaalsContact CD-OE1 3.3Å; K520-E529 WeakPolarHBondContact CD-OE1 3.33Å; K520-E529 VanDerWaalsContact CG-OE1 3.29Å; K520-E529 WeakPolarHBondContact CG-OE1 3.27Å; K520-E529 IonicContact NZ-OE1 3.99Å; K520-E529 IonicContact NZ-OE2 3.21Å; K520-E529 PolarHBondContact NZ-OE2 3.41Å; I522-E529 HydrophobicContact CG2-CB 4.04Å; I522-E529 HydrophobicContact CG2-CG 4.27Å |
| 530 | F | 90.8 | Very high | 88.2 | Confident | 34 Ų | 34 | 82 Ų | 82 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136 | -177 | -66.1 | -83.5 | 0 | 0 | 0 | 110.9 | I521 C523 I528 S532 A535 L536 H539 | I521-F530 HydrophobicContact CG2-CB 4.4Å; I521-F530 PolarHBondContact O-N 2.76Å; C523-F530 HydrophobicContact CB-CE2 3.81Å; I528-F530 HydrophobicContact CB-CE2 3.78Å; I528-F530 HydrophobicContact CB-CZ 3.81Å; I528-F530 HydrophobicContact CG2-CE1 4.09Å; I528-F530 HydrophobicContact CG2-CE2 3.83Å; I528-F530 HydrophobicContact CG2-CZ 3.56Å; I528-F530 WeakPolarHBondContact O-CD2 3.36Å; I528-F530 WeakPolarHBondContact O-CE2 3.43Å; F530-S532 PolarHBondContact O-N 2.94Å; F530-A535 HydrophobicContact CB-CB 4.19Å; F530-A535 HydrophobicContact CD1-CB 3.9Å; F530-A535 HydrophobicContact CG-CB 4.47Å; F530-L536 HydrophobicContact CB-CB 4.06Å; F530-L536 HydrophobicContact CD2-CB 3.91Å; F530-L536 HydrophobicContact CD2-CD1 3.57Å; F530-L536 HydrophobicContact CD2-CG 4.34Å; F530-L536 HydrophobicContact CE2-CD1 3.7Å; F530-L536 HydrophobicContact CG-CB 3.96Å; F530-L536 HydrophobicContact CG-CD1 4.44Å; F530-H539 HydrophobicContact CD1-CB 4.36Å; F530-H539 HydrophobicContact CE1-CB 3.41Å; F530-H539 VanDerWaalsContact CE1-CB 3.41Å; F530-H539 AromaticContact CE1-CG 3.82Å; F530-H539 HydrophobicContact CE2-CB 4.1Å; F530-H539 AromaticContact CE2-CD2 3.85Å; F530-H539 AromaticContact CE2-CG 3.89Å; F530-H539 HydrophobicContact CZ-CB 3.27Å; F530-H539 AromaticContact CZ-CD2 3.58Å; F530-H539 AromaticContact CZ-CG 3.15Å; F530-H539 AromaticContact CZ-ND1 3.63Å |
| 531 | Q | 85.3 | Confident | 88.7 | Confident | 207 Ų | 207 | 84.5 Ų | 84.5 | 97% | 0.967 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -69.9 | -16.5 | -179.4 | -62.2 | 175.4 | 7.6 | 0 | 0 | 113.2 | ||
| 532 | S | 87.8 | Confident | 88.8 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -150.2 | 156.7 | 176.1 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | F530 N534 A535 L536 | F530-S532 PolarHBondContact O-N 2.94Å; S532-N534 PolarHBondContact O-N 3.17Å; S532-N534 PolarHBondContact OG-N 2.94Å; S532-A535 PolarHBondContact O-N 3.5Å; S532-A535 VanDerWaalsContact O-N 3.16Å; S532-A535 PolarHBondContact OG-N 3.37Å; S532-A535 VanDerWaalsContact OG-N 3.13Å; S532-L536 PolarHBondContact O-N 3.42Å; S532-L536 VanDerWaalsContact O-N 3.13Å |
