| 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 | 58.3 | Low | 80.8 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | 0 | 105.2 | 0 | -82 | -78.9 | -79.7 | 0 | 0 | 109.7 | D3 R4 K5 S135 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 HydrophobicContact CE-CB 4.39Å; M1-D3 PolarHBondContact O-N 3.22Å; M1-R4 PolarHBondContact O-N 2.58Å; M1-K5 PolarHBondContact O-N 2.78Å; M1-K5 VanDerWaalsContact O-N 3.12Å; M1-S135 WeakPolarHBondContact SD-CB 3.43Å | |||
| 2 | I | 70.8 | Confident | 81.7 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 178 | -68.5 | 172.7 | 0 | 0 | 0 | 110.5 | R4 K5 A6 L9 Y10 W46 | I2-R4 PolarHBondContact O-N 3.46Å; I2-K5 PolarHBondContact O-N 3.04Å; I2-A6 CarbonylContact O-C 3.57Å; I2-A6 WeakPolarHBondContact O-CA 3.22Å; I2-A6 PolarHBondContact O-N 3.43Å; I2-L9 HydrophobicContact CG2-CB 4.02Å; I2-L9 HydrophobicContact CG2-CD1 3.99Å; I2-Y10 HydrophobicContact CB-CE2 4.31Å; I2-Y10 HydrophobicContact CG2-CD2 4.37Å; I2-Y10 HydrophobicContact CG2-CE2 3.67Å; I2-W46 HydrophobicContact CD1-CD2 3.61Å; I2-W46 HydrophobicContact CD1-CE3 3.18Å; I2-W46 HydrophobicContact CD1-CG 4.39Å; I2-W46 HydrophobicContact CD1-CH2 3.92Å; I2-W46 HydrophobicContact CD1-CZ2 4.27Å; I2-W46 HydrophobicContact CD1-CZ3 3.36Å |
| 3 | D | 70.4 | Confident | 82.3 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50.6 | -31 | 177.7 | -70.5 | -78.9 | 0 | 0 | 0 | 115.3 | M1 P7 Y10 R128 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 HydrophobicContact CE-CB 4.39Å; M1-D3 PolarHBondContact O-N 3.22Å; D3-P7 WeakPolarHBondContact O-CB 3.41Å; D3-Y10 HydrophobicContact CB-CE2 4.32Å; D3-Y10 VanDerWaalsContact CG-CE2 3.49Å; D3-Y10 WeakPolarHBondContact OD1-CE2 3.47Å; D3-Y10 PolarHBondContact OD2-OH 3.11Å; D3-R128 WeakPolarHBondContact OD1-CG 3.4Å; D3-R128 IonicContact OD1-CZ 3.04Å; D3-R128 IonicContact OD1-NE 3.23Å; D3-R128 PolarHBondContact OD1-NE 3.05Å; D3-R128 IonicContact OD1-NH2 3.89Å |
| 4 | R | 70.8 | Confident | 83 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -99.2 | -43 | 178.3 | -66.1 | -173.9 | -164.5 | 162.4 | 11.7 | 113 | M1 I2 E528 D530 L568 | M1-R4 PolarHBondContact O-N 2.58Å; I2-R4 PolarHBondContact O-N 3.46Å; R4-E528 WeakPolarHBondContact CG-O 3.32Å; R4-D530 PolarHBondContact NH1-O 3.22Å; R4-D530 PolarHBondContact NH2-O 3.15Å; R4-L568 PolarHBondContact NH1-O 3.02Å |
| 5 | K | 79.9 | Confident | 83.8 | Confident | 190 Ų | 190 | 55 Ų | 55 | 83% | 0.826 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -85.2 | -28.8 | -171.3 | -67.2 | -168.9 | 175.4 | -172.8 | 0 | 113.2 | M1 I2 | M1-K5 PolarHBondContact O-N 2.78Å; M1-K5 VanDerWaalsContact O-N 3.12Å; I2-K5 PolarHBondContact O-N 3.04Å |
| 6 | A | 86.4 | Confident | 84.3 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | trans | -150.3 | 57.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I2 L8 L9 L42 | I2-A6 CarbonylContact O-C 3.57Å; I2-A6 WeakPolarHBondContact O-CA 3.22Å; I2-A6 PolarHBondContact O-N 3.43Å; A6-L8 PolarHBondContact O-N 2.77Å; A6-L8 VanDerWaalsContact O-N 3.08Å; A6-L9 HydrophobicContact CB-CD1 3.63Å; A6-L9 HydrophobicContact CB-CG 3.93Å; A6-L9 WeakPolarHBondContact O-CB 3.06Å; A6-L9 WeakPolarHBondContact O-CG 3.29Å; A6-L9 PolarHBondContact O-N 2.88Å; A6-L42 HydrophobicContact CB-CD2 4.38Å | ||
| 7 | P | 85.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 31% | 0.312 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -59 | -24 | -178.8 | 22.3 | -33.2 | 0 | 0 | 0 | 113.5 | D3 L9 Y10 | D3-P7 WeakPolarHBondContact O-CB 3.41Å; P7-L9 PolarHBondContact O-N 3.43Å; P7-L9 VanDerWaalsContact O-N 3.13Å; P7-Y10 PolarHBondContact O-N 2.87Å; P7-Y10 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 89.6 | Confident | 85.3 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -57.5 | -23 | 175.2 | 66.5 | 84.2 | 0 | 0 | 0 | 113 | A6 Y10 E11 V14 F102 L103 | A6-L8 PolarHBondContact O-N 2.77Å; A6-L8 VanDerWaalsContact O-N 3.08Å; L8-Y10 PolarHBondContact O-N 2.96Å; L8-Y10 VanDerWaalsContact O-N 3.16Å; L8-E11 WeakPolarHBondContact O-CB 3.39Å; L8-E11 PolarHBondContact O-N 2.97Å; L8-V14 HydrophobicContact CD1-CG1 3.9Å; L8-V14 HydrophobicContact CD1-CG2 4.34Å; L8-V14 WeakPolarHBondContact O-CB 3.27Å; L8-V14 WeakPolarHBondContact O-CG2 3.35Å; L8-F102 HydrophobicContact CD1-CE2 3.53Å; L8-F102 HydrophobicContact CD1-CZ 3.54Å; L8-L103 HydrophobicContact CD2-CD2 4.44Å |
| 9 | L | 93.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -71.2 | -5.4 | 179.6 | -65.4 | 178.5 | 0 | 0 | 0 | 113.1 | I2 A6 P7 V14 V15 L42 D43 W46 F102 | I2-L9 HydrophobicContact CG2-CB 4.02Å; I2-L9 HydrophobicContact CG2-CD1 3.99Å; A6-L9 HydrophobicContact CB-CD1 3.63Å; A6-L9 HydrophobicContact CB-CG 3.93Å; A6-L9 WeakPolarHBondContact O-CB 3.06Å; A6-L9 WeakPolarHBondContact O-CG 3.29Å; A6-L9 PolarHBondContact O-N 2.88Å; P7-L9 PolarHBondContact O-N 3.43Å; P7-L9 VanDerWaalsContact O-N 3.13Å; L9-V14 HydrophobicContact CD2-CG1 4.23Å; L9-V15 VanDerWaalsContact O-CG2 3.26Å; L9-V15 WeakPolarHBondContact O-CG2 3.46Å; L9-L42 HydrophobicContact CD1-CD1 4.49Å; L9-L42 HydrophobicContact CD1-CD2 4.1Å; L9-L42 HydrophobicContact CD1-CG 3.91Å; L9-D43 HydrophobicContact CD2-CB 3.81Å; L9-W46 HydrophobicContact CB-CG 4.42Å; L9-W46 HydrophobicContact CD1-CB 4.38Å; L9-W46 HydrophobicContact CD1-CG 4.49Å; L9-W46 PolarHBondContact O-NE1 3.13Å; L9-F102 HydrophobicContact CD2-CZ 4.33Å |
| 10 | Y | 92.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -101.5 | -5 | 170.2 | -59.9 | -71.2 | 0 | 0 | 0 | 112.9 | I2 D3 P7 L8 W46 V124 Q125 R128 N131 | I2-Y10 HydrophobicContact CB-CE2 4.31Å; I2-Y10 HydrophobicContact CG2-CD2 4.37Å; I2-Y10 HydrophobicContact CG2-CE2 3.67Å; D3-Y10 HydrophobicContact CB-CE2 4.32Å; D3-Y10 VanDerWaalsContact CG-CE2 3.49Å; D3-Y10 WeakPolarHBondContact OD1-CE2 3.47Å; D3-Y10 PolarHBondContact OD2-OH 3.11Å; P7-Y10 PolarHBondContact O-N 2.87Å; P7-Y10 VanDerWaalsContact O-N 3.12Å; L8-Y10 PolarHBondContact O-N 2.96Å; L8-Y10 VanDerWaalsContact O-N 3.16Å; Y10-W46 HydrophobicContact CD1-CZ2 4.47Å; Y10-W46 AromaticContact CE1-CZ2 3.65Å; Y10-W46 HydrophobicContact CE1-CZ2 3.65Å; Y10-V124 HydrophobicContact CD1-CG1 3.78Å; Y10-V124 HydrophobicContact CE1-CG1 4.37Å; Y10-Q125 PolarHBondContact O-NE2 3.18Å; Y10-R128 HydrophobicContact CD1-CB 4Å; Y10-R128 HydrophobicContact CD1-CG 4.12Å; Y10-R128 HydrophobicContact CD2-CG 4.44Å; Y10-R128 HydrophobicContact CE1-CB 3.48Å; Y10-R128 VanDerWaalsContact CE1-CB 3.48Å; Y10-R128 HydrophobicContact CE1-CG 3.69Å; Y10-R128 HydrophobicContact CE2-CG 4.02Å; Y10-R128 HydrophobicContact CG-CG 4.48Å; Y10-N131 PolarHBondContact OH-ND2 3.46Å |
| 11 | E | 91.2 | Very high | 86.7 | Confident | 92 Ų | 92 | 45.1 Ų | 45.1 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -74.5 | 132.1 | -178.7 | -61.1 | -68.6 | 169 | 0 | 0 | 109.7 | L8 D13 V14 V15 | L8-E11 WeakPolarHBondContact O-CB 3.39Å; L8-E11 PolarHBondContact O-N 2.97Å; E11-D13 VanDerWaalsContact C-N 3.28Å; E11-D13 PolarHBondContact O-N 3.47Å; E11-D13 VanDerWaalsContact O-N 3.17Å; E11-V14 HydrophobicContact CB-CB 4.42Å; E11-V14 HydrophobicContact CB-CG2 4.14Å; E11-V14 PolarHBondContact O-N 3.04Å; E11-V15 WeakPolarHBondContact O-CG2 3.25Å; E11-V15 PolarHBondContact O-N 3.23Å |
| 12 | P | 91.2 | Very high | 88.5 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52.6 | -42.4 | -173.3 | -29.6 | 35.4 | 0 | 0 | 0 | 114.2 | V14 V15 N16 | P12-V14 PolarHBondContact O-N 2.7Å; P12-V15 PolarHBondContact O-N 2.84Å; P12-N16 WeakPolarHBondContact O-CB 3.39Å; P12-N16 PolarHBondContact O-N 3.09Å; P12-N16 PolarHBondContact O-ND2 2.97Å; P12-N16 VanDerWaalsContact O-ND2 3.13Å |
| 13 | D | 89.9 | Confident | 89.7 | Confident | 102 Ų | 102 | 40.1 Ų | 40.1 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.6 | -39.6 | -179.5 | -66.5 | -25.6 | 0 | 0 | 0 | 112.3 | E11 H17 P109 | E11-D13 VanDerWaalsContact C-N 3.28Å; E11-D13 PolarHBondContact O-N 3.47Å; E11-D13 VanDerWaalsContact O-N 3.17Å; D13-H17 WeakPolarHBondContact O-CB 3.32Å; D13-H17 PolarHBondContact O-N 2.89Å; D13-H17 VanDerWaalsContact O-N 3.08Å; D13-P109 HydrophobicContact CB-CG 4.38Å |
| 14 | V | 92.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 20% | 0.2 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -43.2 | 177 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | L8 L9 E11 P12 H17 A18 F102 | L8-V14 HydrophobicContact CD1-CG1 3.9Å; L8-V14 HydrophobicContact CD1-CG2 4.34Å; L8-V14 WeakPolarHBondContact O-CB 3.27Å; L8-V14 WeakPolarHBondContact O-CG2 3.35Å; L9-V14 HydrophobicContact CD2-CG1 4.23Å; E11-V14 HydrophobicContact CB-CB 4.42Å; E11-V14 HydrophobicContact CB-CG2 4.14Å; E11-V14 PolarHBondContact O-N 3.04Å; P12-V14 PolarHBondContact O-N 2.7Å; V14-H17 PolarHBondContact O-N 3.33Å; V14-A18 WeakPolarHBondContact O-CB 3.4Å; V14-A18 PolarHBondContact O-N 3.21Å; V14-F102 HydrophobicContact CG1-CD2 4.45Å; V14-F102 HydrophobicContact CG1-CE2 4.14Å |
| 15 | V | 94 | Very high | 92 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 111 | L9 E11 P12 H17 A18 L19 V47 A121 V124 | L9-V15 VanDerWaalsContact O-CG2 3.26Å; L9-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 WeakPolarHBondContact O-CG2 3.25Å; E11-V15 PolarHBondContact O-N 3.23Å; P12-V15 PolarHBondContact O-N 2.84Å; V15-H17 VanDerWaalsContact C-N 3.32Å; V15-H17 PolarHBondContact O-N 3.21Å; V15-A18 WeakPolarHBondContact O-CB 3.26Å; V15-A18 PolarHBondContact O-N 2.81Å; V15-L19 HydrophobicContact CG1-CD1 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.12Å; V15-V47 HydrophobicContact CG1-CG1 4.49Å; V15-A121 HydrophobicContact CG1-CB 3.96Å; V15-V124 HydrophobicContact CG1-CG2 4.29Å; V15-V124 HydrophobicContact CG2-CG1 3.88Å |
| 16 | N | 92 | Very high | 92.8 | Very high | 68 Ų | 68 | 31.7 Ų | 31.7 | 36% | 0.364 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 177.8 | -72.6 | -30.1 | 0 | 0 | 0 | 112 | P12 L19 R20 | P12-N16 WeakPolarHBondContact O-CB 3.39Å; P12-N16 PolarHBondContact O-N 3.09Å; P12-N16 PolarHBondContact O-ND2 2.97Å; P12-N16 VanDerWaalsContact O-ND2 3.13Å; N16-L19 PolarHBondContact O-N 3.06Å; N16-R20 PolarHBondContact O-N 2.85Å; N16-R20 VanDerWaalsContact O-N 3.17Å |
| 17 | H | 92.3 | Very high | 93.3 | Very high | 14 Ų | 14 | 31 Ų | 31 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 174.9 | -168.6 | 64.5 | 0 | 0 | 0 | 112.6 | D13 V14 V15 L19 R20 R21 E98 S105 P109 | D13-H17 WeakPolarHBondContact O-CB 3.32Å; D13-H17 PolarHBondContact O-N 2.89Å; D13-H17 VanDerWaalsContact O-N 3.08Å; V14-H17 PolarHBondContact O-N 3.33Å; V15-H17 VanDerWaalsContact C-N 3.32Å; V15-H17 PolarHBondContact O-N 3.21Å; H17-L19 VanDerWaalsContact C-N 3.32Å; H17-L19 PolarHBondContact O-N 3.09Å; H17-R20 PolarHBondContact CE1-NH2 2.93Å; H17-R20 PolarHBondContact ND1-NH2 3.29Å; H17-R20 PolarHBondContact NE2-NH2 2.98Å; H17-R20 WeakPolarHBondContact O-CB 3.41Å; H17-R20 PolarHBondContact O-N 2.86Å; H17-R21 WeakPolarHBondContact O-CG 3.35Å; H17-R21 PolarHBondContact O-N 2.99Å; H17-E98 IonicContact CE1-OE1 2.82Å; H17-E98 IonicContact NE2-OE1 3.69Å; H17-S105 PolarHBondContact CE1-OG 3.26Å; H17-S105 VanDerWaalsContact NE2-CB 3.3Å; H17-S105 WeakPolarHBondContact NE2-CB 3.45Å; H17-S105 PolarHBondContact NE2-OG 3.27Å; H17-P109 HydrophobicContact CB-CB 4.22Å; H17-P109 HydrophobicContact CB-CG 4.22Å |
| 18 | A | 95.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V14 V15 R21 Y22 D43 V47 | V14-A18 WeakPolarHBondContact O-CB 3.4Å; V14-A18 PolarHBondContact O-N 3.21Å; V15-A18 WeakPolarHBondContact O-CB 3.26Å; V15-A18 PolarHBondContact O-N 2.81Å; A18-R21 PolarHBondContact O-N 3.13Å; A18-Y22 WeakPolarHBondContact O-CB 3.34Å; A18-Y22 PolarHBondContact O-N 2.91Å; A18-D43 HydrophobicContact CB-CB 3.87Å; A18-V47 HydrophobicContact CB-CG1 3.68Å; A18-V47 HydrophobicContact CB-CG2 4.19Å |
| 19 | L | 95.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.4 | -74.3 | 172.4 | 0 | 0 | 0 | 112.3 | V15 N16 H17 Y22 E23 V47 I120 A121 | V15-L19 HydrophobicContact CG1-CD1 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.12Å; N16-L19 PolarHBondContact O-N 3.06Å; H17-L19 VanDerWaalsContact C-N 3.32Å; H17-L19 PolarHBondContact O-N 3.09Å; L19-Y22 PolarHBondContact O-N 3.31Å; L19-E23 WeakPolarHBondContact O-CB 3.39Å; L19-E23 WeakPolarHBondContact O-CG 3.4Å; L19-E23 PolarHBondContact O-N 2.94Å; L19-V47 HydrophobicContact CD2-CB 4.12Å; L19-V47 HydrophobicContact CD2-CG1 4.22Å; L19-V47 HydrophobicContact CG-CG1 4.33Å; L19-I120 HydrophobicContact CD2-CB 3.71Å; L19-I120 HydrophobicContact CD2-CD1 3.86Å; L19-I120 HydrophobicContact CD2-CG1 4.38Å; L19-I120 HydrophobicContact CD2-CG2 3.66Å; L19-A121 HydrophobicContact CD1-CB 4.18Å |
| 20 | R | 94.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 28.3 Ų | 28.3 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.5 | -54.1 | 171.8 | -178.7 | -168.5 | 66.9 | 96.2 | 8.4 | 110.1 | N16 H17 Y22 E23 T24 E98 Y112 | N16-R20 PolarHBondContact O-N 2.85Å; N16-R20 VanDerWaalsContact O-N 3.17Å; H17-R20 PolarHBondContact CE1-NH2 2.93Å; H17-R20 PolarHBondContact ND1-NH2 3.29Å; H17-R20 PolarHBondContact NE2-NH2 2.98Å; H17-R20 WeakPolarHBondContact O-CB 3.41Å; H17-R20 PolarHBondContact O-N 2.86Å; R20-Y22 VanDerWaalsContact C-N 3.29Å; R20-Y22 PolarHBondContact O-N 3.42Å; R20-E23 PolarHBondContact O-N 3.49Å; R20-T24 HydrophobicContact CG-CG2 4.19Å; R20-T24 WeakPolarHBondContact O-CB 3.49Å; R20-T24 WeakPolarHBondContact O-CG2 3.34Å; R20-T24 PolarHBondContact O-N 3.44Å; R20-T24 PolarHBondContact O-OG1 3.16Å; R20-E98 IonicContact CZ-OE2 2.63Å; R20-E98 IonicContact NH1-OE2 3.13Å; R20-E98 PolarHBondContact NH1-OE2 3.14Å; R20-E98 VanDerWaalsContact NH1-OE2 3.13Å; R20-E98 IonicContact NH2-OE1 2.84Å; R20-E98 PolarHBondContact NH2-OE1 2.83Å; R20-E98 IonicContact NH2-OE2 3.33Å; R20-E98 PolarHBondContact NH2-OE2 2.72Å; R20-Y112 HydrophobicContact CB-CD1 3.63Å; R20-Y112 HydrophobicContact CB-CD2 4.1Å; R20-Y112 HydrophobicContact CB-CE1 4.13Å; R20-Y112 HydrophobicContact CB-CG 3.62Å; R20-Y112 HydrophobicContact CG-CD1 4.17Å; R20-Y112 HydrophobicContact CG-CD2 3.68Å; R20-Y112 HydrophobicContact CG-CE2 4.1Å; R20-Y112 HydrophobicContact CG-CG 3.72Å |
| 21 | R | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -38.4 | -175.7 | -68.2 | 173.3 | 82.2 | -127.2 | 3.7 | 112.4 | H17 A18 F25 W26 D43 V44 W91 E98 P99 Y100 | H17-R21 WeakPolarHBondContact O-CG 3.35Å; H17-R21 PolarHBondContact O-N 2.99Å; A18-R21 PolarHBondContact O-N 3.13Å; R21-F25 HydrophobicContact CB-CD2 4.24Å; R21-F25 HydrophobicContact CG-CD2 4.28Å; R21-F25 HydrophobicContact CG-CE2 4.45Å; R21-F25 WeakPolarHBondContact O-CB 3.49Å; R21-F25 PolarHBondContact O-N 3.36Å; R21-F25 VanDerWaalsContact O-N 3.09Å; R21-W26 PolarHBondContact O-N 3.3Å; R21-W26 VanDerWaalsContact O-N 3.11Å; R21-D43 IonicContact CZ-OD1 2.82Å; R21-D43 IonicContact CZ-OD2 3.96Å; R21-D43 IonicContact NH1-OD1 3.68Å; R21-D43 PolarHBondContact NH1-OD1 3.16Å; R21-D43 IonicContact NH1-OD2 2.84Å; R21-D43 PolarHBondContact NH1-OD2 3.47Å; R21-V44 HydrophobicContact CB-CG2 3.59Å; R21-W91 HydrophobicContact CB-CH2 4.46Å; R21-E98 WeakPolarHBondContact CD-OE1 3.24Å; R21-E98 HydrophobicContact CG-CG 4.26Å; R21-E98 IonicContact CZ-OE1 3.65Å; R21-E98 IonicContact NE-OE1 3.74Å; R21-E98 PolarHBondContact NE-OE1 3.48Å; R21-P99 PolarHBondContact NH2-O 2.85Å; R21-Y100 PolarHBondContact NH2-O 3.12Å |
| 22 | Y | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -61.8 | -50.2 | 175.8 | 169.9 | -115.9 | 0 | 0 | 0 | 112.1 | A18 L19 R20 W26 L27 V44 V47 W48 H51 Y58 I120 | A18-Y22 WeakPolarHBondContact O-CB 3.34Å; A18-Y22 PolarHBondContact O-N 2.91Å; L19-Y22 PolarHBondContact O-N 3.31Å; R20-Y22 VanDerWaalsContact C-N 3.29Å; R20-Y22 PolarHBondContact O-N 3.42Å; Y22-W26 HydrophobicContact CD2-CB 4.41Å; Y22-W26 AromaticContact CD2-CD1 3.94Å; Y22-W26 PolarHBondContact O-N 2.97Å; Y22-L27 HydrophobicContact CD2-CG 4.17Å; Y22-L27 HydrophobicContact CE1-CD1 3.86Å; Y22-L27 HydrophobicContact CE1-CG 4.29Å; Y22-L27 HydrophobicContact CE2-CD1 4.12Å; Y22-L27 HydrophobicContact CE2-CD2 3.68Å; Y22-L27 HydrophobicContact CE2-CG 3.64Å; Y22-L27 PolarHBondContact O-N 3.14Å; Y22-V44 HydrophobicContact CD2-CG1 4.25Å; Y22-V47 HydrophobicContact CD1-CG2 4.26Å; Y22-V47 HydrophobicContact CD2-CG2 4.44Å; Y22-V47 HydrophobicContact CG-CG2 3.85Å; Y22-W48 HydrophobicContact CD2-CB 3.85Å; Y22-W48 HydrophobicContact CD2-CG 4.28Å; Y22-W48 HydrophobicContact CE2-CB 3.55Å; Y22-W48 AromaticContact CE2-CD1 3.58Å; Y22-W48 HydrophobicContact CE2-CD2 4.43Å; Y22-W48 AromaticContact CE2-CG 3.57Å; Y22-W48 HydrophobicContact CE2-CG 3.57Å; Y22-W48 AromaticContact CZ-CD1 3.94Å; Y22-H51 AromaticContact CE1-ND1 3.67Å; Y22-H51 AromaticContact CZ-ND1 3.75Å; Y22-H51 PolarHBondContact OH-ND1 2.86Å; Y22-Y58 WeakPolarHBondContact OH-CE2 3.47Å; Y22-I120 HydrophobicContact CE1-CD1 4.24Å |
| 23 | E | 95.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -77.5 | -35.1 | -176 | -69.4 | 178.5 | -163.8 | 0 | 0 | 113.6 | L19 R20 P28 L65 Y112 T114 K115 C116 | L19-E23 WeakPolarHBondContact O-CB 3.39Å; L19-E23 WeakPolarHBondContact O-CG 3.4Å; L19-E23 PolarHBondContact O-N 2.94Å; R20-E23 PolarHBondContact O-N 3.49Å; E23-P28 WeakPolarHBondContact O-CD 3.13Å; E23-L65 HydrophobicContact CG-CD1 4.38Å; E23-Y112 HydrophobicContact CB-CE1 4.48Å; E23-Y112 WeakPolarHBondContact CB-OH 3.39Å; E23-Y112 VanDerWaalsContact OE2-CE1 3.31Å; E23-Y112 WeakPolarHBondContact OE2-CE1 3.17Å; E23-Y112 VanDerWaalsContact OE2-CZ 3.3Å; E23-Y112 PolarHBondContact OE2-OH 2.88Å; E23-T114 WeakPolarHBondContact OE1-CB 3.39Å; E23-T114 PolarHBondContact OE1-OG1 3.09Å; E23-K115 PolarHBondContact OE1-N 2.87Å; E23-K115 WeakPolarHBondContact OE2-CB 3.28Å; E23-K115 PolarHBondContact OE2-N 3.22Å; E23-C116 PolarHBondContact OE1-SG 2.83Å |
| 24 | T | 93.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 29.2 Ų | 29.2 | 28% | 0.282 | 17% | 0.166 | S | C | . | . | I | π-helix | trans | -92.3 | -24 | -173.8 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | R20 Y112 | R20-T24 HydrophobicContact CG-CG2 4.19Å; R20-T24 WeakPolarHBondContact O-CB 3.49Å; R20-T24 WeakPolarHBondContact O-CG2 3.34Å; R20-T24 PolarHBondContact O-N 3.44Å; R20-T24 PolarHBondContact O-OG1 3.16Å; T24-Y112 HydrophobicContact CG2-CE2 3.7Å |
| 25 | F | 95 | Very high | 95.2 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -121.5 | -57.9 | -175.3 | -56.9 | -62.3 | 0 | 0 | 0 | 112.1 | R21 P28 M29 W91 C95 E98 | R21-F25 HydrophobicContact CB-CD2 4.24Å; R21-F25 HydrophobicContact CG-CD2 4.28Å; R21-F25 HydrophobicContact CG-CE2 4.45Å; R21-F25 WeakPolarHBondContact O-CB 3.49Å; R21-F25 PolarHBondContact O-N 3.36Å; R21-F25 VanDerWaalsContact O-N 3.09Å; F25-P28 WeakPolarHBondContact O-CD 3.44Å; F25-M29 WeakPolarHBondContact O-CB 3.45Å; F25-M29 PolarHBondContact O-N 3.28Å; F25-W91 HydrophobicContact CB-CH2 3.73Å; F25-W91 HydrophobicContact CB-CZ2 4.24Å; F25-W91 HydrophobicContact CB-CZ3 4.23Å; F25-W91 HydrophobicContact CD2-CH2 4.41Å; F25-W91 HydrophobicContact CD2-CZ2 4.42Å; F25-W91 HydrophobicContact CG-CH2 4.42Å; F25-C95 HydrophobicContact CD1-CB 4.27Å; F25-E98 HydrophobicContact CD2-CB 4.25Å; F25-E98 HydrophobicContact CD2-CG 4Å; F25-E98 HydrophobicContact CE1-CB 4.45Å; F25-E98 HydrophobicContact CE2-CB 3.82Å; F25-E98 HydrophobicContact CE2-CG 3.72Å; F25-E98 HydrophobicContact CZ-CB 3.93Å; F25-E98 HydrophobicContact CZ-CG 4.34Å |
| 26 | W | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -65.7 | -52.3 | -170.4 | -177.2 | -102.2 | 0 | 0 | 0 | 113.5 | R21 Y22 M29 Q30 V38 P40 V44 W48 W91 | R21-W26 PolarHBondContact O-N 3.3Å; R21-W26 VanDerWaalsContact O-N 3.11Å; Y22-W26 HydrophobicContact CD2-CB 4.41Å; Y22-W26 AromaticContact CD2-CD1 3.94Å; Y22-W26 PolarHBondContact O-N 2.97Å; W26-M29 HydrophobicContact CD2-CE 4.46Å; W26-M29 HydrophobicContact CE3-CE 3.54Å; W26-M29 HydrophobicContact CH2-CE 4.07Å; W26-M29 HydrophobicContact CZ3-CE 3.32Å; W26-M29 PolarHBondContact O-N 3.12Å; W26-Q30 HydrophobicContact CD2-CG 4.27Å; W26-Q30 HydrophobicContact CH2-CG 4.27Å; W26-Q30 HydrophobicContact CZ2-CG 3.69Å; W26-Q30 PolarHBondContact O-N 2.96Å; W26-V38 HydrophobicContact CH2-CB 4.39Å; W26-V38 HydrophobicContact CH2-CG1 3.88Å; W26-V38 HydrophobicContact CZ3-CG1 3.96Å; W26-P40 HydrophobicContact CD2-CB 3.88Å; W26-P40 HydrophobicContact CE3-CB 3.81Å; W26-P40 HydrophobicContact CH2-CB 3.59Å; W26-P40 HydrophobicContact CH2-CG 4Å; W26-P40 HydrophobicContact CZ2-CB 3.68Å; W26-P40 HydrophobicContact CZ2-CG 3.89Å; W26-P40 HydrophobicContact CZ3-CB 3.65Å; W26-V44 HydrophobicContact CB-CG1 3.55Å; W26-V44 HydrophobicContact CD2-CG1 4.05Å; W26-V44 HydrophobicContact CG-CG1 3.57Å; W26-W48 AromaticContact CD1-CE3 3.98Å; W26-W48 AromaticContact CE2-CE3 3.76Å; W26-W48 AromaticContact CE2-CZ3 3.5Å; W26-W48 VanDerWaalsContact CE2-CZ3 3.5Å; W26-W48 HydrophobicContact CZ2-CE3 4.07Å; W26-W48 HydrophobicContact CZ2-CH2 4.06Å; W26-W48 AromaticContact CZ2-CZ3 3.4Å; W26-W48 HydrophobicContact CZ2-CZ3 3.4Å; W26-W48 AromaticContact NE1-CD2 3.6Å; W26-W48 AromaticContact NE1-CE3 3.09Å; W26-W48 AromaticContact NE1-CH2 3.61Å; W26-W48 AromaticContact NE1-CZ3 3.11Å; W26-W91 HydrophobicContact CB-CZ3 4.32Å; W26-W91 HydrophobicContact CE3-CE3 4.07Å; W26-W91 AromaticContact CE3-CZ3 3.93Å; W26-W91 HydrophobicContact CE3-CZ3 3.93Å |
| 27 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 179.4 | -74.4 | -179.4 | 0 | 0 | 0 | 112 | Y22 M29 Q30 A31 L65 V66 I70 | Y22-L27 HydrophobicContact CD2-CG 4.17Å; Y22-L27 HydrophobicContact CE1-CD1 3.86Å; Y22-L27 HydrophobicContact CE1-CG 4.29Å; Y22-L27 HydrophobicContact CE2-CD1 4.12Å; Y22-L27 HydrophobicContact CE2-CD2 3.68Å; Y22-L27 HydrophobicContact CE2-CG 3.64Å; Y22-L27 PolarHBondContact O-N 3.14Å; L27-M29 VanDerWaalsContact C-N 3.35Å; L27-M29 PolarHBondContact O-N 3.24Å; L27-Q30 PolarHBondContact O-N 2.85Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 2.88Å; L27-L65 HydrophobicContact CD1-CD1 3.94Å; L27-V66 HydrophobicContact CB-CG1 3.97Å; L27-I70 HydrophobicContact CD2-CB 4.32Å; L27-I70 HydrophobicContact CD2-CG1 3.84Å |
| 28 | P | 96.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 34 Ų | 34 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 175.5 | -27.5 | 36.5 | 0 | 0 | 0 | 113.8 | E23 F25 A31 A32 V66 | E23-P28 WeakPolarHBondContact O-CD 3.13Å; F25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-A31 PolarHBondContact O-N 3.28Å; P28-A32 WeakPolarHBondContact O-CB 3.39Å; P28-A32 PolarHBondContact O-N 2.83Å; P28-V66 HydrophobicContact CG-CG1 4.31Å |
| 29 | M | 96.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 179.4 | -174.6 | -174.7 | 79.2 | 0 | 0 | 111.4 | F25 W26 L27 A31 A32 H33 V38 Y94 | F25-M29 WeakPolarHBondContact O-CB 3.45Å; F25-M29 PolarHBondContact O-N 3.28Å; W26-M29 HydrophobicContact CD2-CE 4.46Å; W26-M29 HydrophobicContact CE3-CE 3.54Å; W26-M29 HydrophobicContact CH2-CE 4.07Å; W26-M29 HydrophobicContact CZ3-CE 3.32Å; W26-M29 PolarHBondContact O-N 3.12Å; L27-M29 VanDerWaalsContact C-N 3.35Å; L27-M29 PolarHBondContact O-N 3.24Å; M29-A31 VanDerWaalsContact C-N 3.27Å; M29-A31 PolarHBondContact O-N 3.41Å; M29-A32 PolarHBondContact O-N 3.2Å; M29-H33 PolarHBondContact O-N 2.8Å; M29-V38 HydrophobicContact CE-CG1 3.99Å; M29-Y94 HydrophobicContact CB-CD1 3.63Å; M29-Y94 HydrophobicContact CB-CD2 4.22Å; M29-Y94 HydrophobicContact CB-CE1 3.66Å; M29-Y94 HydrophobicContact CB-CE2 4.24Å; M29-Y94 HydrophobicContact CB-CG 3.93Å; M29-Y94 HydrophobicContact CG-CD1 3.82Å; M29-Y94 HydrophobicContact CG-CD2 3.84Å; M29-Y94 HydrophobicContact CG-CE1 4.27Å; M29-Y94 HydrophobicContact CG-CE2 4.28Å; M29-Y94 HydrophobicContact CG-CG 3.59Å; M29-Y94 HydrophobicContact SD-CD1 4.36Å; M29-Y94 HydrophobicContact SD-CG 4.15Å |
| 30 | Q | 96.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.8 | -26.9 | 178 | -75.9 | -68.2 | -17.5 | 0 | 0 | 112.4 | W26 L27 P34 D35 I70 | W26-Q30 HydrophobicContact CD2-CG 4.27Å; W26-Q30 HydrophobicContact CH2-CG 4.27Å; W26-Q30 HydrophobicContact CZ2-CG 3.69Å; W26-Q30 PolarHBondContact O-N 2.96Å; L27-Q30 PolarHBondContact O-N 2.85Å; Q30-P34 VanDerWaalsContact O-CA 3.25Å; Q30-P34 WeakPolarHBondContact O-CA 3.42Å; Q30-P34 WeakPolarHBondContact O-CD 3.29Å; Q30-P34 VanDerWaalsContact O-CG 3.29Å; Q30-P34 WeakPolarHBondContact O-CG 3.43Å; Q30-D35 PolarHBondContact NE2-O 3.34Å; Q30-D35 VanDerWaalsContact NE2-O 3.13Å; Q30-D35 PolarHBondContact OE1-O 2.79Å; Q30-I70 HydrophobicContact CB-CD1 4.26Å; Q30-I70 HydrophobicContact CB-CG1 4.44Å; Q30-I70 HydrophobicContact CB-CG2 3.52Å; Q30-I70 HydrophobicContact CG-CG2 4.12Å |
| 31 | A | 96.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.7 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L27 P28 M29 V66 K68 I70 | L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 2.88Å; P28-A31 PolarHBondContact O-N 3.28Å; M29-A31 VanDerWaalsContact C-N 3.27Å; M29-A31 PolarHBondContact O-N 3.41Å; A31-V66 HydrophobicContact CB-CB 3.75Å; A31-V66 HydrophobicContact CB-CG1 4.25Å; A31-V66 HydrophobicContact CB-CG2 4.11Å; A31-K68 VanDerWaalsContact CA-CE 3.49Å; A31-K68 WeakPolarHBondContact O-CE 3.45Å; A31-K68 PolarHBondContact O-NZ 2.81Å; A31-I70 HydrophobicContact CB-CD1 3.93Å |
| 32 | A | 95.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 37.8 Ų | 37.8 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.9 | -42.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P28 M29 Y94 | P28-A32 WeakPolarHBondContact O-CB 3.39Å; P28-A32 PolarHBondContact O-N 2.83Å; M29-A32 PolarHBondContact O-N 3.2Å; A32-Y94 HydrophobicContact CB-CE2 4.37Å |
| 33 | H | 94.3 | Very high | 95.3 | Very high | 136 Ų | 136 | 37.9 Ų | 37.9 | 63% | 0.63 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -134.3 | 77.9 | -176.8 | -57.8 | -61.2 | 0 | 0 | 0 | 110.5 | M29 D35 | M29-H33 PolarHBondContact O-N 2.8Å; H33-D35 PolarHBondContact O-N 2.81Å; H33-D35 VanDerWaalsContact O-N 3.16Å |
| 34 | P | 94.7 | Very high | 95.3 | Very high | 92 Ų | 92 | 37.4 Ų | 37.4 | 60% | 0.597 | 21% | 0.212 | S | C | * | . | trans | -60.1 | 119.7 | 179.8 | -20.3 | 30.2 | 0 | 0 | 0 | 111.5 | Q30 | Q30-P34 VanDerWaalsContact O-CA 3.25Å; Q30-P34 WeakPolarHBondContact O-CA 3.42Å; Q30-P34 WeakPolarHBondContact O-CD 3.29Å; Q30-P34 VanDerWaalsContact O-CG 3.29Å; Q30-P34 WeakPolarHBondContact O-CG 3.43Å | ||
| 35 | D | 94.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | trans | -146.9 | 109 | 171.9 | -174 | 0.9 | 0 | 0 | 0 | 110.7 | Q30 H33 N37 V38 | Q30-D35 PolarHBondContact NE2-O 3.34Å; Q30-D35 VanDerWaalsContact NE2-O 3.13Å; Q30-D35 PolarHBondContact OE1-O 2.79Å; H33-D35 PolarHBondContact O-N 2.81Å; H33-D35 VanDerWaalsContact O-N 3.16Å; D35-N37 PolarHBondContact O-N 2.85Å; D35-N37 VanDerWaalsContact O-N 3.17Å; D35-N37 VanDerWaalsContact OD1-CB 3.25Å; D35-N37 WeakPolarHBondContact OD1-CB 3.14Å; D35-N37 PolarHBondContact OD1-N 3.15Å; D35-N37 PolarHBondContact OD1-ND2 3.4Å; D35-N37 VanDerWaalsContact OD1-ND2 3.09Å; D35-V38 HydrophobicContact CB-CG2 3.82Å; D35-V38 PolarHBondContact O-N 2.8Å | ||
| 36 | L | 91.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.1 | 177.6 | -64.2 | 178.4 | 0 | 0 | 0 | 113.5 | D71 K73 | L36-D71 HydrophobicContact CD2-CB 4.03Å; L36-D71 WeakPolarHBondContact CD2-O 3.48Å; L36-K73 HydrophobicContact CB-CB 4.24Å; L36-K73 HydrophobicContact CD2-CB 4.48Å |
| 37 | N | 93.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -12.3 | 177.3 | -61 | -75.8 | 0 | 0 | 0 | 112.9 | D35 I39 R83 | D35-N37 PolarHBondContact O-N 2.85Å; D35-N37 VanDerWaalsContact O-N 3.17Å; D35-N37 VanDerWaalsContact OD1-CB 3.25Å; D35-N37 WeakPolarHBondContact OD1-CB 3.14Å; D35-N37 PolarHBondContact OD1-N 3.15Å; D35-N37 PolarHBondContact OD1-ND2 3.4Å; D35-N37 VanDerWaalsContact OD1-ND2 3.09Å; N37-I39 PolarHBondContact O-N 2.88Å; N37-R83 WeakPolarHBondContact O-CD 3.43Å; N37-R83 PolarHBondContact OD1-NE 2.82Å; N37-R83 PolarHBondContact OD1-NH2 2.84Å; N37-R83 VanDerWaalsContact OD1-NH2 3.12Å |
| 38 | V | 93.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 125.9 | 174.9 | 177 | 0 | 0 | 0 | 0 | 108.8 | W26 M29 D35 A90 | W26-V38 HydrophobicContact CH2-CB 4.39Å; W26-V38 HydrophobicContact CH2-CG1 3.88Å; W26-V38 HydrophobicContact CZ3-CG1 3.96Å; M29-V38 HydrophobicContact CE-CG1 3.99Å; D35-V38 HydrophobicContact CB-CG2 3.82Å; D35-V38 PolarHBondContact O-N 2.8Å; V38-A90 HydrophobicContact CG1-CB 4.31Å; V38-A90 HydrophobicContact CG2-CB 4.18Å |
| 39 | I | 95.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 125.7 | 179.6 | -54.2 | 166.9 | 0 | 0 | 0 | 108.3 | N37 L75 I80 R83 S87 Y100 | N37-I39 PolarHBondContact O-N 2.88Å; I39-L75 HydrophobicContact CG1-CD1 3.89Å; I39-I80 HydrophobicContact CD1-CB 4.17Å; I39-I80 HydrophobicContact CD1-CG1 4.27Å; I39-I80 HydrophobicContact CD1-CG2 4.05Å; I39-I80 WeakPolarHBondContact CD1-O 3.44Å; I39-R83 HydrophobicContact CD1-CB 3.96Å; I39-R83 HydrophobicContact CG1-CB 4.5Å; I39-S87 PolarHBondContact N-OG 3.29Å; I39-Y100 WeakPolarHBondContact O-CE2 3.25Å; I39-Y100 PolarHBondContact O-OH 2.86Å |
| 40 | P | 95.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 152.7 | 171.9 | 22.4 | -29.8 | 0 | 0 | 0 | 112.5 | W26 V44 H45 W48 Y100 | W26-P40 HydrophobicContact CD2-CB 3.88Å; W26-P40 HydrophobicContact CE3-CB 3.81Å; W26-P40 HydrophobicContact CH2-CB 3.59Å; W26-P40 HydrophobicContact CH2-CG 4Å; W26-P40 HydrophobicContact CZ2-CB 3.68Å; W26-P40 HydrophobicContact CZ2-CG 3.89Å; W26-P40 HydrophobicContact CZ3-CB 3.65Å; P40-V44 HydrophobicContact CB-CB 4.45Å; P40-V44 HydrophobicContact CB-CG1 4.08Å; P40-H45 HydrophobicContact CB-CB 4.05Å; P40-H45 HydrophobicContact CG-CB 3.54Å; P40-H45 VanDerWaalsContact CG-CG 3.48Å; P40-W48 HydrophobicContact CG-CE3 4.14Å; P40-W48 HydrophobicContact CG-CZ3 4.21Å; P40-Y100 PolarHBondContact O-OH 2.63Å |
| 41 | P | 95.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -47.7 | 144.2 | 161.1 | -28.5 | 36.5 | 0 | 0 | 0 | 111.7 | D43 V44 H45 W91 Y100 | P41-D43 VanDerWaalsContact C-N 3.33Å; P41-D43 WeakPolarHBondContact CB-OD1 3.48Å; P41-D43 PolarHBondContact O-N 2.71Å; P41-V44 HydrophobicContact CB-CB 4.18Å; P41-V44 HydrophobicContact CB-CG2 4.12Å; P41-V44 HydrophobicContact CG-CG2 4.35Å; P41-V44 WeakPolarHBondContact O-CB 3.38Å; P41-V44 PolarHBondContact O-N 2.86Å; P41-V44 VanDerWaalsContact O-N 3.13Å; P41-H45 PolarHBondContact O-N 3Å; P41-W91 HydrophobicContact CG-CD2 3.93Å; P41-W91 HydrophobicContact CG-CE3 3.71Å; P41-W91 HydrophobicContact CG-CH2 3.92Å; P41-W91 HydrophobicContact CG-CZ2 4.12Å; P41-W91 HydrophobicContact CG-CZ3 3.71Å; P41-Y100 WeakPolarHBondContact CB-O 3.46Å; P41-Y100 HydrophobicContact CG-CD2 3.77Å; P41-Y100 HydrophobicContact CG-CE2 3.86Å; P41-Y100 HydrophobicContact CG-CG 4.2Å |
| 42 | L | 95.3 | Very high | 95.7 | Very high | 95 Ų | 95 | 35.4 Ų | 35.4 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.3 | -40.3 | -169.1 | 179.4 | 62.5 | 0 | 0 | 0 | 113.9 | A6 L9 H45 W46 F102 | A6-L42 HydrophobicContact CB-CD2 4.38Å; L9-L42 HydrophobicContact CD1-CD1 4.49Å; L9-L42 HydrophobicContact CD1-CD2 4.1Å; L9-L42 HydrophobicContact CD1-CG 3.91Å; L42-H45 PolarHBondContact O-N 3.49Å; L42-W46 WeakPolarHBondContact O-CB 3.42Å; L42-W46 PolarHBondContact O-N 3.17Å; L42-F102 HydrophobicContact CB-CE1 4.46Å |
| 43 | D | 95.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.8 | 64.5 | -45.7 | 0 | 0 | 0 | 112.2 | L9 A18 R21 P41 W46 V47 F102 | L9-D43 HydrophobicContact CD2-CB 3.81Å; A18-D43 HydrophobicContact CB-CB 3.87Å; R21-D43 IonicContact CZ-OD1 2.82Å; R21-D43 IonicContact CZ-OD2 3.96Å; R21-D43 IonicContact NH1-OD1 3.68Å; R21-D43 PolarHBondContact NH1-OD1 3.16Å; R21-D43 IonicContact NH1-OD2 2.84Å; R21-D43 PolarHBondContact NH1-OD2 3.47Å; P41-D43 VanDerWaalsContact C-N 3.33Å; P41-D43 WeakPolarHBondContact CB-OD1 3.48Å; P41-D43 PolarHBondContact O-N 2.71Å; D43-W46 PolarHBondContact O-N 3.19Å; D43-V47 PolarHBondContact O-N 3.48Å; D43-F102 HydrophobicContact CB-CB 4.34Å; D43-F102 HydrophobicContact CB-CD1 3.94Å; D43-F102 HydrophobicContact CB-CD2 4.15Å; D43-F102 HydrophobicContact CB-CE1 4.33Å; D43-F102 HydrophobicContact CB-CG 3.87Å; D43-F102 VanDerWaalsContact CG-CB 3.41Å; D43-F102 VanDerWaalsContact CG-CG 3.47Å; D43-F102 WeakPolarHBondContact OD1-CB 3.21Å; D43-F102 WeakPolarHBondContact OD1-CD1 3.2Å; D43-F102 WeakPolarHBondContact OD2-CB 3.39Å |
| 44 | V | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | R21 Y22 W26 P40 P41 W46 V47 W48 W91 | R21-V44 HydrophobicContact CB-CG2 3.59Å; Y22-V44 HydrophobicContact CD2-CG1 4.25Å; W26-V44 HydrophobicContact CB-CG1 3.55Å; W26-V44 HydrophobicContact CD2-CG1 4.05Å; W26-V44 HydrophobicContact CG-CG1 3.57Å; P40-V44 HydrophobicContact CB-CB 4.45Å; P40-V44 HydrophobicContact CB-CG1 4.08Å; P41-V44 HydrophobicContact CB-CB 4.18Å; P41-V44 HydrophobicContact CB-CG2 4.12Å; P41-V44 HydrophobicContact CG-CG2 4.35Å; P41-V44 WeakPolarHBondContact O-CB 3.38Å; P41-V44 PolarHBondContact O-N 2.86Å; P41-V44 VanDerWaalsContact O-N 3.13Å; V44-W46 PolarHBondContact O-N 3.3Å; V44-V47 VanDerWaalsContact O-CG2 3.23Å; V44-V47 WeakPolarHBondContact O-CG2 3.35Å; V44-V47 PolarHBondContact O-N 3.42Å; V44-W48 VanDerWaalsContact O-CB 3.29Å; V44-W48 WeakPolarHBondContact O-CB 3.39Å; V44-W48 PolarHBondContact O-N 2.9Å; V44-W91 HydrophobicContact CG2-CH2 4.33Å |
| 45 | H | 96.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 22.5 Ų | 22.5 | 24% | 0.241 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 178.2 | -162 | -176.7 | 0 | 0 | 0 | 110.8 | P40 P41 L42 W48 H49 H72 | P40-H45 HydrophobicContact CB-CB 4.05Å; P40-H45 HydrophobicContact CG-CB 3.54Å; P40-H45 VanDerWaalsContact CG-CG 3.48Å; P41-H45 PolarHBondContact O-N 3Å; L42-H45 PolarHBondContact O-N 3.49Å; H45-W48 PolarHBondContact O-N 3.4Å; H45-H49 WeakPolarHBondContact O-CB 3.48Å; H45-H49 PolarHBondContact O-N 3.33Å; H45-H72 AromaticContact CE1-NE2 3.98Å; H45-H72 AromaticContact NE2-CE1 3.91Å; H45-H72 AromaticContact NE2-NE2 3.16Å; H45-H72 PolarHBondContact NE2-NE2 2.96Å; H45-H72 VanDerWaalsContact NE2-NE2 3.16Å |
| 46 | W | 96.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 22 Ų | 22 | 5% | 0.053 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.3 | -51.2 | -179.8 | 178.2 | -127.6 | 0 | 0 | 0 | 111.9 | I2 L9 Y10 L42 D43 V44 W48 H49 T50 V124 Q127 N131 | I2-W46 HydrophobicContact CD1-CD2 3.61Å; I2-W46 HydrophobicContact CD1-CE3 3.18Å; I2-W46 HydrophobicContact CD1-CG 4.39Å; I2-W46 HydrophobicContact CD1-CH2 3.92Å; I2-W46 HydrophobicContact CD1-CZ2 4.27Å; I2-W46 HydrophobicContact CD1-CZ3 3.36Å; L9-W46 HydrophobicContact CB-CG 4.42Å; L9-W46 HydrophobicContact CD1-CB 4.38Å; L9-W46 HydrophobicContact CD1-CG 4.49Å; L9-W46 PolarHBondContact O-NE1 3.13Å; Y10-W46 HydrophobicContact CD1-CZ2 4.47Å; Y10-W46 AromaticContact CE1-CZ2 3.65Å; Y10-W46 HydrophobicContact CE1-CZ2 3.65Å; L42-W46 WeakPolarHBondContact O-CB 3.42Å; L42-W46 PolarHBondContact O-N 3.17Å; D43-W46 PolarHBondContact O-N 3.19Å; V44-W46 PolarHBondContact O-N 3.3Å; W46-W48 VanDerWaalsContact C-N 3.32Å; W46-W48 PolarHBondContact O-N 3.13Å; W46-H49 AromaticContact CZ3-CD2 3.6Å; W46-H49 WeakPolarHBondContact O-CB 3.49Å; W46-H49 PolarHBondContact O-N 2.91Å; W46-T50 HydrophobicContact CD2-CG2 4.14Å; W46-T50 HydrophobicContact CE3-CG2 4.12Å; W46-T50 HydrophobicContact CH2-CG2 3.79Å; W46-T50 HydrophobicContact CZ2-CG2 3.79Å; W46-T50 HydrophobicContact CZ3-CG2 3.96Å; W46-T50 WeakPolarHBondContact O-CG2 3.42Å; W46-T50 PolarHBondContact O-N 2.95Å; W46-T50 PolarHBondContact O-OG1 3.49Å; W46-V124 HydrophobicContact CZ2-CG1 4.3Å; W46-V124 VanDerWaalsContact NE1-CG1 3.32Å; W46-Q127 HydrophobicContact CH2-CB 3.75Å; W46-Q127 HydrophobicContact CZ2-CB 4.13Å; W46-N131 WeakPolarHBondContact CH2-ND2 3.29Å |