| 533 | R | 87.5 | Confident | 88.7 | Confident | 164 Ų | 164 | 88.3 Ų | 88.3 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.8 | -31.7 | 172.7 | -166.2 | -177.9 | 175.1 | 86.3 | 1.9 | 111.8 | I521 L536 F537 | I521-R533 HydrophobicContact CD1-CB 4.17Å; R533-L536 PolarHBondContact O-N 2.92Å; R533-F537 HydrophobicContact CG-CD2 3.92Å; R533-F537 HydrophobicContact CG-CE2 3.59Å; R533-F537 VanDerWaalsContact NE-CE2 3.32Å; R533-F537 WeakPolarHBondContact O-CD2 3.47Å; R533-F537 PolarHBondContact O-N 2.85Å |
| 534 | N | 88.3 | Confident | 88.5 | Confident | 117 Ų | 117 | 91.3 Ų | 91.3 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.6 | -40.8 | 177.9 | -133.5 | 23.6 | 0 | 0 | 0 | 111.5 | S532 F537 I538 | S532-N534 PolarHBondContact O-N 3.17Å; S532-N534 PolarHBondContact OG-N 2.94Å; N534-F537 PolarHBondContact O-N 2.72Å; N534-I538 WeakPolarHBondContact O-CG1 3.25Å; N534-I538 PolarHBondContact O-N 3.28Å |
| 535 | A | 89.9 | Confident | 88.7 | Confident | 33 Ų | 33 | 88.2 Ų | 88.2 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F530 S532 I538 H539 | F530-A535 HydrophobicContact CB-CB 4.19Å; F530-A535 HydrophobicContact CD1-CB 3.9Å; F530-A535 HydrophobicContact CG-CB 4.47Å; S532-A535 PolarHBondContact O-N 3.5Å; S532-A535 VanDerWaalsContact O-N 3.16Å; S532-A535 PolarHBondContact OG-N 3.37Å; S532-A535 VanDerWaalsContact OG-N 3.13Å; A535-I538 PolarHBondContact O-N 2.88Å; A535-H539 WeakPolarHBondContact O-CB 3.34Å; A535-H539 PolarHBondContact O-N 3.35Å |
| 536 | L | 90.2 | Very high | 88.4 | Confident | 23 Ų | 23 | 87.9 Ų | 87.9 | 12% | 0.12 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 170.9 | 175 | 65.1 | 0 | 0 | 0 | 111.4 | I521 C523 F530 S532 R533 H539 L540 | I521-L536 HydrophobicContact CG2-CB 3.75Å; I521-L536 HydrophobicContact CG2-CD2 3.48Å; I521-L536 VanDerWaalsContact CG2-CD2 3.48Å; I521-L536 HydrophobicContact CG2-CG 4.18Å; C523-L536 HydrophobicContact CB-CD1 3.68Å; F530-L536 HydrophobicContact CB-CB 4.06Å; F530-L536 HydrophobicContact CD2-CB 3.91Å; F530-L536 HydrophobicContact CD2-CD1 3.57Å; F530-L536 HydrophobicContact CD2-CG 4.34Å; F530-L536 HydrophobicContact CE2-CD1 3.7Å; F530-L536 HydrophobicContact CG-CB 3.96Å; F530-L536 HydrophobicContact CG-CD1 4.44Å; S532-L536 PolarHBondContact O-N 3.42Å; S532-L536 VanDerWaalsContact O-N 3.13Å; R533-L536 PolarHBondContact O-N 2.92Å; L536-H539 CarbonylContact O-C 3.42Å; L536-H539 WeakPolarHBondContact O-CB 3.36Å; L536-H539 PolarHBondContact O-N 2.83Å; L536-L540 HydrophobicContact CD1-CD1 4.2Å; L536-L540 HydrophobicContact CD1-CD2 4.39Å; L536-L540 HydrophobicContact CD1-CG 4Å; L536-L540 HydrophobicContact CD2-CD1 4.37Å; L536-L540 HydrophobicContact CG-CD1 3.88Å; L536-L540 HydrophobicContact CG-CG 4.16Å; L536-L540 WeakPolarHBondContact O-CB 3.32Å; L536-L540 VanDerWaalsContact O-CG 3.25Å; L536-L540 WeakPolarHBondContact O-CG 3.5Å; L536-L540 PolarHBondContact O-N 2.89Å |