| 47 | V | 97.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64 | -39 | 177.6 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | V15 A18 L19 Y22 D43 V44 T50 H51 I120 V124 | V15-V47 HydrophobicContact CG1-CG1 4.49Å; A18-V47 HydrophobicContact CB-CG1 3.68Å; A18-V47 HydrophobicContact CB-CG2 4.19Å; L19-V47 HydrophobicContact CD2-CB 4.12Å; L19-V47 HydrophobicContact CD2-CG1 4.22Å; L19-V47 HydrophobicContact CG-CG1 4.33Å; Y22-V47 HydrophobicContact CD1-CG2 4.26Å; Y22-V47 HydrophobicContact CD2-CG2 4.44Å; Y22-V47 HydrophobicContact CG-CG2 3.85Å; D43-V47 PolarHBondContact O-N 3.48Å; V44-V47 VanDerWaalsContact O-CG2 3.23Å; V44-V47 WeakPolarHBondContact O-CG2 3.35Å; V44-V47 PolarHBondContact O-N 3.42Å; V47-T50 PolarHBondContact O-N 3.29Å; V47-T50 PolarHBondContact O-OG1 3.2Å; V47-H51 WeakPolarHBondContact O-CB 3.3Å; V47-H51 PolarHBondContact O-N 2.72Å; V47-I120 HydrophobicContact CB-CG2 4.08Å; V47-V124 HydrophobicContact CG1-CG2 4.36Å |
| 48 | W | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 3% | 0.027 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.4 | -176.3 | 21.3 | 0 | 0 | 0 | 112 | Y22 W26 P40 V44 H45 W46 T50 H51 M52 Y58 I70 H72 | Y22-W48 HydrophobicContact CD2-CB 3.85Å; Y22-W48 HydrophobicContact CD2-CG 4.28Å; Y22-W48 HydrophobicContact CE2-CB 3.55Å; Y22-W48 AromaticContact CE2-CD1 3.58Å; Y22-W48 HydrophobicContact CE2-CD2 4.43Å; Y22-W48 AromaticContact CE2-CG 3.57Å; Y22-W48 HydrophobicContact CE2-CG 3.57Å; Y22-W48 AromaticContact CZ-CD1 3.94Å; W26-W48 AromaticContact CD1-CE3 3.98Å; W26-W48 AromaticContact CE2-CE3 3.76Å; W26-W48 AromaticContact CE2-CZ3 3.5Å; W26-W48 VanDerWaalsContact CE2-CZ3 3.5Å; W26-W48 HydrophobicContact CZ2-CE3 4.07Å; W26-W48 HydrophobicContact CZ2-CH2 4.06Å; W26-W48 AromaticContact CZ2-CZ3 3.4Å; W26-W48 HydrophobicContact CZ2-CZ3 3.4Å; W26-W48 AromaticContact NE1-CD2 3.6Å; W26-W48 AromaticContact NE1-CE3 3.09Å; W26-W48 AromaticContact NE1-CH2 3.61Å; W26-W48 AromaticContact NE1-CZ3 3.11Å; P40-W48 HydrophobicContact CG-CE3 4.14Å; P40-W48 HydrophobicContact CG-CZ3 4.21Å; V44-W48 VanDerWaalsContact O-CB 3.29Å; V44-W48 WeakPolarHBondContact O-CB 3.39Å; V44-W48 PolarHBondContact O-N 2.9Å; H45-W48 PolarHBondContact O-N 3.4Å; W46-W48 VanDerWaalsContact C-N 3.32Å; W46-W48 PolarHBondContact O-N 3.13Å; W48-T50 VanDerWaalsContact C-N 3.32Å; W48-T50 PolarHBondContact O-N 3.22Å; W48-H51 PolarHBondContact O-N 3.07Å; W48-M52 HydrophobicContact CD2-CE 4.26Å; W48-M52 HydrophobicContact CG-CE 4.25Å; W48-M52 HydrophobicContact CZ2-SD 4.38Å; W48-M52 WeakPolarHBondContact O-CG 3.44Å; W48-M52 PolarHBondContact O-N 2.98Å; W48-Y58 AromaticContact CD1-CE2 3.65Å; W48-Y58 AromaticContact NE1-CE2 3.46Å; W48-Y58 AromaticContact NE1-CZ 3.36Å; W48-Y58 PolarHBondContact NE1-OH 3.1Å; W48-I70 HydrophobicContact CH2-CG2 4.24Å; W48-I70 HydrophobicContact CZ2-CB 4.49Å; W48-I70 HydrophobicContact CZ2-CG2 3.8Å; W48-H72 HydrophobicContact CH2-CB 4.01Å; W48-H72 AromaticContact CH2-CD2 3.64Å; W48-H72 HydrophobicContact CZ2-CB 3.81Å; W48-H72 AromaticContact CZ3-CD2 3.57Å |
| 49 | H | 97 | Very high | 96.9 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 20% | 0.199 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 174.5 | 174.3 | 85.2 | 0 | 0 | 0 | 111 | H45 W46 H51 M52 L53 | H45-H49 WeakPolarHBondContact O-CB 3.48Å; H45-H49 PolarHBondContact O-N 3.33Å; W46-H49 AromaticContact CZ3-CD2 3.6Å; W46-H49 WeakPolarHBondContact O-CB 3.49Å; W46-H49 PolarHBondContact O-N 2.91Å; H49-H51 VanDerWaalsContact C-N 3.3Å; H49-H51 PolarHBondContact O-N 3.28Å; H49-M52 PolarHBondContact O-N 2.93Å; H49-L53 WeakPolarHBondContact O-CG 3.45Å; H49-L53 PolarHBondContact O-N 2.88Å |
| 50 | T | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -33.3 | -179.9 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | W46 V47 W48 L53 I120 V124 Q127 | W46-T50 HydrophobicContact CD2-CG2 4.14Å; W46-T50 HydrophobicContact CE3-CG2 4.12Å; W46-T50 HydrophobicContact CH2-CG2 3.79Å; W46-T50 HydrophobicContact CZ2-CG2 3.79Å; W46-T50 HydrophobicContact CZ3-CG2 3.96Å; W46-T50 WeakPolarHBondContact O-CG2 3.42Å; W46-T50 PolarHBondContact O-N 2.95Å; W46-T50 PolarHBondContact O-OG1 3.49Å; V47-T50 PolarHBondContact O-N 3.29Å; V47-T50 PolarHBondContact O-OG1 3.2Å; W48-T50 VanDerWaalsContact C-N 3.32Å; W48-T50 PolarHBondContact O-N 3.22Å; T50-L53 PolarHBondContact O-N 3.11Å; T50-I120 WeakPolarHBondContact OG1-CG2 3.4Å; T50-V124 HydrophobicContact CG2-CG2 3.89Å; T50-Q127 HydrophobicContact CG2-CB 4.26Å; T50-Q127 HydrophobicContact CG2-CG 3.98Å |
| 51 | H | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.8 | -42 | 177.7 | -169.7 | -171 | 0 | 0 | 0 | 111.8 | Y22 V47 W48 H49 L53 S54 Y58 D61 Y118 I120 | Y22-H51 AromaticContact CE1-ND1 3.67Å; Y22-H51 AromaticContact CZ-ND1 3.75Å; Y22-H51 PolarHBondContact OH-ND1 2.86Å; V47-H51 WeakPolarHBondContact O-CB 3.3Å; V47-H51 PolarHBondContact O-N 2.72Å; W48-H51 PolarHBondContact O-N 3.07Å; H49-H51 VanDerWaalsContact C-N 3.3Å; H49-H51 PolarHBondContact O-N 3.28Å; H51-L53 PolarHBondContact O-N 3Å; H51-S54 PolarHBondContact O-N 3.39Å; H51-Y58 HydrophobicContact CB-CD2 4.19Å; H51-Y58 AromaticContact CD2-CD2 3.94Å; H51-Y58 AromaticContact CE1-CD2 3.82Å; H51-Y58 AromaticContact CG-CD2 3.64Å; H51-Y58 AromaticContact ND1-CD2 3.56Å; H51-Y58 WeakPolarHBondContact NE2-CA 3.5Å; H51-D61 IonicContact CE1-OD2 2.8Å; H51-D61 IonicContact NE2-OD2 3.9Å; H51-D61 PolarHBondContact NE2-OD2 2.66Å; H51-Y118 AromaticContact CD2-CD1 3.87Å; H51-I120 HydrophobicContact CB-CD1 3.99Å; H51-I120 HydrophobicContact CB-CG1 4.1Å |
| 52 | M | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -24.9 | 177.5 | -70.2 | -174.7 | -68.6 | 0 | 0 | 113.5 | W48 H49 S54 Y58 H72 V182 P184 | W48-M52 HydrophobicContact CD2-CE 4.26Å; W48-M52 HydrophobicContact CG-CE 4.25Å; W48-M52 HydrophobicContact CZ2-SD 4.38Å; W48-M52 WeakPolarHBondContact O-CG 3.44Å; W48-M52 PolarHBondContact O-N 2.98Å; H49-M52 PolarHBondContact O-N 2.93Å; M52-S54 PolarHBondContact O-N 3.45Å; M52-S54 VanDerWaalsContact O-N 3.15Å; M52-Y58 HydrophobicContact CG-CD1 4.04Å; M52-Y58 HydrophobicContact CG-CD2 3.96Å; M52-Y58 HydrophobicContact CG-CE1 3.89Å; M52-Y58 HydrophobicContact CG-CE2 3.82Å; M52-Y58 HydrophobicContact CG-CG 4.09Å; M52-H72 HydrophobicContact CE-CB 3.86Å; M52-H72 HydrophobicContact SD-CB 3.39Å; M52-H72 WeakPolarHBondContact SD-CB 3.16Å; M52-V182 HydrophobicContact CB-CG1 4.4Å; M52-V182 HydrophobicContact CE-CB 4.1Å; M52-V182 HydrophobicContact CE-CG1 4.25Å; M52-P184 HydrophobicContact CG-CG 4.19Å; M52-P184 HydrophobicContact SD-CG 3.72Å |
| 53 | L | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 1.8 | 173.5 | -60.2 | 177 | 0 | 0 | 0 | 113.1 | H49 T50 H51 Q127 H178 Q181 V182 H201 | H49-L53 WeakPolarHBondContact O-CG 3.45Å; H49-L53 PolarHBondContact O-N 2.88Å; T50-L53 PolarHBondContact O-N 3.11Å; H51-L53 PolarHBondContact O-N 3Å; L53-Q127 VanDerWaalsContact CD1-CD 3.41Å; L53-Q127 HydrophobicContact CD1-CG 4.07Å; L53-H178 HydrophobicContact CD2-CB 3.74Å; L53-Q181 HydrophobicContact CD2-CB 4.19Å; L53-Q181 VanDerWaalsContact CD2-OE1 3.31Å; L53-V182 HydrophobicContact CD2-CG1 3.92Å; L53-H201 PolarHBondContact O-ND1 3.34Å |
| 54 | S | 97.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -120.5 | 76.3 | 163.3 | -154 | 0 | 0 | 0 | 0 | 110 | H51 M52 I56 H57 Y58 | H51-S54 PolarHBondContact O-N 3.39Å; M52-S54 PolarHBondContact O-N 3.45Å; M52-S54 VanDerWaalsContact O-N 3.15Å; S54-I56 VanDerWaalsContact C-N 3.3Å; S54-I56 PolarHBondContact O-N 2.78Å; S54-I56 VanDerWaalsContact O-N 3.11Å; S54-H57 PolarHBondContact O-N 3.12Å; S54-H57 VanDerWaalsContact O-N 3.11Å; S54-H57 PolarHBondContact OG-ND1 2.92Å; S54-Y58 WeakPolarHBondContact O-CB 3.47Å; S54-Y58 PolarHBondContact O-N 2.87Å |
| 55 | P | 97.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57 | -37.3 | -163 | -28.5 | 35.8 | 0 | 0 | 0 | 115 | Q59 Q181 Y187 L198 | P55-Q59 WeakPolarHBondContact O-CB 3.33Å; P55-Q59 PolarHBondContact O-N 2.86Å; P55-Q181 HydrophobicContact CG-CB 4.33Å; P55-Q181 HydrophobicContact CG-CG 3.98Å; P55-Y187 HydrophobicContact CB-CD1 4.1Å; P55-Y187 HydrophobicContact CB-CE1 3.89Å; P55-Y187 HydrophobicContact CG-CD1 4.06Å; P55-Y187 HydrophobicContact CG-CE1 3.62Å; P55-L198 HydrophobicContact CB-CD1 4.12Å; P55-L198 HydrophobicContact CB-CD2 3.93Å; P55-L198 HydrophobicContact CB-CG 4.21Å |
| 56 | I | 96.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 28% | 0.282 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67 | -52.2 | 178.6 | -64.8 | 177.3 | 0 | 0 | 0 | 110.4 | S54 Y58 Q59 E60 L198 K200 | S54-I56 VanDerWaalsContact C-N 3.3Å; S54-I56 PolarHBondContact O-N 2.78Å; S54-I56 VanDerWaalsContact O-N 3.11Å; I56-Y58 VanDerWaalsContact C-N 3.28Å; I56-Y58 PolarHBondContact O-N 2.8Å; I56-Q59 PolarHBondContact O-N 3.27Å; I56-E60 WeakPolarHBondContact O-CG 3.21Å; I56-E60 PolarHBondContact O-N 2.71Å; I56-L198 HydrophobicContact CG1-CD2 4Å; I56-L198 HydrophobicContact CG1-CG 4.35Å; I56-K200 HydrophobicContact CD1-CB 3.68Å; I56-K200 HydrophobicContact CD1-CD 4.37Å; I56-K200 HydrophobicContact CD1-CG 3.96Å |
| 57 | H | 97.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 32.6 Ų | 32.6 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.5 | -36.8 | 178.8 | -58.7 | 109.2 | 0 | 0 | 0 | 111.7 | S54 Q59 E60 D61 Y118 | S54-H57 PolarHBondContact O-N 3.12Å; S54-H57 VanDerWaalsContact O-N 3.11Å; S54-H57 PolarHBondContact OG-ND1 2.92Å; H57-Q59 VanDerWaalsContact C-N 3.32Å; H57-Q59 PolarHBondContact O-N 2.96Å; H57-E60 IonicContact CD2-OE2 3.2Å; H57-E60 PolarHBondContact O-N 2.88Å; H57-D61 VanDerWaalsContact O-CB 3.31Å; H57-D61 WeakPolarHBondContact O-CB 3.43Å; H57-D61 PolarHBondContact O-N 2.79Å; H57-Y118 HydrophobicContact CB-CD2 4.16Å; H57-Y118 HydrophobicContact CB-CG 3.99Å; H57-Y118 AromaticContact CE1-CD2 3.99Å; H57-Y118 AromaticContact CG-CD2 3.82Å; H57-Y118 AromaticContact ND1-CD2 3.58Å; H57-Y118 AromaticContact ND1-CE2 3.99Å |
| 58 | Y | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 174.5 | -177.9 | -111.1 | 0 | 0 | 0 | 112.1 | Y22 W48 H51 M52 S54 I56 C62 I69 I70 P184 | Y22-Y58 WeakPolarHBondContact OH-CE2 3.47Å; W48-Y58 AromaticContact CD1-CE2 3.65Å; W48-Y58 AromaticContact NE1-CE2 3.46Å; W48-Y58 AromaticContact NE1-CZ 3.36Å; W48-Y58 PolarHBondContact NE1-OH 3.1Å; H51-Y58 HydrophobicContact CB-CD2 4.19Å; H51-Y58 AromaticContact CD2-CD2 3.94Å; H51-Y58 AromaticContact CE1-CD2 3.82Å; H51-Y58 AromaticContact CG-CD2 3.64Å; H51-Y58 AromaticContact ND1-CD2 3.56Å; H51-Y58 WeakPolarHBondContact NE2-CA 3.5Å; M52-Y58 HydrophobicContact CG-CD1 4.04Å; M52-Y58 HydrophobicContact CG-CD2 3.96Å; M52-Y58 HydrophobicContact CG-CE1 3.89Å; M52-Y58 HydrophobicContact CG-CE2 3.82Å; M52-Y58 HydrophobicContact CG-CG 4.09Å; S54-Y58 WeakPolarHBondContact O-CB 3.47Å; S54-Y58 PolarHBondContact O-N 2.87Å; I56-Y58 VanDerWaalsContact C-N 3.28Å; I56-Y58 PolarHBondContact O-N 2.8Å; Y58-C62 WeakPolarHBondContact CE2-SG 3.22Å; Y58-C62 VanDerWaalsContact O-CB 3.28Å; Y58-C62 WeakPolarHBondContact O-CB 3.42Å; Y58-C62 PolarHBondContact O-N 2.78Å; Y58-C62 PolarHBondContact O-SG 3.02Å; Y58-I69 HydrophobicContact CE1-CG2 3.97Å; Y58-I70 PolarHBondContact OH-O 3.42Å; Y58-P184 HydrophobicContact CD1-CB 4.34Å; Y58-P184 HydrophobicContact CD1-CG 4.15Å; Y58-P184 HydrophobicContact CE1-CB 4.04Å; Y58-P184 HydrophobicContact CE1-CG 3.65Å |
| 59 | Q | 97.5 | Very high | 97.3 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 23% | 0.229 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -51.8 | 175.8 | 172.9 | 169.8 | -3.7 | 0 | 0 | 111.5 | P55 I56 H57 D61 C62 E63 I69 | P55-Q59 WeakPolarHBondContact O-CB 3.33Å; P55-Q59 PolarHBondContact O-N 2.86Å; I56-Q59 PolarHBondContact O-N 3.27Å; H57-Q59 VanDerWaalsContact C-N 3.32Å; H57-Q59 PolarHBondContact O-N 2.96Å; Q59-D61 PolarHBondContact O-N 2.94Å; Q59-C62 PolarHBondContact O-N 2.9Å; Q59-E63 HydrophobicContact CG-CG 4.42Å; Q59-E63 VanDerWaalsContact CG-OE1 3.25Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.42Å; Q59-E63 PolarHBondContact NE2-OE1 2.83Å; Q59-E63 WeakPolarHBondContact O-CB 3.25Å; Q59-E63 WeakPolarHBondContact O-CG 3.22Å; Q59-E63 PolarHBondContact O-N 2.78Å; Q59-I69 HydrophobicContact CB-CD1 4.09Å; Q59-I69 HydrophobicContact CB-CG1 4.27Å; Q59-I69 HydrophobicContact CG-CD1 3.66Å; Q59-I69 HydrophobicContact CG-CG1 3.91Å |
| 60 | E | 97.4 | Very high | 97.3 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.4 | -46.5 | -179.4 | -70.7 | 172.9 | 173.1 | 0 | 0 | 112.3 | I56 H57 K64 | I56-E60 WeakPolarHBondContact O-CG 3.21Å; I56-E60 PolarHBondContact O-N 2.71Å; H57-E60 IonicContact CD2-OE2 3.2Å; H57-E60 PolarHBondContact O-N 2.88Å; E60-K64 VanDerWaalsContact O-CB 3.23Å; E60-K64 WeakPolarHBondContact O-CB 3.28Å; E60-K64 PolarHBondContact O-N 3.46Å |
| 61 | D | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | -179.7 | -78.5 | -31 | 0 | 0 | 0 | 111.3 | H51 H57 Q59 K64 L65 C116 N117 Y118 | H51-D61 IonicContact CE1-OD2 2.8Å; H51-D61 IonicContact NE2-OD2 3.9Å; H51-D61 PolarHBondContact NE2-OD2 2.66Å; H57-D61 VanDerWaalsContact O-CB 3.31Å; H57-D61 WeakPolarHBondContact O-CB 3.43Å; H57-D61 PolarHBondContact O-N 2.79Å; Q59-D61 PolarHBondContact O-N 2.94Å; D61-K64 PolarHBondContact O-N 2.82Å; D61-L65 VanDerWaalsContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CB 3.5Å; D61-L65 WeakPolarHBondContact O-CG 3.31Å; D61-L65 PolarHBondContact O-N 2.91Å; D61-C116 HydrophobicContact CB-CB 4.49Å; D61-C116 WeakPolarHBondContact OD2-CB 3.43Å; D61-N117 PolarHBondContact OD1-N 3.47Å; D61-N117 PolarHBondContact OD2-N 3.49Å; D61-N117 VanDerWaalsContact OD2-N 3.15Å; D61-Y118 PolarHBondContact OD2-N 3.43Å |
| 62 | C | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 175 | -72 | 0 | 0 | 0 | 0 | 112.4 | Y58 Q59 K64 L65 V66 G67 K68 | Y58-C62 WeakPolarHBondContact CE2-SG 3.22Å; Y58-C62 VanDerWaalsContact O-CB 3.28Å; Y58-C62 WeakPolarHBondContact O-CB 3.42Å; Y58-C62 PolarHBondContact O-N 2.78Å; Y58-C62 PolarHBondContact O-SG 3.02Å; Q59-C62 PolarHBondContact O-N 2.9Å; C62-K64 VanDerWaalsContact C-N 3.32Å; C62-K64 PolarHBondContact O-N 3Å; C62-L65 PolarHBondContact O-N 3.13Å; C62-V66 VanDerWaalsContact O-CG2 3.24Å; C62-V66 WeakPolarHBondContact O-CG2 3.47Å; C62-V66 PolarHBondContact O-N 2.92Å; C62-G67 PolarHBondContact O-N 3.26Å; C62-K68 WeakPolarHBondContact CB-O 3.38Å |
| 63 | E | 97.1 | Very high | 97 | Very high | 94 Ų | 94 | 43.2 Ų | 43.2 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 175 | -73.3 | 173.8 | -175.6 | 0 | 0 | 111.1 | Q59 G67 | Q59-E63 HydrophobicContact CG-CG 4.42Å; Q59-E63 VanDerWaalsContact CG-OE1 3.25Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.42Å; Q59-E63 PolarHBondContact NE2-OE1 2.83Å; Q59-E63 WeakPolarHBondContact O-CB 3.25Å; Q59-E63 WeakPolarHBondContact O-CG 3.22Å; Q59-E63 PolarHBondContact O-N 2.78Å; E63-G67 WeakPolarHBondContact O-CA 3.45Å; E63-G67 PolarHBondContact O-N 3.46Å |
| 64 | K | 97.2 | Very high | 96.8 | Very high | 118 Ų | 118 | 46.9 Ų | 46.9 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 176.9 | 179.6 | -171.1 | 177 | -165 | 0 | 113.1 | E60 D61 C62 K115 N117 | E60-K64 VanDerWaalsContact O-CB 3.23Å; E60-K64 WeakPolarHBondContact O-CB 3.28Å; E60-K64 PolarHBondContact O-N 3.46Å; D61-K64 PolarHBondContact O-N 2.82Å; C62-K64 VanDerWaalsContact C-N 3.32Å; C62-K64 PolarHBondContact O-N 3Å; K64-K115 PolarHBondContact NZ-O 3.48Å; K64-N117 PolarHBondContact NZ-OD1 3.05Å |
| 65 | L | 97.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -85.1 | -38 | -170.6 | -66.6 | 175.8 | 0 | 0 | 0 | 113.3 | E23 L27 D61 C62 K115 | E23-L65 HydrophobicContact CG-CD1 4.38Å; L27-L65 HydrophobicContact CD1-CD1 3.94Å; D61-L65 VanDerWaalsContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CB 3.5Å; D61-L65 WeakPolarHBondContact O-CG 3.31Å; D61-L65 PolarHBondContact O-N 2.91Å; C62-L65 PolarHBondContact O-N 3.13Å; L65-K115 HydrophobicContact CD2-CB 3.53Å; L65-K115 HydrophobicContact CD2-CD 4.01Å; L65-K115 HydrophobicContact CD2-CG 4.45Å |
| 66 | V | 97.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -136.4 | 7.3 | -172 | -62 | 0 | 0 | 0 | 0 | 113.9 | L27 P28 A31 C62 K68 I70 | L27-V66 HydrophobicContact CB-CG1 3.97Å; P28-V66 HydrophobicContact CG-CG1 4.31Å; A31-V66 HydrophobicContact CB-CB 3.75Å; A31-V66 HydrophobicContact CB-CG1 4.25Å; A31-V66 HydrophobicContact CB-CG2 4.11Å; C62-V66 VanDerWaalsContact O-CG2 3.24Å; C62-V66 WeakPolarHBondContact O-CG2 3.47Å; C62-V66 PolarHBondContact O-N 2.92Å; V66-K68 VanDerWaalsContact C-N 3.26Å; V66-K68 PolarHBondContact O-N 3Å; V66-I70 HydrophobicContact CG2-CD1 4.18Å; V66-I70 HydrophobicContact CG2-CG1 4.19Å |
| 67 | G | 97.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 78.2 | 0.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | C62 E63 | C62-G67 PolarHBondContact O-N 3.26Å; E63-G67 WeakPolarHBondContact O-CA 3.45Å; E63-G67 PolarHBondContact O-N 3.46Å |
| 68 | K | 96.1 | Very high | 95.7 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -161.7 | 156.4 | 178.3 | 62 | -179.6 | 179.8 | -179.1 | 0 | 111.6 | A31 C62 V66 I70 | A31-K68 VanDerWaalsContact CA-CE 3.49Å; A31-K68 WeakPolarHBondContact O-CE 3.45Å; A31-K68 PolarHBondContact O-NZ 2.81Å; C62-K68 WeakPolarHBondContact CB-O 3.38Å; V66-K68 VanDerWaalsContact C-N 3.26Å; V66-K68 PolarHBondContact O-N 3Å; K68-I70 HydrophobicContact CG-CD1 4.34Å |
| 69 | I | 96.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64 | 135.5 | 169.9 | -58.3 | 173.6 | 0 | 0 | 0 | 109.4 | Y58 Q59 P184 L188 | Y58-I69 HydrophobicContact CE1-CG2 3.97Å; Q59-I69 HydrophobicContact CB-CD1 4.09Å; Q59-I69 HydrophobicContact CB-CG1 4.27Å; Q59-I69 HydrophobicContact CG-CD1 3.66Å; Q59-I69 HydrophobicContact CG-CG1 3.91Å; I69-P184 HydrophobicContact CG2-CB 3.95Å; I69-L188 HydrophobicContact CD1-CD2 4.29Å |
| 70 | I | 97.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 121.8 | 170 | -55.6 | -53.6 | 0 | 0 | 0 | 108.3 | L27 Q30 A31 W48 Y58 V66 K68 | L27-I70 HydrophobicContact CD2-CB 4.32Å; L27-I70 HydrophobicContact CD2-CG1 3.84Å; Q30-I70 HydrophobicContact CB-CD1 4.26Å; Q30-I70 HydrophobicContact CB-CG1 4.44Å; Q30-I70 HydrophobicContact CB-CG2 3.52Å; Q30-I70 HydrophobicContact CG-CG2 4.12Å; A31-I70 HydrophobicContact CB-CD1 3.93Å; W48-I70 HydrophobicContact CH2-CG2 4.24Å; W48-I70 HydrophobicContact CZ2-CB 4.49Å; W48-I70 HydrophobicContact CZ2-CG2 3.8Å; Y58-I70 PolarHBondContact OH-O 3.42Å; V66-I70 HydrophobicContact CG2-CD1 4.18Å; V66-I70 HydrophobicContact CG2-CG1 4.19Å; K68-I70 HydrophobicContact CG-CD1 4.34Å |
| 71 | D | 96.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 157.7 | -178.2 | -162.6 | 38.3 | 0 | 0 | 0 | 111.8 | L36 S185 | L36-D71 HydrophobicContact CD2-CB 4.03Å; L36-D71 WeakPolarHBondContact CD2-O 3.48Å; D71-S185 WeakPolarHBondContact CB-OG 3.45Å; D71-S185 VanDerWaalsContact OD1-CB 3.26Å; D71-S185 WeakPolarHBondContact OD1-CB 3.45Å; D71-S185 PolarHBondContact OD1-N 3.31Å; D71-S185 PolarHBondContact OD1-OG 3.4Å; D71-S185 PolarHBondContact OD2-OG 3.05Å |
| 72 | H | 96.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | trans | -133.6 | 146.9 | -177.7 | 178.5 | -90.5 | 0 | 0 | 0 | 112.4 | H45 W48 M52 V182 H183 | H45-H72 AromaticContact CE1-NE2 3.98Å; H45-H72 AromaticContact NE2-CE1 3.91Å; H45-H72 AromaticContact NE2-NE2 3.16Å; H45-H72 PolarHBondContact NE2-NE2 2.96Å; H45-H72 VanDerWaalsContact NE2-NE2 3.16Å; W48-H72 HydrophobicContact CH2-CB 4.01Å; W48-H72 AromaticContact CH2-CD2 3.64Å; W48-H72 HydrophobicContact CZ2-CB 3.81Å; W48-H72 AromaticContact CZ3-CD2 3.57Å; M52-H72 HydrophobicContact CE-CB 3.86Å; M52-H72 HydrophobicContact SD-CB 3.39Å; M52-H72 WeakPolarHBondContact SD-CB 3.16Å; H72-V182 VanDerWaalsContact CB-O 3.3Å; H72-V182 WeakPolarHBondContact CB-O 3.49Å; H72-V182 PolarHBondContact ND1-O 2.89Å; H72-H183 PolarHBondContact O-ND1 2.92Å | ||
| 73 | K | 92.9 | Very high | 94.8 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | trans | -135.1 | 130.1 | 176.2 | -175.8 | -174.4 | 170.6 | -163.3 | 0 | 110.5 | L36 L75 E79 | L36-K73 HydrophobicContact CB-CB 4.24Å; L36-K73 HydrophobicContact CD2-CB 4.48Å; K73-L75 HydrophobicContact CD-CD2 4.11Å; K73-L75 HydrophobicContact CG-CD2 4.41Å; K73-E79 IonicContact NZ-OE1 3.38Å | ||
| 74 | L | 92.4 | Very high | 94.6 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | trans | -71.5 | 131.6 | 165.5 | -67.5 | 170.5 | 0 | 0 | 0 | 110.4 | T179 V182 H183 | L74-T179 HydrophobicContact CD1-CG2 3.91Å; L74-V182 HydrophobicContact CD1-CG2 4.01Å; L74-V182 HydrophobicContact CD2-CG2 4.47Å; L74-V182 HydrophobicContact CG-CG2 4.21Å; L74-H183 PolarHBondContact N-CE1 3.38Å | ||
| 75 | L | 91.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 72 Ų | 72 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | trans | -110.5 | 142.3 | 178.5 | -62.2 | 176.8 | 0 | 0 | 0 | 109.9 | I39 K73 E79 I80 | I39-L75 HydrophobicContact CG1-CD1 3.89Å; K73-L75 HydrophobicContact CD-CD2 4.11Å; K73-L75 HydrophobicContact CG-CD2 4.41Å; L75-E79 WeakPolarHBondContact CA-OE2 3.49Å; L75-E79 HydrophobicContact CB-CB 4Å; L75-E79 HydrophobicContact CD2-CB 4.39Å; L75-I80 HydrophobicContact CB-CD1 4.44Å; L75-I80 HydrophobicContact CB-CG1 3.85Å | ||
| 76 | S | 91.7 | Very high | 94.4 | Very high | 56 Ų | 56 | 72.1 Ų | 72.1 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | trans | -68.1 | 164.9 | 172 | 82.5 | 0 | 0 | 0 | 0 | 111.6 | D78 E79 I80 | S76-D78 VanDerWaalsContact C-N 3.27Å; S76-D78 PolarHBondContact O-N 3.16Å; S76-D78 PolarHBondContact OG-N 3.38Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 WeakPolarHBondContact O-CB 3.43Å; S76-E79 PolarHBondContact O-N 3.01Å; S76-E79 VanDerWaalsContact O-N 3.13Å; S76-E79 WeakPolarHBondContact OG-CG 3.26Å; S76-E79 PolarHBondContact OG-N 3.18Å; S76-I80 WeakPolarHBondContact O-CG1 3.33Å; S76-I80 PolarHBondContact O-N 2.78Å | ||
| 77 | S | 89.4 | Confident | 94.3 | Very high | 100 Ų | 100 | 70.5 Ų | 70.5 | 70% | 0.699 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.1 | -38.1 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | E79 I80 Q81 | S77-E79 VanDerWaalsContact C-N 3.34Å; S77-I80 PolarHBondContact O-N 3.1Å; S77-Q81 WeakPolarHBondContact O-CB 3.19Å; S77-Q81 PolarHBondContact O-N 3.18Å |
| 78 | D | 93.3 | Very high | 94.3 | Very high | 116 Ų | 116 | 69 Ų | 69 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.5 | -38 | 176.3 | -66 | -18.3 | 0 | 0 | 0 | 111.7 | S76 K82 | S76-D78 VanDerWaalsContact C-N 3.27Å; S76-D78 PolarHBondContact O-N 3.16Å; S76-D78 PolarHBondContact OG-N 3.38Å; D78-K82 VanDerWaalsContact O-CG 3.31Å; D78-K82 WeakPolarHBondContact O-CG 3.32Å; D78-K82 PolarHBondContact O-N 2.9Å; D78-K82 VanDerWaalsContact O-N 3.16Å |
| 79 | E | 94.5 | Very high | 94.2 | Very high | 50 Ų | 50 | 73 Ų | 73 | 23% | 0.234 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.4 | -77 | -169 | 115.1 | 0 | 0 | 111.9 | K73 L75 S76 S77 R83 | K73-E79 IonicContact NZ-OE1 3.38Å; L75-E79 WeakPolarHBondContact CA-OE2 3.49Å; L75-E79 HydrophobicContact CB-CB 4Å; L75-E79 HydrophobicContact CD2-CB 4.39Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 WeakPolarHBondContact O-CB 3.43Å; S76-E79 PolarHBondContact O-N 3.01Å; S76-E79 VanDerWaalsContact O-N 3.13Å; S76-E79 WeakPolarHBondContact OG-CG 3.26Å; S76-E79 PolarHBondContact OG-N 3.18Å; S77-E79 VanDerWaalsContact C-N 3.34Å; E79-R83 WeakPolarHBondContact O-CB 3.46Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.39Å; E79-R83 PolarHBondContact O-N 2.93Å; E79-R83 PolarHBondContact O-NH1 3.2Å; E79-R83 VanDerWaalsContact O-NH1 3.14Å; E79-R83 IonicContact OE1-CZ 3.73Å; E79-R83 IonicContact OE1-NH1 3.69Å; E79-R83 IonicContact OE1-NH2 3.6Å; E79-R83 PolarHBondContact OE1-NH2 3.49Å; E79-R83 VanDerWaalsContact OE1-NH2 3.13Å |
| 80 | I | 92.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 35% | 0.354 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 175.3 | -72.7 | 168.2 | 0 | 0 | 0 | 110 | I39 L75 S76 S77 K82 R83 Y84 | I39-I80 HydrophobicContact CD1-CB 4.17Å; I39-I80 HydrophobicContact CD1-CG1 4.27Å; I39-I80 HydrophobicContact CD1-CG2 4.05Å; I39-I80 WeakPolarHBondContact CD1-O 3.44Å; L75-I80 HydrophobicContact CB-CD1 4.44Å; L75-I80 HydrophobicContact CB-CG1 3.85Å; S76-I80 WeakPolarHBondContact O-CG1 3.33Å; S76-I80 PolarHBondContact O-N 2.78Å; S77-I80 PolarHBondContact O-N 3.1Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 2.67Å; I80-R83 PolarHBondContact O-N 2.87Å; I80-R83 VanDerWaalsContact O-N 3.14Å; I80-Y84 PolarHBondContact O-N 2.94Å |
| 81 | Q | 91.9 | Very high | 94 | Very high | 149 Ų | 149 | 72.3 Ų | 72.3 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60 | -39.4 | -177.4 | -174.2 | 59.6 | 62.2 | 0 | 0 | 112.7 | S77 R83 | S77-Q81 WeakPolarHBondContact O-CB 3.19Å; S77-Q81 PolarHBondContact O-N 3.18Å; Q81-R83 VanDerWaalsContact C-N 3.35Å |
| 82 | K | 94.8 | Very high | 93.9 | Very high | 172 Ų | 172 | 73.5 Ų | 73.5 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.4 | -27.8 | 179.4 | -72.6 | 172 | -176.8 | 174 | 0 | 113.5 | D78 I80 | D78-K82 VanDerWaalsContact O-CG 3.31Å; D78-K82 WeakPolarHBondContact O-CG 3.32Å; D78-K82 PolarHBondContact O-N 2.9Å; D78-K82 VanDerWaalsContact O-N 3.16Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 2.67Å |
| 83 | R | 95 | Very high | 93.7 | Very high | 53 Ų | 53 | 78.1 Ų | 78.1 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -106.6 | -5.8 | -170.9 | -66.7 | 176.1 | 178.3 | 88.6 | -18.7 | 113.9 | N37 I39 E79 I80 Q81 D85 S86 S87 | N37-R83 WeakPolarHBondContact O-CD 3.43Å; N37-R83 PolarHBondContact OD1-NE 2.82Å; N37-R83 PolarHBondContact OD1-NH2 2.84Å; N37-R83 VanDerWaalsContact OD1-NH2 3.12Å; I39-R83 HydrophobicContact CD1-CB 3.96Å; I39-R83 HydrophobicContact CG1-CB 4.5Å; E79-R83 WeakPolarHBondContact O-CB 3.46Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.39Å; E79-R83 PolarHBondContact O-N 2.93Å; E79-R83 PolarHBondContact O-NH1 3.2Å; E79-R83 VanDerWaalsContact O-NH1 3.14Å; E79-R83 IonicContact OE1-CZ 3.73Å; E79-R83 IonicContact OE1-NH1 3.69Å; E79-R83 IonicContact OE1-NH2 3.6Å; E79-R83 PolarHBondContact OE1-NH2 3.49Å; E79-R83 VanDerWaalsContact OE1-NH2 3.13Å; I80-R83 PolarHBondContact O-N 2.87Å; I80-R83 VanDerWaalsContact O-N 3.14Å; Q81-R83 VanDerWaalsContact C-N 3.35Å; R83-D85 PolarHBondContact O-N 3.1Å; R83-S86 PolarHBondContact O-N 3.01Å; R83-S86 PolarHBondContact O-OG 3.08Å; R83-S87 WeakPolarHBondContact O-CB 3.4Å; R83-S87 PolarHBondContact O-N 3.31Å; R83-S87 PolarHBondContact O-OG 2.92Å |
| 84 | Y | 93.6 | Very high | 93.6 | Very high | 101 Ų | 101 | 79 Ų | 79 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -54.6 | -56.6 | -177.2 | -172.9 | -96.2 | 0 | 0 | 0 | 111.8 | I80 S86 S87 V88 Y100 | I80-Y84 PolarHBondContact O-N 2.94Å; Y84-S86 VanDerWaalsContact C-N 3.31Å; Y84-S86 PolarHBondContact O-N 2.86Å; Y84-S87 WeakPolarHBondContact O-CA 3.44Å; Y84-S87 WeakPolarHBondContact O-CB 3.46Å; Y84-S87 PolarHBondContact O-N 2.79Å; Y84-V88 HydrophobicContact CD1-CG2 4.08Å; Y84-V88 HydrophobicContact CE1-CG2 3.73Å; Y84-V88 WeakPolarHBondContact O-CG2 3.5Å; Y84-V88 PolarHBondContact O-N 2.92Å; Y84-Y100 AromaticContact CE2-CE1 3.94Å; Y84-Y100 HydrophobicContact CE2-CE1 3.94Å |
| 85 | D | 94.9 | Very high | 93.3 | Very high | 113 Ų | 113 | 75.5 Ų | 75.5 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.7 | -31.6 | -176.5 | -63.5 | -18.8 | 0 | 0 | 0 | 113.8 | R83 R89 | R83-D85 PolarHBondContact O-N 3.1Å; D85-R89 WeakPolarHBondContact O-CG 3.24Å; D85-R89 PolarHBondContact O-N 2.78Å; D85-R89 PolarHBondContact O-NE 2.83Å; D85-R89 VanDerWaalsContact O-NE 3.12Å |
| 86 | S | 95.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 79.4 Ų | 79.4 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.5 | -35.2 | 172.5 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | R83 Y84 R89 A90 | R83-S86 PolarHBondContact O-N 3.01Å; R83-S86 PolarHBondContact O-OG 3.08Å; Y84-S86 VanDerWaalsContact C-N 3.31Å; Y84-S86 PolarHBondContact O-N 2.86Å; S86-R89 PolarHBondContact O-N 2.96Å; S86-A90 WeakPolarHBondContact O-CB 3.38Å; S86-A90 PolarHBondContact O-N 3.28Å |
| 87 | S | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | I39 R83 Y84 A90 W91 | I39-S87 PolarHBondContact N-OG 3.29Å; R83-S87 WeakPolarHBondContact O-CB 3.4Å; R83-S87 PolarHBondContact O-N 3.31Å; R83-S87 PolarHBondContact O-OG 2.92Å; Y84-S87 WeakPolarHBondContact O-CA 3.44Å; Y84-S87 WeakPolarHBondContact O-CB 3.46Å; Y84-S87 PolarHBondContact O-N 2.79Å; S87-A90 PolarHBondContact O-N 3.34Å; S87-W91 WeakPolarHBondContact O-CB 3.41Å; S87-W91 PolarHBondContact O-N 2.9Å |
| 88 | V | 95.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 76.8 Ų | 76.8 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 172.6 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | Y84 A90 W91 D92 Y100 | Y84-V88 HydrophobicContact CD1-CG2 4.08Å; Y84-V88 HydrophobicContact CE1-CG2 3.73Å; Y84-V88 WeakPolarHBondContact O-CG2 3.5Å; Y84-V88 PolarHBondContact O-N 2.92Å; V88-A90 PolarHBondContact O-N 2.72Å; V88-W91 PolarHBondContact O-N 3.12Å; V88-D92 WeakPolarHBondContact CG1-OD2 3.48Å; V88-D92 WeakPolarHBondContact O-CB 3.26Å; V88-D92 VanDerWaalsContact O-CG 3.24Å; V88-D92 PolarHBondContact O-N 3.47Å; V88-Y100 HydrophobicContact CB-CG 4.4Å; V88-Y100 HydrophobicContact CG1-CG 4.37Å; V88-Y100 HydrophobicContact CG2-CD1 3.78Å; V88-Y100 HydrophobicContact CG2-CD2 4.25Å; V88-Y100 HydrophobicContact CG2-CE1 3.96Å; V88-Y100 HydrophobicContact CG2-CE2 4.4Å; V88-Y100 HydrophobicContact CG2-CG 3.92Å |
| 89 | R | 94.8 | Very high | 92.5 | Very high | 171 Ų | 171 | 73.3 Ų | 73.3 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 177.2 | -75.4 | -178.2 | -70.6 | 156.9 | -4.3 | 113.3 | D85 S86 D92 S93 | D85-R89 WeakPolarHBondContact O-CG 3.24Å; D85-R89 PolarHBondContact O-N 2.78Å; D85-R89 PolarHBondContact O-NE 2.83Å; D85-R89 VanDerWaalsContact O-NE 3.12Å; S86-R89 PolarHBondContact O-N 2.96Å; R89-D92 PolarHBondContact O-N 2.97Å; R89-S93 VanDerWaalsContact O-CB 3.26Å; R89-S93 WeakPolarHBondContact O-CB 3.44Å; R89-S93 PolarHBondContact O-N 3.47Å |
| 90 | A | 94.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 71.7 Ų | 71.7 | 31% | 0.306 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V38 S86 S87 V88 S93 Y94 | V38-A90 HydrophobicContact CG1-CB 4.31Å; V38-A90 HydrophobicContact CG2-CB 4.18Å; S86-A90 WeakPolarHBondContact O-CB 3.38Å; S86-A90 PolarHBondContact O-N 3.28Å; S87-A90 PolarHBondContact O-N 3.34Å; V88-A90 PolarHBondContact O-N 2.72Å; A90-S93 PolarHBondContact O-N 2.87Å; A90-Y94 PolarHBondContact O-N 3.5Å |
| 91 | W | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 174 | 177.1 | -82.4 | 0 | 0 | 0 | 111.7 | R21 F25 W26 P41 V44 S87 V88 S93 Y94 C95 E98 Y100 | R21-W91 HydrophobicContact CB-CH2 4.46Å; F25-W91 HydrophobicContact CB-CH2 3.73Å; F25-W91 HydrophobicContact CB-CZ2 4.24Å; F25-W91 HydrophobicContact CB-CZ3 4.23Å; F25-W91 HydrophobicContact CD2-CH2 4.41Å; F25-W91 HydrophobicContact CD2-CZ2 4.42Å; F25-W91 HydrophobicContact CG-CH2 4.42Å; W26-W91 HydrophobicContact CB-CZ3 4.32Å; W26-W91 HydrophobicContact CE3-CE3 4.07Å; W26-W91 AromaticContact CE3-CZ3 3.93Å; W26-W91 HydrophobicContact CE3-CZ3 3.93Å; P41-W91 HydrophobicContact CG-CD2 3.93Å; P41-W91 HydrophobicContact CG-CE3 3.71Å; P41-W91 HydrophobicContact CG-CH2 3.92Å; P41-W91 HydrophobicContact CG-CZ2 4.12Å; P41-W91 HydrophobicContact CG-CZ3 3.71Å; V44-W91 HydrophobicContact CG2-CH2 4.33Å; S87-W91 WeakPolarHBondContact O-CB 3.41Å; S87-W91 PolarHBondContact O-N 2.9Å; V88-W91 PolarHBondContact O-N 3.12Å; W91-S93 PolarHBondContact O-N 3.29Å; W91-Y94 PolarHBondContact O-N 3.02Å; W91-C95 HydrophobicContact CD2-CB 4.28Å; W91-C95 HydrophobicContact CG-CB 4.4Å; W91-C95 HydrophobicContact CZ2-CB 4.27Å; W91-C95 WeakPolarHBondContact O-CA 3.3Å; W91-C95 VanDerWaalsContact O-CB 3.3Å; W91-C95 WeakPolarHBondContact O-CB 3.49Å; W91-C95 PolarHBondContact O-N 3.17Å; W91-E98 HydrophobicContact CZ2-CB 4.47Å; W91-E98 HydrophobicContact CZ2-CG 3.91Å; W91-E98 PolarHBondContact NE1-O 3.31Å; W91-Y100 HydrophobicContact CB-CD2 3.59Å; W91-Y100 HydrophobicContact CB-CE2 4.3Å; W91-Y100 HydrophobicContact CD2-CD2 4.21Å; W91-Y100 AromaticContact CG-CD2 3.69Å; W91-Y100 HydrophobicContact CG-CD2 3.69Å; W91-Y100 HydrophobicContact CG-CG 4.44Å |
| 92 | D | 93.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 66.5 Ų | 66.5 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | -177.6 | -68.1 | -18.9 | 0 | 0 | 0 | 112 | V88 R89 Y94 S96 | V88-D92 WeakPolarHBondContact CG1-OD2 3.48Å; V88-D92 WeakPolarHBondContact O-CB 3.26Å; V88-D92 VanDerWaalsContact O-CG 3.24Å; V88-D92 PolarHBondContact O-N 3.47Å; R89-D92 PolarHBondContact O-N 2.97Å; D92-Y94 VanDerWaalsContact C-N 3.35Å; D92-S96 WeakPolarHBondContact O-CA 3.29Å; D92-S96 PolarHBondContact O-N 2.93Å |
| 93 | S | 92.9 | Very high | 92.2 | Very high | 107 Ų | 107 | 63.9 Ų | 63.9 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.7 | -32.8 | 175.9 | -174 | 0 | 0 | 0 | 0 | 112.9 | R89 A90 W91 | R89-S93 VanDerWaalsContact O-CB 3.26Å; R89-S93 WeakPolarHBondContact O-CB 3.44Å; R89-S93 PolarHBondContact O-N 3.47Å; A90-S93 PolarHBondContact O-N 2.87Å; W91-S93 PolarHBondContact O-N 3.29Å |
| 94 | Y | 91.1 | Very high | 91.8 | Very high | 98 Ų | 98 | 64 Ų | 64 | 38% | 0.384 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -91.2 | -36.4 | 179.5 | -168.8 | -88.3 | 0 | 0 | 0 | 112.1 | M29 A32 A90 W91 D92 | M29-Y94 HydrophobicContact CB-CD1 3.63Å; M29-Y94 HydrophobicContact CB-CD2 4.22Å; M29-Y94 HydrophobicContact CB-CE1 3.66Å; M29-Y94 HydrophobicContact CB-CE2 4.24Å; M29-Y94 HydrophobicContact CB-CG 3.93Å; M29-Y94 HydrophobicContact CG-CD1 3.82Å; M29-Y94 HydrophobicContact CG-CD2 3.84Å; M29-Y94 HydrophobicContact CG-CE1 4.27Å; M29-Y94 HydrophobicContact CG-CE2 4.28Å; M29-Y94 HydrophobicContact CG-CG 3.59Å; M29-Y94 HydrophobicContact SD-CD1 4.36Å; M29-Y94 HydrophobicContact SD-CG 4.15Å; A32-Y94 HydrophobicContact CB-CE2 4.37Å; A90-Y94 PolarHBondContact O-N 3.5Å; W91-Y94 PolarHBondContact O-N 3.02Å; D92-Y94 VanDerWaalsContact C-N 3.35Å |
| 95 | C | 87.3 | Confident | 91.4 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | trans | -117.2 | 51.9 | -169.5 | -48.6 | 0 | 0 | 0 | 0 | 111.4 | F25 W91 A97 E98 | F25-C95 HydrophobicContact CD1-CB 4.27Å; W91-C95 HydrophobicContact CD2-CB 4.28Å; W91-C95 HydrophobicContact CG-CB 4.4Å; W91-C95 HydrophobicContact CZ2-CB 4.27Å; W91-C95 WeakPolarHBondContact O-CA 3.3Å; W91-C95 VanDerWaalsContact O-CB 3.3Å; W91-C95 WeakPolarHBondContact O-CB 3.49Å; W91-C95 PolarHBondContact O-N 3.17Å; C95-A97 PolarHBondContact O-N 3.38Å; C95-E98 HydrophobicContact CB-CB 4.35Å; C95-E98 PolarHBondContact O-N 2.9Å | ||
| 96 | S | 79.5 | Confident | 90.4 | Very high | 117 Ų | 117 | 64 Ų | 64 | 82% | 0.818 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.3 | -169.9 | 66.9 | 0 | 0 | 0 | 0 | 115.5 | D92 | D92-S96 WeakPolarHBondContact O-CA 3.29Å; D92-S96 PolarHBondContact O-N 2.93Å |
| 97 | A | 84.8 | Confident | 89.2 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 78% | 0.777 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C95 | C95-A97 PolarHBondContact O-N 3.38Š|