| 537 | F | 90.2 | Very high | 87.5 | Confident | 100 Ų | 100 | 94.4 Ų | 94.4 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.5 | -82.3 | -61.6 | 0 | 0 | 0 | 113.3 | R533 N534 H539 L540 K541 | R533-F537 HydrophobicContact CG-CD2 3.92Å; R533-F537 HydrophobicContact CG-CE2 3.59Å; R533-F537 VanDerWaalsContact NE-CE2 3.32Å; R533-F537 WeakPolarHBondContact O-CD2 3.47Å; R533-F537 PolarHBondContact O-N 2.85Å; N534-F537 PolarHBondContact O-N 2.72Å; F537-H539 VanDerWaalsContact C-N 3.29Å; F537-H539 PolarHBondContact O-N 3.17Å; F537-L540 HydrophobicContact CD1-CD1 4.28Å; F537-L540 PolarHBondContact O-N 3.13Å; F537-K541 WeakPolarHBondContact O-CB 3.23Å; F537-K541 PolarHBondContact O-N 2.83Å |
| 538 | I | 88.7 | Confident | 86 | Confident | 91 Ų | 91 | 95.3 Ų | 95.3 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.4 | -67.6 | 166.6 | 0 | 0 | 0 | 109.4 | N534 A535 K541 Q542 | N534-I538 WeakPolarHBondContact O-CG1 3.25Å; N534-I538 PolarHBondContact O-N 3.28Å; A535-I538 PolarHBondContact O-N 2.88Å; I538-K541 PolarHBondContact O-N 3.47Å; I538-Q542 HydrophobicContact CG2-CG 4.48Å; I538-Q542 WeakPolarHBondContact O-CB 3.2Å; I538-Q542 WeakPolarHBondContact O-CG 3.39Å; I538-Q542 PolarHBondContact O-N 3.21Å |
| 539 | H | 91.4 | Very high | 84.8 | Confident | 28 Ų | 28 | 100.8 Ų | 100.8 | 13% | 0.13 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 174.9 | 170.7 | 76.8 | 0 | 0 | 0 | 112.1 | C523 C526 F530 A535 L536 F537 K541 Q542 S543 H545 | C523-H539 PolarHBondContact SG-NE2 2.86Å; C526-H539 PolarHBondContact SG-CE1 3.44Å; C526-H539 PolarHBondContact SG-NE2 3.09Å; F530-H539 HydrophobicContact CD1-CB 4.36Å; F530-H539 HydrophobicContact CE1-CB 3.41Å; F530-H539 VanDerWaalsContact CE1-CB 3.41Å; F530-H539 AromaticContact CE1-CG 3.82Å; F530-H539 HydrophobicContact CE2-CB 4.1Å; F530-H539 AromaticContact CE2-CD2 3.85Å; F530-H539 AromaticContact CE2-CG 3.89Å; F530-H539 HydrophobicContact CZ-CB 3.27Å; F530-H539 AromaticContact CZ-CD2 3.58Å; F530-H539 AromaticContact CZ-CG 3.15Å; F530-H539 AromaticContact CZ-ND1 3.63Å; A535-H539 WeakPolarHBondContact O-CB 3.34Å; A535-H539 PolarHBondContact O-N 3.35Å; L536-H539 CarbonylContact O-C 3.42Å; L536-H539 WeakPolarHBondContact O-CB 3.36Å; L536-H539 PolarHBondContact O-N 2.83Å; F537-H539 VanDerWaalsContact C-N 3.29Å; F537-H539 PolarHBondContact O-N 3.17Å; H539-K541 PolarHBondContact O-N 3.4Å; H539-Q542 PolarHBondContact O-N 3.03Å; H539-Q542 VanDerWaalsContact O-N 3.13Å; H539-S543 PolarHBondContact CE1-OG 3.08Å; H539-S543 PolarHBondContact NE2-OG 3.22Å; H539-S543 VanDerWaalsContact NE2-OG 3.16Å; H539-S543 WeakPolarHBondContact O-CB 3.47Å; H539-S543 PolarHBondContact O-N 3.23Å; H539-S543 PolarHBondContact O-OG 2.89Å; H539-H545 AromaticContact CE1-ND1 3.61Å; H539-H545 AromaticContact NE2-CE1 3.82Å; H539-H545 AromaticContact NE2-CG 3.94Å; H539-H545 AromaticContact NE2-ND1 3Å; H539-H545 PolarHBondContact NE2-ND1 2.82Å |