| 98 | E | 90.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.028 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -118.8 | 115.8 | -174.5 | -177 | 70.2 | -153.3 | 0 | 0 | 109.4 | H17 R20 R21 F25 W91 C95 S105 | H17-E98 IonicContact CE1-OE1 2.82Å; H17-E98 IonicContact NE2-OE1 3.69Å; R20-E98 IonicContact CZ-OE2 2.63Å; R20-E98 IonicContact NH1-OE2 3.13Å; R20-E98 PolarHBondContact NH1-OE2 3.14Å; R20-E98 VanDerWaalsContact NH1-OE2 3.13Å; R20-E98 IonicContact NH2-OE1 2.84Å; R20-E98 PolarHBondContact NH2-OE1 2.83Å; R20-E98 IonicContact NH2-OE2 3.33Å; R20-E98 PolarHBondContact NH2-OE2 2.72Å; R21-E98 WeakPolarHBondContact CD-OE1 3.24Å; R21-E98 HydrophobicContact CG-CG 4.26Å; R21-E98 IonicContact CZ-OE1 3.65Å; R21-E98 IonicContact NE-OE1 3.74Å; R21-E98 PolarHBondContact NE-OE1 3.48Å; F25-E98 HydrophobicContact CD2-CB 4.25Å; F25-E98 HydrophobicContact CD2-CG 4Å; F25-E98 HydrophobicContact CE1-CB 4.45Å; F25-E98 HydrophobicContact CE2-CB 3.82Å; F25-E98 HydrophobicContact CE2-CG 3.72Å; F25-E98 HydrophobicContact CZ-CB 3.93Å; F25-E98 HydrophobicContact CZ-CG 4.34Å; W91-E98 HydrophobicContact CZ2-CB 4.47Å; W91-E98 HydrophobicContact CZ2-CG 3.91Å; W91-E98 PolarHBondContact NE1-O 3.31Å; C95-E98 HydrophobicContact CB-CB 4.35Å; C95-E98 PolarHBondContact O-N 2.9Å; E98-S105 PolarHBondContact OE1-OG 3.06Å |
| 99 | P | 93.1 | Very high | 86 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | trans | -66.1 | 149.2 | -177.2 | 27.4 | -33.7 | 0 | 0 | 0 | 111.4 | R21 A104 | R21-P99 PolarHBondContact NH2-O 2.85Å; P99-A104 HydrophobicContact CB-CB 4.16Å; P99-A104 HydrophobicContact CG-CB 4.06Å | ||
| 100 | Y | 94.3 | Very high | 84.3 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -61.1 | -46.1 | 172.8 | -175.4 | -88.7 | 0 | 0 | 0 | 111.9 | R21 I39 P40 P41 Y84 V88 W91 F102 | R21-Y100 PolarHBondContact NH2-O 3.12Å; I39-Y100 WeakPolarHBondContact O-CE2 3.25Å; I39-Y100 PolarHBondContact O-OH 2.86Å; P40-Y100 PolarHBondContact O-OH 2.63Å; P41-Y100 WeakPolarHBondContact CB-O 3.46Å; P41-Y100 HydrophobicContact CG-CD2 3.77Å; P41-Y100 HydrophobicContact CG-CE2 3.86Å; P41-Y100 HydrophobicContact CG-CG 4.2Å; Y84-Y100 AromaticContact CE2-CE1 3.94Å; Y84-Y100 HydrophobicContact CE2-CE1 3.94Å; V88-Y100 HydrophobicContact CB-CG 4.4Å; V88-Y100 HydrophobicContact CG1-CG 4.37Å; V88-Y100 HydrophobicContact CG2-CD1 3.78Å; V88-Y100 HydrophobicContact CG2-CD2 4.25Å; V88-Y100 HydrophobicContact CG2-CE1 3.96Å; V88-Y100 HydrophobicContact CG2-CE2 4.4Å; V88-Y100 HydrophobicContact CG2-CG 3.92Å; W91-Y100 HydrophobicContact CB-CD2 3.59Å; W91-Y100 HydrophobicContact CB-CE2 4.3Å; W91-Y100 HydrophobicContact CD2-CD2 4.21Å; W91-Y100 AromaticContact CG-CD2 3.69Å; W91-Y100 HydrophobicContact CG-CD2 3.69Å; W91-Y100 HydrophobicContact CG-CG 4.44Å; Y100-F102 PolarHBondContact O-N 3.13Å |
| 101 | D | 92.6 | Very high | 83 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -71.2 | 108.3 | 171.8 | -176.7 | 2.5 | 0 | 0 | 0 | 110 | L103 A104 | D101-L103 PolarHBondContact O-N 3.34Å; D101-L103 WeakPolarHBondContact OD1-CB 3.32Å; D101-L103 PolarHBondContact OD1-N 3.38Å; D101-A104 HydrophobicContact CB-CB 4.46Å; D101-A104 WeakPolarHBondContact O-CB 3.16Å; D101-A104 PolarHBondContact O-N 2.9Å |
| 102 | F | 90.8 | Very high | 82.4 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 11% | 0.114 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -64.4 | -21.7 | -176.8 | 72.4 | -87 | 0 | 0 | 0 | 113.2 | L8 L9 V14 L42 D43 Y100 A104 S105 | L8-F102 HydrophobicContact CD1-CE2 3.53Å; L8-F102 HydrophobicContact CD1-CZ 3.54Å; L9-F102 HydrophobicContact CD2-CZ 4.33Å; V14-F102 HydrophobicContact CG1-CD2 4.45Å; V14-F102 HydrophobicContact CG1-CE2 4.14Å; L42-F102 HydrophobicContact CB-CE1 4.46Å; D43-F102 HydrophobicContact CB-CB 4.34Å; D43-F102 HydrophobicContact CB-CD1 3.94Å; D43-F102 HydrophobicContact CB-CD2 4.15Å; D43-F102 HydrophobicContact CB-CE1 4.33Å; D43-F102 HydrophobicContact CB-CG 3.87Å; D43-F102 VanDerWaalsContact CG-CB 3.41Å; D43-F102 VanDerWaalsContact CG-CG 3.47Å; D43-F102 WeakPolarHBondContact OD1-CB 3.21Å; D43-F102 WeakPolarHBondContact OD1-CD1 3.2Å; D43-F102 WeakPolarHBondContact OD2-CB 3.39Å; Y100-F102 PolarHBondContact O-N 3.13Å; F102-A104 VanDerWaalsContact C-N 3.26Å; F102-A104 PolarHBondContact O-N 3.41Å; F102-S105 WeakPolarHBondContact O-CB 3.45Å; F102-S105 PolarHBondContact O-N 2.84Å |
| 103 | L | 89.8 | Confident | 82.2 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 61% | 0.613 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -72.6 | -21.7 | 175.7 | -63.1 | 176 | 0 | 0 | 0 | 112.5 | L8 D101 S105 | L8-L103 HydrophobicContact CD2-CD2 4.44Å; D101-L103 PolarHBondContact O-N 3.34Å; D101-L103 WeakPolarHBondContact OD1-CB 3.32Å; D101-L103 PolarHBondContact OD1-N 3.38Å; L103-S105 VanDerWaalsContact C-N 3.32Å |
| 104 | A | 88 | Confident | 82.1 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -84.6 | -7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | P99 D101 F102 Q106 | P99-A104 HydrophobicContact CB-CB 4.16Å; P99-A104 HydrophobicContact CG-CB 4.06Å; D101-A104 HydrophobicContact CB-CB 4.46Å; D101-A104 WeakPolarHBondContact O-CB 3.16Å; D101-A104 PolarHBondContact O-N 2.9Å; F102-A104 VanDerWaalsContact C-N 3.26Å; F102-A104 PolarHBondContact O-N 3.41Å; A104-Q106 PolarHBondContact O-N 3.49Å |
| 105 | S | 84.1 | Confident | 82.3 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 16% | 0.161 | 45% | 0.449 | C | S | . | . | trans | -67.9 | 129.1 | 179 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | H17 E98 F102 L103 T107 | H17-S105 PolarHBondContact CE1-OG 3.26Å; H17-S105 VanDerWaalsContact NE2-CB 3.3Å; H17-S105 WeakPolarHBondContact NE2-CB 3.45Å; H17-S105 PolarHBondContact NE2-OG 3.27Å; E98-S105 PolarHBondContact OE1-OG 3.06Å; F102-S105 WeakPolarHBondContact O-CB 3.45Å; F102-S105 PolarHBondContact O-N 2.84Å; L103-S105 VanDerWaalsContact C-N 3.32Å; S105-T107 PolarHBondContact OG-N 3.33Å | ||
| 106 | Q | 74.6 | Confident | 82.7 | Confident | 189 Ų | 189 | 77.2 Ų | 77.2 | 88% | 0.883 | 45% | 0.451 | S | S | * | . | trans | -98.1 | -5.4 | -179.9 | -60.1 | -177.2 | 10.2 | 0 | 0 | 113.4 | A104 | A104-Q106 PolarHBondContact O-N 3.49Š| ||
| 107 | T | 70.1 | Confident | 83.3 | Confident | 69 Ų | 69 | 77 Ų | 77 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -76.6 | 126.2 | -177.1 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | S105 | S105-T107 PolarHBondContact OG-N 3.33Š|
| 108 | P | 63.4 | Low | 83.8 | Confident | 95 Ų | 95 | 73.4 Ų | 73.4 | 62% | 0.617 | 41% | 0.407 | S | S | * | . | trans | -63.5 | 134.5 | 176.4 | -20.6 | 31.8 | 0 | 0 | 0 | 111.9 | T110 | P108-T110 VanDerWaalsContact C-N 3.26Å; P108-T110 PolarHBondContact O-N 3.08Å | ||
| 109 | P | 60.5 | Low | 84.1 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 24% | 0.24 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -68.3 | -16.9 | -176.6 | -20.2 | 31.2 | 0 | 0 | 0 | 115.3 | D13 H17 A111 | D13-P109 HydrophobicContact CB-CG 4.38Å; H17-P109 HydrophobicContact CB-CB 4.22Å; H17-P109 HydrophobicContact CB-CG 4.22Å; P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A111 PolarHBondContact O-N 3.45Å; P109-A111 VanDerWaalsContact O-N 3.16Å |
| 110 | T | 58.9 | Low | 84.3 | Confident | 126 Ų | 126 | 75.8 Ų | 75.8 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -78.5 | -3.4 | -152.1 | 45.5 | 0 | 0 | 0 | 0 | 116.6 | P108 | P108-T110 VanDerWaalsContact C-N 3.26Å; P108-T110 PolarHBondContact O-N 3.08Å |
| 111 | A | 67.2 | Low | 84.3 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 81% | 0.81 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -111.2 | -5.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | P109 | P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A111 PolarHBondContact O-N 3.45Å; P109-A111 VanDerWaalsContact O-N 3.16Å |
| 112 | Y | 83.4 | Confident | 84.4 | Confident | 60 Ų | 60 | 73 Ų | 73 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 121.8 | -176.6 | -170 | -104 | 0 | 0 | 0 | 112 | R20 E23 T24 | R20-Y112 HydrophobicContact CB-CD1 3.63Å; R20-Y112 HydrophobicContact CB-CD2 4.1Å; R20-Y112 HydrophobicContact CB-CE1 4.13Å; R20-Y112 HydrophobicContact CB-CG 3.62Å; R20-Y112 HydrophobicContact CG-CD1 4.17Å; R20-Y112 HydrophobicContact CG-CD2 3.68Å; R20-Y112 HydrophobicContact CG-CE2 4.1Å; R20-Y112 HydrophobicContact CG-CG 3.72Å; E23-Y112 HydrophobicContact CB-CE1 4.48Å; E23-Y112 WeakPolarHBondContact CB-OH 3.39Å; E23-Y112 VanDerWaalsContact OE2-CE1 3.31Å; E23-Y112 WeakPolarHBondContact OE2-CE1 3.17Å; E23-Y112 VanDerWaalsContact OE2-CZ 3.3Å; E23-Y112 PolarHBondContact OE2-OH 2.88Å; T24-Y112 HydrophobicContact CG2-CE2 3.7Å |
| 113 | K | 89.1 | Confident | 84.6 | Confident | 183 Ų | 183 | 71.8 Ų | 71.8 | 80% | 0.796 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 119.6 | 170.1 | -172.1 | 176.5 | -179 | -179.7 | 0 | 108.7 | ||
| 114 | T | 91.6 | Very high | 84.9 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 139.4 | 176 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | E23 C116 | E23-T114 WeakPolarHBondContact OE1-CB 3.39Å; E23-T114 PolarHBondContact OE1-OG1 3.09Å; T114-C116 PolarHBondContact OG1-N 2.8Å |
| 115 | K | 94.6 | Very high | 85.1 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | trans | -96.1 | -15.2 | 175.9 | -58.5 | 175.1 | -175.4 | 173.9 | 0 | 112.5 | E23 K64 L65 | E23-K115 PolarHBondContact OE1-N 2.87Å; E23-K115 WeakPolarHBondContact OE2-CB 3.28Å; E23-K115 PolarHBondContact OE2-N 3.22Å; K64-K115 PolarHBondContact NZ-O 3.48Å; L65-K115 HydrophobicContact CD2-CB 3.53Å; L65-K115 HydrophobicContact CD2-CD 4.01Å; L65-K115 HydrophobicContact CD2-CG 4.45Å | ||
| 116 | C | 94.8 | Very high | 85.4 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | trans | -65.1 | 142.7 | 172.6 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | E23 D61 T114 I120 | E23-C116 PolarHBondContact OE1-SG 2.83Å; D61-C116 HydrophobicContact CB-CB 4.49Å; D61-C116 WeakPolarHBondContact OD2-CB 3.43Å; T114-C116 PolarHBondContact OG1-N 2.8Å; C116-I120 HydrophobicContact CB-CD1 3.98Å | ||
| 117 | N | 93.1 | Very high | 86.3 | Confident | 113 Ų | 113 | 59 Ų | 59 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -78.4 | -28.9 | 174.2 | -69 | -15.6 | 0 | 0 | 0 | 111.2 | D61 K64 | D61-N117 PolarHBondContact OD1-N 3.47Å; D61-N117 PolarHBondContact OD2-N 3.49Å; D61-N117 VanDerWaalsContact OD2-N 3.15Å; K64-N117 PolarHBondContact NZ-OD1 3.05Å |
| 118 | Y | 95.9 | Very high | 87.4 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -81 | 138.2 | -179.2 | -178.8 | -112.5 | 0 | 0 | 0 | 112.6 | H51 H57 D61 I120 A123 R126 D203 | H51-Y118 AromaticContact CD2-CD1 3.87Å; H57-Y118 HydrophobicContact CB-CD2 4.16Å; H57-Y118 HydrophobicContact CB-CG 3.99Å; H57-Y118 AromaticContact CE1-CD2 3.99Å; H57-Y118 AromaticContact CG-CD2 3.82Å; H57-Y118 AromaticContact ND1-CD2 3.58Å; H57-Y118 AromaticContact ND1-CE2 3.99Å; D61-Y118 PolarHBondContact OD2-N 3.43Å; Y118-I120 VanDerWaalsContact C-N 3.28Å; Y118-I120 HydrophobicContact CD1-CG1 3.75Å; Y118-I120 HydrophobicContact CE1-CG1 4.42Å; Y118-I120 PolarHBondContact O-N 3.25Å; Y118-A123 HydrophobicContact CE1-CB 3.76Å; Y118-A123 WeakPolarHBondContact OH-CB 3.24Å; Y118-R126 PolarHBondContact OH-NH2 3.5Å; Y118-D203 PolarHBondContact OH-OD1 3.12Å; Y118-D203 PolarHBondContact OH-OD2 3.43Å |
| 119 | D | 96.1 | Very high | 88.8 | Confident | 96 Ų | 96 | 54.4 Ų | 54.4 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | trans | -77.1 | 78.3 | 177.2 | 177.9 | 21.9 | 0 | 0 | 0 | 111.2 | A121 G122 A123 | D119-A121 VanDerWaalsContact C-N 3.28Å; D119-A121 PolarHBondContact O-N 3.46Å; D119-A121 PolarHBondContact OD1-N 2.87Å; D119-G122 PolarHBondContact O-N 3.12Å; D119-G122 PolarHBondContact OD1-N 2.7Å; D119-G122 WeakPolarHBondContact OD2-CA 3.47Å; D119-G122 PolarHBondContact OD2-N 2.99Å; D119-A123 PolarHBondContact O-N 3.41Å | ||
| 120 | I | 96.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 178.3 | -58.7 | 166.9 | 0 | 0 | 0 | 110.7 | L19 Y22 V47 T50 H51 C116 Y118 A123 V124 | L19-I120 HydrophobicContact CD2-CB 3.71Å; L19-I120 HydrophobicContact CD2-CD1 3.86Å; L19-I120 HydrophobicContact CD2-CG1 4.38Å; L19-I120 HydrophobicContact CD2-CG2 3.66Å; Y22-I120 HydrophobicContact CE1-CD1 4.24Å; V47-I120 HydrophobicContact CB-CG2 4.08Å; T50-I120 WeakPolarHBondContact OG1-CG2 3.4Å; H51-I120 HydrophobicContact CB-CD1 3.99Å; H51-I120 HydrophobicContact CB-CG1 4.1Å; C116-I120 HydrophobicContact CB-CD1 3.98Å; Y118-I120 VanDerWaalsContact C-N 3.28Å; Y118-I120 HydrophobicContact CD1-CG1 3.75Å; Y118-I120 HydrophobicContact CE1-CG1 4.42Å; Y118-I120 PolarHBondContact O-N 3.25Å; I120-A123 WeakPolarHBondContact O-CB 3.15Å; I120-A123 PolarHBondContact O-N 3.42Å; I120-A123 VanDerWaalsContact O-N 3.14Å; I120-V124 WeakPolarHBondContact O-CG2 3.43Å; I120-V124 PolarHBondContact O-N 3.32Å |
| 121 | A | 94.5 | Very high | 92 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V15 L19 D119 A123 V124 Q125 | V15-A121 HydrophobicContact CG1-CB 3.96Å; L19-A121 HydrophobicContact CD1-CB 4.18Å; D119-A121 VanDerWaalsContact C-N 3.28Å; D119-A121 PolarHBondContact O-N 3.46Å; D119-A121 PolarHBondContact OD1-N 2.87Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A121-V124 PolarHBondContact O-N 3.11Å; A121-Q125 PolarHBondContact O-N 3.09Å |
| 122 | G | 94.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D119 V124 Q125 R126 | D119-G122 PolarHBondContact O-N 3.12Å; D119-G122 PolarHBondContact OD1-N 2.7Å; D119-G122 WeakPolarHBondContact OD2-CA 3.47Å; D119-G122 PolarHBondContact OD2-N 2.99Å; G122-V124 PolarHBondContact O-N 3.43Å; G122-Q125 PolarHBondContact O-N 2.87Å; G122-R126 VanDerWaalsContact C-NH1 3.3Å; G122-R126 WeakPolarHBondContact O-CG 3.3Å; G122-R126 PolarHBondContact O-N 2.68Å; G122-R126 PolarHBondContact O-NH1 3.28Å |
| 123 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y118 D119 I120 A121 Q125 R126 Q127 | Y118-A123 HydrophobicContact CE1-CB 3.76Å; Y118-A123 WeakPolarHBondContact OH-CB 3.24Å; D119-A123 PolarHBondContact O-N 3.41Å; I120-A123 WeakPolarHBondContact O-CB 3.15Å; I120-A123 PolarHBondContact O-N 3.42Å; I120-A123 VanDerWaalsContact O-N 3.14Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A123-Q125 VanDerWaalsContact C-N 3.29Å; A123-Q125 PolarHBondContact O-N 2.87Å; A123-R126 VanDerWaalsContact CA-NH2 3.33Å; A123-R126 PolarHBondContact O-N 3.37Å; A123-R126 VanDerWaalsContact O-N 3.13Å; A123-Q127 WeakPolarHBondContact O-CB 3.39Å; A123-Q127 WeakPolarHBondContact O-CG 3.47Å; A123-Q127 PolarHBondContact O-N 3.4Å |
| 124 | V | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54 | -44.7 | 173.1 | 163.9 | 0 | 0 | 0 | 0 | 111.6 | Y10 V15 W46 V47 T50 I120 A121 G122 Q127 R128 | Y10-V124 HydrophobicContact CD1-CG1 3.78Å; Y10-V124 HydrophobicContact CE1-CG1 4.37Å; V15-V124 HydrophobicContact CG1-CG2 4.29Å; V15-V124 HydrophobicContact CG2-CG1 3.88Å; W46-V124 HydrophobicContact CZ2-CG1 4.3Å; W46-V124 VanDerWaalsContact NE1-CG1 3.32Å; V47-V124 HydrophobicContact CG1-CG2 4.36Å; T50-V124 HydrophobicContact CG2-CG2 3.89Å; I120-V124 WeakPolarHBondContact O-CG2 3.43Å; I120-V124 PolarHBondContact O-N 3.32Å; A121-V124 PolarHBondContact O-N 3.11Å; G122-V124 PolarHBondContact O-N 3.43Å; V124-Q127 PolarHBondContact O-N 2.8Å; V124-R128 PolarHBondContact O-N 3.35Å |
| 125 | Q | 91.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 32 Ų | 32 | 29% | 0.285 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.7 | -38.1 | 178.3 | -62.4 | -57.8 | -32.6 | 0 | 0 | 112.5 | Y10 A121 G122 A123 R128 | Y10-Q125 PolarHBondContact O-NE2 3.18Å; A121-Q125 PolarHBondContact O-N 3.09Å; G122-Q125 PolarHBondContact O-N 2.87Å; A123-Q125 VanDerWaalsContact C-N 3.29Å; A123-Q125 PolarHBondContact O-N 2.87Å; Q125-R128 WeakPolarHBondContact O-CB 3.37Å; Q125-R128 PolarHBondContact O-N 3.44Å |
| 126 | R | 92.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 26.9 Ų | 26.9 | 19% | 0.185 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 176.5 | -66.9 | -174.2 | -61 | -91.8 | 3.9 | 111.5 | Y118 G122 A123 R128 N129 F130 D203 | Y118-R126 PolarHBondContact OH-NH2 3.5Å; G122-R126 VanDerWaalsContact C-NH1 3.3Å; G122-R126 WeakPolarHBondContact O-CG 3.3Å; G122-R126 PolarHBondContact O-N 2.68Å; G122-R126 PolarHBondContact O-NH1 3.28Å; A123-R126 VanDerWaalsContact CA-NH2 3.33Å; A123-R126 PolarHBondContact O-N 3.37Å; A123-R126 VanDerWaalsContact O-N 3.13Å; R126-R128 PolarHBondContact O-N 3.03Å; R126-N129 WeakPolarHBondContact O-CB 3.32Å; R126-N129 PolarHBondContact O-N 3.02Å; R126-F130 PolarHBondContact O-N 3.42Å; R126-D203 VanDerWaalsContact CD-O 3.3Å; R126-D203 WeakPolarHBondContact CD-O 3.41Å; R126-D203 IonicContact CZ-OD2 3.19Å; R126-D203 PolarHBondContact NE-O 3.46Å; R126-D203 IonicContact NE-OD2 3.41Å; R126-D203 PolarHBondContact NE-OD2 2.81Å; R126-D203 IonicContact NH2-OD1 2.93Å; R126-D203 PolarHBondContact NH2-OD1 2.99Å; R126-D203 IonicContact NH2-OD2 3.59Å; R126-D203 PolarHBondContact NH2-OD2 3.31Å |
| 127 | Q | 93.4 | Very high | 94 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -24.7 | 178.3 | -71.3 | -58 | -31.6 | 0 | 0 | 113.2 | W46 T50 L53 A123 V124 N129 F130 N131 | W46-Q127 HydrophobicContact CH2-CB 3.75Å; W46-Q127 HydrophobicContact CZ2-CB 4.13Å; T50-Q127 HydrophobicContact CG2-CB 4.26Å; T50-Q127 HydrophobicContact CG2-CG 3.98Å; L53-Q127 VanDerWaalsContact CD1-CD 3.41Å; L53-Q127 HydrophobicContact CD1-CG 4.07Å; A123-Q127 WeakPolarHBondContact O-CB 3.39Å; A123-Q127 WeakPolarHBondContact O-CG 3.47Å; A123-Q127 PolarHBondContact O-N 3.4Å; V124-Q127 PolarHBondContact O-N 2.8Å; Q127-N129 VanDerWaalsContact C-N 3.25Å; Q127-N129 PolarHBondContact O-N 3.47Å; Q127-F130 PolarHBondContact O-N 2.57Å; Q127-N131 WeakPolarHBondContact O-CB 3.43Å; Q127-N131 VanDerWaalsContact O-CG 3.24Å; Q127-N131 PolarHBondContact O-N 3.26Å; Q127-N131 PolarHBondContact O-ND2 2.9Å |
| 128 | R | 92.6 | Very high | 94.1 | Very high | 44 Ų | 44 | 22.3 Ų | 22.3 | 17% | 0.166 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -53 | -44.3 | 168.7 | -164.6 | 175 | -170.1 | 172.5 | 5.6 | 112.7 | D3 Y10 V124 Q125 R126 Y132 A245 F248 | D3-R128 WeakPolarHBondContact OD1-CG 3.4Å; D3-R128 IonicContact OD1-CZ 3.04Å; D3-R128 IonicContact OD1-NE 3.23Å; D3-R128 PolarHBondContact OD1-NE 3.05Å; D3-R128 IonicContact OD1-NH2 3.89Å; Y10-R128 HydrophobicContact CD1-CB 4Å; Y10-R128 HydrophobicContact CD1-CG 4.12Å; Y10-R128 HydrophobicContact CD2-CG 4.44Å; Y10-R128 HydrophobicContact CE1-CB 3.48Å; Y10-R128 VanDerWaalsContact CE1-CB 3.48Å; Y10-R128 HydrophobicContact CE1-CG 3.69Å; Y10-R128 HydrophobicContact CE2-CG 4.02Å; Y10-R128 HydrophobicContact CG-CG 4.48Å; V124-R128 PolarHBondContact O-N 3.35Å; Q125-R128 WeakPolarHBondContact O-CB 3.37Å; Q125-R128 PolarHBondContact O-N 3.44Å; R126-R128 PolarHBondContact O-N 3.03Å; R128-Y132 PolarHBondContact O-N 3.5Å; R128-A245 HydrophobicContact CG-CB 4.2Å; R128-F248 HydrophobicContact CG-CE2 4.47Å |
| 129 | N | 91.9 | Very high | 94 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 13% | 0.128 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.2 | -45.6 | 179.2 | -74.5 | -44.3 | 0 | 0 | 0 | 111.4 | R126 Q127 Y132 Q133 N244 A245 F248 | R126-N129 WeakPolarHBondContact O-CB 3.32Å; R126-N129 PolarHBondContact O-N 3.02Å; Q127-N129 VanDerWaalsContact C-N 3.25Å; Q127-N129 PolarHBondContact O-N 3.47Å; N129-Y132 WeakPolarHBondContact O-CB 3.36Å; N129-Y132 PolarHBondContact O-N 2.78Å; N129-Q133 WeakPolarHBondContact O-CG 3.33Å; N129-Q133 PolarHBondContact O-N 3.49Å; N129-N244 VanDerWaalsContact OD1-CB 3.28Å; N129-N244 WeakPolarHBondContact OD1-CB 3.23Å; N129-A245 PolarHBondContact OD1-N 3.32Å; N129-F248 VanDerWaalsContact OD1-CD2 3.26Å; N129-F248 WeakPolarHBondContact OD1-CD2 3.31Å; N129-F248 WeakPolarHBondContact OD1-CE2 3.45Å |
| 130 | F | 93.5 | Very high | 93.8 | Very high | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 177.9 | -179.5 | -95.7 | 0 | 0 | 0 | 111.7 | R126 Q127 Y132 Q133 V134 Y171 D174 I175 H178 | R126-F130 PolarHBondContact O-N 3.42Å; Q127-F130 PolarHBondContact O-N 2.57Å; F130-Y132 PolarHBondContact O-N 3.36Å; F130-Y132 VanDerWaalsContact O-N 3.17Å; F130-Q133 WeakPolarHBondContact O-CB 3.35Å; F130-Q133 PolarHBondContact O-N 3.13Å; F130-V134 HydrophobicContact CD1-CG2 4.4Å; F130-V134 HydrophobicContact CE1-CG1 4.3Å; F130-V134 HydrophobicContact CE1-CG2 4.12Å; F130-V134 HydrophobicContact CE2-CG1 4.44Å; F130-V134 HydrophobicContact CZ-CG1 4.05Å; F130-V134 PolarHBondContact O-N 3.13Å; F130-Y171 HydrophobicContact CD2-CD1 4.08Å; F130-Y171 AromaticContact CD2-CE1 3.85Å; F130-Y171 HydrophobicContact CD2-CE1 3.85Å; F130-Y171 AromaticContact CE2-CD1 3.83Å; F130-Y171 HydrophobicContact CE2-CD1 3.83Å; F130-Y171 HydrophobicContact CE2-CE1 4.05Å; F130-D174 HydrophobicContact CE2-CB 4.06Å; F130-D174 WeakPolarHBondContact CE2-OD2 3.48Å; F130-D174 HydrophobicContact CZ-CB 4.42Å; F130-I175 HydrophobicContact CE1-CD1 3.79Å; F130-I175 HydrophobicContact CZ-CB 4.22Å; F130-I175 HydrophobicContact CZ-CD1 4.19Å; F130-H178 AromaticContact CD1-CE1 3.67Å; F130-H178 AromaticContact CD1-ND1 3.62Å; F130-H178 AromaticContact CD2-CE1 3.7Å; F130-H178 AromaticContact CE1-CE1 3.56Å; F130-H178 AromaticContact CE1-CG 3.98Å; F130-H178 AromaticContact CE1-ND1 3.22Å; F130-H178 WeakPolarHBondContact CE1-ND1 3.31Å; F130-H178 AromaticContact CE2-CE1 3.61Å; F130-H178 AromaticContact CE2-NE2 3.95Å; F130-H178 AromaticContact CG-CE1 3.74Å; F130-H178 AromaticContact CZ-CE1 3.53Å; F130-H178 AromaticContact CZ-CG 3.9Å; F130-H178 AromaticContact CZ-ND1 3.47Å; F130-H178 WeakPolarHBondContact CZ-ND1 3.47Å |
| 131 | N | 93.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53 | -39.6 | 177.4 | -76.7 | -19.6 | 0 | 0 | 0 | 112.4 | Y10 W46 Q127 S135 | Y10-N131 PolarHBondContact OH-ND2 3.46Å; W46-N131 WeakPolarHBondContact CH2-ND2 3.29Å; Q127-N131 WeakPolarHBondContact O-CB 3.43Å; Q127-N131 VanDerWaalsContact O-CG 3.24Å; Q127-N131 PolarHBondContact O-N 3.26Å; Q127-N131 PolarHBondContact O-ND2 2.9Å; N131-S135 WeakPolarHBondContact O-CB 3.27Å; N131-S135 PolarHBondContact O-N 3.02Å |
| 132 | Y | 93.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.1 | 176.7 | -106.6 | 0 | 0 | 0 | 113.1 | R128 N129 F130 V134 S135 R241 H243 A245 P246 D530 | R128-Y132 PolarHBondContact O-N 3.5Å; N129-Y132 WeakPolarHBondContact O-CB 3.36Å; N129-Y132 PolarHBondContact O-N 2.78Å; F130-Y132 PolarHBondContact O-N 3.36Å; F130-Y132 VanDerWaalsContact O-N 3.17Å; Y132-V134 VanDerWaalsContact C-N 3.3Å; Y132-V134 PolarHBondContact O-N 3.09Å; Y132-S135 WeakPolarHBondContact O-CB 3.42Å; Y132-S135 PolarHBondContact O-N 2.64Å; Y132-S135 PolarHBondContact O-OG 3.08Å; Y132-R241 PolarHBondContact O-NH1 3.14Å; Y132-R241 VanDerWaalsContact OH-CZ 3.32Å; Y132-R241 PolarHBondContact OH-NH2 2.89Å; Y132-R241 VanDerWaalsContact OH-NH2 3.08Å; Y132-H243 AromaticContact CE1-CE1 3.52Å; Y132-H243 AromaticContact CE1-ND1 3.74Å; Y132-H243 AromaticContact CZ-CE1 3.54Å; Y132-H243 PolarHBondContact OH-CE1 2.69Å; Y132-A245 HydrophobicContact CG-CB 4.12Å; Y132-P246 VanDerWaalsContact CD2-CD 3.45Å; Y132-P246 HydrophobicContact CD2-CG 4.26Å; Y132-P246 HydrophobicContact CE2-CG 3.73Å; Y132-D530 VanDerWaalsContact CE2-OD1 3.27Å; Y132-D530 WeakPolarHBondContact CE2-OD1 3.47Å; Y132-D530 PolarHBondContact OH-OD1 2.96Å |
| 133 | Q | 94.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -34.1 | -178.6 | -57.3 | -59.7 | -39.3 | 0 | 0 | 112.3 | N129 F130 Y171 F240 R241 H243 | N129-Q133 WeakPolarHBondContact O-CG 3.33Å; N129-Q133 PolarHBondContact O-N 3.49Å; F130-Q133 WeakPolarHBondContact O-CB 3.35Å; F130-Q133 PolarHBondContact O-N 3.13Å; Q133-Y171 HydrophobicContact CB-CD1 3.63Å; Q133-Y171 HydrophobicContact CB-CD2 4.17Å; Q133-Y171 HydrophobicContact CB-CE1 3.44Å; Q133-Y171 VanDerWaalsContact CB-CE1 3.44Å; Q133-Y171 HydrophobicContact CB-CE2 4.01Å; Q133-Y171 HydrophobicContact CB-CG 4.01Å; Q133-Y171 HydrophobicContact CG-CD1 4.35Å; Q133-Y171 HydrophobicContact CG-CE1 3.65Å; Q133-Y171 HydrophobicContact CG-CE2 4.04Å; Q133-Y171 VanDerWaalsContact CG-CZ 3.48Å; Q133-F240 HydrophobicContact CG-CD2 4.48Å; Q133-R241 VanDerWaalsContact OE1-CB 3.32Å; Q133-R241 VanDerWaalsContact OE1-CG 3.31Å; Q133-H243 PolarHBondContact NE2-O 3.06Å |
| 134 | V | 94.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 28 Ų | 28 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 13.8 | -179.8 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | F130 Y132 L136 Y139 Y171 I175 | F130-V134 HydrophobicContact CD1-CG2 4.4Å; F130-V134 HydrophobicContact CE1-CG1 4.3Å; F130-V134 HydrophobicContact CE1-CG2 4.12Å; F130-V134 HydrophobicContact CE2-CG1 4.44Å; F130-V134 HydrophobicContact CZ-CG1 4.05Å; F130-V134 PolarHBondContact O-N 3.13Å; Y132-V134 VanDerWaalsContact C-N 3.3Å; Y132-V134 PolarHBondContact O-N 3.09Å; V134-L136 PolarHBondContact O-N 2.86Å; V134-Y139 HydrophobicContact CB-CD1 4.1Å; V134-Y139 HydrophobicContact CB-CD2 4.36Å; V134-Y139 HydrophobicContact CB-CE1 3.98Å; V134-Y139 HydrophobicContact CB-CE2 4.27Å; V134-Y139 HydrophobicContact CB-CG 4.28Å; V134-Y139 HydrophobicContact CG1-CD1 4.42Å; V134-Y139 HydrophobicContact CG1-CE1 3.85Å; V134-Y139 WeakPolarHBondContact O-CD2 3.39Å; V134-Y171 HydrophobicContact CG1-CD1 4.06Å; V134-Y171 HydrophobicContact CG1-CG 4.48Å; V134-I175 HydrophobicContact CG1-CB 4.24Å; V134-I175 HydrophobicContact CG2-CD1 4.29Å |
| 135 | S | 92.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | trans | -81.2 | -12.6 | -171.2 | 65.3 | 0 | 0 | 0 | 0 | 116 | M1 N131 Y132 R241 | M1-S135 WeakPolarHBondContact SD-CB 3.43Å; N131-S135 WeakPolarHBondContact O-CB 3.27Å; N131-S135 PolarHBondContact O-N 3.02Å; Y132-S135 WeakPolarHBondContact O-CB 3.42Å; Y132-S135 PolarHBondContact O-N 2.64Å; Y132-S135 PolarHBondContact O-OG 3.08Å; S135-R241 PolarHBondContact OG-NH1 3.2Å | ||
| 136 | L | 93.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -74.5 | 148.5 | -174.1 | -72.8 | 175.8 | 0 | 0 | 0 | 111.6 | V134 H138 Y139 S496 L497 I533 L568 | V134-L136 PolarHBondContact O-N 2.86Å; L136-H138 VanDerWaalsContact CB-CE1 3.48Å; L136-H138 WeakPolarHBondContact CB-CE1 3.39Å; L136-H138 WeakPolarHBondContact CB-ND1 3.41Å; L136-H138 PolarHBondContact O-N 3Å; L136-Y139 PolarHBondContact O-N 2.7Å; L136-Y139 VanDerWaalsContact O-N 3.14Å; L136-S496 WeakPolarHBondContact CD1-O 3.4Å; L136-L497 HydrophobicContact CD1-CD2 4.17Å; L136-I533 HydrophobicContact CD2-CD1 3.84Å; L136-L568 HydrophobicContact CD2-CD1 4.49Å |
| 137 | P | 92.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 18% | 0.175 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -58.3 | -23.9 | -168.6 | -30.2 | 38.4 | 0 | 0 | 0 | 116 | Y139 T140 L511 L568 | P137-Y139 PolarHBondContact O-N 2.67Å; P137-T140 WeakPolarHBondContact O-CB 3.46Å; P137-T140 PolarHBondContact O-N 2.92Å; P137-T140 PolarHBondContact O-OG1 2.9Å; P137-L511 HydrophobicContact CB-CD2 3.4Å; P137-L511 VanDerWaalsContact CB-CD2 3.4Å; P137-L568 HydrophobicContact CG-CD2 3.89Å |
| 138 | H | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -66.4 | -20.1 | -179.8 | 63.2 | -83.2 | 0 | 0 | 0 | 114.2 | L136 T140 S141 F144 G237 S496 P498 L503 | L136-H138 VanDerWaalsContact CB-CE1 3.48Å; L136-H138 WeakPolarHBondContact CB-CE1 3.39Å; L136-H138 WeakPolarHBondContact CB-ND1 3.41Å; L136-H138 PolarHBondContact O-N 3Å; H138-T140 PolarHBondContact O-N 3.39Å; H138-T140 VanDerWaalsContact O-N 3.08Å; H138-S141 WeakPolarHBondContact O-CB 3.5Å; H138-S141 PolarHBondContact O-N 3.03Å; H138-F144 AromaticContact CD2-CE1 3.68Å; H138-F144 AromaticContact CD2-CE2 3.65Å; H138-F144 AromaticContact CD2-CZ 3.44Å; H138-F144 VanDerWaalsContact CD2-CZ 3.44Å; H138-F144 WeakPolarHBondContact CD2-CZ 3.43Å; H138-F144 AromaticContact NE2-CZ 3.88Å; H138-G237 PolarHBondContact NE2-O 3.35Å; H138-S496 PolarHBondContact CE1-O 3.37Å; H138-P498 HydrophobicContact CB-CB 4.45Å; H138-P498 HydrophobicContact CB-CG 3.65Å; H138-L503 HydrophobicContact CB-CD2 3.76Å |
| 139 | Y | 95 | Very high | 94.9 | Very high | 22 Ų | 22 | 31 Ų | 31 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -67.1 | -1.4 | 169.4 | -76 | -87.9 | 0 | 0 | 0 | 113.5 | V134 L136 P137 F144 L145 Y171 I175 G237 | V134-Y139 HydrophobicContact CB-CD1 4.1Å; V134-Y139 HydrophobicContact CB-CD2 4.36Å; V134-Y139 HydrophobicContact CB-CE1 3.98Å; V134-Y139 HydrophobicContact CB-CE2 4.27Å; V134-Y139 HydrophobicContact CB-CG 4.28Å; V134-Y139 HydrophobicContact CG1-CD1 4.42Å; V134-Y139 HydrophobicContact CG1-CE1 3.85Å; V134-Y139 WeakPolarHBondContact O-CD2 3.39Å; L136-Y139 PolarHBondContact O-N 2.7Å; L136-Y139 VanDerWaalsContact O-N 3.14Å; P137-Y139 PolarHBondContact O-N 2.67Å; Y139-F144 HydrophobicContact CD1-CE1 4.11Å; Y139-F144 HydrophobicContact CE1-CE1 4.05Å; Y139-F144 HydrophobicContact CG-CE1 4.5Å; Y139-L145 WeakPolarHBondContact O-CD1 3.41Å; Y139-Y171 VanDerWaalsContact OH-CB 3.27Å; Y139-Y171 WeakPolarHBondContact OH-CB 3.23Å; Y139-I175 HydrophobicContact CD1-CG2 3.98Å; Y139-I175 HydrophobicContact CE1-CG2 3.92Å; Y139-G237 PolarHBondContact OH-O 3.15Å |
| 140 | T | 90.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 64% | 0.638 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -101.4 | -6 | 170.9 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | P137 H138 | P137-T140 WeakPolarHBondContact O-CB 3.46Å; P137-T140 PolarHBondContact O-N 2.92Å; P137-T140 PolarHBondContact O-OG1 2.9Å; H138-T140 PolarHBondContact O-N 3.39Å; H138-T140 VanDerWaalsContact O-N 3.08Å |
| 141 | S | 95 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -75.9 | 125.3 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 110.2 | H138 K143 F144 L145 D504 | H138-S141 WeakPolarHBondContact O-CB 3.5Å; H138-S141 PolarHBondContact O-N 3.03Å; S141-K143 VanDerWaalsContact C-N 3.33Å; S141-K143 PolarHBondContact O-N 3.19Å; S141-F144 PolarHBondContact O-N 3.3Å; S141-F144 PolarHBondContact OG-N 3.39Å; S141-L145 WeakPolarHBondContact O-CG 3.35Å; S141-L145 PolarHBondContact O-N 2.94Å; S141-D504 WeakPolarHBondContact CA-OD2 3.45Å; S141-D504 WeakPolarHBondContact CB-OD2 3.41Å; S141-D504 PolarHBondContact OG-N 3.5Å; S141-D504 PolarHBondContact OG-OD2 3.19Å | ||
| 142 | A | 95.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 34 Ų | 34 | 57% | 0.57 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.9 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | L145 S146 D504 | A142-L145 PolarHBondContact O-N 2.88Å; A142-S146 WeakPolarHBondContact O-CB 3.36Å; A142-S146 PolarHBondContact O-N 3.05Å; A142-D504 PolarHBondContact N-OD2 3.03Å |
| 143 | K | 96.2 | Very high | 95.8 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.5 | -49.6 | 173.8 | -174.8 | -179.7 | -171.4 | -177.8 | 0 | 111.9 | S141 L145 S146 D147 D501 L503 D504 | S141-K143 VanDerWaalsContact C-N 3.33Å; S141-K143 PolarHBondContact O-N 3.19Å; K143-L145 PolarHBondContact O-N 3.47Å; K143-S146 PolarHBondContact O-N 3.03Å; K143-D147 PolarHBondContact O-N 3.45Å; K143-D501 VanDerWaalsContact CE-O 3.27Å; K143-D501 WeakPolarHBondContact CE-O 3.37Å; K143-D501 PolarHBondContact NZ-O 3.45Å; K143-L503 WeakPolarHBondContact CD-O 3.38Å; K143-D504 WeakPolarHBondContact CB-OD1 3.3Å; K143-D504 PolarHBondContact N-OD1 2.9Å; K143-D504 PolarHBondContact N-OD2 3.32Å |
| 144 | F | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | -179.5 | -176.9 | -92.5 | 0 | 0 | 0 | 111.9 | H138 Y139 S141 D147 A148 D172 C238 P498 Q502 | H138-F144 AromaticContact CD2-CE1 3.68Å; H138-F144 AromaticContact CD2-CE2 3.65Å; H138-F144 AromaticContact CD2-CZ 3.44Å; H138-F144 VanDerWaalsContact CD2-CZ 3.44Å; H138-F144 WeakPolarHBondContact CD2-CZ 3.43Å; H138-F144 AromaticContact NE2-CZ 3.88Å; Y139-F144 HydrophobicContact CD1-CE1 4.11Å; Y139-F144 HydrophobicContact CE1-CE1 4.05Å; Y139-F144 HydrophobicContact CG-CE1 4.5Å; S141-F144 PolarHBondContact O-N 3.3Å; S141-F144 PolarHBondContact OG-N 3.39Å; F144-D147 PolarHBondContact O-N 2.94Å; F144-A148 PolarHBondContact O-N 2.78Å; F144-A148 VanDerWaalsContact O-N 3.16Å; F144-D172 HydrophobicContact CE1-CB 4.01Å; F144-D172 HydrophobicContact CZ-CB 3.98Å; F144-C238 VanDerWaalsContact CZ-SG 3.52Å; F144-P498 HydrophobicContact CD2-CB 4.48Å; F144-P498 HydrophobicContact CE2-CB 4.37Å; F144-Q502 HydrophobicContact CD2-CB 4.29Å |
| 145 | L | 97.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69 | -36.2 | 179.6 | -68.3 | 177.6 | 0 | 0 | 0 | 113 | Y139 S141 A142 K143 D147 A148 V149 I176 | Y139-L145 WeakPolarHBondContact O-CD1 3.41Å; S141-L145 WeakPolarHBondContact O-CG 3.35Å; S141-L145 PolarHBondContact O-N 2.94Å; A142-L145 PolarHBondContact O-N 2.88Å; K143-L145 PolarHBondContact O-N 3.47Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.82Å; L145-A148 WeakPolarHBondContact O-CB 3.45Å; L145-A148 PolarHBondContact O-N 3.12Å; L145-A148 VanDerWaalsContact O-N 3.12Å; L145-V149 WeakPolarHBondContact O-CG2 3.3Å; L145-V149 PolarHBondContact O-N 2.97Å; L145-I176 HydrophobicContact CD2-CD1 4.33Å |
| 146 | S | 97.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | A142 K143 A148 V149 K150 | A142-S146 WeakPolarHBondContact O-CB 3.36Å; A142-S146 PolarHBondContact O-N 3.05Å; K143-S146 PolarHBondContact O-N 3.03Å; S146-A148 VanDerWaalsContact C-N 3.33Å; S146-V149 PolarHBondContact O-N 2.79Å; S146-K150 PolarHBondContact O-N 2.68Å |
| 147 | D | 96.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 43 Ų | 43 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.7 | -33.9 | 174.4 | -70.5 | -22.4 | 0 | 0 | 0 | 112.1 | K143 F144 L145 V149 K150 R151 R235 | K143-D147 PolarHBondContact O-N 3.45Å; F144-D147 PolarHBondContact O-N 2.94Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.82Å; D147-V149 VanDerWaalsContact C-N 3.32Å; D147-V149 PolarHBondContact O-N 2.87Å; D147-K150 WeakPolarHBondContact O-CB 3.36Å; D147-K150 PolarHBondContact O-N 2.85Å; D147-K150 IonicContact OD1-NZ 3.4Å; D147-K150 PolarHBondContact OD1-NZ 2.76Å; D147-R151 PolarHBondContact O-N 2.89Å; D147-R235 VanDerWaalsContact CB-NH2 3.27Å; D147-R235 IonicContact OD2-NH2 2.72Å |
| 148 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F144 L145 S146 K150 R151 Y152 D172 F173 I176 | F144-A148 PolarHBondContact O-N 2.78Å; F144-A148 VanDerWaalsContact O-N 3.16Å; L145-A148 WeakPolarHBondContact O-CB 3.45Å; L145-A148 PolarHBondContact O-N 3.12Å; L145-A148 VanDerWaalsContact O-N 3.12Å; S146-A148 VanDerWaalsContact C-N 3.33Å; A148-K150 VanDerWaalsContact C-N 3.35Å; A148-K150 PolarHBondContact O-N 2.88Å; A148-R151 PolarHBondContact O-N 2.88Å; A148-Y152 PolarHBondContact O-N 2.75Å; A148-D172 HydrophobicContact CB-CB 3.93Å; A148-D172 VanDerWaalsContact CB-O 3.31Å; A148-D172 WeakPolarHBondContact CB-O 3.38Å; A148-F173 WeakPolarHBondContact O-CB 3.21Å; A148-I176 HydrophobicContact CB-CD1 4.45Å; A148-I176 HydrophobicContact CB-CG1 3.95Å |
| 149 | V | 98.4 | Very high | 96.8 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 38% | 0.382 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.5 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L145 S146 D147 R151 Y152 I153 I176 | L145-V149 WeakPolarHBondContact O-CG2 3.3Å; L145-V149 PolarHBondContact O-N 2.97Å; S146-V149 PolarHBondContact O-N 2.79Å; D147-V149 VanDerWaalsContact C-N 3.32Å; D147-V149 PolarHBondContact O-N 2.87Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 2.96Å; V149-Y152 WeakPolarHBondContact O-CB 3.35Å; V149-Y152 PolarHBondContact O-N 3.48Å; V149-I153 HydrophobicContact CG1-CD1 4.41Å; V149-I153 WeakPolarHBondContact O-CG1 3.49Å; V149-I153 PolarHBondContact O-N 3.23Å; V149-I153 VanDerWaalsContact O-N 3.09Å; V149-I176 HydrophobicContact CG2-CD1 3.91Å; V149-I176 HydrophobicContact CG2-CG1 4.16Å; V149-I176 HydrophobicContact CG2-CG2 4Å |
| 150 | K | 97.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 48% | 0.478 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.6 | -60.9 | 171.7 | -168.5 | 157.6 | 0 | 111.3 | S146 D147 A148 Y152 I153 Q154 | S146-K150 PolarHBondContact O-N 2.68Å; D147-K150 WeakPolarHBondContact O-CB 3.36Å; D147-K150 PolarHBondContact O-N 2.85Å; D147-K150 IonicContact OD1-NZ 3.4Å; D147-K150 PolarHBondContact OD1-NZ 2.76Å; A148-K150 VanDerWaalsContact C-N 3.35Å; A148-K150 PolarHBondContact O-N 2.88Å; K150-Y152 VanDerWaalsContact C-N 3.34Å; K150-Y152 PolarHBondContact O-N 2.87Å; K150-I153 WeakPolarHBondContact O-CB 3.49Å; K150-I153 PolarHBondContact O-N 3.24Å; K150-Q154 PolarHBondContact O-N 3.41Å; K150-Q154 VanDerWaalsContact O-N 3.13Å |
| 151 | R | 98 | Very high | 97.1 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -33.4 | 177.6 | -67.8 | 170.5 | 58.3 | 80.1 | 3.6 | 112.7 | D147 A148 V149 Q154 F155 D172 F173 W225 P232 F233 | D147-R151 PolarHBondContact O-N 2.89Å; A148-R151 PolarHBondContact O-N 2.88Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 2.96Å; R151-Q154 WeakPolarHBondContact O-CB 3.46Å; R151-Q154 PolarHBondContact O-N 2.94Å; R151-F155 PolarHBondContact O-N 3.5Å; R151-D172 WeakPolarHBondContact CD-OD2 3.34Å; R151-D172 IonicContact NE-OD1 2.88Å; R151-D172 IonicContact NE-OD2 2.71Å; R151-D172 PolarHBondContact NE-OD2 3.33Å; R151-F173 HydrophobicContact CB-CB 4.13Å; R151-F173 HydrophobicContact CB-CD1 3.81Å; R151-F173 HydrophobicContact CB-CG 4.26Å; R151-W225 HydrophobicContact CB-CH2 3.98Å; R151-W225 HydrophobicContact CB-CZ2 4.3Å; R151-W225 HydrophobicContact CG-CH2 4.35Å; R151-W225 HydrophobicContact CG-CZ2 4.17Å; R151-W225 WeakPolarHBondContact O-CH2 3.45Å; R151-P232 PolarHBondContact NH1-O 2.93Å; R151-F233 PolarHBondContact NH2-O 3.49Å |
| 152 | Y | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 171.3 | 176.9 | -122.1 | 0 | 0 | 0 | 111.9 | A148 V149 K150 Q154 F155 L156 I176 W177 H180 | A148-Y152 PolarHBondContact O-N 2.75Å; V149-Y152 WeakPolarHBondContact O-CB 3.35Å; V149-Y152 PolarHBondContact O-N 3.48Å; K150-Y152 VanDerWaalsContact C-N 3.34Å; K150-Y152 PolarHBondContact O-N 2.87Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 3.47Å; Y152-F155 HydrophobicContact CD2-CD1 4.45Å; Y152-F155 WeakPolarHBondContact O-CB 3.35Å; Y152-F155 PolarHBondContact O-N 2.89Å; Y152-F155 VanDerWaalsContact O-N 3.15Å; Y152-L156 HydrophobicContact CD1-CD1 4.29Å; Y152-L156 HydrophobicContact CD2-CG 4.45Å; Y152-L156 HydrophobicContact CE1-CD1 3.75Å; Y152-L156 HydrophobicContact CE1-CG 4.3Å; Y152-L156 HydrophobicContact CE2-CD1 4.33Å; Y152-L156 HydrophobicContact CE2-CD2 3.83Å; Y152-L156 HydrophobicContact CE2-CG 3.99Å; Y152-L156 WeakPolarHBondContact O-CG 3.38Å; Y152-L156 PolarHBondContact O-N 3.38Å; Y152-I176 HydrophobicContact CD1-CG2 3.63Å; Y152-I176 HydrophobicContact CE1-CG2 4.35Å; Y152-I176 HydrophobicContact CG-CB 4.26Å; Y152-I176 HydrophobicContact CG-CG2 3.82Å; Y152-W177 HydrophobicContact CD2-CB 3.94Å; Y152-W177 HydrophobicContact CD2-CG 4.46Å; Y152-W177 HydrophobicContact CE2-CB 3.48Å; Y152-W177 VanDerWaalsContact CE2-CB 3.48Å; Y152-W177 AromaticContact CE2-CD1 3.69Å; Y152-W177 HydrophobicContact CE2-CD2 4.48Å; Y152-W177 AromaticContact CE2-CG 3.6Å; Y152-W177 HydrophobicContact CE2-CG 3.6Å; Y152-W177 AromaticContact CZ-CD1 3.91Å; Y152-H180 HydrophobicContact CE1-CB 4.29Å; Y152-H180 AromaticContact CE1-ND1 3.68Å; Y152-H180 AromaticContact CZ-ND1 3.72Å; Y152-H180 PolarHBondContact OH-ND1 3.34Å |
| 153 | I | 97.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 49 Ų | 49 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.2 | -64.3 | 165.4 | 0 | 0 | 0 | 110.9 | V149 K150 F155 L156 L157 | V149-I153 HydrophobicContact CG1-CD1 4.41Å; V149-I153 WeakPolarHBondContact O-CG1 3.49Å; V149-I153 PolarHBondContact O-N 3.23Å; V149-I153 VanDerWaalsContact O-N 3.09Å; K150-I153 WeakPolarHBondContact O-CB 3.49Å; K150-I153 PolarHBondContact O-N 3.24Å; I153-F155 VanDerWaalsContact C-N 3.31Å; I153-F155 PolarHBondContact O-N 2.86Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L157 PolarHBondContact O-N 3.13Å |
| 154 | Q | 97.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -42 | 173.6 | -72.5 | 168.7 | -33.2 | 0 | 0 | 111.9 | K150 R151 Y152 L157 L158 W225 F229 | K150-Q154 PolarHBondContact O-N 3.41Å; K150-Q154 VanDerWaalsContact O-N 3.13Å; R151-Q154 WeakPolarHBondContact O-CB 3.46Å; R151-Q154 PolarHBondContact O-N 2.94Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 3.47Å; Q154-L157 WeakPolarHBondContact O-CB 3.28Å; Q154-L157 PolarHBondContact O-N 3.23Å; Q154-L158 PolarHBondContact O-N 3.22Å; Q154-L158 VanDerWaalsContact O-N 3.08Å; Q154-W225 HydrophobicContact CB-CH2 3.87Å; Q154-W225 HydrophobicContact CB-CZ2 4.24Å; Q154-W225 HydrophobicContact CB-CZ3 4.39Å; Q154-F229 HydrophobicContact CB-CD1 4.48Å; Q154-F229 HydrophobicContact CB-CD2 4.24Å; Q154-F229 HydrophobicContact CB-CE1 4Å; Q154-F229 HydrophobicContact CB-CE2 3.71Å; Q154-F229 HydrophobicContact CB-CZ 3.58Å; Q154-F229 HydrophobicContact CG-CD1 4.02Å; Q154-F229 HydrophobicContact CG-CD2 4.48Å; Q154-F229 HydrophobicContact CG-CE1 3.8Å; Q154-F229 HydrophobicContact CG-CE2 4.28Å; Q154-F229 HydrophobicContact CG-CG 4.36Å; Q154-F229 HydrophobicContact CG-CZ 3.95Å; Q154-F229 WeakPolarHBondContact O-CZ 3.43Å |
| 155 | F | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.6 | 177.7 | -105 | 0 | 0 | 0 | 112.7 | R151 Y152 I153 L157 L158 K159 L167 P169 F173 W177 W225 | R151-F155 PolarHBondContact O-N 3.5Å; Y152-F155 HydrophobicContact CD2-CD1 4.45Å; Y152-F155 WeakPolarHBondContact O-CB 3.35Å; Y152-F155 PolarHBondContact O-N 2.89Å; Y152-F155 VanDerWaalsContact O-N 3.15Å; I153-F155 VanDerWaalsContact C-N 3.31Å; I153-F155 PolarHBondContact O-N 2.86Å; F155-L157 VanDerWaalsContact C-N 3.3Å; F155-L157 PolarHBondContact O-N 3.45Å; F155-L158 PolarHBondContact O-N 3.42Å; F155-K159 HydrophobicContact CE1-CG 4.12Å; F155-K159 HydrophobicContact CZ-CG 4.11Å; F155-K159 PolarHBondContact O-N 3.09Å; F155-L167 HydrophobicContact CE2-CB 3.78Å; F155-L167 HydrophobicContact CZ-CB 4.4Å; F155-P169 HydrophobicContact CE2-CB 4.39Å; F155-P169 HydrophobicContact CZ-CB 4.45Å; F155-F173 HydrophobicContact CB-CD2 4.02Å; F155-F173 HydrophobicContact CB-CE2 3.81Å; F155-F173 HydrophobicContact CD1-CE2 4.44Å; F155-F173 AromaticContact CD2-CE2 3.68Å; F155-F173 HydrophobicContact CD2-CE2 3.68Å; F155-F173 HydrophobicContact CD2-CZ 4.39Å; F155-F173 HydrophobicContact CE2-CE2 4.33Å; F155-F173 HydrophobicContact CG-CD2 4.15Å; F155-F173 AromaticContact CG-CE2 3.73Å; F155-F173 HydrophobicContact CG-CE2 3.73Å; F155-W177 HydrophobicContact CE1-CD2 4.24Å; F155-W177 AromaticContact CE1-CE3 3.81Å; F155-W177 HydrophobicContact CE1-CE3 3.81Å; F155-W177 HydrophobicContact CE1-CH2 4.11Å; F155-W177 AromaticContact CE1-CZ3 3.73Å; F155-W177 HydrophobicContact CE1-CZ3 3.73Å; F155-W177 HydrophobicContact CZ-CE3 4.32Å; F155-W177 HydrophobicContact CZ-CH2 4.33Å; F155-W177 AromaticContact CZ-CZ3 3.88Å; F155-W177 HydrophobicContact CZ-CZ3 3.88Å; F155-W225 HydrophobicContact CB-CZ3 4.42Å |
| 156 | L | 97.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 174 | -64.3 | 177.7 | 0 | 0 | 0 | 111.8 | Y152 I153 K159 Q160 I194 F195 L199 | Y152-L156 HydrophobicContact CD1-CD1 4.29Å; Y152-L156 HydrophobicContact CD2-CG 4.45Å; Y152-L156 HydrophobicContact CE1-CD1 3.75Å; Y152-L156 HydrophobicContact CE1-CG 4.3Å; Y152-L156 HydrophobicContact CE2-CD1 4.33Å; Y152-L156 HydrophobicContact CE2-CD2 3.83Å; Y152-L156 HydrophobicContact CE2-CG 3.99Å; Y152-L156 WeakPolarHBondContact O-CG 3.38Å; Y152-L156 PolarHBondContact O-N 3.38Å; I153-L156 PolarHBondContact O-N 3.46Å; L156-K159 PolarHBondContact O-N 2.96Å; L156-Q160 PolarHBondContact O-N 3.15Å; L156-I194 HydrophobicContact CD1-CD1 4.17Å; L156-F195 HydrophobicContact CB-CZ 4.19Å; L156-F195 HydrophobicContact CD2-CE2 4.18Å; L156-F195 HydrophobicContact CD2-CZ 3.78Å; L156-L199 HydrophobicContact CD2-CD2 4.21Å |
| 157 | L | 97.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.9 | -133.7 | 74 | 0 | 0 | 0 | 112.1 | I153 Q154 F155 K159 Q160 T161 F229 | I153-L157 PolarHBondContact O-N 3.13Å; Q154-L157 WeakPolarHBondContact O-CB 3.28Å; Q154-L157 PolarHBondContact O-N 3.23Å; F155-L157 VanDerWaalsContact C-N 3.3Å; F155-L157 PolarHBondContact O-N 3.45Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-Q160 PolarHBondContact O-N 3.38Å; L157-T161 PolarHBondContact O-N 3.03Å; L157-T161 VanDerWaalsContact O-N 3.07Å; L157-T161 PolarHBondContact O-OG1 3.43Å; L157-F229 HydrophobicContact CD2-CE1 4.46Å |
| 158 | L | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 173.2 | -67.9 | -176.4 | 0 | 0 | 0 | 111.3 | Q154 F155 Q160 T161 Y162 L167 L224 W225 H228 F229 | Q154-L158 PolarHBondContact O-N 3.22Å; Q154-L158 VanDerWaalsContact O-N 3.08Å; F155-L158 PolarHBondContact O-N 3.42Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 2.87Å; L158-T161 PolarHBondContact O-N 3.04Å; L158-Y162 HydrophobicContact CD2-CD2 4.44Å; L158-Y162 HydrophobicContact CD2-CE2 4.25Å; L158-Y162 WeakPolarHBondContact O-CB 3.19Å; L158-Y162 WeakPolarHBondContact O-CD2 3.39Å; L158-Y162 PolarHBondContact O-N 2.83Å; L158-L167 HydrophobicContact CB-CD1 3.83Å; L158-L224 HydrophobicContact CD1-CB 4.26Å; L158-L224 HydrophobicContact CD2-CB 4.18Å; L158-W225 HydrophobicContact CD1-CE3 3.98Å; L158-H228 HydrophobicContact CD2-CB 4.1Å; L158-F229 HydrophobicContact CD1-CE2 3.93Å; L158-F229 HydrophobicContact CD2-CE2 3.94Å; L158-F229 HydrophobicContact CD2-CZ 4.18Å; L158-F229 HydrophobicContact CG-CE2 3.75Å; L158-F229 HydrophobicContact CG-CZ 4.11Å |
| 159 | K | 96.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 54 Ų | 54 | 10% | 0.1 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -33.5 | 176.7 | -80.4 | -63.2 | -167.1 | 176.1 | 0 | 113.2 | F155 L156 L157 A163 Q165 L167 F195 | F155-K159 HydrophobicContact CE1-CG 4.12Å; F155-K159 HydrophobicContact CZ-CG 4.11Å; F155-K159 PolarHBondContact O-N 3.09Å; L156-K159 PolarHBondContact O-N 2.96Å; L157-K159 VanDerWaalsContact C-N 3.34Å; K159-A163 WeakPolarHBondContact O-CA 3.45Å; K159-A163 PolarHBondContact O-N 2.92Å; K159-Q165 PolarHBondContact NZ-O 3.22Å; K159-L167 HydrophobicContact CD-CD1 3.97Å; K159-L167 HydrophobicContact CD-CG 4.32Å; K159-L167 HydrophobicContact CG-CD1 4.27Å; K159-F195 HydrophobicContact CB-CE1 3.96Å; K159-F195 HydrophobicContact CB-CZ 4.22Å |
| 160 | Q | 96.1 | Very high | 96 | Very high | 98 Ų | 98 | 51 Ų | 51 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 175.1 | -170.3 | -178.9 | 34.3 | 0 | 0 | 111.1 | L156 L157 L158 I194 F195 | L156-Q160 PolarHBondContact O-N 3.15Å; L157-Q160 PolarHBondContact O-N 3.38Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 2.87Å; Q160-I194 HydrophobicContact CB-CG2 4.33Å; Q160-I194 HydrophobicContact CG-CG2 4.33Å; Q160-I194 PolarHBondContact NE2-O 3.17Å; Q160-F195 HydrophobicContact CB-CD1 4.11Å; Q160-F195 HydrophobicContact CB-CE1 3.88Å; Q160-F195 HydrophobicContact CG-CD1 4.44Å |
| 161 | T | 95.9 | Very high | 96 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -76.8 | -35.3 | -178.1 | -52 | 0 | 0 | 0 | 0 | 112.4 | L157 L158 | L157-T161 PolarHBondContact O-N 3.03Å; L157-T161 VanDerWaalsContact O-N 3.07Å; L157-T161 PolarHBondContact O-OG1 3.43Å; L158-T161 PolarHBondContact O-N 3.04Å |
| 162 | Y | 95.9 | Very high | 96 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -123.7 | 57.4 | -173 | -57 | -75.2 | 0 | 0 | 0 | 111.4 | L158 D164 Q165 L224 H228 | L158-Y162 HydrophobicContact CD2-CD2 4.44Å; L158-Y162 HydrophobicContact CD2-CE2 4.25Å; L158-Y162 WeakPolarHBondContact O-CB 3.19Å; L158-Y162 WeakPolarHBondContact O-CD2 3.39Å; L158-Y162 PolarHBondContact O-N 2.83Å; Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 3.44Å; Y162-Q165 WeakPolarHBondContact O-CB 3.4Å; Y162-Q165 PolarHBondContact O-N 3.32Å; Y162-L224 HydrophobicContact CD2-CD1 3.7Å; Y162-L224 HydrophobicContact CD2-CD2 4.28Å; Y162-L224 HydrophobicContact CE1-CD2 4.11Å; Y162-L224 HydrophobicContact CE2-CD1 4Å; Y162-L224 HydrophobicContact CE2-CD2 3.74Å; Y162-L224 HydrophobicContact CE2-CG 4.31Å; Y162-L224 HydrophobicContact CG-CD1 4Å; Y162-H228 AromaticContact CE2-NE2 3.46Å; Y162-H228 WeakPolarHBondContact CE2-NE2 3.47Å; Y162-H228 AromaticContact CZ-NE2 3.6Å; Y162-H228 PolarHBondContact OH-NE2 2.98Å |
| 163 | A | 89.9 | Confident | 95.9 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 63% | 0.628 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -38.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K159 Q165 | K159-A163 WeakPolarHBondContact O-CA 3.45Å; K159-A163 PolarHBondContact O-N 2.92Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.29Å |
| 164 | D | 90.7 | Very high | 95.9 | Very high | 161 Ų | 161 | 42.3 Ų | 42.3 | 86% | 0.861 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.4 | -177.7 | -59.7 | -43.8 | 0 | 0 | 0 | 114.1 | Y162 | Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 3.44Å |
| 165 | Q | 94.1 | Very high | 95.8 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -89.7 | 135.1 | -174.3 | -60.3 | -59 | -35.8 | 0 | 0 | 112.1 | K159 Y162 A163 L167 L220 | K159-Q165 PolarHBondContact NZ-O 3.22Å; Y162-Q165 WeakPolarHBondContact O-CB 3.4Å; Y162-Q165 PolarHBondContact O-N 3.32Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 3.29Å; Q165-L167 HydrophobicContact CB-CD2 4.05Å; Q165-L167 HydrophobicContact CB-CG 4.46Å; Q165-L167 PolarHBondContact O-N 2.99Å; Q165-L220 HydrophobicContact CB-CD2 3.92Å; Q165-L220 HydrophobicContact CG-CD2 4.17Å |
| 166 | F | 94.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 43.6 Ų | 43.6 | 27% | 0.272 | 23% | 0.231 | S | C | . | . | trans | -78.3 | 112.5 | 168.9 | -178 | -97.3 | 0 | 0 | 0 | 109.4 | T168 V205 K213 L214 G217 | F166-T168 WeakPolarHBondContact CE1-OG1 3.33Å; F166-V205 HydrophobicContact CE1-CG1 4.34Å; F166-V205 HydrophobicContact CE2-CG2 4.33Å; F166-V205 HydrophobicContact CZ-CB 4.17Å; F166-V205 HydrophobicContact CZ-CG1 3.81Å; F166-V205 HydrophobicContact CZ-CG2 4.4Å; F166-K213 HydrophobicContact CD1-CG 3.94Å; F166-K213 HydrophobicContact CE1-CG 4.04Å; F166-K213 HydrophobicContact CG-CG 4.3Å; F166-K213 HydrophobicContact CZ-CG 4.44Å; F166-L214 HydrophobicContact CE1-CD1 4.46Å; F166-L214 HydrophobicContact CZ-CD1 4.35Å; F166-G217 WeakPolarHBondContact O-CA 3.38Å | ||
| 167 | L | 95.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -113.9 | 132.6 | -179.8 | -54 | -177 | 0 | 0 | 0 | 108.8 | F155 L158 K159 Q165 L220 T221 L224 | F155-L167 HydrophobicContact CE2-CB 3.78Å; F155-L167 HydrophobicContact CZ-CB 4.4Å; L158-L167 HydrophobicContact CB-CD1 3.83Å; K159-L167 HydrophobicContact CD-CD1 3.97Å; K159-L167 HydrophobicContact CD-CG 4.32Å; K159-L167 HydrophobicContact CG-CD1 4.27Å; Q165-L167 HydrophobicContact CB-CD2 4.05Å; Q165-L167 HydrophobicContact CB-CG 4.46Å; Q165-L167 PolarHBondContact O-N 2.99Å; L167-L220 HydrophobicContact CD2-CD2 4.04Å; L167-L220 HydrophobicContact CD2-CG 4.05Å; L167-T221 WeakPolarHBondContact CA-OG1 3.46Å; L167-T221 HydrophobicContact CB-CG2 4.33Å; L167-T221 WeakPolarHBondContact CB-OG1 3.49Å; L167-L224 HydrophobicContact CD2-CD1 3.78Å | ||
| 168 | T | 95.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 120.6 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | F166 L214 G217 E218 T221 F233 | F166-T168 WeakPolarHBondContact CE1-OG1 3.33Å; T168-L214 HydrophobicContact CG2-CD1 3.54Å; T168-L214 HydrophobicContact CG2-CG 4.12Å; T168-L214 PolarHBondContact OG1-O 3.06Å; T168-G217 VanDerWaalsContact OG1-C 3.3Å; T168-E218 HydrophobicContact CG2-CB 4.22Å; T168-E218 PolarHBondContact OG1-N 2.86Å; T168-E218 VanDerWaalsContact OG1-N 3.11Å; T168-T221 PolarHBondContact N-OG1 2.85Å; T168-T221 PolarHBondContact O-OG1 2.92Å; T168-F233 WeakPolarHBondContact O-CZ 3.42Å |
| 169 | P | 96.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 161.8 | 179.2 | 32.7 | -36.9 | 0 | 0 | 0 | 113 | F155 F173 D174 W177 | F155-P169 HydrophobicContact CE2-CB 4.39Å; F155-P169 HydrophobicContact CZ-CB 4.45Å; P169-F173 HydrophobicContact CB-CD2 3.68Å; P169-F173 HydrophobicContact CB-CE2 3.18Å; P169-F173 HydrophobicContact CB-CZ 3.94Å; P169-D174 HydrophobicContact CB-CB 3.95Å; P169-D174 HydrophobicContact CG-CB 3.81Å; P169-D174 WeakPolarHBondContact CG-OD1 3.34Å; P169-W177 HydrophobicContact CG-CE3 4.43Å; P169-W177 HydrophobicContact CG-CZ3 4.46Å |
| 170 | C | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -83.5 | 152.9 | 160.4 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | D172 F173 D174 F233 C238 M239 | C170-D172 WeakPolarHBondContact CB-OD1 3.3Å; C170-D172 PolarHBondContact O-N 3.19Å; C170-D172 VanDerWaalsContact O-N 3.14Å; C170-F173 HydrophobicContact CB-CD1 3.93Å; C170-F173 HydrophobicContact CB-CE1 3.45Å; C170-F173 VanDerWaalsContact CB-CE1 3.45Å; C170-F173 HydrophobicContact CB-CZ 4.06Å; C170-F173 PolarHBondContact O-N 3.42Å; C170-D174 VanDerWaalsContact O-CB 3.3Å; C170-D174 WeakPolarHBondContact O-CB 3.45Å; C170-D174 PolarHBondContact O-N 3.47Å; C170-F233 WeakPolarHBondContact SG-CZ 3.23Å; C170-F233 PolarHBondContact SG-O 2.86Å; C170-C238 HydrophobicContact CB-CB 4.3Å; C170-M239 HydrophobicContact CB-SD 4.35Å; C170-M239 VanDerWaalsContact SG-SD 3.64Å |
| 171 | Y | 97.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 38 Ų | 38 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -24.8 | -173.3 | -76.4 | -74.1 | 0 | 0 | 0 | 114.3 | F130 Q133 V134 Y139 I175 R208 C238 F240 | F130-Y171 HydrophobicContact CD2-CD1 4.08Å; F130-Y171 AromaticContact CD2-CE1 3.85Å; F130-Y171 HydrophobicContact CD2-CE1 3.85Å; F130-Y171 AromaticContact CE2-CD1 3.83Å; F130-Y171 HydrophobicContact CE2-CD1 3.83Å; F130-Y171 HydrophobicContact CE2-CE1 4.05Å; Q133-Y171 HydrophobicContact CB-CD1 3.63Å; Q133-Y171 HydrophobicContact CB-CD2 4.17Å; Q133-Y171 HydrophobicContact CB-CE1 3.44Å; Q133-Y171 VanDerWaalsContact CB-CE1 3.44Å; Q133-Y171 HydrophobicContact CB-CE2 4.01Å; Q133-Y171 HydrophobicContact CB-CG 4.01Å; Q133-Y171 HydrophobicContact CG-CD1 4.35Å; Q133-Y171 HydrophobicContact CG-CE1 3.65Å; Q133-Y171 HydrophobicContact CG-CE2 4.04Å; Q133-Y171 VanDerWaalsContact CG-CZ 3.48Å; V134-Y171 HydrophobicContact CG1-CD1 4.06Å; V134-Y171 HydrophobicContact CG1-CG 4.48Å; Y139-Y171 VanDerWaalsContact OH-CB 3.27Å; Y139-Y171 WeakPolarHBondContact OH-CB 3.23Å; Y171-I175 WeakPolarHBondContact O-CG2 3.49Å; Y171-I175 PolarHBondContact O-N 3.23Å; Y171-R208 PolarHBondContact OH-NH2 3.49Å; Y171-C238 WeakPolarHBondContact CB-O 3.33Å; Y171-C238 PolarHBondContact N-O 2.89Å; Y171-F240 HydrophobicContact CE2-CB 4.1Å; Y171-F240 HydrophobicContact CE2-CD2 4.37Å |
| 172 | D | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 177.8 | 64.8 | -36.9 | 0 | 0 | 0 | 112.3 | F144 A148 R151 C170 I175 R235 C238 | F144-D172 HydrophobicContact CE1-CB 4.01Å; F144-D172 HydrophobicContact CZ-CB 3.98Å; A148-D172 HydrophobicContact CB-CB 3.93Å; A148-D172 VanDerWaalsContact CB-O 3.31Å; A148-D172 WeakPolarHBondContact CB-O 3.38Å; R151-D172 WeakPolarHBondContact CD-OD2 3.34Å; R151-D172 IonicContact NE-OD1 2.88Å; R151-D172 IonicContact NE-OD2 2.71Å; R151-D172 PolarHBondContact NE-OD2 3.33Å; C170-D172 WeakPolarHBondContact CB-OD1 3.3Å; C170-D172 PolarHBondContact O-N 3.19Å; C170-D172 VanDerWaalsContact O-N 3.14Å; D172-I175 WeakPolarHBondContact O-CG2 3.36Å; D172-R235 WeakPolarHBondContact OD2-CD 3.39Å; D172-R235 IonicContact OD2-CZ 3.9Å; D172-R235 IonicContact OD2-NH1 3.62Å; D172-R235 PolarHBondContact OD2-NH1 2.9Å; D172-C238 HydrophobicContact CB-CB 3.86Å; D172-C238 WeakPolarHBondContact CB-SG 3.03Å |
| 173 | F | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -92.1 | -14.4 | 177.5 | 62.4 | -100.5 | 0 | 0 | 0 | 113.5 | A148 R151 F155 P169 C170 I176 W177 W225 F233 | A148-F173 WeakPolarHBondContact O-CB 3.21Å; R151-F173 HydrophobicContact CB-CB 4.13Å; R151-F173 HydrophobicContact CB-CD1 3.81Å; R151-F173 HydrophobicContact CB-CG 4.26Å; F155-F173 HydrophobicContact CB-CD2 4.02Å; F155-F173 HydrophobicContact CB-CE2 3.81Å; F155-F173 HydrophobicContact CD1-CE2 4.44Å; F155-F173 AromaticContact CD2-CE2 3.68Å; F155-F173 HydrophobicContact CD2-CE2 3.68Å; F155-F173 HydrophobicContact CD2-CZ 4.39Å; F155-F173 HydrophobicContact CE2-CE2 4.33Å; F155-F173 HydrophobicContact CG-CD2 4.15Å; F155-F173 AromaticContact CG-CE2 3.73Å; F155-F173 HydrophobicContact CG-CE2 3.73Å; P169-F173 HydrophobicContact CB-CD2 3.68Å; P169-F173 HydrophobicContact CB-CE2 3.18Å; P169-F173 HydrophobicContact CB-CZ 3.94Å; C170-F173 HydrophobicContact CB-CD1 3.93Å; C170-F173 HydrophobicContact CB-CE1 3.45Å; C170-F173 VanDerWaalsContact CB-CE1 3.45Å; C170-F173 HydrophobicContact CB-CZ 4.06Å; C170-F173 PolarHBondContact O-N 3.42Å; F173-I176 PolarHBondContact O-N 3.26Å; F173-W177 PolarHBondContact O-N 2.95Å; F173-W225 HydrophobicContact CE1-CH2 4.03Å; F173-W225 HydrophobicContact CE1-CZ3 4.07Å; F173-W225 HydrophobicContact CZ-CH2 4.3Å; F173-W225 AromaticContact CZ-CZ3 3.89Å; F173-W225 HydrophobicContact CZ-CZ3 3.89Å; F173-F233 HydrophobicContact CZ-CE2 4.08Å |
| 174 | D | 97.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 10% | 0.096 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 170.3 | -155.6 | 15.3 | 0 | 0 | 0 | 111.5 | F130 P169 C170 I176 W177 H178 | F130-D174 HydrophobicContact CE2-CB 4.06Å; F130-D174 WeakPolarHBondContact CE2-OD2 3.48Å; F130-D174 HydrophobicContact CZ-CB 4.42Å; P169-D174 HydrophobicContact CB-CB 3.95Å; P169-D174 HydrophobicContact CG-CB 3.81Å; P169-D174 WeakPolarHBondContact CG-OD1 3.34Å; C170-D174 VanDerWaalsContact O-CB 3.3Å; C170-D174 WeakPolarHBondContact O-CB 3.45Å; C170-D174 PolarHBondContact O-N 3.47Å; D174-I176 VanDerWaalsContact C-N 3.27Å; D174-I176 PolarHBondContact O-N 2.88Å; D174-W177 WeakPolarHBondContact O-CB 3.36Å; D174-W177 PolarHBondContact O-N 3.11Å; D174-W177 VanDerWaalsContact O-N 3.11Å; D174-H178 PolarHBondContact O-CD2 3.32Å; D174-H178 VanDerWaalsContact O-CD2 3.32Å; D174-H178 PolarHBondContact O-N 3.35Å; D174-H178 IonicContact OD1-CD2 2.83Å; D174-H178 IonicContact OD1-NE2 2.74Å |
| 175 | I | 97.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 25.1 Ų | 25.1 | 20% | 0.195 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -33.5 | 173.3 | -173.3 | 61.6 | 0 | 0 | 0 | 112.1 | F130 V134 Y139 Y171 D172 T179 | F130-I175 HydrophobicContact CE1-CD1 3.79Å; F130-I175 HydrophobicContact CZ-CB 4.22Å; F130-I175 HydrophobicContact CZ-CD1 4.19Å; V134-I175 HydrophobicContact CG1-CB 4.24Å; V134-I175 HydrophobicContact CG2-CD1 4.29Å; Y139-I175 HydrophobicContact CD1-CG2 3.98Å; Y139-I175 HydrophobicContact CE1-CG2 3.92Å; Y171-I175 WeakPolarHBondContact O-CG2 3.49Å; Y171-I175 PolarHBondContact O-N 3.23Å; D172-I175 WeakPolarHBondContact O-CG2 3.36Å; I175-T179 WeakPolarHBondContact O-CB 3.25Å; I175-T179 PolarHBondContact O-N 2.93Å; I175-T179 PolarHBondContact O-OG1 2.85Å |
| 176 | I | 98.3 | Very high | 97 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 13% | 0.128 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 173.2 | -56 | -55.8 | 0 | 0 | 0 | 110.1 | L145 A148 V149 Y152 F173 D174 T179 H180 | L145-I176 HydrophobicContact CD2-CD1 4.33Å; A148-I176 HydrophobicContact CB-CD1 4.45Å; A148-I176 HydrophobicContact CB-CG1 3.95Å; V149-I176 HydrophobicContact CG2-CD1 3.91Å; V149-I176 HydrophobicContact CG2-CG1 4.16Å; V149-I176 HydrophobicContact CG2-CG2 4Å; Y152-I176 HydrophobicContact CD1-CG2 3.63Å; Y152-I176 HydrophobicContact CE1-CG2 4.35Å; Y152-I176 HydrophobicContact CG-CB 4.26Å; Y152-I176 HydrophobicContact CG-CG2 3.82Å; F173-I176 PolarHBondContact O-N 3.26Å; D174-I176 VanDerWaalsContact C-N 3.27Å; D174-I176 PolarHBondContact O-N 2.88Å; I176-T179 WeakPolarHBondContact O-CB 3.12Å; I176-T179 PolarHBondContact O-N 2.95Å; I176-H180 PolarHBondContact O-N 3.36Å |
| 177 | W | 98.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 5% | 0.045 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 175.6 | -170.3 | 12.3 | 0 | 0 | 0 | 112 | Y152 F155 P169 F173 D174 T179 H180 Q181 Y187 L199 H201 | Y152-W177 HydrophobicContact CD2-CB 3.94Å; Y152-W177 HydrophobicContact CD2-CG 4.46Å; Y152-W177 HydrophobicContact CE2-CB 3.48Å; Y152-W177 VanDerWaalsContact CE2-CB 3.48Å; Y152-W177 AromaticContact CE2-CD1 3.69Å; Y152-W177 HydrophobicContact CE2-CD2 4.48Å; Y152-W177 AromaticContact CE2-CG 3.6Å; Y152-W177 HydrophobicContact CE2-CG 3.6Å; Y152-W177 AromaticContact CZ-CD1 3.91Å; F155-W177 HydrophobicContact CE1-CD2 4.24Å; F155-W177 AromaticContact CE1-CE3 3.81Å; F155-W177 HydrophobicContact CE1-CE3 3.81Å; F155-W177 HydrophobicContact CE1-CH2 4.11Å; F155-W177 AromaticContact CE1-CZ3 3.73Å; F155-W177 HydrophobicContact CE1-CZ3 3.73Å; F155-W177 HydrophobicContact CZ-CE3 4.32Å; F155-W177 HydrophobicContact CZ-CH2 4.33Å; F155-W177 AromaticContact CZ-CZ3 3.88Å; F155-W177 HydrophobicContact CZ-CZ3 3.88Å; P169-W177 HydrophobicContact CG-CE3 4.43Å; P169-W177 HydrophobicContact CG-CZ3 4.46Å; F173-W177 PolarHBondContact O-N 2.95Å; D174-W177 WeakPolarHBondContact O-CB 3.36Å; D174-W177 PolarHBondContact O-N 3.11Å; D174-W177 VanDerWaalsContact O-N 3.11Å; W177-T179 VanDerWaalsContact C-N 3.27Å; W177-T179 PolarHBondContact O-N 3.22Å; W177-H180 WeakPolarHBondContact O-CB 3.44Å; W177-H180 PolarHBondContact O-N 3.15Å; W177-H180 VanDerWaalsContact O-N 3.08Å; W177-Q181 VanDerWaalsContact CE2-NE2 3.28Å; W177-Q181 VanDerWaalsContact NE1-NE2 3.13Å; W177-Q181 WeakPolarHBondContact O-CG 3.41Å; W177-Q181 PolarHBondContact O-N 3.05Å; W177-Y187 AromaticContact CD1-CE2 3.91Å; W177-Y187 AromaticContact NE1-CE2 3.66Å; W177-Y187 AromaticContact NE1-CZ 3.62Å; W177-Y187 PolarHBondContact NE1-OH 3.45Å; W177-L199 HydrophobicContact CZ2-CD2 3.78Å; W177-L199 HydrophobicContact CZ2-CG 4.18Å; W177-H201 HydrophobicContact CH2-CB 4.48Å; W177-H201 AromaticContact CH2-CD2 3.59Å; W177-H201 HydrophobicContact CZ2-CB 4.19Å; W177-H201 AromaticContact CZ2-CD2 3.95Å; W177-H201 AromaticContact CZ3-CD2 3.63Å |
| 178 | H | 97.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 173.7 | -77.5 | -149.2 | 0 | 0 | 0 | 111.4 | L53 F130 D174 H180 Q181 V182 H201 | L53-H178 HydrophobicContact CD2-CB 3.74Å; F130-H178 AromaticContact CD1-CE1 3.67Å; F130-H178 AromaticContact CD1-ND1 3.62Å; F130-H178 AromaticContact CD2-CE1 3.7Å; F130-H178 AromaticContact CE1-CE1 3.56Å; F130-H178 AromaticContact CE1-CG 3.98Å; F130-H178 AromaticContact CE1-ND1 3.22Å; F130-H178 WeakPolarHBondContact CE1-ND1 3.31Å; F130-H178 AromaticContact CE2-CE1 3.61Å; F130-H178 AromaticContact CE2-NE2 3.95Å; F130-H178 AromaticContact CG-CE1 3.74Å; F130-H178 AromaticContact CZ-CE1 3.53Å; F130-H178 AromaticContact CZ-CG 3.9Å; F130-H178 AromaticContact CZ-ND1 3.47Å; F130-H178 WeakPolarHBondContact CZ-ND1 3.47Å; D174-H178 PolarHBondContact O-CD2 3.32Å; D174-H178 VanDerWaalsContact O-CD2 3.32Å; D174-H178 PolarHBondContact O-N 3.35Å; D174-H178 IonicContact OD1-CD2 2.83Å; D174-H178 IonicContact OD1-NE2 2.74Å; H178-H180 VanDerWaalsContact C-N 3.31Å; H178-H180 PolarHBondContact O-N 3.2Å; H178-Q181 PolarHBondContact O-N 2.95Å; H178-V182 WeakPolarHBondContact O-CG1 3.42Å; H178-V182 PolarHBondContact O-N 3.05Å; H178-H201 AromaticContact NE2-CE1 3.53Å; H178-H201 AromaticContact NE2-NE2 3.65Å |
| 179 | T | 96.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 28.4 Ų | 28.4 | 36% | 0.356 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | L74 I175 I176 W177 V182 H183 | L74-T179 HydrophobicContact CD1-CG2 3.91Å; I175-T179 WeakPolarHBondContact O-CB 3.25Å; I175-T179 PolarHBondContact O-N 2.93Å; I175-T179 PolarHBondContact O-OG1 2.85Å; I176-T179 WeakPolarHBondContact O-CB 3.12Å; I176-T179 PolarHBondContact O-N 2.95Å; W177-T179 VanDerWaalsContact C-N 3.27Å; W177-T179 PolarHBondContact O-N 3.22Å; T179-V182 WeakPolarHBondContact O-CG2 3.33Å; T179-H183 PolarHBondContact O-CD2 3.36Å; T179-H183 VanDerWaalsContact O-CD2 3.27Å |
| 180 | H | 98 | Very high | 97.6 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 15% | 0.153 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -42.2 | 175.9 | -170.1 | -165.5 | 0 | 0 | 0 | 111.6 | Y152 I176 W177 H178 V182 H183 Y187 D190 | Y152-H180 HydrophobicContact CE1-CB 4.29Å; Y152-H180 AromaticContact CE1-ND1 3.68Å; Y152-H180 AromaticContact CZ-ND1 3.72Å; Y152-H180 PolarHBondContact OH-ND1 3.34Å; I176-H180 PolarHBondContact O-N 3.36Å; W177-H180 WeakPolarHBondContact O-CB 3.44Å; W177-H180 PolarHBondContact O-N 3.15Å; W177-H180 VanDerWaalsContact O-N 3.08Å; H178-H180 VanDerWaalsContact C-N 3.31Å; H178-H180 PolarHBondContact O-N 3.2Å; H180-V182 VanDerWaalsContact C-N 3.3Å; H180-V182 PolarHBondContact O-N 3.44Å; H180-H183 PolarHBondContact O-N 3.44Å; H180-Y187 HydrophobicContact CB-CD2 4.2Å; H180-Y187 AromaticContact CD2-CD2 3.79Å; H180-Y187 AromaticContact CE1-CD2 3.65Å; H180-Y187 AromaticContact CG-CD2 3.59Å; H180-Y187 AromaticContact ND1-CD2 3.51Å; H180-Y187 AromaticContact ND1-CE2 3.92Å; H180-Y187 AromaticContact NE2-CD2 3.82Å; H180-D190 IonicContact CE1-OD2 3.41Å; H180-D190 IonicContact NE2-OD2 3.67Å; H180-D190 PolarHBondContact NE2-OD2 3.31Å |
| 181 | Q | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -35 | 179.8 | -72.2 | 170.4 | -2.7 | 0 | 0 | 113.6 | L53 P55 W177 H178 H183 Y187 | L53-Q181 HydrophobicContact CD2-CB 4.19Å; L53-Q181 VanDerWaalsContact CD2-OE1 3.31Å; P55-Q181 HydrophobicContact CG-CB 4.33Å; P55-Q181 HydrophobicContact CG-CG 3.98Å; W177-Q181 VanDerWaalsContact CE2-NE2 3.28Å; W177-Q181 VanDerWaalsContact NE1-NE2 3.13Å; W177-Q181 WeakPolarHBondContact O-CG 3.41Å; W177-Q181 PolarHBondContact O-N 3.05Å; H178-Q181 PolarHBondContact O-N 2.95Å; Q181-H183 PolarHBondContact O-N 3.16Å; Q181-H183 VanDerWaalsContact O-N 3.09Å; Q181-Y187 HydrophobicContact CG-CD1 4.43Å; Q181-Y187 HydrophobicContact CG-CD2 4.28Å; Q181-Y187 HydrophobicContact CG-CE1 4.07Å; Q181-Y187 HydrophobicContact CG-CE2 3.89Å |
| 182 | V | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 7.8 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | M52 L53 H72 L74 H178 T179 H180 P184 | M52-V182 HydrophobicContact CB-CG1 4.4Å; M52-V182 HydrophobicContact CE-CB 4.1Å; M52-V182 HydrophobicContact CE-CG1 4.25Å; L53-V182 HydrophobicContact CD2-CG1 3.92Å; H72-V182 VanDerWaalsContact CB-O 3.3Å; H72-V182 WeakPolarHBondContact CB-O 3.49Å; H72-V182 PolarHBondContact ND1-O 2.89Å; L74-V182 HydrophobicContact CD1-CG2 4.01Å; L74-V182 HydrophobicContact CD2-CG2 4.47Å; L74-V182 HydrophobicContact CG-CG2 4.21Å; H178-V182 WeakPolarHBondContact O-CG1 3.42Å; H178-V182 PolarHBondContact O-N 3.05Å; T179-V182 WeakPolarHBondContact O-CG2 3.33Å; H180-V182 VanDerWaalsContact C-N 3.3Å; H180-V182 PolarHBondContact O-N 3.44Å; V182-P184 VanDerWaalsContact C-CD 3.46Å; V182-P184 WeakPolarHBondContact O-CD 3.37Å |
| 183 | H | 97.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -113.7 | 74.1 | 164.9 | -66.5 | -68.2 | 0 | 0 | 0 | 109.7 | H72 L74 T179 H180 Q181 S185 S186 Y187 | H72-H183 PolarHBondContact O-ND1 2.92Å; L74-H183 PolarHBondContact N-CE1 3.38Å; T179-H183 PolarHBondContact O-CD2 3.36Å; T179-H183 VanDerWaalsContact O-CD2 3.27Å; H180-H183 PolarHBondContact O-N 3.44Å; Q181-H183 PolarHBondContact O-N 3.16Å; Q181-H183 VanDerWaalsContact O-N 3.09Å; H183-S185 VanDerWaalsContact C-N 3.31Å; H183-S185 PolarHBondContact O-N 3.18Å; H183-S185 VanDerWaalsContact O-N 3.12Å; H183-S186 PolarHBondContact O-N 3.3Å; H183-Y187 WeakPolarHBondContact O-CB 3.41Å; H183-Y187 PolarHBondContact O-N 2.95Å |
| 184 | P | 97.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 8% | 0.078 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.3 | -44.4 | -165.3 | -29.1 | 35.4 | 0 | 0 | 0 | 114.2 | M52 Y58 I69 V182 L188 | M52-P184 HydrophobicContact CG-CG 4.19Å; M52-P184 HydrophobicContact SD-CG 3.72Å; Y58-P184 HydrophobicContact CD1-CB 4.34Å; Y58-P184 HydrophobicContact CD1-CG 4.15Å; Y58-P184 HydrophobicContact CE1-CB 4.04Å; Y58-P184 HydrophobicContact CE1-CG 3.65Å; I69-P184 HydrophobicContact CG2-CB 3.95Å; V182-P184 VanDerWaalsContact C-CD 3.46Å; V182-P184 WeakPolarHBondContact O-CD 3.37Å; P184-L188 WeakPolarHBondContact O-CB 3.25Å; P184-L188 PolarHBondContact O-N 2.98Å |
| 185 | S | 96.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.7 | -39.1 | -178.2 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | D71 H183 R189 | D71-S185 WeakPolarHBondContact CB-OG 3.45Å; D71-S185 VanDerWaalsContact OD1-CB 3.26Å; D71-S185 WeakPolarHBondContact OD1-CB 3.45Å; D71-S185 PolarHBondContact OD1-N 3.31Å; D71-S185 PolarHBondContact OD1-OG 3.4Å; D71-S185 PolarHBondContact OD2-OG 3.05Å; H183-S185 VanDerWaalsContact C-N 3.31Å; H183-S185 PolarHBondContact O-N 3.18Å; H183-S185 VanDerWaalsContact O-N 3.12Å; S185-R189 WeakPolarHBondContact O-CB 3.23Å; S185-R189 PolarHBondContact O-N 2.99Å; S185-R189 VanDerWaalsContact O-N 3.13Å |
| 186 | S | 97.7 | Very high | 97.6 | Very high | 38 Ų | 38 | 40.9 Ų | 40.9 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.5 | -42.9 | 176.4 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | H183 L188 R189 D190 | H183-S186 PolarHBondContact O-N 3.3Å; S186-L188 PolarHBondContact O-N 3.31Å; S186-R189 PolarHBondContact O-N 2.8Å; S186-R189 PolarHBondContact OG-NH1 2.53Å; S186-R189 PolarHBondContact OG-NH2 3.28Å; S186-D190 WeakPolarHBondContact O-CB 3.31Å; S186-D190 PolarHBondContact O-N 3.16Å |
| 187 | Y | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 177.5 | -171.7 | -110.4 | 0 | 0 | 0 | 112.1 | P55 W177 H180 Q181 H183 D190 C191 L198 L199 | P55-Y187 HydrophobicContact CB-CD1 4.1Å; P55-Y187 HydrophobicContact CB-CE1 3.89Å; P55-Y187 HydrophobicContact CG-CD1 4.06Å; P55-Y187 HydrophobicContact CG-CE1 3.62Å; W177-Y187 AromaticContact CD1-CE2 3.91Å; W177-Y187 AromaticContact NE1-CE2 3.66Å; W177-Y187 AromaticContact NE1-CZ 3.62Å; W177-Y187 PolarHBondContact NE1-OH 3.45Å; H180-Y187 HydrophobicContact CB-CD2 4.2Å; H180-Y187 AromaticContact CD2-CD2 3.79Å; H180-Y187 AromaticContact CE1-CD2 3.65Å; H180-Y187 AromaticContact CG-CD2 3.59Å; H180-Y187 AromaticContact ND1-CD2 3.51Å; H180-Y187 AromaticContact ND1-CE2 3.92Å; H180-Y187 AromaticContact NE2-CD2 3.82Å; Q181-Y187 HydrophobicContact CG-CD1 4.43Å; Q181-Y187 HydrophobicContact CG-CD2 4.28Å; Q181-Y187 HydrophobicContact CG-CE1 4.07Å; Q181-Y187 HydrophobicContact CG-CE2 3.89Å; H183-Y187 WeakPolarHBondContact O-CB 3.41Å; H183-Y187 PolarHBondContact O-N 2.95Å; Y187-D190 PolarHBondContact O-N 3.02Å; Y187-C191 VanDerWaalsContact CE2-SG 3.59Å; Y187-C191 WeakPolarHBondContact O-CB 3.14Å; Y187-C191 PolarHBondContact O-N 3.18Å; Y187-C191 PolarHBondContact O-SG 3.41Å; Y187-L198 HydrophobicContact CD1-CD1 3.53Å; Y187-L198 HydrophobicContact CE1-CD1 3.64Å; Y187-L199 WeakPolarHBondContact OH-CB 3.31Å; Y187-L199 PolarHBondContact OH-O 2.76Å |
| 188 | L | 97.8 | Very high | 97.4 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.7 | 176.1 | 62 | 0 | 0 | 0 | 111.9 | I69 P184 S186 T192 L198 | I69-L188 HydrophobicContact CD1-CD2 4.29Å; P184-L188 WeakPolarHBondContact O-CB 3.25Å; P184-L188 PolarHBondContact O-N 2.98Å; S186-L188 PolarHBondContact O-N 3.31Å; L188-T192 VanDerWaalsContact O-CB 3.29Å; L188-T192 WeakPolarHBondContact O-CB 3.43Å; L188-T192 PolarHBondContact O-N 3.47Å; L188-T192 PolarHBondContact O-OG1 3.44Å; L188-L198 HydrophobicContact CB-CD1 4.36Å; L188-L198 HydrophobicContact CD1-CB 3.94Å; L188-L198 HydrophobicContact CD1-CD1 4.08Å; L188-L198 HydrophobicContact CD1-CG 4.42Å |