| 540 | L | 91.8 | Very high | 82.8 | Confident | 33 Ų | 33 | 105 Ų | 105 | 17% | 0.173 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -57.3 | -36 | 179.8 | -70.1 | 170.3 | 0 | 0 | 0 | 112.2 | L536 F537 G544 H545 | L536-L540 HydrophobicContact CD1-CD1 4.2Å; L536-L540 HydrophobicContact CD1-CD2 4.39Å; L536-L540 HydrophobicContact CD1-CG 4Å; L536-L540 HydrophobicContact CD2-CD1 4.37Å; L536-L540 HydrophobicContact CG-CD1 3.88Å; L536-L540 HydrophobicContact CG-CG 4.16Å; L536-L540 WeakPolarHBondContact O-CB 3.32Å; L536-L540 VanDerWaalsContact O-CG 3.25Å; L536-L540 WeakPolarHBondContact O-CG 3.5Å; L536-L540 PolarHBondContact O-N 2.89Å; F537-L540 HydrophobicContact CD1-CD1 4.28Å; F537-L540 PolarHBondContact O-N 3.13Å; L540-G544 WeakPolarHBondContact O-CA 3.48Å; L540-G544 PolarHBondContact O-N 3.24Å; L540-G544 VanDerWaalsContact O-N 3.12Å; L540-H545 HydrophobicContact CD2-CB 3.82Å; L540-H545 WeakPolarHBondContact CD2-O 3.48Å |
| 541 | K | 88.6 | Confident | 80.4 | Confident | 194 Ų | 194 | 110.8 Ų | 110.8 | 84% | 0.843 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.3 | -36.8 | 177.8 | -167.8 | 176.3 | -178.5 | -178.5 | 0 | 112.4 | F537 I538 H539 | F537-K541 WeakPolarHBondContact O-CB 3.23Å; F537-K541 PolarHBondContact O-N 2.83Å; I538-K541 PolarHBondContact O-N 3.47Å; H539-K541 PolarHBondContact O-N 3.4Å |
| 542 | Q | 88.5 | Confident | 78.3 | Confident | 161 Ų | 161 | 108.8 Ų | 108.8 | 75% | 0.752 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -80.1 | -36 | 179 | -72.3 | 175.4 | -19.4 | 0 | 0 | 113.1 | I538 H539 | I538-Q542 HydrophobicContact CG2-CG 4.48Å; I538-Q542 WeakPolarHBondContact O-CB 3.2Å; I538-Q542 WeakPolarHBondContact O-CG 3.39Å; I538-Q542 PolarHBondContact O-N 3.21Å; H539-Q542 PolarHBondContact O-N 3.03Å; H539-Q542 VanDerWaalsContact O-N 3.13Å |
| 543 | S | 86.9 | Confident | 76 | Confident | 42 Ų | 42 | 113.2 Ų | 113.2 | 29% | 0.294 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -94.3 | -11.3 | -175.5 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | H539 H545 | H539-S543 PolarHBondContact CE1-OG 3.08Å; H539-S543 PolarHBondContact NE2-OG 3.22Å; H539-S543 VanDerWaalsContact NE2-OG 3.16Å; H539-S543 WeakPolarHBondContact O-CB 3.47Å; H539-S543 PolarHBondContact O-N 3.23Å; H539-S543 PolarHBondContact O-OG 2.89Å; S543-H545 PolarHBondContact O-CD2 3.4Å; S543-H545 PolarHBondContact O-N 3.35Å; S543-H545 WeakPolarHBondContact OG-CB 3.41Å; S543-H545 PolarHBondContact OG-N 3.35Å; S543-H545 PolarHBondContact OG-ND1 2.98Å; S543-H545 VanDerWaalsContact OG-ND1 3.14Å |
| 544 | G | 85.5 | Confident | 73.7 | Confident | 63 Ų | 63 | 111.1 Ų | 111.1 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | trans | 68 | 13.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | L540 A546 | L540-G544 WeakPolarHBondContact O-CA 3.48Å; L540-G544 PolarHBondContact O-N 3.24Å; L540-G544 VanDerWaalsContact O-N 3.12Å; G544-A546 PolarHBondContact O-N 2.96Å | ||
| 545 | H | 88.5 | Confident | 71.2 | Confident | 52 Ų | 52 | 111.1 Ų | 111.1 | 24% | 0.241 | 59% | 0.589 | C | S | . | * | trans | -74.2 | 9.9 | -177.4 | -69.6 | 169.4 | 0 | 0 | 0 | 114.7 | C523 T525 C526 H539 L540 S543 K547 | C523-H545 VanDerWaalsContact SG-CB 3.55Å; C523-H545 PolarHBondContact SG-ND1 3.01Å; T525-H545 VanDerWaalsContact CB-CG 3.48Å; T525-H545 HydrophobicContact CG2-CB 4.28Å; T525-H545 PolarHBondContact OG1-O 3.48Å; C526-H545 VanDerWaalsContact CB-CE1 3.48Å; C526-H545 WeakPolarHBondContact CB-CE1 3.29Å; H539-H545 AromaticContact CE1-ND1 3.61Å; H539-H545 AromaticContact NE2-CE1 3.82Å; H539-H545 AromaticContact NE2-CG 3.94Å; H539-H545 AromaticContact NE2-ND1 3Å; H539-H545 PolarHBondContact NE2-ND1 2.82Å; L540-H545 HydrophobicContact CD2-CB 3.82Å; L540-H545 WeakPolarHBondContact CD2-O 3.48Å; S543-H545 PolarHBondContact O-CD2 3.4Å; S543-H545 PolarHBondContact O-N 3.35Å; S543-H545 WeakPolarHBondContact OG-CB 3.41Å; S543-H545 PolarHBondContact OG-N 3.35Å; S543-H545 PolarHBondContact OG-ND1 2.98Å; S543-H545 VanDerWaalsContact OG-ND1 3.14Å; H545-K547 PolarHBondContact O-N 3.05Å | ||
| 546 | A | 80.9 | Confident | 68.8 | Low | 70 Ų | 70 | 115.5 Ų | 115.5 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | trans | -69.8 | 109.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G544 | G544-A546 PolarHBondContact O-N 2.96Š| ||
| 547 | K | 71.9 | Confident | 66.2 | Low | 180 Ų | 180 | 120 Ų | 120 | 78% | 0.783 | 65% | 0.65 | S | S | * | * | trans | -81.4 | 122.6 | 176.6 | -161.9 | 170.1 | -173.6 | 172.4 | 0 | 110.6 | H545 K549 | H545-K547 PolarHBondContact O-N 3.05Å; K547-K549 PolarHBondContact O-N 3.28Å | ||
| 548 | L | 55.5 | Low | 63.7 | Low | 166 Ų | 166 | 120.4 Ų | 120.4 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | trans | -63.5 | 121.6 | 172.4 | -72.6 | 166 | 0 | 0 | 0 | 109.8 | K550 | L548-K550 PolarHBondContact O-N 3.04Š| ||
| 549 | K | 62.5 | Low | 61 | Low | 199 Ų | 199 | 120.9 Ų | 120.9 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | trans | -73.3 | 108.6 | 172.1 | -149.6 | 178.7 | -172.6 | -174.9 | 0 | 107 | K547 L551 | K547-K549 PolarHBondContact O-N 3.28Å; K549-L551 PolarHBondContact O-N 2.97Å | ||
| 550 | K | 48 | Very low | 58.3 | Low | 197 Ų | 197 | 126.1 Ų | 126.1 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -55.7 | 114.6 | 173.5 | -71.1 | -174.5 | 177.4 | -174.1 | 0 | 108.6 | L548 N552 | L548-K550 PolarHBondContact O-N 3.04Å; K550-N552 PolarHBondContact O-N 3.02Å | ||
| 551 | L | 40.3 | Very low | 55.4 | Low | 155 Ų | 155 | 130.5 Ų | 130.5 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -73.5 | 117.4 | 167.3 | -71.5 | 169.9 | 0 | 0 | 0 | 107.2 | K549 I553 | K549-L551 PolarHBondContact O-N 2.97Å; L551-I553 PolarHBondContact O-N 3.26Å | ||
| 552 | N | 41.1 | Very low | 53 | Low | 164 Ų | 164 | 128.1 Ų | 128.1 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | -70.8 | 105.3 | 166.1 | -92.3 | -3.4 | 0 | 0 | 0 | 107.7 | K550 | K550-N552 PolarHBondContact O-N 3.02Š| ||
| 553 | I | 39.9 | Very low | 50.4 | Low | 146 Ų | 146 | 127.8 Ų | 127.8 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -97.5 | 120.4 | 165.1 | -55.4 | 172.1 | 0 | 0 | 0 | 106.3 | L551 S555 | L551-I553 PolarHBondContact O-N 3.26Å; I553-S555 PolarHBondContact O-N 3.05Å | ||