| 189 | R | 98.2 | Very high | 97.3 | Very high | 140 Ų | 140 | 44.4 Ų | 44.4 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 177.9 | 178.4 | -164.7 | 64.2 | -126.2 | -8 | 110.9 | S185 S186 T192 A193 | S185-R189 WeakPolarHBondContact O-CB 3.23Å; S185-R189 PolarHBondContact O-N 2.99Å; S185-R189 VanDerWaalsContact O-N 3.13Å; S186-R189 PolarHBondContact O-N 2.8Å; S186-R189 PolarHBondContact OG-NH1 2.53Å; S186-R189 PolarHBondContact OG-NH2 3.28Å; R189-T192 PolarHBondContact O-N 3.26Å; R189-A193 WeakPolarHBondContact O-CB 3.49Å; R189-A193 PolarHBondContact O-N 3.23Å |
| 190 | D | 98.3 | Very high | 97.1 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | -174.5 | -63.3 | -9.5 | 0 | 0 | 0 | 110.7 | H180 S186 Y187 T192 A193 I194 | H180-D190 IonicContact CE1-OD2 3.41Å; H180-D190 IonicContact NE2-OD2 3.67Å; H180-D190 PolarHBondContact NE2-OD2 3.31Å; S186-D190 WeakPolarHBondContact O-CB 3.31Å; S186-D190 PolarHBondContact O-N 3.16Å; Y187-D190 PolarHBondContact O-N 3.02Å; D190-T192 PolarHBondContact O-N 2.91Å; D190-A193 PolarHBondContact O-N 3.24Å; D190-I194 WeakPolarHBondContact O-CB 3.34Å; D190-I194 WeakPolarHBondContact O-CD1 3.43Å; D190-I194 WeakPolarHBondContact O-CG1 3.48Å; D190-I194 PolarHBondContact O-N 3.02Å |
| 191 | C | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 173.5 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | Y187 A193 I194 F195 G196 S197 L198 L199 | Y187-C191 VanDerWaalsContact CE2-SG 3.59Å; Y187-C191 WeakPolarHBondContact O-CB 3.14Å; Y187-C191 PolarHBondContact O-N 3.18Å; Y187-C191 PolarHBondContact O-SG 3.41Å; C191-A193 VanDerWaalsContact C-N 3.32Å; C191-A193 PolarHBondContact O-N 2.87Å; C191-I194 PolarHBondContact O-N 3.3Å; C191-F195 HydrophobicContact CB-CD2 3.93Å; C191-F195 HydrophobicContact CB-CE2 4.4Å; C191-F195 WeakPolarHBondContact O-CA 3.41Å; C191-F195 WeakPolarHBondContact O-CB 3.48Å; C191-F195 WeakPolarHBondContact O-CD2 3.47Å; C191-F195 PolarHBondContact O-N 3.27Å; C191-G196 PolarHBondContact O-N 2.9Å; C191-S197 CarbonylContact C-O 3.54Å; C191-S197 VanDerWaalsContact C-O 3.25Å; C191-S197 VanDerWaalsContact CB-O 3.31Å; C191-S197 WeakPolarHBondContact CB-O 3.48Å; C191-S197 VanDerWaalsContact O-O 3.11Å; C191-L198 HydrophobicContact CB-CD1 4.5Å; C191-L199 HydrophobicContact CB-CB 4.36Å |
| 192 | T | 97.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 49 Ų | 49 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | L188 R189 D190 G196 | L188-T192 VanDerWaalsContact O-CB 3.29Å; L188-T192 WeakPolarHBondContact O-CB 3.43Å; L188-T192 PolarHBondContact O-N 3.47Å; L188-T192 PolarHBondContact O-OG1 3.44Å; R189-T192 PolarHBondContact O-N 3.26Å; D190-T192 PolarHBondContact O-N 2.91Å; T192-G196 WeakPolarHBondContact O-CA 3.42Å; T192-G196 PolarHBondContact O-N 3.25Å |
| 193 | A | 97.8 | Very high | 95.8 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.3 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R189 D190 C191 | R189-A193 WeakPolarHBondContact O-CB 3.49Å; R189-A193 PolarHBondContact O-N 3.23Å; D190-A193 PolarHBondContact O-N 3.24Å; C191-A193 VanDerWaalsContact C-N 3.32Å; C191-A193 PolarHBondContact O-N 2.87Å |
| 194 | I | 96.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86.5 | -43.6 | -175.7 | -60.9 | 165.2 | 0 | 0 | 0 | 112 | L156 Q160 D190 C191 | L156-I194 HydrophobicContact CD1-CD1 4.17Å; Q160-I194 HydrophobicContact CB-CG2 4.33Å; Q160-I194 HydrophobicContact CG-CG2 4.33Å; Q160-I194 PolarHBondContact NE2-O 3.17Å; D190-I194 WeakPolarHBondContact O-CB 3.34Å; D190-I194 WeakPolarHBondContact O-CD1 3.43Å; D190-I194 WeakPolarHBondContact O-CG1 3.48Å; D190-I194 PolarHBondContact O-N 3.02Å; C191-I194 PolarHBondContact O-N 3.3Å |
| 195 | F | 96.7 | Very high | 95 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 21% | 0.211 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -115.2 | -5.9 | -169.2 | -47.4 | -63.8 | 0 | 0 | 0 | 113.9 | L156 K159 Q160 C191 S197 L199 | L156-F195 HydrophobicContact CB-CZ 4.19Å; L156-F195 HydrophobicContact CD2-CE2 4.18Å; L156-F195 HydrophobicContact CD2-CZ 3.78Å; K159-F195 HydrophobicContact CB-CE1 3.96Å; K159-F195 HydrophobicContact CB-CZ 4.22Å; Q160-F195 HydrophobicContact CB-CD1 4.11Å; Q160-F195 HydrophobicContact CB-CE1 3.88Å; Q160-F195 HydrophobicContact CG-CD1 4.44Å; C191-F195 HydrophobicContact CB-CD2 3.93Å; C191-F195 HydrophobicContact CB-CE2 4.4Å; C191-F195 WeakPolarHBondContact O-CA 3.41Å; C191-F195 WeakPolarHBondContact O-CB 3.48Å; C191-F195 WeakPolarHBondContact O-CD2 3.47Å; C191-F195 PolarHBondContact O-N 3.27Å; F195-S197 PolarHBondContact O-N 3.14Å; F195-L199 HydrophobicContact CD2-CB 3.9Å; F195-L199 HydrophobicContact CE2-CB 3.88Å; F195-L199 HydrophobicContact CE2-CD2 3.8Å; F195-L199 HydrophobicContact CE2-CG 4.28Å; F195-L199 HydrophobicContact CZ-CD2 4.05Å |
| 196 | G | 96.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 62% | 0.619 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 74.2 | -2.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C191 T192 | C191-G196 PolarHBondContact O-N 2.9Å; T192-G196 WeakPolarHBondContact O-CA 3.42Å; T192-G196 PolarHBondContact O-N 3.25Å |
| 197 | S | 95.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -158.4 | 168.2 | -177.3 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | C191 F195 L199 | C191-S197 CarbonylContact C-O 3.54Å; C191-S197 VanDerWaalsContact C-O 3.25Å; C191-S197 VanDerWaalsContact CB-O 3.31Å; C191-S197 WeakPolarHBondContact CB-O 3.48Å; C191-S197 VanDerWaalsContact O-O 3.11Å; F195-S197 PolarHBondContact O-N 3.14Å; S197-L199 PolarHBondContact O-N 3Å |
| 198 | L | 96.2 | Very high | 93.3 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 122.7 | 175.3 | -176.5 | 60.8 | 0 | 0 | 0 | 111.1 | P55 I56 Y187 L188 C191 K200 | P55-L198 HydrophobicContact CB-CD1 4.12Å; P55-L198 HydrophobicContact CB-CD2 3.93Å; P55-L198 HydrophobicContact CB-CG 4.21Å; I56-L198 HydrophobicContact CG1-CD2 4Å; I56-L198 HydrophobicContact CG1-CG 4.35Å; Y187-L198 HydrophobicContact CD1-CD1 3.53Å; Y187-L198 HydrophobicContact CE1-CD1 3.64Å; L188-L198 HydrophobicContact CB-CD1 4.36Å; L188-L198 HydrophobicContact CD1-CB 3.94Å; L188-L198 HydrophobicContact CD1-CD1 4.08Å; L188-L198 HydrophobicContact CD1-CG 4.42Å; C191-L198 HydrophobicContact CB-CD1 4.5Å; L198-K200 PolarHBondContact O-N 3.48Å |
| 199 | L | 95.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 119.4 | 178.6 | 178.2 | 67 | 0 | 0 | 0 | 110.9 | L156 W177 Y187 C191 F195 S197 | L156-L199 HydrophobicContact CD2-CD2 4.21Å; W177-L199 HydrophobicContact CZ2-CD2 3.78Å; W177-L199 HydrophobicContact CZ2-CG 4.18Å; Y187-L199 WeakPolarHBondContact OH-CB 3.31Å; Y187-L199 PolarHBondContact OH-O 2.76Å; C191-L199 HydrophobicContact CB-CB 4.36Å; F195-L199 HydrophobicContact CD2-CB 3.9Å; F195-L199 HydrophobicContact CE2-CB 3.88Å; F195-L199 HydrophobicContact CE2-CD2 3.8Å; F195-L199 HydrophobicContact CE2-CG 4.28Å; F195-L199 HydrophobicContact CZ-CD2 4.05Å; S197-L199 PolarHBondContact O-N 3Å |
| 200 | K | 93 | Very high | 91.8 | Very high | 125 Ų | 125 | 59.6 Ų | 59.6 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.7 | 175.9 | -176.4 | 174.4 | 178.4 | 176.3 | 0 | 112.2 | I56 L198 | I56-K200 HydrophobicContact CD1-CB 3.68Å; I56-K200 HydrophobicContact CD1-CD 4.37Å; I56-K200 HydrophobicContact CD1-CG 3.96Å; L198-K200 PolarHBondContact O-N 3.48Å |
| 201 | H | 92.8 | Very high | 91.1 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | trans | -122.9 | 129.1 | 164.9 | -177.6 | -113.3 | 0 | 0 | 0 | 109.8 | L53 W177 H178 | L53-H201 PolarHBondContact O-ND1 3.34Å; W177-H201 HydrophobicContact CH2-CB 4.48Å; W177-H201 AromaticContact CH2-CD2 3.59Å; W177-H201 HydrophobicContact CZ2-CB 4.19Å; W177-H201 AromaticContact CZ2-CD2 3.95Å; W177-H201 AromaticContact CZ3-CD2 3.63Å; H178-H201 AromaticContact NE2-CE1 3.53Å; H178-H201 AromaticContact NE2-NE2 3.65Å | ||
| 202 | D | 87.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 58.9 Ų | 58.9 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | trans | -114.7 | 93.4 | -178 | 178.6 | 7.4 | 0 | 0 | 0 | 109.2 | T204 V205 K213 | D202-T204 PolarHBondContact O-N 3.45Å; D202-T204 PolarHBondContact OD1-N 3.08Å; D202-T204 PolarHBondContact OD1-OG1 3.01Å; D202-V205 HydrophobicContact CB-CG2 4.49Å; D202-V205 VanDerWaalsContact OD2-CG2 3.25Å; D202-V205 WeakPolarHBondContact OD2-CG2 3.08Å; D202-K213 IonicContact OD2-NZ 2.67Å; D202-K213 PolarHBondContact OD2-NZ 3.3Å; D202-K213 VanDerWaalsContact OD2-NZ 3.13Å | ||
| 203 | D | 85.9 | Confident | 90.5 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.7 | -175 | 77.5 | -52.1 | 0 | 0 | 0 | 113.3 | Y118 R126 N206 | Y118-D203 PolarHBondContact OH-OD1 3.12Å; Y118-D203 PolarHBondContact OH-OD2 3.43Å; R126-D203 VanDerWaalsContact CD-O 3.3Å; R126-D203 WeakPolarHBondContact CD-O 3.41Å; R126-D203 IonicContact CZ-OD2 3.19Å; R126-D203 PolarHBondContact NE-O 3.46Å; R126-D203 IonicContact NE-OD2 3.41Å; R126-D203 PolarHBondContact NE-OD2 2.81Å; R126-D203 IonicContact NH2-OD1 2.93Å; R126-D203 PolarHBondContact NH2-OD1 2.99Å; R126-D203 IonicContact NH2-OD2 3.59Å; R126-D203 PolarHBondContact NH2-OD2 3.31Å; D203-N206 PolarHBondContact O-ND2 3.25Å |
| 204 | T | 88.5 | Confident | 90.2 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.7 | -178.9 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | D202 N206 | D202-T204 PolarHBondContact O-N 3.45Å; D202-T204 PolarHBondContact OD1-N 3.08Å; D202-T204 PolarHBondContact OD1-OG1 3.01Å; T204-N206 PolarHBondContact O-N 3.34Å; T204-N206 VanDerWaalsContact O-N 3.09Å; T204-N206 PolarHBondContact O-ND2 3.34Å |
| 205 | V | 88.5 | Confident | 89.8 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | trans | -85.4 | 83.4 | -173.7 | -171 | 0 | 0 | 0 | 0 | 111.4 | F166 D202 K213 L214 | F166-V205 HydrophobicContact CE1-CG1 4.34Å; F166-V205 HydrophobicContact CE2-CG2 4.33Å; F166-V205 HydrophobicContact CZ-CB 4.17Å; F166-V205 HydrophobicContact CZ-CG1 3.81Å; F166-V205 HydrophobicContact CZ-CG2 4.4Å; D202-V205 HydrophobicContact CB-CG2 4.49Å; D202-V205 VanDerWaalsContact OD2-CG2 3.25Å; D202-V205 WeakPolarHBondContact OD2-CG2 3.08Å; V205-K213 HydrophobicContact CG1-CB 3.99Å; V205-K213 HydrophobicContact CG1-CD 3.97Å; V205-K213 HydrophobicContact CG1-CG 4.03Å; V205-K213 HydrophobicContact CG2-CD 3.91Å; V205-L214 HydrophobicContact CG1-CB 4.06Å; V205-L214 HydrophobicContact CG1-CD1 4.28Å | ||
| 206 | N | 86 | Confident | 89.6 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | trans | -117.1 | -6.1 | -177.6 | -64.6 | -82.3 | 0 | 0 | 0 | 114.5 | D203 T204 R208 | D203-N206 PolarHBondContact O-ND2 3.25Å; T204-N206 PolarHBondContact O-N 3.34Å; T204-N206 VanDerWaalsContact O-N 3.09Å; T204-N206 PolarHBondContact O-ND2 3.34Å; N206-R208 PolarHBondContact O-N 2.99Å | ||
| 207 | D | 86.7 | Confident | 89.5 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | trans | -66.2 | 125 | 179.9 | 177.9 | 19.8 | 0 | 0 | 0 | 110.8 | T209 S212 L214 | D207-T209 VanDerWaalsContact CG-OG1 3.26Å; D207-T209 WeakPolarHBondContact OD1-CB 3.5Å; D207-T209 VanDerWaalsContact OD1-CG2 3.23Å; D207-T209 WeakPolarHBondContact OD1-CG2 3.48Å; D207-T209 PolarHBondContact OD1-N 3.23Å; D207-T209 PolarHBondContact OD1-OG1 3.2Å; D207-T209 PolarHBondContact OD2-OG1 2.81Å; D207-S212 VanDerWaalsContact O-CB 3.24Å; D207-S212 WeakPolarHBondContact O-CB 3.21Å; D207-S212 PolarHBondContact O-OG 3.47Å; D207-S212 VanDerWaalsContact O-OG 3.04Å; D207-S212 WeakPolarHBondContact OD2-CB 3.42Å; D207-L214 VanDerWaalsContact O-CB 3.26Å; D207-L214 WeakPolarHBondContact O-CB 3.46Å | ||
| 208 | R | 85.9 | Confident | 89.4 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | trans | -112.4 | 12.1 | 179.9 | -70.7 | -178.8 | 176.1 | -75.9 | 1.4 | 112.6 | Y171 N206 L214 L215 | Y171-R208 PolarHBondContact OH-NH2 3.49Å; N206-R208 PolarHBondContact O-N 2.99Å; R208-L214 HydrophobicContact CG-CD2 3.72Å; R208-L215 WeakPolarHBondContact O-CD1 3.39Å | ||
| 209 | T | 83.4 | Confident | 89.3 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -66.6 | 156.6 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 111 | D207 G211 S212 L215 | D207-T209 VanDerWaalsContact CG-OG1 3.26Å; D207-T209 WeakPolarHBondContact OD1-CB 3.5Å; D207-T209 VanDerWaalsContact OD1-CG2 3.23Å; D207-T209 WeakPolarHBondContact OD1-CG2 3.48Å; D207-T209 PolarHBondContact OD1-N 3.23Å; D207-T209 PolarHBondContact OD1-OG1 3.2Å; D207-T209 PolarHBondContact OD2-OG1 2.81Å; T209-G211 PolarHBondContact O-N 2.86Å; T209-S212 WeakPolarHBondContact O-CB 3.19Å; T209-S212 PolarHBondContact O-N 2.8Å; T209-S212 VanDerWaalsContact O-N 3.09Å; T209-S212 PolarHBondContact O-OG 2.94Å; T209-L215 WeakPolarHBondContact O-CD1 3.31Å |
| 210 | K | 79.9 | Confident | 89.3 | Confident | 148 Ų | 148 | 57.6 Ų | 57.6 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 124.8 | -179.9 | 176.9 | 178.7 | 173.9 | 154.6 | 0 | 110.4 | S212 G699 A700 | K210-S212 VanDerWaalsContact C-N 3.34Å; K210-G699 WeakPolarHBondContact CD-O 3.39Å; K210-G699 WeakPolarHBondContact CE-O 3.35Å; K210-G699 WeakPolarHBondContact CG-O 3.38Å; K210-G699 PolarHBondContact NZ-O 3.34Å; K210-A700 HydrophobicContact CG-CB 4.48Å |
| 211 | G | 84.1 | Confident | 89.5 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -0.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T209 K216 | T209-G211 PolarHBondContact O-N 2.86Å; G211-K216 WeakPolarHBondContact O-CE 3.44Å; G211-K216 PolarHBondContact O-NZ 2.95Å |
| 212 | S | 90.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | trans | -56.5 | 156 | 171.9 | 59 | 0 | 0 | 0 | 0 | 112.8 | D207 T209 K210 L214 L215 K216 | D207-S212 VanDerWaalsContact O-CB 3.24Å; D207-S212 WeakPolarHBondContact O-CB 3.21Å; D207-S212 PolarHBondContact O-OG 3.47Å; D207-S212 VanDerWaalsContact O-OG 3.04Å; D207-S212 WeakPolarHBondContact OD2-CB 3.42Å; T209-S212 WeakPolarHBondContact O-CB 3.19Å; T209-S212 PolarHBondContact O-N 2.8Å; T209-S212 VanDerWaalsContact O-N 3.09Å; T209-S212 PolarHBondContact O-OG 2.94Å; K210-S212 VanDerWaalsContact C-N 3.34Å; S212-L214 PolarHBondContact O-N 2.87Å; S212-L215 PolarHBondContact O-N 3.29Å; S212-L215 WeakPolarHBondContact OG-CG 3.32Å; S212-K216 WeakPolarHBondContact O-CG 3.43Å; S212-K216 PolarHBondContact O-N 3.13Å; S212-K216 VanDerWaalsContact O-N 3.12Å | ||
| 213 | K | 92.6 | Very high | 90 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 45% | 0.452 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.4 | -40.5 | 176.1 | -178.7 | -179.3 | 173.1 | -169.5 | 0 | 111.3 | F166 D202 V205 K216 G217 | F166-K213 HydrophobicContact CD1-CG 3.94Å; F166-K213 HydrophobicContact CE1-CG 4.04Å; F166-K213 HydrophobicContact CG-CG 4.3Å; F166-K213 HydrophobicContact CZ-CG 4.44Å; D202-K213 IonicContact OD2-NZ 2.67Å; D202-K213 PolarHBondContact OD2-NZ 3.3Å; D202-K213 VanDerWaalsContact OD2-NZ 3.13Å; V205-K213 HydrophobicContact CG1-CB 3.99Å; V205-K213 HydrophobicContact CG1-CD 3.97Å; V205-K213 HydrophobicContact CG1-CG 4.03Å; V205-K213 HydrophobicContact CG2-CD 3.91Å; K213-K216 PolarHBondContact O-N 3.39Å; K213-G217 PolarHBondContact O-N 2.83Å |
| 214 | L | 90.5 | Very high | 90.5 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | -178.6 | -165.5 | 63 | 0 | 0 | 0 | 112.4 | F166 T168 V205 D207 R208 S212 G217 E218 | F166-L214 HydrophobicContact CE1-CD1 4.46Å; F166-L214 HydrophobicContact CZ-CD1 4.35Å; T168-L214 HydrophobicContact CG2-CD1 3.54Å; T168-L214 HydrophobicContact CG2-CG 4.12Å; T168-L214 PolarHBondContact OG1-O 3.06Å; V205-L214 HydrophobicContact CG1-CB 4.06Å; V205-L214 HydrophobicContact CG1-CD1 4.28Å; D207-L214 VanDerWaalsContact O-CB 3.26Å; D207-L214 WeakPolarHBondContact O-CB 3.46Å; R208-L214 HydrophobicContact CG-CD2 3.72Å; S212-L214 PolarHBondContact O-N 2.87Å; L214-G217 PolarHBondContact O-N 2.97Å; L214-E218 PolarHBondContact O-N 2.85Å |
| 215 | L | 89.2 | Confident | 91 | Very high | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71 | -34.5 | -179.5 | -65.3 | -172.6 | 0 | 0 | 0 | 112.9 | R208 T209 S212 E218 A219 A697 | R208-L215 WeakPolarHBondContact O-CD1 3.39Å; T209-L215 WeakPolarHBondContact O-CD1 3.31Å; S212-L215 PolarHBondContact O-N 3.29Å; S212-L215 WeakPolarHBondContact OG-CG 3.32Å; L215-E218 PolarHBondContact O-N 2.85Å; L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 2.98Å; L215-A697 VanDerWaalsContact CD1-O 3.25Å; L215-A697 WeakPolarHBondContact CD1-O 3.49Å; L215-A697 HydrophobicContact CD2-CB 3.7Å |
| 216 | K | 93.4 | Very high | 91.3 | Very high | 141 Ų | 141 | 58.7 Ų | 58.7 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 172.2 | -73.6 | 172.6 | 175.1 | 162.6 | 0 | 111.1 | G211 S212 K213 A219 L220 | G211-K216 WeakPolarHBondContact O-CE 3.44Å; G211-K216 PolarHBondContact O-NZ 2.95Å; S212-K216 WeakPolarHBondContact O-CG 3.43Å; S212-K216 PolarHBondContact O-N 3.13Å; S212-K216 VanDerWaalsContact O-N 3.12Å; K213-K216 PolarHBondContact O-N 3.39Å; K216-A219 PolarHBondContact O-N 2.94Å; K216-L220 PolarHBondContact O-N 3Å |
| 217 | G | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | F166 T168 K213 L214 L220 T221 | F166-G217 WeakPolarHBondContact O-CA 3.38Å; T168-G217 VanDerWaalsContact OG1-C 3.3Å; K213-G217 PolarHBondContact O-N 2.83Å; L214-G217 PolarHBondContact O-N 2.97Å; G217-L220 PolarHBondContact O-N 3.19Å; G217-T221 WeakPolarHBondContact O-CB 3.46Å; G217-T221 PolarHBondContact O-N 3.35Å; G217-T221 PolarHBondContact O-OG1 3.28Å |
| 218 | E | 93.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.5 | -172.9 | -173.2 | 147.5 | 0 | 0 | 111.2 | T168 L214 L215 L220 T221 K222 F233 | T168-E218 HydrophobicContact CG2-CB 4.22Å; T168-E218 PolarHBondContact OG1-N 2.86Å; T168-E218 VanDerWaalsContact OG1-N 3.11Å; L214-E218 PolarHBondContact O-N 2.85Å; L215-E218 PolarHBondContact O-N 2.85Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 3.47Å; E218-T221 PolarHBondContact O-N 3.29Å; E218-K222 WeakPolarHBondContact O-CB 3.47Å; E218-K222 PolarHBondContact O-N 3.07Å; E218-F233 HydrophobicContact CG-CE1 3.88Å; E218-F233 HydrophobicContact CG-CZ 4.29Å |
| 219 | A | 92.5 | Very high | 92.8 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L215 K216 K223 | L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 2.98Å; K216-A219 PolarHBondContact O-N 2.94Å; A219-K223 PolarHBondContact O-N 3.08Å; A219-K223 VanDerWaalsContact O-N 3.11Å |
| 220 | L | 96.5 | Very high | 93.2 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 175.4 | 179 | 59.3 | 0 | 0 | 0 | 111.6 | Q165 L167 K216 G217 E218 K222 K223 L224 | Q165-L220 HydrophobicContact CB-CD2 3.92Å; Q165-L220 HydrophobicContact CG-CD2 4.17Å; L167-L220 HydrophobicContact CD2-CD2 4.04Å; L167-L220 HydrophobicContact CD2-CG 4.05Å; K216-L220 PolarHBondContact O-N 3Å; G217-L220 PolarHBondContact O-N 3.19Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 3.47Å; L220-K222 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 2.88Å; L220-K223 WeakPolarHBondContact O-CB 3.33Å; L220-K223 PolarHBondContact O-N 3.33Å; L220-K223 VanDerWaalsContact O-N 3.17Å; L220-L224 HydrophobicContact CD1-CD1 4.09Å; L220-L224 HydrophobicContact CD1-CG 4.08Å; L220-L224 HydrophobicContact CG-CD1 4.05Å; L220-L224 HydrophobicContact CG-CG 4.42Å; L220-L224 WeakPolarHBondContact O-CG 3.44Å; L220-L224 PolarHBondContact O-N 3.45Å |
| 221 | T | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 179.9 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | L167 T168 G217 E218 K223 L224 W225 F233 | L167-T221 WeakPolarHBondContact CA-OG1 3.46Å; L167-T221 HydrophobicContact CB-CG2 4.33Å; L167-T221 WeakPolarHBondContact CB-OG1 3.49Å; T168-T221 PolarHBondContact N-OG1 2.85Å; T168-T221 PolarHBondContact O-OG1 2.92Å; G217-T221 WeakPolarHBondContact O-CB 3.46Å; G217-T221 PolarHBondContact O-N 3.35Å; G217-T221 PolarHBondContact O-OG1 3.28Å; E218-T221 PolarHBondContact O-N 3.29Å; T221-K223 PolarHBondContact O-N 3.09Å; T221-L224 PolarHBondContact O-N 3.35Å; T221-W225 VanDerWaalsContact O-CB 3.23Å; T221-W225 WeakPolarHBondContact O-CB 3.37Å; T221-W225 PolarHBondContact O-N 3.05Å; T221-F233 HydrophobicContact CG2-CD2 3.98Å; T221-F233 HydrophobicContact CG2-CE2 3.44Å; T221-F233 VanDerWaalsContact CG2-CE2 3.44Å; T221-F233 HydrophobicContact CG2-CZ 4.13Å |
| 222 | K | 95.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.3 | -176.2 | 176.7 | -177.7 | 177.2 | 0 | 111.9 | E218 L220 W225 T226 F233 G693 | E218-K222 WeakPolarHBondContact O-CB 3.47Å; E218-K222 PolarHBondContact O-N 3.07Å; L220-K222 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 2.88Å; K222-W225 PolarHBondContact O-N 2.85Å; K222-T226 PolarHBondContact O-N 3.19Å; K222-T226 VanDerWaalsContact O-N 3.1Å; K222-T226 PolarHBondContact O-OG1 2.98Å; K222-F233 HydrophobicContact CB-CB 4.38Å; K222-F233 HydrophobicContact CB-CD1 3.84Å; K222-F233 HydrophobicContact CB-CE1 4.42Å; K222-F233 HydrophobicContact CB-CG 4.19Å; K222-F233 HydrophobicContact CG-CB 4.23Å; K222-F233 HydrophobicContact CG-CD1 4.15Å; K222-F233 HydrophobicContact CG-CG 4.47Å; K222-G693 PolarHBondContact NZ-O 3.3Å |
| 223 | K | 96.5 | Very high | 94 | Very high | 144 Ų | 144 | 63 Ų | 63 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.9 | -48.8 | 177.9 | -180 | -175.8 | 175.8 | -176.3 | 0 | 111.6 | A219 L220 T221 T227 | A219-K223 PolarHBondContact O-N 3.08Å; A219-K223 VanDerWaalsContact O-N 3.11Å; L220-K223 WeakPolarHBondContact O-CB 3.33Å; L220-K223 PolarHBondContact O-N 3.33Å; L220-K223 VanDerWaalsContact O-N 3.17Å; T221-K223 PolarHBondContact O-N 3.09Å; K223-T227 PolarHBondContact O-N 3.32Å; K223-T227 PolarHBondContact O-OG1 3.11Å |
| 224 | L | 97.4 | Very high | 94 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 179.4 | -65.8 | 177.5 | 0 | 0 | 0 | 111.3 | L158 Y162 L167 L220 T221 T226 T227 H228 | L158-L224 HydrophobicContact CD1-CB 4.26Å; L158-L224 HydrophobicContact CD2-CB 4.18Å; Y162-L224 HydrophobicContact CD2-CD1 3.7Å; Y162-L224 HydrophobicContact CD2-CD2 4.28Å; Y162-L224 HydrophobicContact CE1-CD2 4.11Å; Y162-L224 HydrophobicContact CE2-CD1 4Å; Y162-L224 HydrophobicContact CE2-CD2 3.74Å; Y162-L224 HydrophobicContact CE2-CG 4.31Å; Y162-L224 HydrophobicContact CG-CD1 4Å; L167-L224 HydrophobicContact CD2-CD1 3.78Å; L220-L224 HydrophobicContact CD1-CD1 4.09Å; L220-L224 HydrophobicContact CD1-CG 4.08Å; L220-L224 HydrophobicContact CG-CD1 4.05Å; L220-L224 HydrophobicContact CG-CG 4.42Å; L220-L224 WeakPolarHBondContact O-CG 3.44Å; L220-L224 PolarHBondContact O-N 3.45Å; T221-L224 PolarHBondContact O-N 3.35Å; L224-T226 PolarHBondContact O-N 3.21Å; L224-T227 WeakPolarHBondContact O-CB 3.45Å; L224-T227 PolarHBondContact O-N 3.45Å; L224-H228 PolarHBondContact O-CD2 2.86Å; L224-H228 VanDerWaalsContact O-CD2 3.25Å; L224-H228 PolarHBondContact O-N 3.39Å |
| 225 | W | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 178.5 | -162.4 | -71.4 | 0 | 0 | 0 | 112 | R151 Q154 F155 L158 F173 T221 K222 T227 H228 F229 E231 F233 | R151-W225 HydrophobicContact CB-CH2 3.98Å; R151-W225 HydrophobicContact CB-CZ2 4.3Å; R151-W225 HydrophobicContact CG-CH2 4.35Å; R151-W225 HydrophobicContact CG-CZ2 4.17Å; R151-W225 WeakPolarHBondContact O-CH2 3.45Å; Q154-W225 HydrophobicContact CB-CH2 3.87Å; Q154-W225 HydrophobicContact CB-CZ2 4.24Å; Q154-W225 HydrophobicContact CB-CZ3 4.39Å; F155-W225 HydrophobicContact CB-CZ3 4.42Å; L158-W225 HydrophobicContact CD1-CE3 3.98Å; F173-W225 HydrophobicContact CE1-CH2 4.03Å; F173-W225 HydrophobicContact CE1-CZ3 4.07Å; F173-W225 HydrophobicContact CZ-CH2 4.3Å; F173-W225 AromaticContact CZ-CZ3 3.89Å; F173-W225 HydrophobicContact CZ-CZ3 3.89Å; T221-W225 VanDerWaalsContact O-CB 3.23Å; T221-W225 WeakPolarHBondContact O-CB 3.37Å; T221-W225 PolarHBondContact O-N 3.05Å; K222-W225 PolarHBondContact O-N 2.85Å; W225-T227 PolarHBondContact O-N 2.95Å; W225-H228 PolarHBondContact O-N 3.11Å; W225-F229 AromaticContact CD1-CD2 3.93Å; W225-F229 AromaticContact CD2-CD2 3.78Å; W225-F229 HydrophobicContact CD2-CD2 3.78Å; W225-F229 HydrophobicContact CD2-CE2 4.24Å; W225-F229 AromaticContact CE2-CD2 3.83Å; W225-F229 HydrophobicContact CE3-CD2 4.29Å; W225-F229 HydrophobicContact CE3-CE2 4.29Å; W225-F229 AromaticContact CG-CD2 3.88Å; W225-F229 HydrophobicContact CG-CD2 3.88Å; W225-F229 HydrophobicContact CZ2-CD2 4.41Å; W225-F229 AromaticContact NE1-CD2 3.91Å; W225-F229 PolarHBondContact O-N 2.86Å; W225-E231 PolarHBondContact NE1-O 3.46Å; W225-F233 HydrophobicContact CB-CB 3.86Å; W225-F233 HydrophobicContact CB-CD2 4.26Å; W225-F233 HydrophobicContact CB-CG 4.45Å; W225-F233 HydrophobicContact CD2-CB 4.22Å; W225-F233 AromaticContact CD2-CD2 3.93Å; W225-F233 HydrophobicContact CD2-CD2 3.93Å; W225-F233 AromaticContact CE3-CD2 3.79Å; W225-F233 HydrophobicContact CE3-CD2 3.79Å; W225-F233 HydrophobicContact CE3-CE2 4.46Å; W225-F233 HydrophobicContact CG-CB 3.72Å; W225-F233 HydrophobicContact CG-CD2 4.15Å; W225-F233 HydrophobicContact CG-CG 4.43Å; W225-F233 HydrophobicContact CZ3-CD2 4.46Å |
| 226 | T | 95 | Very high | 94.2 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 63% | 0.632 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64 | -25.9 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | K222 L224 | K222-T226 PolarHBondContact O-N 3.19Å; K222-T226 VanDerWaalsContact O-N 3.1Å; K222-T226 PolarHBondContact O-OG1 2.98Å; L224-T226 PolarHBondContact O-N 3.21Å |
| 227 | T | 96.7 | Very high | 94.3 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -76.7 | -33.9 | 178 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | K223 L224 W225 | K223-T227 PolarHBondContact O-N 3.32Å; K223-T227 PolarHBondContact O-OG1 3.11Å; L224-T227 WeakPolarHBondContact O-CB 3.45Å; L224-T227 PolarHBondContact O-N 3.45Å; W225-T227 PolarHBondContact O-N 2.95Å |
| 228 | H | 97.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 38% | 0.384 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -106.2 | -20.8 | -169.9 | -74.6 | -81 | 0 | 0 | 0 | 114.7 | L158 Y162 L224 W225 | L158-H228 HydrophobicContact CD2-CB 4.1Å; Y162-H228 AromaticContact CE2-NE2 3.46Å; Y162-H228 WeakPolarHBondContact CE2-NE2 3.47Å; Y162-H228 AromaticContact CZ-NE2 3.6Å; Y162-H228 PolarHBondContact OH-NE2 2.98Å; L224-H228 PolarHBondContact O-CD2 2.86Å; L224-H228 VanDerWaalsContact O-CD2 3.25Å; L224-H228 PolarHBondContact O-N 3.39Å; W225-H228 PolarHBondContact O-N 3.11Å |
| 229 | F | 96.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | trans | -135.4 | 142.5 | -172.8 | -47.7 | -59.4 | 0 | 0 | 0 | 111.8 | Q154 L157 L158 W225 E231 | Q154-F229 HydrophobicContact CB-CD1 4.48Å; Q154-F229 HydrophobicContact CB-CD2 4.24Å; Q154-F229 HydrophobicContact CB-CE1 4Å; Q154-F229 HydrophobicContact CB-CE2 3.71Å; Q154-F229 HydrophobicContact CB-CZ 3.58Å; Q154-F229 HydrophobicContact CG-CD1 4.02Å; Q154-F229 HydrophobicContact CG-CD2 4.48Å; Q154-F229 HydrophobicContact CG-CE1 3.8Å; Q154-F229 HydrophobicContact CG-CE2 4.28Å; Q154-F229 HydrophobicContact CG-CG 4.36Å; Q154-F229 HydrophobicContact CG-CZ 3.95Å; Q154-F229 WeakPolarHBondContact O-CZ 3.43Å; L157-F229 HydrophobicContact CD2-CE1 4.46Å; L158-F229 HydrophobicContact CD1-CE2 3.93Å; L158-F229 HydrophobicContact CD2-CE2 3.94Å; L158-F229 HydrophobicContact CD2-CZ 4.18Å; L158-F229 HydrophobicContact CG-CE2 3.75Å; L158-F229 HydrophobicContact CG-CZ 4.11Å; W225-F229 AromaticContact CD1-CD2 3.93Å; W225-F229 AromaticContact CD2-CD2 3.78Å; W225-F229 HydrophobicContact CD2-CD2 3.78Å; W225-F229 HydrophobicContact CD2-CE2 4.24Å; W225-F229 AromaticContact CE2-CD2 3.83Å; W225-F229 HydrophobicContact CE3-CD2 4.29Å; W225-F229 HydrophobicContact CE3-CE2 4.29Å; W225-F229 AromaticContact CG-CD2 3.88Å; W225-F229 HydrophobicContact CG-CD2 3.88Å; W225-F229 HydrophobicContact CZ2-CD2 4.41Å; W225-F229 AromaticContact NE1-CD2 3.91Å; W225-F229 PolarHBondContact O-N 2.86Å; F229-E231 VanDerWaalsContact C-N 3.27Å; F229-E231 PolarHBondContact O-N 2.86Å | ||
| 230 | D | 91.2 | Very high | 94.3 | Very high | 179 Ų | 179 | 52.7 Ų | 52.7 | 96% | 0.957 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -75.3 | -16.8 | 177.6 | -61.5 | -42.6 | 0 | 0 | 0 | 113 | ||
| 231 | E | 89.3 | Confident | 94 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -85.8 | 145.3 | 177.5 | -65.4 | -177.3 | -170.9 | 0 | 0 | 111.7 | W225 F229 | W225-E231 PolarHBondContact NE1-O 3.46Å; F229-E231 VanDerWaalsContact C-N 3.27Å; F229-E231 PolarHBondContact O-N 2.86Å |
| 232 | P | 90.4 | Very high | 93.6 | Very high | 88 Ų | 88 | 51 Ų | 51 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | trans | -69.8 | 142.9 | 179.1 | 28.5 | -34.6 | 0 | 0 | 0 | 112.7 | R151 | R151-P232 PolarHBondContact NH1-O 2.93Š| ||
| 233 | F | 92.5 | Very high | 93.4 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -60.7 | -45.7 | 170.2 | 174.2 | -106.5 | 0 | 0 | 0 | 111.3 | R151 T168 C170 F173 E218 T221 K222 W225 M239 | R151-F233 PolarHBondContact NH2-O 3.49Å; T168-F233 WeakPolarHBondContact O-CZ 3.42Å; C170-F233 WeakPolarHBondContact SG-CZ 3.23Å; C170-F233 PolarHBondContact SG-O 2.86Å; F173-F233 HydrophobicContact CZ-CE2 4.08Å; E218-F233 HydrophobicContact CG-CE1 3.88Å; E218-F233 HydrophobicContact CG-CZ 4.29Å; T221-F233 HydrophobicContact CG2-CD2 3.98Å; T221-F233 HydrophobicContact CG2-CE2 3.44Å; T221-F233 VanDerWaalsContact CG2-CE2 3.44Å; T221-F233 HydrophobicContact CG2-CZ 4.13Å; K222-F233 HydrophobicContact CB-CB 4.38Å; K222-F233 HydrophobicContact CB-CD1 3.84Å; K222-F233 HydrophobicContact CB-CE1 4.42Å; K222-F233 HydrophobicContact CB-CG 4.19Å; K222-F233 HydrophobicContact CG-CB 4.23Å; K222-F233 HydrophobicContact CG-CD1 4.15Å; K222-F233 HydrophobicContact CG-CG 4.47Å; W225-F233 HydrophobicContact CB-CB 3.86Å; W225-F233 HydrophobicContact CB-CD2 4.26Å; W225-F233 HydrophobicContact CB-CG 4.45Å; W225-F233 HydrophobicContact CD2-CB 4.22Å; W225-F233 AromaticContact CD2-CD2 3.93Å; W225-F233 HydrophobicContact CD2-CD2 3.93Å; W225-F233 AromaticContact CE3-CD2 3.79Å; W225-F233 HydrophobicContact CE3-CD2 3.79Å; W225-F233 HydrophobicContact CE3-CE2 4.46Å; W225-F233 HydrophobicContact CG-CB 3.72Å; W225-F233 HydrophobicContact CG-CD2 4.15Å; W225-F233 HydrophobicContact CG-CG 4.43Å; W225-F233 HydrophobicContact CZ3-CD2 4.46Å; F233-M239 HydrophobicContact CE1-CE 4.43Å |
| 234 | W | 92.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -73.4 | 133.8 | 176.3 | 179.9 | 98.5 | 0 | 0 | 0 | 110.1 | R236 M239 A494 D495 C683 | W234-R236 HydrophobicContact CH2-CB 4.46Å; W234-R236 HydrophobicContact CH2-CG 3.55Å; W234-R236 HydrophobicContact CZ3-CG 3.73Å; W234-M239 HydrophobicContact CG-CG 4.2Å; W234-M239 HydrophobicContact CG-SD 4.26Å; W234-M239 VanDerWaalsContact NE1-CG 3.33Å; W234-A494 HydrophobicContact CH2-CB 3.69Å; W234-A494 HydrophobicContact CZ2-CB 3.87Å; W234-D495 PolarHBondContact NE1-OD1 3.34Å; W234-C683 HydrophobicContact CH2-CB 4.2Å; W234-C683 HydrophobicContact CZ3-CB 3.67Å | ||
| 235 | R | 91.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | trans | -137.6 | 140.1 | 177.9 | -176.3 | -178.1 | 173.7 | -161 | 6.8 | 110.4 | D147 D172 G237 C238 Q502 | D147-R235 VanDerWaalsContact CB-NH2 3.27Å; D147-R235 IonicContact OD2-NH2 2.72Å; D172-R235 WeakPolarHBondContact OD2-CD 3.39Å; D172-R235 IonicContact OD2-CZ 3.9Å; D172-R235 IonicContact OD2-NH1 3.62Å; D172-R235 PolarHBondContact OD2-NH1 2.9Å; R235-G237 PolarHBondContact O-N 2.86Å; R235-C238 HydrophobicContact CB-CB 4.04Å; R235-C238 VanDerWaalsContact CD-SG 3.54Å; R235-C238 WeakPolarHBondContact CG-SG 3.48Å; R235-C238 VanDerWaalsContact O-CB 3.27Å; R235-C238 WeakPolarHBondContact O-CB 3.44Å; R235-C238 PolarHBondContact O-N 3.13Å; R235-Q502 VanDerWaalsContact CG-NE2 3.33Å; R235-Q502 VanDerWaalsContact NE-NE2 3.1Å | ||
| 236 | R | 93.2 | Very high | 92.7 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 9% | 0.087 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 133.9 | 177.9 | -64.7 | -174.6 | 169 | -104.1 | -4.1 | 111.4 | W234 C238 A494 L514 C683 | W234-R236 HydrophobicContact CH2-CB 4.46Å; W234-R236 HydrophobicContact CH2-CG 3.55Å; W234-R236 HydrophobicContact CZ3-CG 3.73Å; R236-C238 VanDerWaalsContact C-N 3.26Å; R236-C238 PolarHBondContact O-N 2.69Å; R236-C238 PolarHBondContact O-SG 2.84Å; R236-A494 CarbonylContact C-O 3.56Å; R236-A494 WeakPolarHBondContact CA-O 3.37Å; R236-A494 HydrophobicContact CG-CB 4.13Å; R236-L514 PolarHBondContact NH1-O 3.07Å; R236-C683 PolarHBondContact NE-O 3.28Å; R236-C683 VanDerWaalsContact NH2-C 3.32Å; R236-C683 PolarHBondContact NH2-O 2.92Å |
| 237 | G | 94 | Very high | 92.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H138 Y139 R235 A494 D495 L497 | H138-G237 PolarHBondContact NE2-O 3.35Å; Y139-G237 PolarHBondContact OH-O 3.15Å; R235-G237 PolarHBondContact O-N 2.86Å; G237-A494 PolarHBondContact N-O 3Å; G237-D495 CarbonylContact C-O 3.11Å; G237-D495 WeakPolarHBondContact CA-O 3.41Å; G237-D495 PolarHBondContact N-O 2.79Å; G237-L497 PolarHBondContact N-O 3.41Å |
| 238 | C | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -117.9 | 0.6 | -171.1 | -49.6 | 0 | 0 | 0 | 0 | 113.3 | F144 C170 Y171 D172 R235 R236 D495 | F144-C238 VanDerWaalsContact CZ-SG 3.52Å; C170-C238 HydrophobicContact CB-CB 4.3Å; Y171-C238 WeakPolarHBondContact CB-O 3.33Å; Y171-C238 PolarHBondContact N-O 2.89Å; D172-C238 HydrophobicContact CB-CB 3.86Å; D172-C238 WeakPolarHBondContact CB-SG 3.03Å; R235-C238 HydrophobicContact CB-CB 4.04Å; R235-C238 VanDerWaalsContact CD-SG 3.54Å; R235-C238 WeakPolarHBondContact CG-SG 3.48Å; R235-C238 VanDerWaalsContact O-CB 3.27Å; R235-C238 WeakPolarHBondContact O-CB 3.44Å; R235-C238 PolarHBondContact O-N 3.13Å; R236-C238 VanDerWaalsContact C-N 3.26Å; R236-C238 PolarHBondContact O-N 2.69Å; R236-C238 PolarHBondContact O-SG 2.84Å; C238-D495 PolarHBondContact N-O 3.29Å | ||
| 239 | M | 92.7 | Very high | 91.9 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -105.8 | 170.7 | -173 | -55.2 | -50.9 | -63.9 | 0 | 0 | 112 | C170 F233 W234 R241 D495 | C170-M239 HydrophobicContact CB-SD 4.35Å; C170-M239 VanDerWaalsContact SG-SD 3.64Å; F233-M239 HydrophobicContact CE1-CE 4.43Å; W234-M239 HydrophobicContact CG-CG 4.2Å; W234-M239 HydrophobicContact CG-SD 4.26Å; W234-M239 VanDerWaalsContact NE1-CG 3.33Å; M239-R241 PolarHBondContact O-N 3.42Å; M239-D495 HydrophobicContact CB-CB 3.85Å; M239-D495 PolarHBondContact N-O 3.09Å; M239-D495 VanDerWaalsContact N-O 3.12Å |
| 240 | F | 91.9 | Very high | 91.7 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | trans | -58.4 | 124 | 175.6 | -179.5 | -119.4 | 0 | 0 | 0 | 111.1 | Q133 Y171 G242 H243 | Q133-F240 HydrophobicContact CG-CD2 4.48Å; Y171-F240 HydrophobicContact CE2-CB 4.1Å; Y171-F240 HydrophobicContact CE2-CD2 4.37Å; F240-G242 VanDerWaalsContact CE1-CA 3.44Å; F240-G242 VanDerWaalsContact CE1-O 3.3Å; F240-G242 WeakPolarHBondContact CE1-O 3.36Å; F240-G242 VanDerWaalsContact CZ-C 3.46Å; F240-G242 PolarHBondContact O-N 3.27Å; F240-G242 VanDerWaalsContact O-N 3.14Å; F240-H243 VanDerWaalsContact CZ-N 3.3Å | ||
| 241 | R | 91.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | trans | -69.4 | -13.8 | -173.6 | -62.5 | 175.9 | 59.5 | -177 | -1.5 | 113.6 | Y132 Q133 S135 M239 R436 D530 | Y132-R241 PolarHBondContact O-NH1 3.14Å; Y132-R241 VanDerWaalsContact OH-CZ 3.32Å; Y132-R241 PolarHBondContact OH-NH2 2.89Å; Y132-R241 VanDerWaalsContact OH-NH2 3.08Å; Q133-R241 VanDerWaalsContact OE1-CB 3.32Å; Q133-R241 VanDerWaalsContact OE1-CG 3.31Å; S135-R241 PolarHBondContact OG-NH1 3.2Å; M239-R241 PolarHBondContact O-N 3.42Å; R241-R436 PolarHBondContact O-NH2 3.04Å; R241-D530 IonicContact CZ-OD1 2.69Å; R241-D530 IonicContact CZ-OD2 3.06Å; R241-D530 VanDerWaalsContact CZ-OD2 3.23Å; R241-D530 IonicContact NH1-OD1 2.79Å; R241-D530 IonicContact NH1-OD2 3.38Å; R241-D530 PolarHBondContact NH1-OD2 2.91Å; R241-D530 IonicContact NH2-OD1 2.71Å; R241-D530 PolarHBondContact NH2-OD1 3.32Å; R241-D530 IonicContact NH2-OD2 2.71Å; R241-D530 PolarHBondContact NH2-OD2 2.88Å | ||
| 242 | G | 88.3 | Confident | 91.9 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 120.5 | -18.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | F240 | F240-G242 VanDerWaalsContact CE1-CA 3.44Å; F240-G242 VanDerWaalsContact CE1-O 3.3Å; F240-G242 WeakPolarHBondContact CE1-O 3.36Å; F240-G242 VanDerWaalsContact CZ-C 3.46Å; F240-G242 PolarHBondContact O-N 3.27Å; F240-G242 VanDerWaalsContact O-N 3.14Å |
| 243 | H | 91.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -150.3 | 164.2 | 179.3 | 60.8 | 77.3 | 0 | 0 | 0 | 112.1 | Y132 Q133 F240 L249 C431 H490 | Y132-H243 AromaticContact CE1-CE1 3.52Å; Y132-H243 AromaticContact CE1-ND1 3.74Å; Y132-H243 AromaticContact CZ-CE1 3.54Å; Y132-H243 PolarHBondContact OH-CE1 2.69Å; Q133-H243 PolarHBondContact NE2-O 3.06Å; F240-H243 VanDerWaalsContact CZ-N 3.3Å; H243-L249 HydrophobicContact CB-CD2 4.18Å; H243-C431 HydrophobicContact CB-CB 3.62Å; H243-C431 VanDerWaalsContact CB-SG 3.54Å; H243-H490 AromaticContact CD2-NE2 3.66Å; H243-H490 AromaticContact NE2-CE1 3.93Å; H243-H490 AromaticContact NE2-NE2 3.25Å; H243-H490 PolarHBondContact NE2-NE2 3.42Å |
| 244 | N | 91.4 | Very high | 91.1 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -67.4 | 174 | 172.9 | -74 | -15.4 | 0 | 0 | 0 | 111.6 | N129 F248 | N129-N244 VanDerWaalsContact OD1-CB 3.28Å; N129-N244 WeakPolarHBondContact OD1-CB 3.23Å; N244-F248 HydrophobicContact CB-CB 4.25Å; N244-F248 HydrophobicContact CB-CD2 3.99Å; N244-F248 HydrophobicContact CB-CG 4.5Å |
| 245 | A | 91.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | trans | -53.1 | 143.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R128 N129 Y132 A247 F248 | R128-A245 HydrophobicContact CG-CB 4.2Å; N129-A245 PolarHBondContact OD1-N 3.32Å; Y132-A245 HydrophobicContact CG-CB 4.12Å; A245-A247 PolarHBondContact O-N 3.47Å; A245-F248 HydrophobicContact CB-CD2 3.95Å; A245-F248 HydrophobicContact CB-CE2 4Å; A245-F248 WeakPolarHBondContact O-CD2 3.4Å; A245-F248 PolarHBondContact O-N 3.14Å | ||
| 246 | P | 92.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -52.8 | -24.9 | -175.2 | -37.3 | 43.7 | 0 | 0 | 0 | 116.1 | Y132 F248 L249 F251 L525 N526 | Y132-P246 VanDerWaalsContact CD2-CD 3.45Å; Y132-P246 HydrophobicContact CD2-CG 4.26Å; Y132-P246 HydrophobicContact CE2-CG 3.73Å; P246-F248 PolarHBondContact O-N 2.88Å; P246-F248 VanDerWaalsContact O-N 3.09Å; P246-L249 WeakPolarHBondContact O-CB 3.35Å; P246-L249 PolarHBondContact O-N 2.57Å; P246-F251 HydrophobicContact CB-CD2 4.02Å; P246-F251 HydrophobicContact CB-CE2 3.88Å; P246-F251 VanDerWaalsContact O-CD2 3.28Å; P246-F251 WeakPolarHBondContact O-CD2 3.45Å; P246-L525 HydrophobicContact CG-CB 4.38Å; P246-L525 HydrophobicContact CG-CD1 4.42Å; P246-N526 WeakPolarHBondContact CB-O 3.17Å |
| 247 | A | 89 | Confident | 89.3 | Confident | 36 Ų | 36 | 27 Ų | 27 | 30% | 0.298 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -56.9 | -22.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A245 | A245-A247 PolarHBondContact O-N 3.47Š|
| 248 | F | 90.3 | Very high | 88.5 | Confident | 78 Ų | 78 | 29.6 Ų | 29.6 | 34% | 0.342 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -98 | 6.3 | 178.9 | -53.4 | -66.9 | 0 | 0 | 0 | 113.6 | R128 N129 N244 A245 P246 | R128-F248 HydrophobicContact CG-CE2 4.47Å; N129-F248 VanDerWaalsContact OD1-CD2 3.26Å; N129-F248 WeakPolarHBondContact OD1-CD2 3.31Å; N129-F248 WeakPolarHBondContact OD1-CE2 3.45Å; N244-F248 HydrophobicContact CB-CB 4.25Å; N244-F248 HydrophobicContact CB-CD2 3.99Å; N244-F248 HydrophobicContact CB-CG 4.5Å; A245-F248 HydrophobicContact CB-CD2 3.95Å; A245-F248 HydrophobicContact CB-CE2 4Å; A245-F248 WeakPolarHBondContact O-CD2 3.4Å; A245-F248 PolarHBondContact O-N 3.14Å; P246-F248 PolarHBondContact O-N 2.88Å; P246-F248 VanDerWaalsContact O-N 3.09Å |
| 249 | L | 92.4 | Very high | 88 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.1 | -179.9 | -63.2 | -175.4 | 0 | 0 | 0 | 113.7 | H243 P246 F251 H424 Y427 L525 | H243-L249 HydrophobicContact CB-CD2 4.18Å; P246-L249 WeakPolarHBondContact O-CB 3.35Å; P246-L249 PolarHBondContact O-N 2.57Å; L249-F251 HydrophobicContact CB-CD2 4.06Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CB-CZ 4.23Å; L249-F251 HydrophobicContact CD1-CE2 3.83Å; L249-F251 HydrophobicContact CD1-CZ 4.25Å; L249-F251 HydrophobicContact CG-CE2 4.3Å; L249-H424 PolarHBondContact O-NE2 3.44Å; L249-Y427 HydrophobicContact CD2-CE1 3.79Å; L249-L525 HydrophobicContact CD1-CD1 3.64Å |
| 250 | G | 93.3 | Very high | 87.9 | Confident | 43 Ų | 43 | 30.1 Ų | 30.1 | 44% | 0.443 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 27 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 251 | F | 93.9 | Very high | 88 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | trans | -70.3 | 145.2 | 171.9 | -64.9 | -64.8 | 0 | 0 | 0 | 112 | P246 L249 L485 M488 L525 K527 | P246-F251 HydrophobicContact CB-CD2 4.02Å; P246-F251 HydrophobicContact CB-CE2 3.88Å; P246-F251 VanDerWaalsContact O-CD2 3.28Å; P246-F251 WeakPolarHBondContact O-CD2 3.45Å; L249-F251 HydrophobicContact CB-CD2 4.06Å; L249-F251 HydrophobicContact CB-CE2 3.65Å; L249-F251 HydrophobicContact CB-CZ 4.23Å; L249-F251 HydrophobicContact CD1-CE2 3.83Å; L249-F251 HydrophobicContact CD1-CZ 4.25Å; L249-F251 HydrophobicContact CG-CE2 4.3Å; F251-L485 WeakPolarHBondContact CA-O 3.48Å; F251-L485 HydrophobicContact CD1-CD2 4Å; F251-L485 HydrophobicContact CD1-CG 3.78Å; F251-L485 HydrophobicContact CE1-CD2 3.75Å; F251-L485 HydrophobicContact CE1-CG 3.79Å; F251-M488 HydrophobicContact CE1-CB 3.71Å; F251-M488 HydrophobicContact CZ-CB 3.66Å; F251-L525 HydrophobicContact CE2-CD1 3.89Å; F251-L525 HydrophobicContact CZ-CD1 3.77Å; F251-L525 HydrophobicContact CZ-CG 4.23Å; F251-K527 HydrophobicContact CB-CB 3.7Å; F251-K527 HydrophobicContact CB-CG 4.39Å | ||
| 252 | E | 90.7 | Very high | 88.1 | Confident | 74 Ų | 74 | 29.3 Ų | 29.3 | 35% | 0.346 | 18% | 0.179 | S | C | . | . | trans | -114.7 | 156.2 | 176.6 | -58.3 | -151.7 | -114 | 0 | 0 | 110.9 | R484 L485 L486 | E252-R484 HydrophobicContact CB-CB 4.04Å; E252-R484 HydrophobicContact CG-CB 4.25Å; E252-R484 WeakPolarHBondContact OE1-CB 3.34Å; E252-R484 VanDerWaalsContact OE1-CG 3.23Å; E252-R484 WeakPolarHBondContact OE1-CG 3.49Å; E252-R484 IonicContact OE1-NE 3.97Å; E252-R484 PolarHBondContact OE1-NE 2.9Å; E252-R484 IonicContact OE2-CZ 3.97Å; E252-R484 IonicContact OE2-NE 3.53Å; E252-R484 PolarHBondContact OE2-NE 2.85Å; E252-R484 IonicContact OE2-NH2 2.92Å; E252-R484 PolarHBondContact OE2-NH2 3.24Å; E252-L485 PolarHBondContact N-O 3.38Å; E252-L486 WeakPolarHBondContact O-CD2 3.4Å | ||
| 253 | S | 83.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | trans | -79.3 | 140 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | D255 | S253-D255 PolarHBondContact O-N 2.81Š| ||
| 254 | Q | 81.7 | Confident | 88.4 | Confident | 39 Ų | 39 | 30.2 Ų | 30.2 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | trans | -65.3 | 127.8 | 170.5 | -179.7 | 166.1 | -8.1 | 0 | 0 | 109.7 | L256 Y461 L486 T606 | Q254-L256 HydrophobicContact CG-CD2 4.28Å; Q254-L256 PolarHBondContact O-N 3.46Å; Q254-L256 VanDerWaalsContact O-N 3.13Å; Q254-Y461 PolarHBondContact NE2-OH 3.16Å; Q254-L486 HydrophobicContact CB-CD1 4.39Å; Q254-T606 PolarHBondContact OE1-O 2.88Å | ||
| 255 | D | 81.1 | Confident | 88.5 | Confident | 63 Ų | 63 | 28.5 Ų | 28.5 | 34% | 0.337 | 17% | 0.172 | S | C | . | . | trans | -77.9 | 99.9 | 175.8 | -178.5 | 14.3 | 0 | 0 | 0 | 110.7 | S253 A257 C258 | S253-D255 PolarHBondContact O-N 2.81Å; D255-A257 PolarHBondContact O-N 3.19Å; D255-A257 WeakPolarHBondContact OD1-CB 3.26Å; D255-A257 PolarHBondContact OD1-N 3.49Å; D255-C258 PolarHBondContact O-N 3.32Å; D255-C258 PolarHBondContact OD2-SG 3.27Å | ||
| 256 | L | 82.1 | Confident | 88.6 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -71.8 | -16.5 | 177.8 | -59.2 | -179.7 | 0 | 0 | 0 | 112.7 | Q254 C258 I259 S374 A375 T606 | Q254-L256 HydrophobicContact CG-CD2 4.28Å; Q254-L256 PolarHBondContact O-N 3.46Å; Q254-L256 VanDerWaalsContact O-N 3.13Å; L256-C258 PolarHBondContact O-N 3.18Å; L256-I259 HydrophobicContact CB-CD1 3.88Å; L256-I259 HydrophobicContact CD2-CD1 3.67Å; L256-I259 HydrophobicContact CG-CD1 4.33Å; L256-I259 WeakPolarHBondContact O-CB 3.33Å; L256-I259 WeakPolarHBondContact O-CD1 3.41Å; L256-I259 VanDerWaalsContact O-CG1 3.29Å; L256-I259 WeakPolarHBondContact O-CG1 3.31Å; L256-I259 PolarHBondContact O-N 3.44Å; L256-I259 VanDerWaalsContact O-N 3.16Å; L256-S374 WeakPolarHBondContact CD1-O 3.43Å; L256-A375 HydrophobicContact CD1-CB 4.38Å; L256-T606 HydrophobicContact CD2-CG2 4.41Å |
| 257 | A | 76.7 | Confident | 88.6 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -64.1 | -30 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D255 I259 R331 | D255-A257 PolarHBondContact O-N 3.19Å; D255-A257 WeakPolarHBondContact OD1-CB 3.26Å; D255-A257 PolarHBondContact OD1-N 3.49Å; A257-I259 PolarHBondContact O-N 2.88Å; A257-R331 PolarHBondContact O-NE 3.14Å; A257-R331 PolarHBondContact O-NH2 3.4Å |
| 258 | C | 76.6 | Confident | 88.8 | Confident | 58 Ų | 58 | 29.3 Ų | 29.3 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -75.9 | -0.5 | 178.2 | -71.4 | 0 | 0 | 0 | 0 | 114.4 | D255 L256 S260 | D255-C258 PolarHBondContact O-N 3.32Å; D255-C258 PolarHBondContact OD2-SG 3.27Å; L256-C258 PolarHBondContact O-N 3.18Å; C258-S260 PolarHBondContact O-N 3.42Å |
| 259 | I | 85.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -66 | 119.5 | 177.8 | -67.4 | 166.2 | 0 | 0 | 0 | 109.9 | L256 A257 Y261 F329 R331 V401 L403 T606 | L256-I259 HydrophobicContact CB-CD1 3.88Å; L256-I259 HydrophobicContact CD2-CD1 3.67Å; L256-I259 HydrophobicContact CG-CD1 4.33Å; L256-I259 WeakPolarHBondContact O-CB 3.33Å; L256-I259 WeakPolarHBondContact O-CD1 3.41Å; L256-I259 VanDerWaalsContact O-CG1 3.29Å; L256-I259 WeakPolarHBondContact O-CG1 3.31Å; L256-I259 PolarHBondContact O-N 3.44Å; L256-I259 VanDerWaalsContact O-N 3.16Å; A257-I259 PolarHBondContact O-N 2.88Å; I259-Y261 VanDerWaalsContact CG2-O 3.28Å; I259-Y261 WeakPolarHBondContact CG2-O 3.38Å; I259-F329 HydrophobicContact CG2-CE2 4.15Å; I259-F329 HydrophobicContact CG2-CZ 3.7Å; I259-R331 WeakPolarHBondContact O-CD 3.26Å; I259-R331 PolarHBondContact O-NE 2.88Å; I259-V401 HydrophobicContact CD1-CG1 4.22Å; I259-L403 HydrophobicContact CB-CD2 4.31Å; I259-L403 HydrophobicContact CD1-CD1 4.47Å; I259-L403 HydrophobicContact CD1-CD2 3.84Å; I259-L403 HydrophobicContact CG1-CD1 4.43Å; I259-L403 HydrophobicContact CG1-CD2 3.95Å; I259-L403 HydrophobicContact CG2-CD2 3.37Å; I259-T606 HydrophobicContact CD1-CG2 4.48Å | ||
| 260 | S | 90.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 26.5 Ų | 26.5 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | trans | -93.2 | -24.1 | -176.5 | 72.4 | 0 | 0 | 0 | 0 | 114 | C258 E330 R331 D457 | C258-S260 PolarHBondContact O-N 3.42Å; S260-E330 CarbonylContact O-C 3.59Å; S260-E330 WeakPolarHBondContact O-CA 3.43Å; S260-R331 PolarHBondContact O-N 3.17Å; S260-D457 WeakPolarHBondContact OG-CB 3.14Å; S260-D457 VanDerWaalsContact OG-CG 3.26Å; S260-D457 PolarHBondContact OG-OD2 2.94Å | ||
| 261 | Y | 93.7 | Very high | 88.8 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 164.1 | 178 | 70.6 | -87 | 0 | 0 | 0 | 111.6 | I259 F329 N404 R405 D454 R456 D457 | I259-Y261 VanDerWaalsContact CG2-O 3.28Å; I259-Y261 WeakPolarHBondContact CG2-O 3.38Å; Y261-F329 VanDerWaalsContact CA-O 3.27Å; Y261-F329 WeakPolarHBondContact CA-O 3.14Å; Y261-F329 WeakPolarHBondContact CB-O 3.11Å; Y261-N404 WeakPolarHBondContact CE2-O 3.48Å; Y261-R405 WeakPolarHBondContact OH-CA 3.23Å; Y261-D454 VanDerWaalsContact OH-CG 3.24Å; Y261-D454 PolarHBondContact OH-OD1 3.29Å; Y261-D454 PolarHBondContact OH-OD2 3.41Å; Y261-R456 HydrophobicContact CD1-CB 4.45Å; Y261-R456 VanDerWaalsContact CD2-NH1 3.34Å; Y261-R456 HydrophobicContact CE1-CB 3.76Å; Y261-R456 HydrophobicContact CE1-CG 4.47Å; Y261-R456 WeakPolarHBondContact OH-CD 3.31Å; Y261-D457 HydrophobicContact CD1-CB 4.29Å; Y261-D457 HydrophobicContact CE1-CB 4.09Å |
| 262 | G | 93.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 28 Ų | 28 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.7 | -156.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P328 F329 N402 | G262-P328 CarbonylContact O-C 3.59Å; G262-P328 WeakPolarHBondContact O-CA 3.33Å; G262-F329 VanDerWaalsContact C-CD1 3.47Å; G262-F329 VanDerWaalsContact C-CE1 3.45Å; G262-F329 PolarHBondContact N-O 2.84Å; G262-F329 VanDerWaalsContact N-O 3.07Å; G262-F329 VanDerWaalsContact O-CD1 3.31Å; G262-F329 WeakPolarHBondContact O-CD1 3.44Å; G262-F329 PolarHBondContact O-N 2.96Å; G262-N402 CarbonylContact C-O 3.6Å; G262-N402 WeakPolarHBondContact CA-O 3.45Å |
| 263 | D | 93 | Very high | 88.2 | Confident | 29 Ų | 29 | 28.2 Ų | 28.2 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.4 | 172.6 | -71.4 | -57.3 | 0 | 0 | 0 | 109.9 | K326 P328 N402 | D263-K326 HydrophobicContact CB-CG 4.39Å; D263-K326 WeakPolarHBondContact OD1-CE 3.16Å; D263-K326 IonicContact OD1-NZ 3.4Å; D263-K326 WeakPolarHBondContact OD2-CE 3.48Å; D263-K326 IonicContact OD2-NZ 3.6Å; D263-K326 PolarHBondContact OD2-NZ 2.89Å; D263-P328 WeakPolarHBondContact OD1-CA 3.33Å; D263-N402 PolarHBondContact N-O 2.89Å; D263-N402 PolarHBondContact O-N 3.2Å |
| 264 | I | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 123.9 | 164.2 | -71.3 | 162.5 | 0 | 0 | 0 | 107.6 | V266 K326 F327 F329 L363 L366 L367 T399 V401 | I264-V266 HydrophobicContact CG2-CG2 4.28Å; I264-K326 WeakPolarHBondContact O-CA 3.5Å; I264-F327 HydrophobicContact CB-CD2 4.2Å; I264-F327 HydrophobicContact CB-CE2 3.77Å; I264-F327 HydrophobicContact CB-CZ 3.94Å; I264-F327 HydrophobicContact CD1-CE2 3.79Å; I264-F327 HydrophobicContact CD1-CZ 4.35Å; I264-F327 HydrophobicContact CG1-CE2 4.37Å; I264-F327 HydrophobicContact CG2-CE1 4.1Å; I264-F327 HydrophobicContact CG2-CE2 3.98Å; I264-F327 HydrophobicContact CG2-CZ 3.61Å; I264-F327 PolarHBondContact N-O 2.91Å; I264-F327 PolarHBondContact O-N 3.17Å; I264-F329 HydrophobicContact CD1-CB 4.22Å; I264-F329 HydrophobicContact CD1-CD1 3.97Å; I264-F329 HydrophobicContact CD1-CG 4.19Å; I264-F329 HydrophobicContact CG1-CD1 3.67Å; I264-F329 HydrophobicContact CG1-CE1 4.07Å; I264-F329 HydrophobicContact CG1-CG 4.38Å; I264-L363 HydrophobicContact CD1-CD1 3.61Å; I264-L366 HydrophobicContact CD1-CB 4.01Å; I264-L366 HydrophobicContact CD1-CD1 4.36Å; I264-L367 HydrophobicContact CD1-CD2 4.16Å; I264-L367 HydrophobicContact CG1-CD2 4.25Å; I264-T399 HydrophobicContact CG2-CG2 4Å; I264-V401 HydrophobicContact CG1-CG2 4.5Å |
| 265 | H | 93.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 11% | 0.106 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.3 | 169.3 | -76.7 | -111.1 | 0 | 0 | 0 | 108.3 | P267 S323 K326 T399 S400 N402 | H265-P267 WeakPolarHBondContact O-CD 3.39Å; H265-S323 WeakPolarHBondContact CB-OG 3.37Å; H265-S323 PolarHBondContact ND1-OG 3.29Å; H265-S323 VanDerWaalsContact ND1-OG 3.12Å; H265-K326 VanDerWaalsContact NE2-CE 3.33Å; H265-K326 WeakPolarHBondContact NE2-CE 3.45Å; H265-T399 CarbonylContact O-C 3.55Å; H265-T399 VanDerWaalsContact O-CA 3.28Å; H265-T399 WeakPolarHBondContact O-CA 3.46Å; H265-S400 WeakPolarHBondContact CB-O 3.46Å; H265-S400 WeakPolarHBondContact CB-OG 3.38Å; H265-S400 PolarHBondContact N-O 2.63Å; H265-S400 PolarHBondContact O-N 3.45Å; H265-N402 PolarHBondContact CD2-ND2 3.41Å; H265-N402 PolarHBondContact NE2-ND2 3.12Å; H265-N402 VanDerWaalsContact NE2-ND2 3.13Å |
| 266 | V | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 100.1 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | I264 I269 S323 I324 V325 F327 V397 T398 | I264-V266 HydrophobicContact CG2-CG2 4.28Å; V266-I269 HydrophobicContact CG1-CD1 4.05Å; V266-I269 HydrophobicContact CG1-CG1 3.66Å; V266-S323 WeakPolarHBondContact O-CA 3.4Å; V266-I324 HydrophobicContact CG1-CG1 4.36Å; V266-I324 VanDerWaalsContact O-CG1 3.22Å; V266-I324 WeakPolarHBondContact O-CG1 3.32Å; V266-I324 PolarHBondContact O-N 3.02Å; V266-V325 HydrophobicContact CB-CB 3.99Å; V266-V325 HydrophobicContact CG2-CB 4.22Å; V266-V325 HydrophobicContact CG2-CG1 4.19Å; V266-V325 PolarHBondContact N-O 2.8Å; V266-V325 PolarHBondContact O-N 3.23Å; V266-F327 HydrophobicContact CG2-CE1 3.98Å; V266-V397 HydrophobicContact CG1-CG1 3.72Å; V266-V397 HydrophobicContact CG2-CG1 4.15Å; V266-T398 WeakPolarHBondContact CA-O 3.36Å; V266-T398 WeakPolarHBondContact CG1-O 3.28Å |
| 267 | P | 91.5 | Very high | 86.8 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 19% | 0.188 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -42.7 | 174.8 | -24.2 | 36.4 | 0 | 0 | 0 | 112 | H265 P315 T398 | H265-P267 WeakPolarHBondContact O-CD 3.39Å; P267-P315 WeakPolarHBondContact O-CD 3.49Å; P267-T398 WeakPolarHBondContact CD-O 3.43Å |
| 268 | S | 93.3 | Very high | 86.9 | Confident | 30 Ų | 30 | 32.4 Ų | 32.4 | 21% | 0.21 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.6 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | W313 T398 | S268-W313 WeakPolarHBondContact CA-O 3.32Å; S268-T398 WeakPolarHBondContact O-CB 3.47Å; S268-T398 PolarHBondContact O-N 3.41Å; S268-T398 VanDerWaalsContact OG-CB 3.26Å; S268-T398 WeakPolarHBondContact OG-CB 3.48Å; S268-T398 PolarHBondContact OG-OG1 3.37Å |
| 269 | I | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.2 | 170.5 | -62.6 | 164.7 | 0 | 0 | 0 | 107.8 | V266 L283 L285 F295 V312 W313 I324 V395 N396 V397 | V266-I269 HydrophobicContact CG1-CD1 4.05Å; V266-I269 HydrophobicContact CG1-CG1 3.66Å; I269-L283 HydrophobicContact CG2-CD2 4.02Å; I269-L285 HydrophobicContact CD1-CD1 4.16Å; I269-L285 HydrophobicContact CD1-CD2 3.47Å; I269-L285 VanDerWaalsContact CD1-CD2 3.47Å; I269-L285 HydrophobicContact CD1-CG 4.44Å; I269-F295 HydrophobicContact CD1-CE2 3.76Å; I269-F295 HydrophobicContact CD1-CZ 4.38Å; I269-V312 CarbonylContact O-C 3.53Å; I269-V312 WeakPolarHBondContact O-CA 3.38Å; I269-W313 HydrophobicContact CB-CE3 4.24Å; I269-W313 HydrophobicContact CG2-CE3 4.09Å; I269-W313 HydrophobicContact CG2-CZ3 4.43Å; I269-W313 PolarHBondContact N-O 2.86Å; I269-W313 PolarHBondContact O-N 3.13Å; I269-I324 HydrophobicContact CB-CD1 4.48Å; I269-I324 HydrophobicContact CD1-CD1 3.93Å; I269-I324 HydrophobicContact CG1-CD1 4.06Å; I269-V395 HydrophobicContact CG2-CG1 3.66Å; I269-N396 WeakPolarHBondContact CA-O 3.48Å; I269-V397 HydrophobicContact CG1-CG1 4.32Å; I269-V397 HydrophobicContact CG1-CG2 4.45Å |
| 270 | S | 92.7 | Very high | 87.4 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.6 | 175.4 | 155.6 | 0 | 0 | 0 | 0 | 109.4 | K272 L311 V395 N396 | S270-K272 WeakPolarHBondContact OG-CE 3.35Å; S270-L311 CarbonylContact C-O 3.52Å; S270-L311 WeakPolarHBondContact CA-O 3.48Å; S270-V395 CarbonylContact O-C 3.51Å; S270-V395 WeakPolarHBondContact O-CA 3.48Å; S270-N396 PolarHBondContact N-O 3.32Å; S270-N396 PolarHBondContact O-N 3.27Å |
| 271 | L | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.4 | 172 | 175.5 | 71.4 | 0 | 0 | 0 | 109.5 | I274 L281 S310 L311 W313 L341 L383 A393 K394 V395 | L271-I274 HydrophobicContact CB-CD1 4.3Å; L271-I274 HydrophobicContact CD1-CG1 4.27Å; L271-I274 HydrophobicContact CD2-CD1 3.41Å; L271-I274 VanDerWaalsContact CD2-CD1 3.41Å; L271-I274 HydrophobicContact CD2-CG1 3.71Å; L271-I274 HydrophobicContact CG-CD1 3.54Å; L271-I274 HydrophobicContact CG-CG1 3.54Å; L271-L281 HydrophobicContact CD2-CD1 3.76Å; L271-L281 HydrophobicContact CD2-CD2 4.34Å; L271-S310 CarbonylContact O-C 3.55Å; L271-S310 WeakPolarHBondContact O-CA 3.27Å; L271-L311 HydrophobicContact CB-CB 4.41Å; L271-L311 HydrophobicContact CD2-CD1 4.49Å; L271-L311 PolarHBondContact N-O 2.72Å; L271-L311 PolarHBondContact O-N 2.72Å; L271-W313 HydrophobicContact CB-CH2 4.24Å; L271-W313 HydrophobicContact CB-CZ3 3.73Å; L271-W313 HydrophobicContact CD2-CH2 4.01Å; L271-W313 HydrophobicContact CD2-CZ3 4.32Å; L271-L341 HydrophobicContact CD1-CD2 3.79Å; L271-L341 HydrophobicContact CD2-CD1 4.04Å; L271-L341 HydrophobicContact CD2-CD2 3.94Å; L271-L383 HydrophobicContact CD1-CD1 4.36Å; L271-A393 HydrophobicContact CD1-CB 4.03Å; L271-K394 CarbonylContact C-O 3.55Å; L271-K394 WeakPolarHBondContact CA-O 3.42Å; L271-V395 HydrophobicContact CB-CG2 4.44Å; L271-V395 HydrophobicContact CD1-CG2 3.33Å; L271-V395 HydrophobicContact CG-CG2 4.44Å |
| 272 | K | 88.7 | Confident | 87.3 | Confident | 88 Ų | 88 | 36.9 Ų | 36.9 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 167.3 | -177.8 | -63.3 | 179.7 | 179.9 | 175.5 | 0 | 110.1 | S270 I274 K394 | S270-K272 WeakPolarHBondContact OG-CE 3.35Å; K272-I274 PolarHBondContact O-N 3.47Å; K272-K394 HydrophobicContact CB-CB 4.4Å; K272-K394 PolarHBondContact N-O 2.84Å; K272-K394 PolarHBondContact O-N 3.27Å |
| 273 | D | 83.8 | Confident | 87.3 | Confident | 78 Ų | 78 | 36.6 Ų | 36.6 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 54.8 | 40.2 | 176.8 | -55.5 | -25.1 | 0 | 0 | 0 | 112.1 | A393 K394 | D273-A393 WeakPolarHBondContact O-CA 3.34Å; D273-K394 WeakPolarHBondContact OD2-CD 3.32Å; D273-K394 VanDerWaalsContact OD2-CE 3.25Å; D273-K394 WeakPolarHBondContact OD2-CE 3.48Å; D273-K394 IonicContact OD2-NZ 3.99Å; D273-K394 PolarHBondContact OD2-NZ 3.49Å; D273-K394 VanDerWaalsContact OD2-NZ 3.12Å |
| 274 | I | 79.6 | Confident | 87.4 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | trans | -75.8 | 136.1 | -173.5 | -51.7 | 173.8 | 0 | 0 | 0 | 110.3 | L271 K272 V276 L281 F309 L311 I343 | L271-I274 HydrophobicContact CB-CD1 4.3Å; L271-I274 HydrophobicContact CD1-CG1 4.27Å; L271-I274 HydrophobicContact CD2-CD1 3.41Å; L271-I274 VanDerWaalsContact CD2-CD1 3.41Å; L271-I274 HydrophobicContact CD2-CG1 3.71Å; L271-I274 HydrophobicContact CG-CD1 3.54Å; L271-I274 HydrophobicContact CG-CG1 3.54Å; K272-I274 PolarHBondContact O-N 3.47Å; I274-V276 HydrophobicContact CB-CG1 4.46Å; I274-V276 PolarHBondContact O-N 3.44Å; I274-L281 HydrophobicContact CD1-CD1 4.27Å; I274-L281 HydrophobicContact CG2-CD1 3.92Å; I274-F309 HydrophobicContact CD1-CD1 3.99Å; I274-F309 HydrophobicContact CD1-CE1 3.98Å; I274-L311 HydrophobicContact CD1-CB 4.29Å; I274-L311 HydrophobicContact CD1-CD1 3.82Å; I274-L311 HydrophobicContact CD1-CG 3.98Å; I274-I343 HydrophobicContact CG2-CD1 3.99Å | ||
| 275 | P | 74.6 | Confident | 87.6 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.078 | 18% | 0.183 | C | C | . | . | trans | -64.5 | 97.4 | 164 | -16.9 | 28.9 | 0 | 0 | 0 | 110.5 | Q277 I343 L357 F391 | P275-Q277 PolarHBondContact O-N 2.9Å; P275-Q277 VanDerWaalsContact O-N 3.09Å; P275-I343 HydrophobicContact CB-CD1 4.12Å; P275-I343 HydrophobicContact CG-CD1 3.96Å; P275-L357 HydrophobicContact CG-CD1 4.16Å; P275-F391 HydrophobicContact CB-CD1 4.01Å; P275-F391 HydrophobicContact CG-CB 4.19Å; P275-F391 HydrophobicContact CG-CD1 4.11Å; P275-F391 HydrophobicContact CG-CG 4.41Å | ||
| 276 | V | 71.6 | Confident | 87.7 | Confident | 67 Ų | 67 | 38 Ų | 38 | 41% | 0.406 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 21.9 | -175.3 | -68 | 0 | 0 | 0 | 0 | 113.9 | I274 R278 V304 F309 | I274-V276 HydrophobicContact CB-CG1 4.46Å; I274-V276 PolarHBondContact O-N 3.44Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 3.32Å; V276-V304 HydrophobicContact CB-CB 4.41Å; V276-V304 HydrophobicContact CB-CG1 4.25Å; V276-V304 HydrophobicContact CG1-CB 4.14Å; V276-V304 HydrophobicContact CG1-CG1 3.58Å; V276-V304 HydrophobicContact CG2-CG1 4.45Å; V276-F309 HydrophobicContact CG1-CD1 4.34Å |
| 277 | Q | 72.6 | Confident | 87.8 | Confident | 115 Ų | 115 | 38.7 Ų | 38.7 | 54% | 0.537 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.2 | -171.7 | -65.1 | 160.8 | -18 | 0 | 0 | 113.6 | P275 | P275-Q277 PolarHBondContact O-N 2.9Å; P275-Q277 VanDerWaalsContact O-N 3.09Å |
| 278 | R | 79.7 | Confident | 87.9 | Confident | 66 Ų | 66 | 38.4 Ų | 38.4 | 25% | 0.249 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -132.8 | 156.5 | -176.9 | -49.9 | -69.6 | 172.9 | 177.9 | 0.8 | 110.9 | V276 I343 D345 D353 | V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 3.32Å; R278-I343 HydrophobicContact CB-CG2 3.52Å; R278-I343 HydrophobicContact CG-CG2 3.74Å; R278-D345 WeakPolarHBondContact CA-OD1 3.24Å; R278-D345 WeakPolarHBondContact CB-OD1 3.48Å; R278-D345 VanDerWaalsContact CD-CG 3.42Å; R278-D345 WeakPolarHBondContact CD-OD1 3.4Å; R278-D345 WeakPolarHBondContact CD-OD2 3.44Å; R278-D345 IonicContact CZ-OD2 3.89Å; R278-D345 IonicContact NE-OD2 3.75Å; R278-D345 IonicContact NH1-OD2 3.78Å; R278-D345 PolarHBondContact NH1-OD2 3.48Å; R278-D353 IonicContact CZ-OD2 3.54Å; R278-D353 IonicContact NH1-OD2 2.89Å; R278-D353 PolarHBondContact NH1-OD2 3.05Å; R278-D353 VanDerWaalsContact NH2-CB 3.25Å; R278-D353 IonicContact NH2-OD2 3.86Å; R278-D353 PolarHBondContact NH2-OD2 3.3Å |
| 279 | E | 83.8 | Confident | 87.9 | Confident | 97 Ų | 97 | 45.3 Ų | 45.3 | 45% | 0.453 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -81.2 | -31.7 | -171.2 | -65 | 178.2 | 174.1 | 0 | 0 | 113.9 | L299 D345 | E279-L299 WeakPolarHBondContact O-CB 3.44Å; E279-L299 PolarHBondContact O-N 3.12Å; E279-D345 PolarHBondContact N-OD1 3.42Å; E279-D345 VanDerWaalsContact N-OD1 3.11Å |
| 280 | Q | 88 | Confident | 87.9 | Confident | 36 Ų | 36 | 53 Ų | 53 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.5 | -173.7 | -57 | -68.1 | -46.9 | 0 | 0 | 111.7 | D298 I343 F344 K346 | Q280-D298 PolarHBondContact NE2-OD2 3.16Å; Q280-I343 WeakPolarHBondContact O-CA 3.17Å; Q280-F344 WeakPolarHBondContact CA-O 3.5Å; Q280-F344 HydrophobicContact CB-CD1 4.36Å; Q280-F344 HydrophobicContact CB-CD2 3.95Å; Q280-F344 HydrophobicContact CB-CE1 4.05Å; Q280-F344 HydrophobicContact CB-CE2 3.62Å; Q280-F344 HydrophobicContact CB-CG 4.31Å; Q280-F344 HydrophobicContact CB-CZ 3.67Å; Q280-F344 VanDerWaalsContact CB-O 3.27Å; Q280-F344 WeakPolarHBondContact CB-O 3.27Å; Q280-F344 HydrophobicContact CG-CD2 4.47Å; Q280-F344 HydrophobicContact CG-CE2 4.04Å; Q280-F344 HydrophobicContact CG-CZ 4.44Å; Q280-F344 PolarHBondContact N-O 3.16Å; Q280-F344 PolarHBondContact O-N 2.98Å; Q280-K346 HydrophobicContact CG-CB 4.03Å |
| 281 | L | 90.3 | Very high | 88 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.4 | 178 | -173.8 | 147.9 | 0 | 0 | 0 | 110.5 | L271 I274 L283 N296 A297 L299 L311 W313 L341 | L271-L281 HydrophobicContact CD2-CD1 3.76Å; L271-L281 HydrophobicContact CD2-CD2 4.34Å; I274-L281 HydrophobicContact CD1-CD1 4.27Å; I274-L281 HydrophobicContact CG2-CD1 3.92Å; L281-L283 HydrophobicContact CD2-CB 4.5Å; L281-N296 CarbonylContact O-C 3.59Å; L281-N296 VanDerWaalsContact O-CA 3.29Å; L281-N296 WeakPolarHBondContact O-CA 3.21Å; L281-A297 HydrophobicContact CB-CB 4.35Å; L281-A297 HydrophobicContact CD2-CB 4.37Å; L281-A297 PolarHBondContact N-O 3.04Å; L281-A297 PolarHBondContact O-N 2.96Å; L281-L299 HydrophobicContact CD1-CD1 4.43Å; L281-L311 HydrophobicContact CD1-CD1 3.78Å; L281-L311 HydrophobicContact CD2-CD1 4.27Å; L281-W313 HydrophobicContact CD2-CH2 3.87Å; L281-W313 HydrophobicContact CD2-CZ2 3.94Å; L281-L341 HydrophobicContact CD1-CD1 3.82Å; L281-L341 HydrophobicContact CD2-CD1 3.76Å; L281-L341 HydrophobicContact CG-CD1 3.56Å |
| 282 | R | 92.8 | Very high | 88.1 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 23% | 0.226 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.2 | 172.7 | 175.9 | 179 | -66.1 | 175.4 | 2 | 111.2 | K284 T294 F295 N296 E342 F344 | R282-K284 HydrophobicContact CG-CG 4.23Å; R282-T294 HydrophobicContact CG-CG2 3.54Å; R282-F295 CarbonylContact C-O 3.59Å; R282-F295 WeakPolarHBondContact CA-O 3.4Å; R282-N296 WeakPolarHBondContact CG-OD1 3.45Å; R282-N296 PolarHBondContact NE-OD1 3.17Å; R282-E342 HydrophobicContact CB-CB 4.19Å; R282-E342 WeakPolarHBondContact CD-OE2 3.49Å; R282-E342 PolarHBondContact N-O 2.74Å; R282-E342 PolarHBondContact O-N 3.26Å; R282-F344 HydrophobicContact CB-CE1 4.21Å |
| 283 | L | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.7 | 176.9 | -168 | 74.4 | 0 | 0 | 0 | 109.9 | I269 L281 L285 T294 F295 W313 V339 E340 L341 | I269-L283 HydrophobicContact CG2-CD2 4.02Å; L281-L283 HydrophobicContact CD2-CB 4.5Å; L283-L285 HydrophobicContact CD2-CD1 3.94Å; L283-L285 HydrophobicContact CG-CD1 3.94Å; L283-T294 CarbonylContact O-C 3.53Å; L283-T294 VanDerWaalsContact O-CA 3.31Å; L283-T294 WeakPolarHBondContact O-CA 3.47Å; L283-F295 HydrophobicContact CB-CB 4.32Å; L283-F295 HydrophobicContact CD2-CD2 4.28Å; L283-F295 PolarHBondContact N-O 2.82Å; L283-F295 PolarHBondContact O-N 2.82Å; L283-W313 HydrophobicContact CB-CH2 4.3Å; L283-W313 HydrophobicContact CD2-CE3 4.07Å; L283-W313 HydrophobicContact CD2-CH2 3.99Å; L283-W313 HydrophobicContact CD2-CZ3 3.64Å; L283-V339 HydrophobicContact CD1-CG1 3.48Å; L283-V339 VanDerWaalsContact CD1-CG1 3.48Å; L283-V339 HydrophobicContact CG-CG1 4.13Å; L283-E340 CarbonylContact C-O 3.55Å; L283-E340 WeakPolarHBondContact CA-O 3.3Å; L283-L341 HydrophobicContact CD1-CB 4.03Å; L283-L341 HydrophobicContact CD1-CD1 4.1Å |
| 284 | K | 95.6 | Very high | 88.9 | Confident | 43 Ų | 43 | 57 Ų | 57 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | 176.6 | -55.2 | 176.2 | -165.3 | 156.3 | 0 | 109.9 | R282 T294 V339 E340 E342 | R282-K284 HydrophobicContact CG-CG 4.23Å; K284-T294 HydrophobicContact CG-CG2 4.05Å; K284-V339 WeakPolarHBondContact O-CA 3.22Å; K284-E340 HydrophobicContact CB-CB 4.28Å; K284-E340 PolarHBondContact N-O 2.92Å; K284-E340 IonicContact NZ-OE1 3.69Å; K284-E340 PolarHBondContact NZ-OE1 3.49Å; K284-E340 PolarHBondContact O-N 3.44Å; K284-E342 WeakPolarHBondContact CE-OE2 3.3Å; K284-E342 IonicContact NZ-OE1 3.64Å; K284-E342 PolarHBondContact NZ-OE1 3.14Å; K284-E342 IonicContact NZ-OE2 3.71Å; K284-E342 PolarHBondContact NZ-OE2 3.32Å |
| 285 | L | 96 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.9 | 173.8 | -79.8 | 72.5 | 0 | 0 | 0 | 109.1 | I269 L283 V292 T293 F295 L337 V339 | I269-L285 HydrophobicContact CD1-CD1 4.16Å; I269-L285 HydrophobicContact CD1-CD2 3.47Å; I269-L285 VanDerWaalsContact CD1-CD2 3.47Å; I269-L285 HydrophobicContact CD1-CG 4.44Å; L283-L285 HydrophobicContact CD2-CD1 3.94Å; L283-L285 HydrophobicContact CG-CD1 3.94Å; L285-V292 HydrophobicContact CB-CB 4.48Å; L285-V292 PolarHBondContact O-N 3.32Å; L285-T293 HydrophobicContact CB-CG2 4.17Å; L285-T293 HydrophobicContact CD1-CG2 4.4Å; L285-T293 HydrophobicContact CD2-CG2 4.47Å; L285-T293 PolarHBondContact N-O 3.03Å; L285-T293 PolarHBondContact O-N 3.26Å; L285-F295 HydrophobicContact CD1-CD2 4.03Å; L285-F295 HydrophobicContact CD1-CE2 3.93Å; L285-L337 HydrophobicContact CB-CD1 4.28Å; L285-L337 HydrophobicContact CD2-CD1 4.34Å; L285-L337 HydrophobicContact CG-CD1 4.44Å; L285-V339 HydrophobicContact CG-CG2 4.49Å |
| 286 | C | 96.1 | Very high | 90.3 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132 | 174.6 | -65 | 0 | 0 | 0 | 0 | 109.4 | K290 L337 T338 | C286-K290 CarbonylContact C-O 3.54Å; C286-K290 VanDerWaalsContact CA-O 3.3Å; C286-K290 WeakPolarHBondContact CA-O 3.36Å; C286-L337 CarbonylContact O-C 3.43Å; C286-L337 WeakPolarHBondContact O-CA 3.33Å; C286-T338 PolarHBondContact N-O 3.37Å; C286-T338 PolarHBondContact O-N 2.96Å |
| 287 | Y | 96.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.7 | 174.6 | -175 | -115 | 0 | 0 | 0 | 109 | N289 K290 F327 P328 F329 K335 D336 L337 L366 | Y287-N289 PolarHBondContact O-N 2.96Å; Y287-K290 PolarHBondContact N-O 2.66Å; Y287-K290 PolarHBondContact O-N 2.84Å; Y287-F327 HydrophobicContact CD1-CB 4.47Å; Y287-F327 AromaticContact CD1-CD2 3.54Å; Y287-F327 HydrophobicContact CD1-CD2 3.54Å; Y287-F327 HydrophobicContact CD1-CE2 4.11Å; Y287-F327 HydrophobicContact CD1-CG 4.25Å; Y287-F327 AromaticContact CD2-CD2 3.86Å; Y287-F327 HydrophobicContact CD2-CD2 3.86Å; Y287-F327 AromaticContact CD2-CE2 3.54Å; Y287-F327 HydrophobicContact CD2-CE2 3.54Å; Y287-F327 HydrophobicContact CD2-CZ 4.27Å; Y287-F327 AromaticContact CE1-CD2 3.79Å; Y287-F327 HydrophobicContact CE1-CD2 3.79Å; Y287-F327 HydrophobicContact CE1-CE2 4.23Å; Y287-F327 HydrophobicContact CE2-CD2 4.08Å; Y287-F327 AromaticContact CE2-CE2 3.68Å; Y287-F327 HydrophobicContact CE2-CE2 3.68Å; Y287-F327 AromaticContact CG-CD2 3.58Å; Y287-F327 HydrophobicContact CG-CD2 3.58Å; Y287-F327 AromaticContact CG-CE2 3.77Å; Y287-F327 HydrophobicContact CG-CE2 3.77Å; Y287-F327 HydrophobicContact CG-CG 4.24Å; Y287-P328 VanDerWaalsContact CE1-O 3.26Å; Y287-P328 WeakPolarHBondContact CE1-O 3.36Å; Y287-F329 WeakPolarHBondContact OH-CB 3.14Å; Y287-K335 HydrophobicContact CD1-CB 4.35Å; Y287-K335 HydrophobicContact CD1-CD 4.28Å; Y287-K335 HydrophobicContact CD2-CB 4.28Å; Y287-K335 HydrophobicContact CE1-CB 3.97Å; Y287-K335 HydrophobicContact CE1-CD 4.07Å; Y287-K335 HydrophobicContact CE2-CB 3.88Å; Y287-K335 WeakPolarHBondContact CE2-O 3.37Å; Y287-K335 HydrophobicContact CG-CB 4.5Å; Y287-D336 WeakPolarHBondContact CA-O 3.35Å; Y287-L337 HydrophobicContact CD2-CB 4.4Å; Y287-L366 HydrophobicContact CE2-CD1 4.43Å |
| 288 | G | 94.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -130.1 | -157.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K290 D336 | G288-K290 VanDerWaalsContact C-N 3.34Å; G288-D336 PolarHBondContact N-O 3.45Å |
| 289 | N | 92.3 | Very high | 91.8 | Very high | 175 Ų | 175 | 54.7 Ų | 54.7 | 94% | 0.936 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.1 | -178.5 | -60.9 | -13.1 | 0 | 0 | 0 | 113.8 | Y287 | Y287-N289 PolarHBondContact O-N 2.96Š|
| 290 | K | 93.9 | Very high | 91.3 | Very high | 161 Ų | 161 | 53.1 Ų | 53.1 | 70% | 0.7 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.2 | -177.7 | -68.5 | -172.4 | 177 | -175.3 | 0 | 110.2 | C286 Y287 G288 V292 | C286-K290 CarbonylContact C-O 3.54Å; C286-K290 VanDerWaalsContact CA-O 3.3Å; C286-K290 WeakPolarHBondContact CA-O 3.36Å; Y287-K290 PolarHBondContact N-O 2.66Å; Y287-K290 PolarHBondContact O-N 2.84Å; G288-K290 VanDerWaalsContact C-N 3.34Å; K290-V292 PolarHBondContact O-N 3.22Å |
| 291 | K | 94.5 | Very high | 90 | Very high | 150 Ų | 150 | 60.1 Ų | 60.1 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 122.1 | 168.5 | -172.9 | -175.1 | 72.4 | 176.6 | 0 | 109 | ||
| 292 | V | 92.7 | Very high | 88.7 | Confident | 44 Ų | 44 | 65 Ų | 65 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -50.6 | 177.9 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | L285 K290 V325 F327 | L285-V292 HydrophobicContact CB-CB 4.48Å; L285-V292 PolarHBondContact O-N 3.32Å; K290-V292 PolarHBondContact O-N 3.22Å; V292-V325 HydrophobicContact CB-CG1 4.39Å; V292-V325 HydrophobicContact CG1-CB 4.48Å; V292-V325 HydrophobicContact CG1-CG1 3.27Å; V292-F327 HydrophobicContact CG1-CD1 4.02Å; V292-F327 HydrophobicContact CG2-CD1 4.41Å |