| 554 | P | 39 | Very low | 48.1 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 120.9 | 174.8 | 27.7 | -28.4 | 0 | 0 | 0 | 109.7 | S556 | P554-S556 PolarHBondContact O-N 3.46Š| ||
| 555 | S | 36.1 | Very low | 45.9 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -77.5 | 114.7 | 173.6 | 42.4 | 0 | 0 | 0 | 0 | 110.7 | I553 | I553-S555 PolarHBondContact O-N 3.05Š| ||
| 556 | S | 38.8 | Very low | 43.5 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -70 | 122.4 | 166.5 | 48 | 0 | 0 | 0 | 0 | 110.3 | P554 | P554-S556 PolarHBondContact O-N 3.46Š| ||
| 557 | S | 36.8 | Very low | 41.4 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -86.8 | 132.7 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | S559 | S557-S559 PolarHBondContact O-N 2.87Š| ||
| 558 | S | 37.3 | Very low | 40 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -82.9 | 104.5 | 164.3 | 45.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 559 | S | 31.7 | Very low | 39.2 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 83% | 0.828 | S | S | * | * | trans | 32.3 | 110.7 | 137.6 | 50.9 | 0 | 0 | 0 | 0 | 120 | S557 | S557-S559 PolarHBondContact O-N 2.87Š| ||
| 560 | T | 34.5 | Very low | 38.1 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -146.1 | 123.3 | 131.2 | -36.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 561 | T | 31.7 | Very low | 37.6 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | -22.8 | 133.3 | 173.4 | 48.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 562 | T | 38.2 | Very low | 37.7 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | -166 | 132.3 | 121.8 | 29.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 563 | N | 33.2 | Very low | 37.6 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -68.1 | 137.8 | -178.2 | -69.9 | -52.9 | 0 | 0 | 0 | 112.1 | ||||
| 564 | N | 40 | Very low | 37.6 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | -164.8 | 138.1 | 129.6 | -95.9 | -31.6 | 0 | 0 | 0 | 111.6 | |||||
| 565 | K | 37.5 | Very low | 37.6 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | -73.1 | 147.1 | -169 | -68.7 | 163.7 | 172.3 | 171.2 | 0 | 112.6 | ||||
| 566 | D | 38.7 | Very low | 38 | Very low | 165 Ų | 165 | 160.4 Ų | 160.4 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | trans | -172.6 | 121.8 | 134 | -90.8 | -26.2 | 0 | 0 | 0 | 110.6 | ||||
| 567 | P | 37.3 | Very low | 38.2 | Very low | 111 Ų | 111 | 163.4 Ų | 163.4 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | trans | -117.1 | 131 | 175.1 | 35.7 | -22.5 | 0 | 0 | 0 | 112.4 | ||||
| 568 | F | 41.5 | Very low | 38.5 | Very low | 215 Ų | 215 | 169.5 Ų | 169.5 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | trans | -164.9 | 110.2 | 156.6 | -116.5 | -83.4 | 0 | 0 | 0 | 109.6 | ||||
| 569 | N | 38.9 | Very low | 38.9 | Very low | 160 Ų | 160 | 174.1 Ų | 174.1 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | 161.1 | 129.9 | 117.8 | -156.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 570 | E | 40.1 | Very low | 39.7 | Very low | 152 Ų | 152 | 179.6 Ų | 179.6 | 71% | 0.71 | 86% | 0.856 | S | S | * | * | trans | -105.8 | 159.4 | -160.3 | -138.2 | -173.5 | 140 | 0 | 0 | 110.3 | ||||
| 571 | N | 37.4 | Very low | 40.3 | Very low | 125 Ų | 125 | 178.5 Ų | 178.5 | 67% | 0.668 | 85% | 0.854 | S | S | * | * | trans | 72.4 | 102.1 | 148.2 | -64.5 | -36 | 0 | 0 | 0 | 120.7 | ||||
| 572 | K | 41.7 | Very low | 41.3 | Very low | 201 Ų | 201 | 182.9 Ų | 182.9 | 87% | 0.874 | 86% | 0.862 | S | S | * | * | -162.6 | 126.7 | 125.1 | -116.9 | 166.1 | -177 | 165.4 | 0 | 113.7 | |||||
| 573 | K | 39.4 | Very low | 41.8 | Very low | 200 Ų | 200 | 185.7 Ų | 185.7 | 87% | 0.87 | 89% | 0.886 | S | S | * | * | trans | 86 | 75.5 | 154.9 | -69.1 | 177.9 | 171.9 | 175 | 0 | 119.3 | ||||
| 574 | K | 40.1 | Very low | 42.3 | Very low | 214 Ų | 214 | 187.3 Ų | 187.3 | 93% | 0.93 | 89% | 0.889 | S | S | * | * | trans | -89.1 | 118 | 132.5 | -84.4 | 179.5 | 175.3 | 175.8 | 0 | 108.8 | ||||
| 575 | R | 39.5 | Very low | 42.4 | Very low | 243 Ų | 243 | 188.2 Ų | 188.2 | 92% | 0.917 | 89% | 0.888 | S | S | * | * | trans | -174.1 | 99.1 | 154 | -148.5 | 170.9 | 175.3 | 169.4 | -2.2 | 110.5 | ||||
| 576 | K | 43.2 | Very low | 42.7 | Very low | 209 Ų | 209 | 188.1 Ų | 188.1 | 91% | 0.909 | 89% | 0.891 | S | S | * | * | trans | 167.8 | 76.7 | 146.4 | -95.8 | 174.6 | -179.7 | -176.3 | 0 | 110.2 | ||||
| 577 | E | 43.2 | Very low | 42.9 | Very low | 187 Ų | 187 | 189.4 Ų | 189.4 | 87% | 0.874 | 89% | 0.892 | S | S | * | * | trans | -150.1 | 150.1 | 152.4 | -105.5 | 176.2 | -177.3 | 0 | 0 | 106 | ||||
| 578 | R | 44 | Very low | 43.3 | Very low | 245 Ų | 245 | 194.3 Ų | 194.3 | 93% | 0.925 | 90% | 0.902 | S | S | * | * | trans | 87.7 | 89.6 | -166.1 | -58.4 | -178.3 | 152.5 | -167.5 | -6.9 | 115.3 | ||||
| 579 | K | 45.9 | Very low | 43.4 | Very low | 205 Ų | 205 | 192.9 Ų | 192.9 | 89% | 0.891 | 90% | 0.9 | S | S | * | * | trans | -179.6 | 99.5 | 130.8 | -99.5 | 175 | -176.2 | -172.6 | 0 | 108.5 | ||||
| 580 | K | 48.4 | Very low | 43.7 | Very low | 218 Ų | 218 | 195.3 Ų | 195.3 | 95% | 0.948 | 90% | 0.903 | S | S | * | * | trans | 175 | 82.3 | 144.6 | -98.1 | 171.6 | -179.7 | -171.4 | 0 | 109.1 | ||||
| 581 | S | 46.2 | Very low | 44 | Very low | 115 Ų | 115 | 198.6 Ų | 198.6 | 80% | 0.804 | 92% | 0.918 | S | S | * | * | trans | -132.6 | 124.6 | 143.7 | 67.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 582 | K | 53.9 | Low | 44.5 | Very low | 215 Ų | 215 | 204.8 Ų | 204.8 | 94% | 0.935 | 94% | 0.938 | S | S | * | * | trans | 140.4 | 72 | 177.3 | -87.2 | -176 | 174.9 | -177.7 | 0 | 108.9 | ||||
| 583 | C | 48.9 | Very low | 44.8 | Very low | 205 Ų | 205 | 205.1 Ų | 205.1 | 100% | 1.385 | 94% | 0.944 | S | S | * | * | -158.7 | 0 | 123 | -149.9 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 583 of 583 residues in 134.3 ms
(Link to these results)