| 293 | T | 94.1 | Very high | 86.8 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 170.2 | 177 | -165.2 | 0 | 0 | 0 | 0 | 112.8 | L285 F295 V325 | L285-T293 HydrophobicContact CB-CG2 4.17Å; L285-T293 HydrophobicContact CD1-CG2 4.4Å; L285-T293 HydrophobicContact CD2-CG2 4.47Å; L285-T293 PolarHBondContact N-O 3.03Å; L285-T293 PolarHBondContact O-N 3.26Å; T293-F295 HydrophobicContact CG2-CD2 4.03Å; T293-F295 HydrophobicContact CG2-CE1 4.39Å; T293-F295 HydrophobicContact CG2-CE2 3.3Å; T293-F295 HydrophobicContact CG2-CZ 3.51Å; T293-V325 HydrophobicContact CG2-CG2 3.29Å |
| 294 | T | 94.4 | Very high | 84.9 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 127.4 | 170.1 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | R282 L283 K284 | R282-T294 HydrophobicContact CG-CG2 3.54Å; L283-T294 CarbonylContact O-C 3.53Å; L283-T294 VanDerWaalsContact O-CA 3.31Å; L283-T294 WeakPolarHBondContact O-CA 3.47Å; K284-T294 HydrophobicContact CG-CG2 4.05Å |
| 295 | F | 92.4 | Very high | 82.5 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 14% | 0.136 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.9 | 172 | -55 | -77.4 | 0 | 0 | 0 | 109.8 | I269 R282 L283 L285 T293 W313 I324 V325 | I269-F295 HydrophobicContact CD1-CE2 3.76Å; I269-F295 HydrophobicContact CD1-CZ 4.38Å; R282-F295 CarbonylContact C-O 3.59Å; R282-F295 WeakPolarHBondContact CA-O 3.4Å; L283-F295 HydrophobicContact CB-CB 4.32Å; L283-F295 HydrophobicContact CD2-CD2 4.28Å; L283-F295 PolarHBondContact N-O 2.82Å; L283-F295 PolarHBondContact O-N 2.82Å; L285-F295 HydrophobicContact CD1-CD2 4.03Å; L285-F295 HydrophobicContact CD1-CE2 3.93Å; T293-F295 HydrophobicContact CG2-CD2 4.03Å; T293-F295 HydrophobicContact CG2-CE1 4.39Å; T293-F295 HydrophobicContact CG2-CE2 3.3Å; T293-F295 HydrophobicContact CG2-CZ 3.51Å; F295-W313 HydrophobicContact CB-CD2 4.29Å; F295-W313 HydrophobicContact CB-CG 4.41Å; F295-W313 HydrophobicContact CB-CZ2 4.13Å; F295-W313 HydrophobicContact CD1-CB 4.48Å; F295-W313 AromaticContact CD1-CD1 3.64Å; F295-W313 HydrophobicContact CD1-CG 4.02Å; F295-W313 HydrophobicContact CE1-CB 4.44Å; F295-W313 HydrophobicContact CE1-CG 4.45Å; F295-W313 AromaticContact CG-CD1 3.88Å; F295-W313 HydrophobicContact CG-CD2 4.29Å; F295-W313 HydrophobicContact CG-CG 4.09Å; F295-W313 AromaticContact CG-NE1 3.96Å; F295-I324 HydrophobicContact CE1-CD1 4.28Å; F295-I324 HydrophobicContact CE2-CD1 4.44Å; F295-I324 HydrophobicContact CZ-CB 4.34Å; F295-I324 HydrophobicContact CZ-CD1 3.73Å; F295-I324 HydrophobicContact CZ-CG1 4.23Å; F295-V325 HydrophobicContact CE2-CG2 4.45Å; F295-V325 HydrophobicContact CZ-CG2 4.03Å |
| 296 | N | 91.4 | Very high | 80.4 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.7 | 173.5 | -55.5 | -82.8 | 0 | 0 | 0 | 109 | L281 R282 | L281-N296 CarbonylContact O-C 3.59Å; L281-N296 VanDerWaalsContact O-CA 3.29Å; L281-N296 WeakPolarHBondContact O-CA 3.21Å; R282-N296 WeakPolarHBondContact CG-OD1 3.45Å; R282-N296 PolarHBondContact NE-OD1 3.17Å |
| 297 | A | 88 | Confident | 78.1 | Confident | 18 Ų | 18 | 88.9 Ų | 88.9 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | L281 L311 | L281-A297 HydrophobicContact CB-CB 4.35Å; L281-A297 HydrophobicContact CD2-CB 4.37Å; L281-A297 PolarHBondContact N-O 3.04Å; L281-A297 PolarHBondContact O-N 2.96Å; A297-L311 HydrophobicContact CB-CD1 4.15Å |
| 298 | D | 86.6 | Confident | 76.2 | Confident | 72 Ų | 72 | 91.2 Ų | 91.2 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.4 | 173.7 | -163.8 | -35.1 | 0 | 0 | 0 | 109 | Q280 S300 | Q280-D298 PolarHBondContact NE2-OD2 3.16Å; D298-S300 VanDerWaalsContact OD1-CB 3.22Å; D298-S300 WeakPolarHBondContact OD1-CB 3.37Å; D298-S300 PolarHBondContact OD1-N 2.99Å; D298-S300 PolarHBondContact OD1-OG 3.08Å |
| 299 | L | 80.2 | Confident | 75 | Confident | 11 Ų | 11 | 92.3 Ų | 92.3 | 6% | 0.058 | 49% | 0.493 | C | S | . | . | trans | -97.7 | -11.5 | -178.5 | -60.3 | -179.7 | 0 | 0 | 0 | 112.5 | E279 L281 Q301 K302 F309 L311 | E279-L299 WeakPolarHBondContact O-CB 3.44Å; E279-L299 PolarHBondContact O-N 3.12Å; L281-L299 HydrophobicContact CD1-CD1 4.43Å; L299-Q301 VanDerWaalsContact C-N 3.27Å; L299-Q301 PolarHBondContact O-N 3.36Å; L299-K302 PolarHBondContact O-N 3.48Å; L299-F309 HydrophobicContact CD2-CE1 3.83Å; L299-F309 HydrophobicContact CD2-CZ 3.89Å; L299-L311 HydrophobicContact CD2-CD1 4.19Å | ||
| 300 | S | 74.8 | Confident | 74.4 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.5 | -175.5 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | D298 | D298-S300 VanDerWaalsContact OD1-CB 3.22Å; D298-S300 WeakPolarHBondContact OD1-CB 3.37Å; D298-S300 PolarHBondContact OD1-N 2.99Å; D298-S300 PolarHBondContact OD1-OG 3.08Å |
| 301 | Q | 60.5 | Low | 73.9 | Confident | 183 Ų | 183 | 79.5 Ų | 79.5 | 86% | 0.855 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.5 | -179.5 | -63.8 | -172.7 | -12.2 | 0 | 0 | 113.7 | L299 | L299-Q301 VanDerWaalsContact C-N 3.27Å; L299-Q301 PolarHBondContact O-N 3.36Å |
| 302 | K | 62.3 | Low | 73.5 | Confident | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -100.3 | 112 | -179 | -62.7 | -172 | 179.8 | -173.4 | 0 | 107.4 | L299 V304 F309 | L299-K302 PolarHBondContact O-N 3.48Å; K302-V304 HydrophobicContact CB-CG2 3.72Å; K302-V304 WeakPolarHBondContact O-CG2 3.18Å; K302-V304 PolarHBondContact O-N 3.24Å; K302-F309 HydrophobicContact CD-CE2 3.9Å; K302-F309 HydrophobicContact CD-CZ 3.84Å |
| 303 | Q | 52.8 | Low | 73.3 | Confident | 183 Ų | 183 | 75.6 Ų | 75.6 | 86% | 0.855 | 42% | 0.422 | S | S | * | . | trans | -66.9 | 83.6 | 168.4 | -75.1 | -167.9 | -7.4 | 0 | 0 | 109 | T305 | Q303-T305 PolarHBondContact O-N 2.82Å; Q303-T305 VanDerWaalsContact O-N 3.15Å | ||
| 304 | V | 54.4 | Low | 73 | Confident | 35 Ų | 35 | 80.2 Ų | 80.2 | 21% | 0.212 | 44% | 0.441 | C | S | . | . | trans | -86.1 | 85.6 | -177.6 | -170 | 0 | 0 | 0 | 0 | 109.2 | V276 K302 F309 | V276-V304 HydrophobicContact CB-CB 4.41Å; V276-V304 HydrophobicContact CB-CG1 4.25Å; V276-V304 HydrophobicContact CG1-CB 4.14Å; V276-V304 HydrophobicContact CG1-CG1 3.58Å; V276-V304 HydrophobicContact CG2-CG1 4.45Å; K302-V304 HydrophobicContact CB-CG2 3.72Å; K302-V304 WeakPolarHBondContact O-CG2 3.18Å; K302-V304 PolarHBondContact O-N 3.24Å; V304-F309 HydrophobicContact CG1-CB 3.49Å; V304-F309 VanDerWaalsContact CG1-CB 3.49Å; V304-F309 HydrophobicContact CG1-CD1 4Å; V304-F309 HydrophobicContact CG1-CD2 3.86Å; V304-F309 HydrophobicContact CG1-CG 3.52Å; V304-F309 HydrophobicContact CG2-CD1 4.4Å; V304-F309 HydrophobicContact CG2-CD2 3.94Å; V304-F309 HydrophobicContact CG2-CE1 4.33Å; V304-F309 HydrophobicContact CG2-CE2 3.87Å; V304-F309 HydrophobicContact CG2-CG 4.21Å; V304-F309 HydrophobicContact CG2-CZ 4.07Å | ||
| 305 | T | 45.6 | Very low | 72.4 | Confident | 122 Ų | 122 | 80.3 Ų | 80.3 | 75% | 0.748 | 44% | 0.442 | S | S | * | . | trans | -102.8 | 6.5 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | Q303 | Q303-T305 PolarHBondContact O-N 2.82Å; Q303-T305 VanDerWaalsContact O-N 3.15Å | ||
| 306 | K | 50.3 | Low | 71.5 | Confident | 169 Ų | 169 | 83.4 Ų | 83.4 | 74% | 0.735 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -128.4 | 140.9 | -175.4 | -76 | -172.9 | 176 | -179.1 | 0 | 114.7 | G308 | K306-G308 PolarHBondContact O-N 3.02Š|
| 307 | S | 47.7 | Very low | 69.9 | Low | 132 Ų | 132 | 88.9 Ų | 88.9 | 92% | 0.923 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 108 | 155.7 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 308 | G | 57.1 | Low | 68 | Low | 64 Ų | 64 | 93 Ų | 93 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.8 | -0.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K306 S310 | K306-G308 PolarHBondContact O-N 3.02Å; G308-S310 PolarHBondContact O-N 3.42Å |
| 309 | F | 69.2 | Low | 66.4 | Low | 45 Ų | 45 | 92 Ų | 92 | 20% | 0.197 | 51% | 0.513 | C | S | . | . | trans | -61.3 | 129.7 | 172.9 | 178.8 | -104.8 | 0 | 0 | 0 | 111.8 | I274 V276 L299 K302 V304 L311 | I274-F309 HydrophobicContact CD1-CD1 3.99Å; I274-F309 HydrophobicContact CD1-CE1 3.98Å; V276-F309 HydrophobicContact CG1-CD1 4.34Å; L299-F309 HydrophobicContact CD2-CE1 3.83Å; L299-F309 HydrophobicContact CD2-CZ 3.89Å; K302-F309 HydrophobicContact CD-CE2 3.9Å; K302-F309 HydrophobicContact CD-CZ 3.84Å; V304-F309 HydrophobicContact CG1-CB 3.49Å; V304-F309 VanDerWaalsContact CG1-CB 3.49Å; V304-F309 HydrophobicContact CG1-CD1 4Å; V304-F309 HydrophobicContact CG1-CD2 3.86Å; V304-F309 HydrophobicContact CG1-CG 3.52Å; V304-F309 HydrophobicContact CG2-CD1 4.4Å; V304-F309 HydrophobicContact CG2-CD2 3.94Å; V304-F309 HydrophobicContact CG2-CE1 4.33Å; V304-F309 HydrophobicContact CG2-CE2 3.87Å; V304-F309 HydrophobicContact CG2-CG 4.21Å; V304-F309 HydrophobicContact CG2-CZ 4.07Å; F309-L311 HydrophobicContact CE1-CD1 4.22Å; F309-L311 HydrophobicContact CE1-CD2 4.04Å; F309-L311 HydrophobicContact CE1-CG 3.68Å; F309-L311 HydrophobicContact CZ-CD2 3.68Å; F309-L311 HydrophobicContact CZ-CG 3.87Å | ||
| 310 | S | 79.1 | Confident | 64.9 | Low | 56 Ų | 56 | 98.9 Ų | 98.9 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | trans | -126 | 140.3 | 174.5 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | L271 G308 | L271-S310 CarbonylContact O-C 3.55Å; L271-S310 WeakPolarHBondContact O-CA 3.27Å; G308-S310 PolarHBondContact O-N 3.42Å | ||
| 311 | L | 83.8 | Confident | 64.2 | Low | 12 Ų | 12 | 98.7 Ų | 98.7 | 6% | 0.063 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.1 | 168.4 | -75.9 | 173.7 | 0 | 0 | 0 | 108.6 | S270 L271 I274 L281 A297 L299 F309 W313 | S270-L311 CarbonylContact C-O 3.52Å; S270-L311 WeakPolarHBondContact CA-O 3.48Å; L271-L311 HydrophobicContact CB-CB 4.41Å; L271-L311 HydrophobicContact CD2-CD1 4.49Å; L271-L311 PolarHBondContact N-O 2.72Å; L271-L311 PolarHBondContact O-N 2.72Å; I274-L311 HydrophobicContact CD1-CB 4.29Å; I274-L311 HydrophobicContact CD1-CD1 3.82Å; I274-L311 HydrophobicContact CD1-CG 3.98Å; L281-L311 HydrophobicContact CD1-CD1 3.78Å; L281-L311 HydrophobicContact CD2-CD1 4.27Å; A297-L311 HydrophobicContact CB-CD1 4.15Å; L299-L311 HydrophobicContact CD2-CD1 4.19Å; F309-L311 HydrophobicContact CE1-CD1 4.22Å; F309-L311 HydrophobicContact CE1-CD2 4.04Å; F309-L311 HydrophobicContact CE1-CG 3.68Å; F309-L311 HydrophobicContact CZ-CD2 3.68Å; F309-L311 HydrophobicContact CZ-CG 3.87Å; L311-W313 HydrophobicContact CB-CH2 3.95Å; L311-W313 HydrophobicContact CB-CZ2 4.41Å; L311-W313 HydrophobicContact CB-CZ3 4.12Å; L311-W313 HydrophobicContact CD1-CH2 4.12Å; L311-W313 HydrophobicContact CD1-CZ2 4.32Å |
| 312 | V | 87 | Confident | 64.7 | Low | 75 Ų | 75 | 94 Ų | 94 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.7 | 177.7 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | I269 | I269-V312 CarbonylContact O-C 3.53Å; I269-V312 WeakPolarHBondContact O-CA 3.38Å |
| 313 | W | 88.3 | Confident | 65.8 | Low | 36 Ų | 36 | 89.5 Ų | 89.5 | 14% | 0.136 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.6 | 166.1 | -64.1 | -85.3 | 0 | 0 | 0 | 108.8 | S268 I269 L271 L281 L283 F295 L311 I324 | S268-W313 WeakPolarHBondContact CA-O 3.32Å; I269-W313 HydrophobicContact CB-CE3 4.24Å; I269-W313 HydrophobicContact CG2-CE3 4.09Å; I269-W313 HydrophobicContact CG2-CZ3 4.43Å; I269-W313 PolarHBondContact N-O 2.86Å; I269-W313 PolarHBondContact O-N 3.13Å; L271-W313 HydrophobicContact CB-CH2 4.24Å; L271-W313 HydrophobicContact CB-CZ3 3.73Å; L271-W313 HydrophobicContact CD2-CH2 4.01Å; L271-W313 HydrophobicContact CD2-CZ3 4.32Å; L281-W313 HydrophobicContact CD2-CH2 3.87Å; L281-W313 HydrophobicContact CD2-CZ2 3.94Å; L283-W313 HydrophobicContact CB-CH2 4.3Å; L283-W313 HydrophobicContact CD2-CE3 4.07Å; L283-W313 HydrophobicContact CD2-CH2 3.99Å; L283-W313 HydrophobicContact CD2-CZ3 3.64Å; F295-W313 HydrophobicContact CB-CD2 4.29Å; F295-W313 HydrophobicContact CB-CG 4.41Å; F295-W313 HydrophobicContact CB-CZ2 4.13Å; F295-W313 HydrophobicContact CD1-CB 4.48Å; F295-W313 AromaticContact CD1-CD1 3.64Å; F295-W313 HydrophobicContact CD1-CG 4.02Å; F295-W313 HydrophobicContact CE1-CB 4.44Å; F295-W313 HydrophobicContact CE1-CG 4.45Å; F295-W313 AromaticContact CG-CD1 3.88Å; F295-W313 HydrophobicContact CG-CD2 4.29Å; F295-W313 HydrophobicContact CG-CG 4.09Å; F295-W313 AromaticContact CG-NE1 3.96Å; L311-W313 HydrophobicContact CB-CH2 3.95Å; L311-W313 HydrophobicContact CB-CZ2 4.41Å; L311-W313 HydrophobicContact CB-CZ3 4.12Å; L311-W313 HydrophobicContact CD1-CH2 4.12Å; L311-W313 HydrophobicContact CD1-CZ2 4.32Å; W313-I324 HydrophobicContact CB-CD1 3.8Å |
| 314 | Q | 88.1 | Confident | 67.5 | Low | 133 Ų | 133 | 82.9 Ų | 82.9 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | trans | -150.8 | 161.7 | 179.6 | 55.3 | -178.8 | -13.2 | 0 | 0 | 109.1 | ||||
| 315 | P | 81.1 | Confident | 69.2 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 29% | 0.286 | 49% | 0.489 | S | S | . | . | trans | -60.2 | 140.7 | 177.9 | -19.1 | 32.9 | 0 | 0 | 0 | 110 | P267 I324 | P267-P315 WeakPolarHBondContact O-CD 3.49Å; P315-I324 HydrophobicContact CG-CG2 4.03Å | ||
| 316 | T | 72.6 | Confident | 71.4 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | trans | -71.4 | 153.5 | 171.2 | 51 | 0 | 0 | 0 | 0 | 110 | S318 S319 | T316-S318 PolarHBondContact O-N 2.95Å; T316-S318 PolarHBondContact OG1-OG 2.78Å; T316-S319 VanDerWaalsContact O-CB 3.24Å; T316-S319 WeakPolarHBondContact O-CB 3.36Å; T316-S319 PolarHBondContact O-N 2.88Å | ||
| 317 | E | 58.1 | Low | 73.5 | Confident | 210 Ų | 210 | 73.2 Ų | 73.2 | 98% | 0.981 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -20 | -179.8 | -66.3 | -178.3 | 170.3 | 0 | 0 | 113.7 | ||
| 318 | S | 48.8 | Very low | 75.7 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.3 | 175.2 | 64.2 | 0 | 0 | 0 | 0 | 115.2 | T316 | T316-S318 PolarHBondContact O-N 2.95Å; T316-S318 PolarHBondContact OG1-OG 2.78Å |
| 319 | S | 52.7 | Low | 77.5 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | trans | -81.7 | 129.5 | -177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | T316 C321 | T316-S319 VanDerWaalsContact O-CB 3.24Å; T316-S319 WeakPolarHBondContact O-CB 3.36Å; T316-S319 PolarHBondContact O-N 2.88Å; S319-C321 PolarHBondContact O-N 2.81Å; S319-C321 PolarHBondContact OG-N 3.36Å; S319-C321 VanDerWaalsContact OG-N 3.11Å; S319-C321 PolarHBondContact OG-O 2.71Å | ||
| 320 | T | 49.5 | Very low | 78.6 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 95% | 0.951 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -76.2 | -10.3 | 170 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||
| 321 | C | 59.3 | Low | 79.2 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | trans | -105 | 125.7 | 179.5 | -173 | 0 | 0 | 0 | 0 | 110.8 | S319 S323 | S319-C321 PolarHBondContact O-N 2.81Å; S319-C321 PolarHBondContact OG-N 3.36Å; S319-C321 VanDerWaalsContact OG-N 3.11Å; S319-C321 PolarHBondContact OG-O 2.71Å; C321-S323 PolarHBondContact O-N 3.31Å; C321-S323 VanDerWaalsContact O-N 3.1Å; C321-S323 PolarHBondContact SG-O 2.66Å | ||
| 322 | A | 71.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 69% | 0.686 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -73 | 9.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 323 | S | 84.3 | Confident | 79.9 | Confident | 12 Ų | 12 | 80.5 Ų | 80.5 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | trans | -140.7 | 137.6 | -177.1 | -47 | 0 | 0 | 0 | 0 | 110.8 | H265 V266 C321 V325 | H265-S323 WeakPolarHBondContact CB-OG 3.37Å; H265-S323 PolarHBondContact ND1-OG 3.29Å; H265-S323 VanDerWaalsContact ND1-OG 3.12Å; V266-S323 WeakPolarHBondContact O-CA 3.4Å; C321-S323 PolarHBondContact O-N 3.31Å; C321-S323 VanDerWaalsContact O-N 3.1Å; C321-S323 PolarHBondContact SG-O 2.66Å; S323-V325 VanDerWaalsContact C-N 3.34Å | ||
| 324 | I | 89.1 | Confident | 80.1 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 23% | 0.226 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -79 | -23.1 | 175.1 | 56.2 | 175.2 | 0 | 0 | 0 | 112.1 | V266 I269 F295 W313 P315 | V266-I324 HydrophobicContact CG1-CG1 4.36Å; V266-I324 VanDerWaalsContact O-CG1 3.22Å; V266-I324 WeakPolarHBondContact O-CG1 3.32Å; V266-I324 PolarHBondContact O-N 3.02Å; I269-I324 HydrophobicContact CB-CD1 4.48Å; I269-I324 HydrophobicContact CD1-CD1 3.93Å; I269-I324 HydrophobicContact CG1-CD1 4.06Å; F295-I324 HydrophobicContact CE1-CD1 4.28Å; F295-I324 HydrophobicContact CE2-CD1 4.44Å; F295-I324 HydrophobicContact CZ-CB 4.34Å; F295-I324 HydrophobicContact CZ-CD1 3.73Å; F295-I324 HydrophobicContact CZ-CG1 4.23Å; W313-I324 HydrophobicContact CB-CD1 3.8Å; P315-I324 HydrophobicContact CG-CG2 4.03Å |
| 325 | V | 90.3 | Very high | 80.5 | Confident | 7 Ų | 7 | 80 Ų | 80 | 4% | 0.042 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.7 | -179.3 | 166.7 | 0 | 0 | 0 | 0 | 109.8 | V266 V292 T293 F295 S323 F327 | V266-V325 HydrophobicContact CB-CB 3.99Å; V266-V325 HydrophobicContact CG2-CB 4.22Å; V266-V325 HydrophobicContact CG2-CG1 4.19Å; V266-V325 PolarHBondContact N-O 2.8Å; V266-V325 PolarHBondContact O-N 3.23Å; V292-V325 HydrophobicContact CB-CG1 4.39Å; V292-V325 HydrophobicContact CG1-CB 4.48Å; V292-V325 HydrophobicContact CG1-CG1 3.27Å; T293-V325 HydrophobicContact CG2-CG2 3.29Å; F295-V325 HydrophobicContact CE2-CG2 4.45Å; F295-V325 HydrophobicContact CZ-CG2 4.03Å; S323-V325 VanDerWaalsContact C-N 3.34Å; V325-F327 HydrophobicContact CG1-CD1 3.66Å; V325-F327 HydrophobicContact CG1-CE1 3.9Å |
| 326 | K | 92.3 | Very high | 81.2 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 47% | 0.465 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136 | 171.9 | -176.5 | -174.9 | 178.6 | -179.1 | 0 | 109.9 | D263 I264 H265 | D263-K326 HydrophobicContact CB-CG 4.39Å; D263-K326 WeakPolarHBondContact OD1-CE 3.16Å; D263-K326 IonicContact OD1-NZ 3.4Å; D263-K326 WeakPolarHBondContact OD2-CE 3.48Å; D263-K326 IonicContact OD2-NZ 3.6Å; D263-K326 PolarHBondContact OD2-NZ 2.89Å; I264-K326 WeakPolarHBondContact O-CA 3.5Å; H265-K326 VanDerWaalsContact NE2-CE 3.33Å; H265-K326 WeakPolarHBondContact NE2-CE 3.45Å |
| 327 | F | 93.4 | Very high | 82.4 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 4% | 0.044 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 145.9 | 171.1 | 51.9 | -89 | 0 | 0 | 0 | 111.9 | I264 V266 Y287 V292 V325 L337 L366 | I264-F327 HydrophobicContact CB-CD2 4.2Å; I264-F327 HydrophobicContact CB-CE2 3.77Å; I264-F327 HydrophobicContact CB-CZ 3.94Å; I264-F327 HydrophobicContact CD1-CE2 3.79Å; I264-F327 HydrophobicContact CD1-CZ 4.35Å; I264-F327 HydrophobicContact CG1-CE2 4.37Å; I264-F327 HydrophobicContact CG2-CE1 4.1Å; I264-F327 HydrophobicContact CG2-CE2 3.98Å; I264-F327 HydrophobicContact CG2-CZ 3.61Å; I264-F327 PolarHBondContact N-O 2.91Å; I264-F327 PolarHBondContact O-N 3.17Å; V266-F327 HydrophobicContact CG2-CE1 3.98Å; Y287-F327 HydrophobicContact CD1-CB 4.47Å; Y287-F327 AromaticContact CD1-CD2 3.54Å; Y287-F327 HydrophobicContact CD1-CD2 3.54Å; Y287-F327 HydrophobicContact CD1-CE2 4.11Å; Y287-F327 HydrophobicContact CD1-CG 4.25Å; Y287-F327 AromaticContact CD2-CD2 3.86Å; Y287-F327 HydrophobicContact CD2-CD2 3.86Å; Y287-F327 AromaticContact CD2-CE2 3.54Å; Y287-F327 HydrophobicContact CD2-CE2 3.54Å; Y287-F327 HydrophobicContact CD2-CZ 4.27Å; Y287-F327 AromaticContact CE1-CD2 3.79Å; Y287-F327 HydrophobicContact CE1-CD2 3.79Å; Y287-F327 HydrophobicContact CE1-CE2 4.23Å; Y287-F327 HydrophobicContact CE2-CD2 4.08Å; Y287-F327 AromaticContact CE2-CE2 3.68Å; Y287-F327 HydrophobicContact CE2-CE2 3.68Å; Y287-F327 AromaticContact CG-CD2 3.58Å; Y287-F327 HydrophobicContact CG-CD2 3.58Å; Y287-F327 AromaticContact CG-CE2 3.77Å; Y287-F327 HydrophobicContact CG-CE2 3.77Å; Y287-F327 HydrophobicContact CG-CG 4.24Å; V292-F327 HydrophobicContact CG1-CD1 4.02Å; V292-F327 HydrophobicContact CG2-CD1 4.41Å; V325-F327 HydrophobicContact CG1-CD1 3.66Å; V325-F327 HydrophobicContact CG1-CE1 3.9Å; F327-L337 HydrophobicContact CE1-CD1 4.44Å; F327-L337 HydrophobicContact CZ-CD1 4.36Å; F327-L366 HydrophobicContact CZ-CD1 4.47Å |
| 328 | P | 94.5 | Very high | 84.2 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 151.5 | 178.4 | 31.9 | -35.5 | 0 | 0 | 0 | 111.4 | G262 D263 Y287 | G262-P328 CarbonylContact O-C 3.59Å; G262-P328 WeakPolarHBondContact O-CA 3.33Å; D263-P328 WeakPolarHBondContact OD1-CA 3.33Å; Y287-P328 VanDerWaalsContact CE1-O 3.26Å; Y287-P328 WeakPolarHBondContact CE1-O 3.36Å |
| 329 | F | 94 | Very high | 86.5 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.7 | 171.9 | 76.4 | -84.5 | 0 | 0 | 0 | 111.8 | I259 Y261 G262 I264 Y287 L363 L367 V401 | I259-F329 HydrophobicContact CG2-CE2 4.15Å; I259-F329 HydrophobicContact CG2-CZ 3.7Å; Y261-F329 VanDerWaalsContact CA-O 3.27Å; Y261-F329 WeakPolarHBondContact CA-O 3.14Å; Y261-F329 WeakPolarHBondContact CB-O 3.11Å; G262-F329 VanDerWaalsContact C-CD1 3.47Å; G262-F329 VanDerWaalsContact C-CE1 3.45Å; G262-F329 PolarHBondContact N-O 2.84Å; G262-F329 VanDerWaalsContact N-O 3.07Å; G262-F329 VanDerWaalsContact O-CD1 3.31Å; G262-F329 WeakPolarHBondContact O-CD1 3.44Å; G262-F329 PolarHBondContact O-N 2.96Å; I264-F329 HydrophobicContact CD1-CB 4.22Å; I264-F329 HydrophobicContact CD1-CD1 3.97Å; I264-F329 HydrophobicContact CD1-CG 4.19Å; I264-F329 HydrophobicContact CG1-CD1 3.67Å; I264-F329 HydrophobicContact CG1-CE1 4.07Å; I264-F329 HydrophobicContact CG1-CG 4.38Å; Y287-F329 WeakPolarHBondContact OH-CB 3.14Å; F329-L363 HydrophobicContact CB-CD1 3.76Å; F329-L363 HydrophobicContact CB-CD2 4.36Å; F329-L363 HydrophobicContact CD2-CD1 3.91Å; F329-L363 HydrophobicContact CD2-CD2 3.96Å; F329-L363 HydrophobicContact CD2-CG 4.46Å; F329-L363 HydrophobicContact CG-CD1 3.92Å; F329-L367 HydrophobicContact CD1-CD2 4.42Å; F329-L367 HydrophobicContact CD2-CD1 4.37Å; F329-L367 HydrophobicContact CD2-CD2 4.25Å; F329-L367 HydrophobicContact CE1-CD2 3.93Å; F329-L367 HydrophobicContact CE2-CD1 3.95Å; F329-L367 HydrophobicContact CE2-CD2 3.75Å; F329-L367 HydrophobicContact CE2-CG 4.5Å; F329-L367 HydrophobicContact CZ-CD2 3.56Å; F329-V401 HydrophobicContact CE1-CG1 3.94Å; F329-V401 HydrophobicContact CZ-CG1 4.03Å |
| 330 | E | 93.6 | Very high | 88.5 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 124.8 | 169.5 | -65.7 | -175.9 | 178.1 | 0 | 0 | 107.6 | S260 R332 A333 A334 | S260-E330 CarbonylContact O-C 3.59Å; S260-E330 WeakPolarHBondContact O-CA 3.43Å; E330-R332 PolarHBondContact O-N 3.33Å; E330-A333 CarbonylContact O-C 3.6Å; E330-A333 PolarHBondContact O-N 2.83Å; E330-A334 PolarHBondContact O-N 3.06Å; E330-A334 VanDerWaalsContact O-N 3.15Å |
| 331 | R | 91.4 | Very high | 90.6 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.3 | -34.7 | -178.4 | -76.1 | -170.4 | 177.1 | -96.3 | 2.5 | 112.4 | A257 I259 S260 A333 A334 L363 D364 L367 | A257-R331 PolarHBondContact O-NE 3.14Å; A257-R331 PolarHBondContact O-NH2 3.4Å; I259-R331 WeakPolarHBondContact O-CD 3.26Å; I259-R331 PolarHBondContact O-NE 2.88Å; S260-R331 PolarHBondContact O-N 3.17Å; R331-A333 PolarHBondContact O-N 3.25Å; R331-A334 PolarHBondContact O-N 2.85Å; R331-L363 HydrophobicContact CG-CD2 4.25Å; R331-D364 IonicContact CZ-OD1 3.8Å; R331-D364 IonicContact NH1-OD1 3.72Å; R331-D364 PolarHBondContact NH1-OD1 3.19Å; R331-L367 HydrophobicContact CG-CD1 4.48Å |
| 332 | R | 91.3 | Very high | 92.2 | Very high | 218 Ų | 218 | 52 Ų | 52 | 82% | 0.823 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.1 | 177.5 | -65.1 | -175.9 | -176.9 | 173.6 | 3.3 | 113.2 | E330 | E330-R332 PolarHBondContact O-N 3.33Š|
| 333 | A | 92.9 | Very high | 93 | Very high | 53 Ų | 53 | 48 Ų | 48 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -129 | 49.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E330 R331 | E330-A333 CarbonylContact O-C 3.6Å; E330-A333 PolarHBondContact O-N 2.83Å; R331-A333 PolarHBondContact O-N 3.25Å |
| 334 | A | 93.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 48 Ų | 48 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | trans | -57.4 | 140.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E330 R331 L363 | E330-A334 PolarHBondContact O-N 3.06Å; E330-A334 VanDerWaalsContact O-N 3.15Å; R331-A334 PolarHBondContact O-N 2.85Å; A334-L363 HydrophobicContact CB-CB 4.2Å; A334-L363 HydrophobicContact CB-CD2 3.86Å | ||
| 335 | K | 96.1 | Very high | 93.1 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | trans | -132.1 | 154.3 | 177.9 | -64.9 | 168.7 | -172.7 | 169.6 | 0 | 108.8 | Y287 | Y287-K335 HydrophobicContact CD1-CB 4.35Å; Y287-K335 HydrophobicContact CD1-CD 4.28Å; Y287-K335 HydrophobicContact CD2-CB 4.28Å; Y287-K335 HydrophobicContact CE1-CB 3.97Å; Y287-K335 HydrophobicContact CE1-CD 4.07Å; Y287-K335 HydrophobicContact CE2-CB 3.88Å; Y287-K335 WeakPolarHBondContact CE2-O 3.37Å; Y287-K335 HydrophobicContact CG-CB 4.5Å | ||
| 336 | D | 96.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 33% | 0.326 | 27% | 0.266 | S | S | . | . | trans | -88.5 | 145.7 | 175.3 | -59.8 | -21.9 | 0 | 0 | 0 | 110.8 | Y287 G288 A361 | Y287-D336 WeakPolarHBondContact CA-O 3.35Å; G288-D336 PolarHBondContact N-O 3.45Å; D336-A361 CarbonylContact C-O 3.58Å; D336-A361 WeakPolarHBondContact CA-O 3.28Å | ||
| 337 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.9 | 160.5 | -180 | 70.3 | 0 | 0 | 0 | 108.3 | L285 C286 Y287 F327 V339 K360 A361 L366 V397 | L285-L337 HydrophobicContact CB-CD1 4.28Å; L285-L337 HydrophobicContact CD2-CD1 4.34Å; L285-L337 HydrophobicContact CG-CD1 4.44Å; C286-L337 CarbonylContact O-C 3.43Å; C286-L337 WeakPolarHBondContact O-CA 3.33Å; Y287-L337 HydrophobicContact CD2-CB 4.4Å; F327-L337 HydrophobicContact CE1-CD1 4.44Å; F327-L337 HydrophobicContact CZ-CD1 4.36Å; L337-V339 HydrophobicContact CD2-CG2 4.37Å; L337-V339 HydrophobicContact CG-CG2 4.29Å; L337-K360 CarbonylContact O-C 3.52Å; L337-K360 WeakPolarHBondContact O-CA 3.23Å; L337-A361 HydrophobicContact CB-CB 4.5Å; L337-A361 PolarHBondContact N-O 3.1Å; L337-A361 PolarHBondContact O-N 3.43Å; L337-L366 HydrophobicContact CB-CD1 3.65Å; L337-L366 HydrophobicContact CB-CD2 4.3Å; L337-L366 HydrophobicContact CD2-CD1 4.48Å; L337-L366 HydrophobicContact CD2-CD2 3.83Å; L337-V397 HydrophobicContact CD2-CG1 4.2Å; L337-V397 HydrophobicContact CD2-CG2 4.28Å |
| 338 | T | 96.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 62 Ų | 62 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.9 | 170.8 | -57 | 0 | 0 | 0 | 0 | 109.4 | C286 I358 K360 | C286-T338 PolarHBondContact N-O 3.37Å; C286-T338 PolarHBondContact O-N 2.96Å; T338-I358 HydrophobicContact CG2-CG2 3.8Å; T338-K360 HydrophobicContact CG2-CG 4.34Å |
| 339 | V | 96.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 108 | L283 K284 L285 L337 I358 G359 L381 L383 V395 | L283-V339 HydrophobicContact CD1-CG1 3.48Å; L283-V339 VanDerWaalsContact CD1-CG1 3.48Å; L283-V339 HydrophobicContact CG-CG1 4.13Å; K284-V339 WeakPolarHBondContact O-CA 3.22Å; L285-V339 HydrophobicContact CG-CG2 4.49Å; L337-V339 HydrophobicContact CD2-CG2 4.37Å; L337-V339 HydrophobicContact CG-CG2 4.29Å; V339-I358 WeakPolarHBondContact O-CA 3.24Å; V339-G359 PolarHBondContact N-O 3.15Å; V339-G359 PolarHBondContact O-N 3.39Å; V339-L381 HydrophobicContact CB-CD2 4.34Å; V339-L381 HydrophobicContact CG2-CD2 3.83Å; V339-L383 HydrophobicContact CB-CD2 4.09Å; V339-L383 HydrophobicContact CG1-CD1 4.36Å; V339-L383 HydrophobicContact CG1-CD2 4.12Å; V339-V395 HydrophobicContact CG1-CG1 4.5Å; V339-V395 HydrophobicContact CG1-CG2 4.26Å |
| 340 | E | 95.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.2 | 177.5 | 173.7 | -179.8 | 137.1 | 0 | 0 | 109.4 | L283 K284 E342 K356 L357 I358 | L283-E340 CarbonylContact C-O 3.55Å; L283-E340 WeakPolarHBondContact CA-O 3.3Å; K284-E340 HydrophobicContact CB-CB 4.28Å; K284-E340 PolarHBondContact N-O 2.92Å; K284-E340 IonicContact NZ-OE1 3.69Å; K284-E340 PolarHBondContact NZ-OE1 3.49Å; K284-E340 PolarHBondContact O-N 3.44Å; E340-E342 HydrophobicContact CG-CG 4.43Å; E340-K356 HydrophobicContact CG-CD 4.38Å; E340-K356 HydrophobicContact CG-CG 4.2Å; E340-K356 WeakPolarHBondContact OE1-CE 3.45Å; E340-K356 IonicContact OE1-NZ 3.87Å; E340-K356 PolarHBondContact OE1-NZ 3.05Å; E340-K356 WeakPolarHBondContact OE2-CE 3.35Å; E340-K356 IonicContact OE2-NZ 3Å; E340-K356 PolarHBondContact OE2-NZ 2.87Å; E340-L357 WeakPolarHBondContact CA-O 3.21Å; E340-I358 HydrophobicContact CG-CG1 4.43Å |
| 341 | L | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.8 | 176.2 | 176.3 | 59.4 | 0 | 0 | 0 | 109.2 | L271 L281 L283 I343 K356 L357 L383 A393 | L271-L341 HydrophobicContact CD1-CD2 3.79Å; L271-L341 HydrophobicContact CD2-CD1 4.04Å; L271-L341 HydrophobicContact CD2-CD2 3.94Å; L281-L341 HydrophobicContact CD1-CD1 3.82Å; L281-L341 HydrophobicContact CD2-CD1 3.76Å; L281-L341 HydrophobicContact CG-CD1 3.56Å; L283-L341 HydrophobicContact CD1-CB 4.03Å; L283-L341 HydrophobicContact CD1-CD1 4.1Å; L341-I343 HydrophobicContact CD1-CG1 4.11Å; L341-I343 HydrophobicContact CD2-CD1 3.98Å; L341-I343 HydrophobicContact CD2-CG1 4.41Å; L341-I343 HydrophobicContact CG-CD1 4.06Å; L341-I343 HydrophobicContact CG-CG1 3.96Å; L341-K356 WeakPolarHBondContact O-CA 3.45Å; L341-L357 HydrophobicContact CB-CB 4.32Å; L341-L357 HydrophobicContact CD2-CD1 4.3Å; L341-L357 PolarHBondContact N-O 2.52Å; L341-L357 PolarHBondContact O-N 2.85Å; L341-L383 HydrophobicContact CB-CD1 3.54Å; L341-L383 HydrophobicContact CD2-CD1 3.84Å; L341-L383 HydrophobicContact CG-CD1 4.35Å; L341-A393 HydrophobicContact CD2-CB 3.92Å |
| 342 | E | 93 | Very high | 88.7 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.7 | 171.6 | -69.9 | -175.8 | 163.3 | 0 | 0 | 109 | R282 K284 E340 F344 R351 L354 I355 | R282-E342 HydrophobicContact CB-CB 4.19Å; R282-E342 WeakPolarHBondContact CD-OE2 3.49Å; R282-E342 PolarHBondContact N-O 2.74Å; R282-E342 PolarHBondContact O-N 3.26Å; K284-E342 WeakPolarHBondContact CE-OE2 3.3Å; K284-E342 IonicContact NZ-OE1 3.64Å; K284-E342 PolarHBondContact NZ-OE1 3.14Å; K284-E342 IonicContact NZ-OE2 3.71Å; K284-E342 PolarHBondContact NZ-OE2 3.32Å; E340-E342 HydrophobicContact CG-CG 4.43Å; E342-F344 HydrophobicContact CB-CD1 4.36Å; E342-R351 IonicContact OE1-NH1 2.7Å; E342-R351 IonicContact OE2-CZ 3.96Å; E342-R351 IonicContact OE2-NH1 3.47Å; E342-R351 PolarHBondContact OE2-NH1 3.03Å; E342-L354 HydrophobicContact CB-CD1 3.7Å; E342-L354 HydrophobicContact CG-CD1 3.95Å; E342-I355 WeakPolarHBondContact CA-O 3.35Å |
| 343 | I | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.8 | 176.9 | -61.7 | 168.1 | 0 | 0 | 0 | 106.9 | I274 P275 R278 Q280 L341 I355 | I274-I343 HydrophobicContact CG2-CD1 3.99Å; P275-I343 HydrophobicContact CB-CD1 4.12Å; P275-I343 HydrophobicContact CG-CD1 3.96Å; R278-I343 HydrophobicContact CB-CG2 3.52Å; R278-I343 HydrophobicContact CG-CG2 3.74Å; Q280-I343 WeakPolarHBondContact O-CA 3.17Å; L341-I343 HydrophobicContact CD1-CG1 4.11Å; L341-I343 HydrophobicContact CD2-CD1 3.98Å; L341-I343 HydrophobicContact CD2-CG1 4.41Å; L341-I343 HydrophobicContact CG-CD1 4.06Å; L341-I343 HydrophobicContact CG-CG1 3.96Å; I343-I355 HydrophobicContact CB-CB 4.31Å; I343-I355 PolarHBondContact N-O 2.89Å; I343-I355 PolarHBondContact O-N 2.87Å |
| 344 | F | 89.7 | Confident | 88 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 163.1 | -171.1 | 61.8 | -85.6 | 0 | 0 | 0 | 112.1 | Q280 R282 E342 R351 L354 | Q280-F344 WeakPolarHBondContact CA-O 3.5Å; Q280-F344 HydrophobicContact CB-CD1 4.36Å; Q280-F344 HydrophobicContact CB-CD2 3.95Å; Q280-F344 HydrophobicContact CB-CE1 4.05Å; Q280-F344 HydrophobicContact CB-CE2 3.62Å; Q280-F344 HydrophobicContact CB-CG 4.31Å; Q280-F344 HydrophobicContact CB-CZ 3.67Å; Q280-F344 VanDerWaalsContact CB-O 3.27Å; Q280-F344 WeakPolarHBondContact CB-O 3.27Å; Q280-F344 HydrophobicContact CG-CD2 4.47Å; Q280-F344 HydrophobicContact CG-CE2 4.04Å; Q280-F344 HydrophobicContact CG-CZ 4.44Å; Q280-F344 PolarHBondContact N-O 3.16Å; Q280-F344 PolarHBondContact O-N 2.98Å; R282-F344 HydrophobicContact CB-CE1 4.21Å; E342-F344 HydrophobicContact CB-CD1 4.36Å; F344-R351 HydrophobicContact CB-CB 4.28Å; F344-R351 HydrophobicContact CD2-CB 3.74Å; F344-R351 HydrophobicContact CD2-CG 3.68Å; F344-R351 HydrophobicContact CE2-CB 4.31Å; F344-R351 HydrophobicContact CE2-CG 3.72Å; F344-R351 HydrophobicContact CG-CB 4.05Å; F344-R351 HydrophobicContact CG-CG 4.18Å; F344-R351 HydrophobicContact CZ-CG 4.26Å; F344-L354 HydrophobicContact CB-CB 4.4Å; F344-L354 HydrophobicContact CB-CD1 3.97Å; F344-L354 HydrophobicContact CD1-CD1 4.12Å; F344-L354 HydrophobicContact CG-CD1 4.41Å |
| 345 | D | 85.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 143.4 | 169.1 | -65.4 | -34.9 | 0 | 0 | 0 | 110.6 | R278 E279 M347 K352 | R278-D345 WeakPolarHBondContact CA-OD1 3.24Å; R278-D345 WeakPolarHBondContact CB-OD1 3.48Å; R278-D345 VanDerWaalsContact CD-CG 3.42Å; R278-D345 WeakPolarHBondContact CD-OD1 3.4Å; R278-D345 WeakPolarHBondContact CD-OD2 3.44Å; R278-D345 IonicContact CZ-OD2 3.89Å; R278-D345 IonicContact NE-OD2 3.75Å; R278-D345 IonicContact NH1-OD2 3.78Å; R278-D345 PolarHBondContact NH1-OD2 3.48Å; E279-D345 PolarHBondContact N-OD1 3.42Å; E279-D345 VanDerWaalsContact N-OD1 3.11Å; D345-M347 PolarHBondContact O-N 2.83Å; D345-K352 PolarHBondContact N-O 2.85Å; D345-K352 PolarHBondContact O-N 3.02Å |
| 346 | K | 81.6 | Confident | 87.5 | Confident | 142 Ų | 142 | 66.3 Ų | 66.3 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 106.6 | 177.4 | -167.3 | 177.8 | 179.5 | -174.5 | 0 | 109.5 | Q280 | Q280-K346 HydrophobicContact CG-CB 4.03Å |
| 347 | M | 79.4 | Confident | 87.4 | Confident | 107 Ų | 107 | 63.4 Ų | 63.4 | 53% | 0.527 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 99.9 | 173.5 | -72.8 | -85.4 | -65.3 | 0 | 0 | 107.9 | D345 L349 Q350 K352 | D345-M347 PolarHBondContact O-N 2.83Å; M347-L349 PolarHBondContact O-N 2.7Å; M347-Q350 PolarHBondContact N-O 2.93Å; M347-Q350 PolarHBondContact O-N 3.29Å; M347-K352 HydrophobicContact CB-CB 4.21Å; M347-K352 HydrophobicContact CE-CD 4.32Å; M347-K352 HydrophobicContact CG-CB 3.87Å; M347-K352 HydrophobicContact CG-CD 3.7Å; M347-K352 HydrophobicContact CG-CG 4.41Å; M347-K352 HydrophobicContact SD-CD 4.45Å |
| 348 | F | 77.5 | Confident | 87.3 | Confident | 180 Ų | 180 | 66.3 Ų | 66.3 | 79% | 0.789 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -133.8 | -172.7 | -163.3 | -111.8 | 0 | 0 | 0 | 111.7 | Q350 | F348-Q350 VanDerWaalsContact C-N 3.26Å; F348-Q350 PolarHBondContact O-N 2.82Å |
| 349 | L | 71.8 | Confident | 87.2 | Confident | 159 Ų | 159 | 65.2 Ų | 65.2 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.4 | 175.8 | -67.1 | 172.4 | 0 | 0 | 0 | 113.9 | M347 | M347-L349 PolarHBondContact O-N 2.7Š|
| 350 | Q | 77.8 | Confident | 87.2 | Confident | 153 Ų | 153 | 71.3 Ų | 71.3 | 72% | 0.715 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 152.6 | -176.9 | -63.9 | -174.7 | -3.1 | 0 | 0 | 112.4 | M347 F348 | M347-Q350 PolarHBondContact N-O 2.93Å; M347-Q350 PolarHBondContact O-N 3.29Å; F348-Q350 VanDerWaalsContact C-N 3.26Å; F348-Q350 PolarHBondContact O-N 2.82Å |
| 351 | R | 84.8 | Confident | 87.2 | Confident | 118 Ų | 118 | 70 Ų | 70 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.9 | 171.8 | -56.6 | -172.5 | -160.9 | 147.4 | 24.8 | 108.3 | E342 F344 | E342-R351 IonicContact OE1-NH1 2.7Å; E342-R351 IonicContact OE2-CZ 3.96Å; E342-R351 IonicContact OE2-NH1 3.47Å; E342-R351 PolarHBondContact OE2-NH1 3.03Å; F344-R351 HydrophobicContact CB-CB 4.28Å; F344-R351 HydrophobicContact CD2-CB 3.74Å; F344-R351 HydrophobicContact CD2-CG 3.68Å; F344-R351 HydrophobicContact CE2-CB 4.31Å; F344-R351 HydrophobicContact CE2-CG 3.72Å; F344-R351 HydrophobicContact CG-CB 4.05Å; F344-R351 HydrophobicContact CG-CG 4.18Å; F344-R351 HydrophobicContact CZ-CG 4.26Å |
| 352 | K | 83.2 | Confident | 87.3 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 147.8 | 178.6 | -171 | -177.9 | 171.1 | -170.1 | 0 | 110.2 | D345 M347 L354 | D345-K352 PolarHBondContact N-O 2.85Å; D345-K352 PolarHBondContact O-N 3.02Å; M347-K352 HydrophobicContact CB-CB 4.21Å; M347-K352 HydrophobicContact CE-CD 4.32Å; M347-K352 HydrophobicContact CG-CB 3.87Å; M347-K352 HydrophobicContact CG-CD 3.7Å; M347-K352 HydrophobicContact CG-CG 4.41Å; M347-K352 HydrophobicContact SD-CD 4.45Å; K352-L354 VanDerWaalsContact C-N 3.29Å; K352-L354 PolarHBondContact O-N 3.07Å |
| 353 | D | 82.7 | Confident | 87.4 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 44.8 | 174 | -56 | -23.9 | 0 | 0 | 0 | 114.2 | R278 I355 | R278-D353 IonicContact CZ-OD2 3.54Å; R278-D353 IonicContact NH1-OD2 2.89Å; R278-D353 PolarHBondContact NH1-OD2 3.05Å; R278-D353 VanDerWaalsContact NH2-CB 3.25Å; R278-D353 IonicContact NH2-OD2 3.86Å; R278-D353 PolarHBondContact NH2-OD2 3.3Å; D353-I355 PolarHBondContact O-N 2.78Å |
| 354 | L | 86.9 | Confident | 87.5 | Confident | 78 Ų | 78 | 77.5 Ų | 77.5 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 116 | -176.9 | 175.7 | 65.3 | 0 | 0 | 0 | 111.9 | E342 F344 K352 | E342-L354 HydrophobicContact CB-CD1 3.7Å; E342-L354 HydrophobicContact CG-CD1 3.95Å; F344-L354 HydrophobicContact CB-CB 4.4Å; F344-L354 HydrophobicContact CB-CD1 3.97Å; F344-L354 HydrophobicContact CD1-CD1 4.12Å; F344-L354 HydrophobicContact CG-CD1 4.41Å; K352-L354 VanDerWaalsContact C-N 3.29Å; K352-L354 PolarHBondContact O-N 3.07Å |
| 355 | I | 88.3 | Confident | 87.6 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.4 | 164.7 | -58.4 | 171.2 | 0 | 0 | 0 | 107.8 | E342 I343 D353 L357 F391 | E342-I355 WeakPolarHBondContact CA-O 3.35Å; I343-I355 HydrophobicContact CB-CB 4.31Å; I343-I355 PolarHBondContact N-O 2.89Å; I343-I355 PolarHBondContact O-N 2.87Å; D353-I355 PolarHBondContact O-N 2.78Å; I355-L357 HydrophobicContact CG2-CD2 4.03Å; I355-L357 HydrophobicContact CG2-CG 4.21Å; I355-F391 HydrophobicContact CD1-CD2 4.07Å; I355-F391 HydrophobicContact CD1-CE2 3.97Å; I355-F391 HydrophobicContact CD1-CZ 4.37Å; I355-F391 HydrophobicContact CG2-CB 4.47Å; I355-F391 HydrophobicContact CG2-CD2 4.26Å |
| 356 | K | 91.3 | Very high | 88 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 114.7 | 178.5 | -179.5 | 168.8 | 168.9 | 149.7 | 0 | 110 | E340 L341 I358 | E340-K356 HydrophobicContact CG-CD 4.38Å; E340-K356 HydrophobicContact CG-CG 4.2Å; E340-K356 WeakPolarHBondContact OE1-CE 3.45Å; E340-K356 IonicContact OE1-NZ 3.87Å; E340-K356 PolarHBondContact OE1-NZ 3.05Å; E340-K356 WeakPolarHBondContact OE2-CE 3.35Å; E340-K356 IonicContact OE2-NZ 3Å; E340-K356 PolarHBondContact OE2-NZ 2.87Å; L341-K356 WeakPolarHBondContact O-CA 3.45Å; K356-I358 HydrophobicContact CG-CG1 4.3Å |
| 357 | L | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.3 | 175.2 | -50.4 | -179.6 | 0 | 0 | 0 | 109.6 | P275 E340 L341 I355 L383 K384 A385 F391 A393 | P275-L357 HydrophobicContact CG-CD1 4.16Å; E340-L357 WeakPolarHBondContact CA-O 3.21Å; L341-L357 HydrophobicContact CB-CB 4.32Å; L341-L357 HydrophobicContact CD2-CD1 4.3Å; L341-L357 PolarHBondContact N-O 2.52Å; L341-L357 PolarHBondContact O-N 2.85Å; I355-L357 HydrophobicContact CG2-CD2 4.03Å; I355-L357 HydrophobicContact CG2-CG 4.21Å; L357-L383 HydrophobicContact CB-CB 3.7Å; L357-L383 HydrophobicContact CB-CD1 4.49Å; L357-L383 HydrophobicContact CD1-CB 4.49Å; L357-K384 WeakPolarHBondContact CA-O 3.5Å; L357-A385 HydrophobicContact CD2-CB 3.75Å; L357-F391 HydrophobicContact CD2-CB 4Å; L357-F391 WeakPolarHBondContact CD2-O 3.49Å; L357-A393 HydrophobicContact CD1-CB 3.87Å |
| 358 | I | 94.6 | Very high | 88.9 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.1 | -179.1 | -54 | 177.1 | 0 | 0 | 0 | 109.1 | T338 V339 E340 K356 K384 | T338-I358 HydrophobicContact CG2-CG2 3.8Å; V339-I358 WeakPolarHBondContact O-CA 3.24Å; E340-I358 HydrophobicContact CG-CG1 4.43Å; K356-I358 HydrophobicContact CG-CG1 4.3Å; I358-K384 PolarHBondContact N-O 3.33Å; I358-K384 PolarHBondContact O-N 3.26Å; I358-K384 VanDerWaalsContact O-N 3.08Å |
| 359 | G | 95.1 | Very high | 89.1 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 157.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V339 | V339-G359 PolarHBondContact N-O 3.15Å; V339-G359 PolarHBondContact O-N 3.39Å |
| 360 | K | 95.4 | Very high | 89.1 | Confident | 130 Ų | 130 | 60 Ų | 60 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.3 | 178.6 | -65.6 | -176.5 | 177.6 | -178.4 | 0 | 109.7 | L337 T338 L381 | L337-K360 CarbonylContact O-C 3.52Å; L337-K360 WeakPolarHBondContact O-CA 3.23Å; T338-K360 HydrophobicContact CG2-CG 4.34Å; K360-L381 VanDerWaalsContact C-CD2 3.47Å |
| 361 | A | 96.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | D336 L337 Q365 L366 A379 L381 | D336-A361 CarbonylContact C-O 3.58Å; D336-A361 WeakPolarHBondContact CA-O 3.28Å; L337-A361 HydrophobicContact CB-CB 4.5Å; L337-A361 PolarHBondContact N-O 3.1Å; L337-A361 PolarHBondContact O-N 3.43Å; A361-Q365 VanDerWaalsContact CA-OE1 3.27Å; A361-Q365 HydrophobicContact CB-CB 4.38Å; A361-L366 HydrophobicContact CB-CD2 3.88Å; A361-L366 HydrophobicContact CB-CG 4.11Å; A361-A379 HydrophobicContact CB-CB 4.46Å; A361-L381 HydrophobicContact CB-CD1 4.03Å; A361-L381 HydrophobicContact CB-CD2 3.7Å; A361-L381 HydrophobicContact CB-CG 3.87Å |
| 362 | T | 95.6 | Very high | 87.8 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 36% | 0.356 | 30% | 0.295 | S | S | . | . | trans | -69.2 | 161.4 | 173 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | D364 Q365 L366 | T362-D364 PolarHBondContact O-N 2.86Å; T362-Q365 WeakPolarHBondContact O-CB 3.33Å; T362-Q365 PolarHBondContact O-N 3.34Å; T362-Q365 VanDerWaalsContact O-N 3.09Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.27Å; T362-Q365 PolarHBondContact OG1-N 3.24Å; T362-L366 WeakPolarHBondContact O-CG 3.3Å; T362-L366 PolarHBondContact O-N 3.04Å | ||
| 363 | L | 94.2 | Very high | 86.9 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.1 | -41.9 | 175.1 | 178.6 | 59.6 | 0 | 0 | 0 | 112.1 | I264 F329 R331 A334 Q365 L366 L367 | I264-L363 HydrophobicContact CD1-CD1 3.61Å; F329-L363 HydrophobicContact CB-CD1 3.76Å; F329-L363 HydrophobicContact CB-CD2 4.36Å; F329-L363 HydrophobicContact CD2-CD1 3.91Å; F329-L363 HydrophobicContact CD2-CD2 3.96Å; F329-L363 HydrophobicContact CD2-CG 4.46Å; F329-L363 HydrophobicContact CG-CD1 3.92Å; R331-L363 HydrophobicContact CG-CD2 4.25Å; A334-L363 HydrophobicContact CB-CB 4.2Å; A334-L363 HydrophobicContact CB-CD2 3.86Å; L363-Q365 VanDerWaalsContact C-N 3.28Å; L363-Q365 PolarHBondContact O-N 2.85Å; L363-L366 WeakPolarHBondContact O-CB 3.37Å; L363-L366 PolarHBondContact O-N 3.29Å; L363-L367 HydrophobicContact CD1-CD1 4.02Å; L363-L367 HydrophobicContact CD1-CD2 4.21Å; L363-L367 HydrophobicContact CD1-CG 3.9Å; L363-L367 HydrophobicContact CD2-CD1 4.37Å; L363-L367 HydrophobicContact CG-CD1 3.83Å; L363-L367 HydrophobicContact CG-CG 4.16Å; L363-L367 WeakPolarHBondContact O-CG 3.31Å; L363-L367 PolarHBondContact O-N 3.02Å |
| 364 | D | 91.8 | Very high | 86.6 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64 | -32.4 | 178.7 | -70.3 | -40.7 | 0 | 0 | 0 | 112.9 | R331 T362 L366 | R331-D364 IonicContact CZ-OD1 3.8Å; R331-D364 IonicContact NH1-OD1 3.72Å; R331-D364 PolarHBondContact NH1-OD1 3.19Å; T362-D364 PolarHBondContact O-N 2.86Å; D364-L366 VanDerWaalsContact C-N 3.27Å; D364-L366 PolarHBondContact O-N 3.22Å |
| 365 | Q | 92.8 | Very high | 86.4 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.5 | -22.5 | 173.1 | -70.9 | 172.9 | -35.7 | 0 | 0 | 112.8 | A361 T362 L363 N377 A379 | A361-Q365 VanDerWaalsContact CA-OE1 3.27Å; A361-Q365 HydrophobicContact CB-CB 4.38Å; T362-Q365 WeakPolarHBondContact O-CB 3.33Å; T362-Q365 PolarHBondContact O-N 3.34Å; T362-Q365 VanDerWaalsContact O-N 3.09Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.27Å; T362-Q365 PolarHBondContact OG1-N 3.24Å; L363-Q365 VanDerWaalsContact C-N 3.28Å; L363-Q365 PolarHBondContact O-N 2.85Å; Q365-N377 PolarHBondContact O-ND2 3.42Å; Q365-A379 VanDerWaalsContact O-CB 3.3Å; Q365-A379 WeakPolarHBondContact O-CB 3.45Å |
| 366 | L | 92.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -88.9 | -26.3 | 178.1 | -62.3 | 168.6 | 0 | 0 | 0 | 112.6 | I264 Y287 F327 L337 A361 T362 L363 D364 A379 T399 | I264-L366 HydrophobicContact CD1-CB 4.01Å; I264-L366 HydrophobicContact CD1-CD1 4.36Å; Y287-L366 HydrophobicContact CE2-CD1 4.43Å; F327-L366 HydrophobicContact CZ-CD1 4.47Å; L337-L366 HydrophobicContact CB-CD1 3.65Å; L337-L366 HydrophobicContact CB-CD2 4.3Å; L337-L366 HydrophobicContact CD2-CD1 4.48Å; L337-L366 HydrophobicContact CD2-CD2 3.83Å; A361-L366 HydrophobicContact CB-CD2 3.88Å; A361-L366 HydrophobicContact CB-CG 4.11Å; T362-L366 WeakPolarHBondContact O-CG 3.3Å; T362-L366 PolarHBondContact O-N 3.04Å; L363-L366 WeakPolarHBondContact O-CB 3.37Å; L363-L366 PolarHBondContact O-N 3.29Å; D364-L366 VanDerWaalsContact C-N 3.27Å; D364-L366 PolarHBondContact O-N 3.22Å; L366-A379 HydrophobicContact CD2-CB 3.85Å; L366-T399 HydrophobicContact CB-CG2 4.38Å; L366-T399 HydrophobicContact CD2-CG2 4Å; L366-T399 WeakPolarHBondContact O-CB 3.27Å; L366-T399 PolarHBondContact O-OG1 3.47Å |
| 367 | L | 91.8 | Very high | 86.4 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -82.9 | 156.9 | 179 | -65.9 | 178.1 | 0 | 0 | 0 | 111.3 | I264 F329 R331 L363 N377 V401 | I264-L367 HydrophobicContact CD1-CD2 4.16Å; I264-L367 HydrophobicContact CG1-CD2 4.25Å; F329-L367 HydrophobicContact CD1-CD2 4.42Å; F329-L367 HydrophobicContact CD2-CD1 4.37Å; F329-L367 HydrophobicContact CD2-CD2 4.25Å; F329-L367 HydrophobicContact CE1-CD2 3.93Å; F329-L367 HydrophobicContact CE2-CD1 3.95Å; F329-L367 HydrophobicContact CE2-CD2 3.75Å; F329-L367 HydrophobicContact CE2-CG 4.5Å; F329-L367 HydrophobicContact CZ-CD2 3.56Å; R331-L367 HydrophobicContact CG-CD1 4.48Å; L363-L367 HydrophobicContact CD1-CD1 4.02Å; L363-L367 HydrophobicContact CD1-CD2 4.21Å; L363-L367 HydrophobicContact CD1-CG 3.9Å; L363-L367 HydrophobicContact CD2-CD1 4.37Å; L363-L367 HydrophobicContact CG-CD1 3.83Å; L363-L367 HydrophobicContact CG-CG 4.16Å; L363-L367 WeakPolarHBondContact O-CG 3.31Å; L363-L367 PolarHBondContact O-N 3.02Å; L367-N377 PolarHBondContact O-ND2 2.81Å; L367-V401 HydrophobicContact CD2-CG2 3.6Å |
| 368 | P | 88.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 137.6 | 172.4 | -25.4 | 34.8 | 0 | 0 | 0 | 111.5 | S374 V401 | P368-S374 WeakPolarHBondContact CB-O 3.16Å; P368-V401 HydrophobicContact CG-CG2 4.24Å |
| 369 | P | 82 | Confident | 86.3 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 160.5 | 177.7 | 26.5 | -33.4 | 0 | 0 | 0 | 111.3 | N371 S372 | P369-N371 PolarHBondContact O-N 3.25Å; P369-S372 WeakPolarHBondContact O-CB 3.49Å; P369-S372 PolarHBondContact O-N 3.42Å |
| 370 | S | 71.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 62 Ų | 62 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 134.6 | 172.8 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | S372 | S370-S372 PolarHBondContact O-N 2.78Š|
| 371 | N | 65.4 | Low | 86.2 | Confident | 150 Ų | 150 | 56.2 Ų | 56.2 | 80% | 0.802 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 9.7 | -173.9 | -48.7 | -43 | 0 | 0 | 0 | 116 | P369 K373 | P369-N371 PolarHBondContact O-N 3.25Å; N371-K373 PolarHBondContact O-N 3.35Å |
| 372 | S | 69.9 | Low | 86.1 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | trans | -60 | 129.7 | 170.9 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | P369 S370 S374 | P369-S372 WeakPolarHBondContact O-CB 3.49Å; P369-S372 PolarHBondContact O-N 3.42Å; S370-S372 PolarHBondContact O-N 2.78Å; S372-S374 PolarHBondContact O-N 3.03Å; S372-S374 PolarHBondContact OG-N 3.41Å; S372-S374 VanDerWaalsContact OG-N 3.1Å; S372-S374 PolarHBondContact OG-O 3.1Å | ||
| 373 | K | 64.9 | Low | 86 | Confident | 144 Ų | 144 | 58.1 Ų | 58.1 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -77.1 | -7.4 | 171.1 | -60.9 | 179.8 | -176.8 | 176.3 | 0 | 112.2 | N371 | N371-K373 PolarHBondContact O-N 3.35Š|
| 374 | S | 76.3 | Confident | 85.8 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -123.9 | 142.3 | -170.7 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | L256 P368 S372 H376 | L256-S374 WeakPolarHBondContact CD1-O 3.43Å; P368-S374 WeakPolarHBondContact CB-O 3.16Å; S372-S374 PolarHBondContact O-N 3.03Å; S372-S374 PolarHBondContact OG-N 3.41Å; S372-S374 VanDerWaalsContact OG-N 3.1Å; S372-S374 PolarHBondContact OG-O 3.1Å; S374-H376 PolarHBondContact O-N 2.8Å; S374-H376 WeakPolarHBondContact OG-CB 3.24Å; S374-H376 PolarHBondContact OG-CD2 3.3Å; S374-H376 VanDerWaalsContact OG-CD2 3.3Å; S374-H376 PolarHBondContact OG-N 3.39Å |
| 375 | A | 83.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -71.6 | -5.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L256 S400 V401 T606 | L256-A375 HydrophobicContact CD1-CB 4.38Å; A375-S400 CarbonylContact O-C 3.56Å; A375-S400 VanDerWaalsContact O-CA 3.31Å; A375-S400 WeakPolarHBondContact O-CA 3.33Å; A375-V401 PolarHBondContact O-N 2.81Å; A375-T606 HydrophobicContact CB-CG2 3.94Å |
| 376 | H | 87.7 | Confident | 84.5 | Confident | 103 Ų | 103 | 60.6 Ų | 60.6 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 149.8 | 177.6 | -60.6 | -86.3 | 0 | 0 | 0 | 111.9 | S374 T399 S400 | S374-H376 PolarHBondContact O-N 2.8Å; S374-H376 WeakPolarHBondContact OG-CB 3.24Å; S374-H376 PolarHBondContact OG-CD2 3.3Å; S374-H376 VanDerWaalsContact OG-CD2 3.3Å; S374-H376 PolarHBondContact OG-N 3.39Å; H376-T399 CarbonylContact C-O 3.34Å; H376-T399 VanDerWaalsContact CA-O 3.23Å; H376-T399 WeakPolarHBondContact CA-O 3.35Å; H376-S400 VanDerWaalsContact ND1-CB 3.35Å; H376-S400 WeakPolarHBondContact ND1-CB 3.45Å |
| 377 | N | 91.7 | Very high | 83.3 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 165 | 169.8 | -172.1 | 32.6 | 0 | 0 | 0 | 110.3 | Q365 L367 T398 T399 | Q365-N377 PolarHBondContact O-ND2 3.42Å; L367-N377 PolarHBondContact O-ND2 2.81Å; N377-T398 CarbonylContact O-C 3.53Å; N377-T398 WeakPolarHBondContact O-CA 3.3Å; N377-T399 WeakPolarHBondContact CB-OG1 3.46Å; N377-T399 PolarHBondContact N-O 3.38Å; N377-T399 PolarHBondContact O-N 2.89Å; N377-T399 PolarHBondContact O-OG1 3.44Å |
| 378 | V | 92.7 | Very high | 81.6 | Confident | 69 Ų | 69 | 77.8 Ų | 77.8 | 42% | 0.418 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 109.2 | 169.8 | -178 | 0 | 0 | 0 | 0 | 108 | E380 N396 T398 | V378-E380 HydrophobicContact CG1-CG 4.48Å; V378-N396 HydrophobicContact CG1-CB 3.96Å; V378-T398 HydrophobicContact CG2-CG2 4.41Å |
| 379 | A | 93.4 | Very high | 80.7 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.033 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A361 Q365 L366 L381 N396 V397 | A361-A379 HydrophobicContact CB-CB 4.46Å; Q365-A379 VanDerWaalsContact O-CB 3.3Å; Q365-A379 WeakPolarHBondContact O-CB 3.45Å; L366-A379 HydrophobicContact CD2-CB 3.85Å; A379-L381 HydrophobicContact CB-CD1 4.31Å; A379-L381 WeakPolarHBondContact O-CD1 3.41Å; A379-N396 CarbonylContact O-C 3.54Å; A379-N396 WeakPolarHBondContact O-CA 3.5Å; A379-V397 HydrophobicContact CB-CB 4.42Å; A379-V397 PolarHBondContact N-O 2.96Å; A379-V397 PolarHBondContact O-N 3.46Å |
| 380 | E | 94.5 | Very high | 80.5 | Confident | 140 Ų | 140 | 85.5 Ų | 85.5 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.5 | 174.5 | -57.4 | -158.9 | 146.4 | 0 | 0 | 110.3 | V378 N396 | V378-E380 HydrophobicContact CG1-CG 4.48Å; E380-N396 WeakPolarHBondContact CG-OD1 3.19Å; E380-N396 PolarHBondContact OE1-ND2 2.83Å |
| 381 | L | 94.6 | Very high | 81.2 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 5% | 0.052 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132 | 179.5 | -61.3 | 88.7 | 0 | 0 | 0 | 109.8 | V339 K360 A361 A379 L383 K394 V395 V397 | V339-L381 HydrophobicContact CB-CD2 4.34Å; V339-L381 HydrophobicContact CG2-CD2 3.83Å; K360-L381 VanDerWaalsContact C-CD2 3.47Å; A361-L381 HydrophobicContact CB-CD1 4.03Å; A361-L381 HydrophobicContact CB-CD2 3.7Å; A361-L381 HydrophobicContact CB-CG 3.87Å; A379-L381 HydrophobicContact CB-CD1 4.31Å; A379-L381 WeakPolarHBondContact O-CD1 3.41Å; L381-L383 HydrophobicContact CB-CD2 4.36Å; L381-K394 CarbonylContact O-C 3.5Å; L381-K394 WeakPolarHBondContact O-CA 3.14Å; L381-V395 HydrophobicContact CB-CB 4.42Å; L381-V395 PolarHBondContact N-O 2.74Å; L381-V395 PolarHBondContact O-N 3.35Å; L381-V397 HydrophobicContact CD1-CB 4.41Å; L381-V397 HydrophobicContact CD1-CG2 3.71Å |
| 382 | Q | 93.5 | Very high | 82.2 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121 | 165.1 | -163.3 | 173.4 | 32.6 | 0 | 0 | 109.3 | K384 | Q382-K384 HydrophobicContact CG-CG 4.49Å |
| 383 | L | 93 | Very high | 83.2 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.6 | 174.8 | -45.5 | -172.2 | 0 | 0 | 0 | 109.1 | L271 V339 L341 L357 L381 T392 A393 V395 | L271-L383 HydrophobicContact CD1-CD1 4.36Å; V339-L383 HydrophobicContact CB-CD2 4.09Å; V339-L383 HydrophobicContact CG1-CD1 4.36Å; V339-L383 HydrophobicContact CG1-CD2 4.12Å; L341-L383 HydrophobicContact CB-CD1 3.54Å; L341-L383 HydrophobicContact CD2-CD1 3.84Å; L341-L383 HydrophobicContact CG-CD1 4.35Å; L357-L383 HydrophobicContact CB-CB 3.7Å; L357-L383 HydrophobicContact CB-CD1 4.49Å; L357-L383 HydrophobicContact CD1-CB 4.49Å; L381-L383 HydrophobicContact CB-CD2 4.36Å; L383-T392 VanDerWaalsContact O-CA 3.28Å; L383-T392 WeakPolarHBondContact O-CA 3.18Å; L383-A393 HydrophobicContact CB-CB 4.31Å; L383-A393 HydrophobicContact CD1-CB 4.3Å; L383-A393 HydrophobicContact CG-CB 4.47Å; L383-A393 PolarHBondContact N-O 3.08Å; L383-A393 PolarHBondContact O-N 2.9Å; L383-A393 VanDerWaalsContact O-N 3.1Å; L383-V395 HydrophobicContact CD1-CG2 3.61Å; L383-V395 HydrophobicContact CD2-CG2 4.11Å; L383-V395 HydrophobicContact CG-CG2 3.89Å |
| 384 | K | 90.9 | Very high | 84.5 | Confident | 118 Ų | 118 | 76.4 Ų | 76.4 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 152.5 | 179.4 | -62.3 | -174.7 | -180 | -179.8 | 0 | 111.2 | L357 I358 Q382 T392 | L357-K384 WeakPolarHBondContact CA-O 3.5Å; I358-K384 PolarHBondContact N-O 3.33Å; I358-K384 PolarHBondContact O-N 3.26Å; I358-K384 VanDerWaalsContact O-N 3.08Å; Q382-K384 HydrophobicContact CG-CG 4.49Å; K384-T392 HydrophobicContact CG-CG2 4.34Å |
| 385 | A | 86.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 151 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | L357 K387 S389 | L357-A385 HydrophobicContact CD2-CB 3.75Å; A385-K387 VanDerWaalsContact C-N 3.3Å; A385-K387 PolarHBondContact O-N 3.28Å; A385-S389 WeakPolarHBondContact CB-OG 3.41Å |
| 386 | S | 70.6 | Confident | 85.9 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 78% | 0.783 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -79.9 | -7.3 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 387 | K | 66.4 | Low | 86.2 | Confident | 180 Ų | 180 | 69.5 Ų | 69.5 | 78% | 0.783 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -130.8 | 156.4 | -179.3 | -63.3 | -175.8 | 177.8 | -175.6 | 0 | 108.1 | A385 S389 | A385-K387 VanDerWaalsContact C-N 3.3Å; A385-K387 PolarHBondContact O-N 3.28Å; K387-S389 WeakPolarHBondContact O-CB 3.44Å; K387-S389 PolarHBondContact O-N 2.6Å |
| 388 | D | 57.7 | Low | 86.4 | Confident | 187 Ų | 187 | 69.5 Ų | 69.5 | 100% | 1 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -49.4 | 77.2 | -179.7 | -76.8 | -34.1 | 0 | 0 | 0 | 113.6 | ||
| 389 | S | 67.8 | Low | 86.4 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 34% | 0.343 | 34% | 0.338 | S | S | . | . | trans | -137.7 | 131.5 | -176.6 | 135.2 | 0 | 0 | 0 | 0 | 106.8 | A385 K387 F391 | A385-S389 WeakPolarHBondContact CB-OG 3.41Å; K387-S389 WeakPolarHBondContact O-CB 3.44Å; K387-S389 PolarHBondContact O-N 2.6Å; S389-F391 PolarHBondContact O-N 3.41Å; S389-F391 VanDerWaalsContact O-N 3.15Å; S389-F391 WeakPolarHBondContact OG-CD2 3.43Å; S389-F391 PolarHBondContact OG-N 2.83Å | ||
| 390 | E | 78.4 | Confident | 86.3 | Confident | 191 Ų | 191 | 66.7 Ų | 66.7 | 89% | 0.893 | 34% | 0.342 | S | S | * | . | trans | -72.2 | -4 | -177.8 | -61.8 | -172.8 | 159.2 | 0 | 0 | 113.7 | T392 | E390-T392 PolarHBondContact O-N 3.25Š| ||
| 391 | F | 85.1 | Confident | 86.2 | Confident | 68 Ų | 68 | 60 Ų | 60 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | trans | -64.7 | 124 | 179.6 | -61.6 | -55.2 | 0 | 0 | 0 | 112.4 | P275 I355 L357 S389 | P275-F391 HydrophobicContact CB-CD1 4.01Å; P275-F391 HydrophobicContact CG-CB 4.19Å; P275-F391 HydrophobicContact CG-CD1 4.11Å; P275-F391 HydrophobicContact CG-CG 4.41Å; I355-F391 HydrophobicContact CD1-CD2 4.07Å; I355-F391 HydrophobicContact CD1-CE2 3.97Å; I355-F391 HydrophobicContact CD1-CZ 4.37Å; I355-F391 HydrophobicContact CG2-CB 4.47Å; I355-F391 HydrophobicContact CG2-CD2 4.26Å; L357-F391 HydrophobicContact CD2-CB 4Å; L357-F391 WeakPolarHBondContact CD2-O 3.49Å; S389-F391 PolarHBondContact O-N 3.41Å; S389-F391 VanDerWaalsContact O-N 3.15Å; S389-F391 WeakPolarHBondContact OG-CD2 3.43Å; S389-F391 PolarHBondContact OG-N 2.83Å | ||
| 392 | T | 88.4 | Confident | 86 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 161.2 | 171.3 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | L383 K384 E390 | L383-T392 VanDerWaalsContact O-CA 3.28Å; L383-T392 WeakPolarHBondContact O-CA 3.18Å; K384-T392 HydrophobicContact CG-CG2 4.34Å; E390-T392 PolarHBondContact O-N 3.25Å |
| 393 | A | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 159.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L271 D273 L341 L357 L383 | L271-A393 HydrophobicContact CD1-CB 4.03Å; D273-A393 WeakPolarHBondContact O-CA 3.34Å; L341-A393 HydrophobicContact CD2-CB 3.92Å; L357-A393 HydrophobicContact CD1-CB 3.87Å; L383-A393 HydrophobicContact CB-CB 4.31Å; L383-A393 HydrophobicContact CD1-CB 4.3Å; L383-A393 HydrophobicContact CG-CB 4.47Å; L383-A393 PolarHBondContact N-O 3.08Å; L383-A393 PolarHBondContact O-N 2.9Å; L383-A393 VanDerWaalsContact O-N 3.1Å |
| 394 | K | 92.2 | Very high | 85.8 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.7 | 175.1 | -67.3 | -176 | -168.1 | 150.7 | 0 | 110.7 | L271 K272 D273 L381 | L271-K394 CarbonylContact C-O 3.55Å; L271-K394 WeakPolarHBondContact CA-O 3.42Å; K272-K394 HydrophobicContact CB-CB 4.4Å; K272-K394 PolarHBondContact N-O 2.84Å; K272-K394 PolarHBondContact O-N 3.27Å; D273-K394 WeakPolarHBondContact OD2-CD 3.32Å; D273-K394 VanDerWaalsContact OD2-CE 3.25Å; D273-K394 WeakPolarHBondContact OD2-CE 3.48Å; D273-K394 IonicContact OD2-NZ 3.99Å; D273-K394 PolarHBondContact OD2-NZ 3.49Å; D273-K394 VanDerWaalsContact OD2-NZ 3.12Å; L381-K394 CarbonylContact O-C 3.5Å; L381-K394 WeakPolarHBondContact O-CA 3.14Å |
| 395 | V | 94.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.2 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | I269 S270 L271 V339 L381 L383 V397 | I269-V395 HydrophobicContact CG2-CG1 3.66Å; S270-V395 CarbonylContact O-C 3.51Å; S270-V395 WeakPolarHBondContact O-CA 3.48Å; L271-V395 HydrophobicContact CB-CG2 4.44Å; L271-V395 HydrophobicContact CD1-CG2 3.33Å; L271-V395 HydrophobicContact CG-CG2 4.44Å; V339-V395 HydrophobicContact CG1-CG1 4.5Å; V339-V395 HydrophobicContact CG1-CG2 4.26Å; L381-V395 HydrophobicContact CB-CB 4.42Å; L381-V395 PolarHBondContact N-O 2.74Å; L381-V395 PolarHBondContact O-N 3.35Å; L383-V395 HydrophobicContact CD1-CG2 3.61Å; L383-V395 HydrophobicContact CD2-CG2 4.11Å; L383-V395 HydrophobicContact CG-CG2 3.89Å; V395-V397 HydrophobicContact CG1-CG2 3.79Å |
| 396 | N | 94.8 | Very high | 86.3 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.1 | 170.2 | -68.7 | 15 | 0 | 0 | 0 | 107.7 | I269 S270 V378 A379 E380 | I269-N396 WeakPolarHBondContact CA-O 3.48Å; S270-N396 PolarHBondContact N-O 3.32Å; S270-N396 PolarHBondContact O-N 3.27Å; V378-N396 HydrophobicContact CG1-CB 3.96Å; A379-N396 CarbonylContact O-C 3.54Å; A379-N396 WeakPolarHBondContact O-CA 3.5Å; E380-N396 WeakPolarHBondContact CG-OD1 3.19Å; E380-N396 PolarHBondContact OE1-ND2 2.83Å |
| 397 | V | 94.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 108.4 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | V266 I269 L337 A379 L381 V395 T399 | V266-V397 HydrophobicContact CG1-CG1 3.72Å; V266-V397 HydrophobicContact CG2-CG1 4.15Å; I269-V397 HydrophobicContact CG1-CG1 4.32Å; I269-V397 HydrophobicContact CG1-CG2 4.45Å; L337-V397 HydrophobicContact CD2-CG1 4.2Å; L337-V397 HydrophobicContact CD2-CG2 4.28Å; A379-V397 HydrophobicContact CB-CB 4.42Å; A379-V397 PolarHBondContact N-O 2.96Å; A379-V397 PolarHBondContact O-N 3.46Å; L381-V397 HydrophobicContact CD1-CB 4.41Å; L381-V397 HydrophobicContact CD1-CG2 3.71Å; V395-V397 HydrophobicContact CG1-CG2 3.79Å; V397-T399 HydrophobicContact CG1-CG2 3.99Å |
| 398 | T | 94.4 | Very high | 89.1 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.9 | 171.7 | -53 | 0 | 0 | 0 | 0 | 108.2 | V266 P267 S268 N377 V378 | V266-T398 WeakPolarHBondContact CA-O 3.36Å; V266-T398 WeakPolarHBondContact CG1-O 3.28Å; P267-T398 WeakPolarHBondContact CD-O 3.43Å; S268-T398 WeakPolarHBondContact O-CB 3.47Å; S268-T398 PolarHBondContact O-N 3.41Å; S268-T398 VanDerWaalsContact OG-CB 3.26Å; S268-T398 WeakPolarHBondContact OG-CB 3.48Å; S268-T398 PolarHBondContact OG-OG1 3.37Å; N377-T398 CarbonylContact O-C 3.53Å; N377-T398 WeakPolarHBondContact O-CA 3.3Å; V378-T398 HydrophobicContact CG2-CG2 4.41Å |
| 399 | T | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 154.8 | 179.3 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | I264 H265 L366 H376 N377 V397 | I264-T399 HydrophobicContact CG2-CG2 4Å; H265-T399 CarbonylContact O-C 3.55Å; H265-T399 VanDerWaalsContact O-CA 3.28Å; H265-T399 WeakPolarHBondContact O-CA 3.46Å; L366-T399 HydrophobicContact CB-CG2 4.38Å; L366-T399 HydrophobicContact CD2-CG2 4Å; L366-T399 WeakPolarHBondContact O-CB 3.27Å; L366-T399 PolarHBondContact O-OG1 3.47Å; H376-T399 CarbonylContact C-O 3.34Å; H376-T399 VanDerWaalsContact CA-O 3.23Å; H376-T399 WeakPolarHBondContact CA-O 3.35Å; N377-T399 WeakPolarHBondContact CB-OG1 3.46Å; N377-T399 PolarHBondContact N-O 3.38Å; N377-T399 PolarHBondContact O-N 2.89Å; N377-T399 PolarHBondContact O-OG1 3.44Å; V397-T399 HydrophobicContact CG1-CG2 3.99Å |
| 400 | S | 91.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.4 | 164.6 | 71.2 | 0 | 0 | 0 | 0 | 109.9 | H265 A375 H376 | H265-S400 WeakPolarHBondContact CB-O 3.46Å; H265-S400 WeakPolarHBondContact CB-OG 3.38Å; H265-S400 PolarHBondContact N-O 2.63Å; H265-S400 PolarHBondContact O-N 3.45Å; A375-S400 CarbonylContact O-C 3.56Å; A375-S400 VanDerWaalsContact O-CA 3.31Å; A375-S400 WeakPolarHBondContact O-CA 3.33Å; H376-S400 VanDerWaalsContact ND1-CB 3.35Å; H376-S400 WeakPolarHBondContact ND1-CB 3.45Å |
| 401 | V | 91.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.1 | -179.1 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | I259 I264 F329 L367 P368 A375 L403 T606 | I259-V401 HydrophobicContact CD1-CG1 4.22Å; I264-V401 HydrophobicContact CG1-CG2 4.5Å; F329-V401 HydrophobicContact CE1-CG1 3.94Å; F329-V401 HydrophobicContact CZ-CG1 4.03Å; L367-V401 HydrophobicContact CD2-CG2 3.6Å; P368-V401 HydrophobicContact CG-CG2 4.24Å; A375-V401 PolarHBondContact O-N 2.81Å; V401-L403 HydrophobicContact CG1-CD2 4.16Å; V401-T606 HydrophobicContact CG1-CG2 4.4Å; V401-T606 WeakPolarHBondContact O-CG2 3.38Å |
| 402 | N | 89.8 | Confident | 93.5 | Very high | 56 Ų | 56 | 32.2 Ų | 32.2 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.4 | 164.4 | -76.1 | -28.4 | 0 | 0 | 0 | 109.7 | G262 D263 H265 | G262-N402 CarbonylContact C-O 3.6Å; G262-N402 WeakPolarHBondContact CA-O 3.45Å; D263-N402 PolarHBondContact N-O 2.89Å; D263-N402 PolarHBondContact O-N 3.2Å; H265-N402 PolarHBondContact CD2-ND2 3.41Å; H265-N402 PolarHBondContact NE2-ND2 3.12Å; H265-N402 VanDerWaalsContact NE2-ND2 3.13Å |
| 403 | L | 90.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -96.4 | 165.3 | 174.4 | -53.9 | -174 | 0 | 0 | 0 | 110.1 | I259 V401 R405 R604 T606 | I259-L403 HydrophobicContact CB-CD2 4.31Å; I259-L403 HydrophobicContact CD1-CD1 4.47Å; I259-L403 HydrophobicContact CD1-CD2 3.84Å; I259-L403 HydrophobicContact CG1-CD1 4.43Å; I259-L403 HydrophobicContact CG1-CD2 3.95Å; I259-L403 HydrophobicContact CG2-CD2 3.37Å; V401-L403 HydrophobicContact CG1-CD2 4.16Å; L403-R405 HydrophobicContact CB-CG 4.16Å; L403-R405 HydrophobicContact CD1-CG 4.44Å; L403-R604 CarbonylContact O-C 3.57Å; L403-R604 WeakPolarHBondContact O-CA 3.39Å; L403-T606 HydrophobicContact CG-CG2 4.06Å | ||
| 404 | N | 91.6 | Very high | 93.7 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | trans | -142.6 | 66.1 | 168.8 | -173.3 | 25.3 | 0 | 0 | 0 | 108.9 | Y261 C603 R604 | Y261-N404 WeakPolarHBondContact CE2-O 3.48Å; N404-C603 CarbonylContact C-O 3.47Å; N404-C603 WeakPolarHBondContact CA-O 3.37Å; N404-R604 WeakPolarHBondContact OD1-CG 3.24Å | ||
| 405 | R | 93.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.6 | -173.4 | -62.9 | -164.8 | 174.4 | -85.7 | 4.3 | 111.4 | Y261 L403 L407 D454 D457 T459 E602 C603 | Y261-R405 WeakPolarHBondContact OH-CA 3.23Å; L403-R405 HydrophobicContact CB-CG 4.16Å; L403-R405 HydrophobicContact CD1-CG 4.44Å; R405-L407 HydrophobicContact CB-CD2 4.2Å; R405-L407 HydrophobicContact CB-CG 4.19Å; R405-D454 WeakPolarHBondContact CB-OD2 3.42Å; R405-D454 VanDerWaalsContact CD-OD2 3.31Å; R405-D454 WeakPolarHBondContact CD-OD2 3.2Å; R405-D454 WeakPolarHBondContact CG-OD2 3.48Å; R405-D454 IonicContact CZ-OD2 3.01Å; R405-D454 IonicContact NE-OD2 3.13Å; R405-D454 IonicContact NH1-OD2 2.61Å; R405-D454 PolarHBondContact NH1-OD2 3.15Å; R405-D457 IonicContact CZ-OD2 3.13Å; R405-D457 IonicContact NH1-OD1 3.92Å; R405-D457 PolarHBondContact NH1-OD1 3.23Å; R405-D457 IonicContact NH1-OD2 2.7Å; R405-D457 PolarHBondContact NH1-OD2 3.44Å; R405-D457 IonicContact NH2-OD2 3.8Å; R405-T459 PolarHBondContact NH1-OG1 3.26Å; R405-E602 CarbonylContact O-C 3.54Å; R405-E602 WeakPolarHBondContact O-CA 3.31Å; R405-C603 HydrophobicContact CB-CB 4.48Å; R405-C603 PolarHBondContact N-O 2.77Å; R405-C603 PolarHBondContact O-N 3.1Å |
| 406 | E | 95.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 102.5 | 166.5 | -174.2 | -176.2 | 177.6 | 0 | 0 | 108.2 | D454 T455 R600 | E406-D454 WeakPolarHBondContact O-CA 3.3Å; E406-T455 HydrophobicContact CG-CG2 4.48Å; E406-T455 PolarHBondContact O-N 3.24Å; E406-T455 PolarHBondContact O-OG1 3.42Å; E406-R600 VanDerWaalsContact OE1-CD 3.31Å; E406-R600 WeakPolarHBondContact OE1-CD 3.34Å; E406-R600 IonicContact OE1-CZ 3.33Å; E406-R600 IonicContact OE1-NE 2.7Å; E406-R600 IonicContact OE1-NH1 3.9Å; E406-R600 PolarHBondContact OE1-NH1 3.02Å |
| 407 | L | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.9 | -174.8 | -58 | 171.6 | 0 | 0 | 0 | 110.4 | R405 M452 V453 D454 Y461 R600 I601 T608 I612 | R405-L407 HydrophobicContact CB-CD2 4.2Å; R405-L407 HydrophobicContact CB-CG 4.19Å; L407-M452 HydrophobicContact CB-CB 4.42Å; L407-M452 HydrophobicContact CB-CE 3.53Å; L407-V453 CarbonylContact C-O 3.58Å; L407-V453 WeakPolarHBondContact CA-O 3.47Å; L407-D454 HydrophobicContact CD2-CB 3.91Å; L407-Y461 HydrophobicContact CD2-CD2 4.36Å; L407-Y461 HydrophobicContact CD2-CE2 4.38Å; L407-R600 WeakPolarHBondContact O-CA 3.33Å; L407-I601 HydrophobicContact CB-CB 4.34Å; L407-I601 PolarHBondContact N-O 3.13Å; L407-I601 PolarHBondContact O-N 3.34Å; L407-T608 HydrophobicContact CD1-CG2 4.03Å; L407-I612 HydrophobicContact CD1-CD1 3.68Å; L407-I612 HydrophobicContact CD1-CG1 3.76Å |
| 408 | Q | 98.1 | Very high | 93.5 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.1 | 173.1 | -174 | 174.7 | 11.3 | 0 | 0 | 111 | M452 V453 T455 K599 | Q408-M452 WeakPolarHBondContact O-CA 3.13Å; Q408-V453 PolarHBondContact N-O 3.5Å; Q408-V453 PolarHBondContact O-N 2.86Å; Q408-T455 HydrophobicContact CB-CG2 4.11Å; Q408-K599 CarbonylContact C-O 3.57Å; Q408-K599 WeakPolarHBondContact CA-O 3.24Å |
| 409 | L | 97.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.5 | 175.2 | 174.8 | 62.6 | 0 | 0 | 0 | 111.2 | V411 H450 M452 K599 F616 L648 A651 | L409-V411 HydrophobicContact CD1-CG2 4.33Å; L409-V411 HydrophobicContact CD2-CG2 3.82Å; L409-V411 HydrophobicContact CG-CG2 3.77Å; L409-H450 HydrophobicContact CD1-CB 3.74Å; L409-M452 HydrophobicContact CB-CE 4.09Å; L409-M452 HydrophobicContact CB-SD 3.7Å; L409-M452 HydrophobicContact CD1-SD 3.52Å; L409-M452 VanDerWaalsContact CD1-SD 3.52Å; L409-M452 HydrophobicContact CG-SD 4.18Å; L409-K599 HydrophobicContact CB-CB 4.39Å; L409-K599 WeakPolarHBondContact CB-O 3.38Å; L409-K599 PolarHBondContact N-O 2.93Å; L409-F616 HydrophobicContact CD1-CZ 4.03Å; L409-L648 HydrophobicContact CD2-CD1 3.9Å; L409-A651 HydrophobicContact CD2-CB 4.19Å |
| 410 | L | 96.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107.3 | 165.7 | -51.3 | 178.7 | 0 | 0 | 0 | 108.1 | G412 H450 S451 V453 | L410-G412 PolarHBondContact O-N 2.85Å; L410-H450 WeakPolarHBondContact O-CA 3.18Å; L410-H450 WeakPolarHBondContact O-CB 3.49Å; L410-S451 PolarHBondContact N-O 3.24Å; L410-S451 PolarHBondContact O-N 3.38Å; L410-V453 HydrophobicContact CD1-CG2 3.92Å |
| 411 | V | 94.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 60 Ų | 60 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | trans | -78.5 | 115.8 | -174.2 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | L409 A651 | L409-V411 HydrophobicContact CD1-CG2 4.33Å; L409-V411 HydrophobicContact CD2-CG2 3.82Å; L409-V411 HydrophobicContact CG-CG2 3.77Å; V411-A651 HydrophobicContact CG1-CB 4.31Å; V411-A651 HydrophobicContact CG2-CB 4.35Å | ||
| 412 | G | 93.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 67.7 Ų | 67.7 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | trans | -83.2 | 174.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L410 S449 H450 | L410-G412 PolarHBondContact O-N 2.85Å; G412-S449 WeakPolarHBondContact CA-O 3.46Å; G412-H450 PolarHBondContact N-ND1 3.21Å; G412-H450 VanDerWaalsContact N-ND1 3.13Å; G412-H450 PolarHBondContact O-CE1 2.77Å | ||
| 413 | D | 90.1 | Very high | 92.4 | Very high | 132 Ų | 132 | 66.8 Ų | 66.8 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | trans | -92.9 | 154 | -175.6 | -65.1 | -54 | 0 | 0 | 0 | 113.2 | A448 | D413-A448 WeakPolarHBondContact O-CA 3.3Š| ||
| 414 | F | 92.3 | Very high | 92.5 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.5 | 171.2 | -82.9 | -87.5 | 0 | 0 | 0 | 110.5 | H446 I447 A448 V465 H467 A651 G653 R656 | F414-H446 HydrophobicContact CD1-CB 4.12Å; F414-I447 CarbonylContact C-O 3.59Å; F414-I447 WeakPolarHBondContact CA-O 3.44Å; F414-A448 HydrophobicContact CD1-CB 3.73Å; F414-A448 HydrophobicContact CD2-CB 3.61Å; F414-A448 HydrophobicContact CE1-CB 3.63Å; F414-A448 HydrophobicContact CE2-CB 3.49Å; F414-A448 VanDerWaalsContact CE2-CB 3.49Å; F414-A448 HydrophobicContact CG-CB 3.73Å; F414-A448 HydrophobicContact CZ-CB 3.51Å; F414-V465 HydrophobicContact CZ-CB 4.47Å; F414-H467 AromaticContact CE1-CD2 3.85Å; F414-A651 WeakPolarHBondContact CE2-O 3.35Å; F414-A651 WeakPolarHBondContact CZ-O 3.25Å; F414-G653 VanDerWaalsContact CE2-CA 3.42Å; F414-R656 HydrophobicContact CD2-CG 4.27Å; F414-R656 HydrophobicContact CG-CG 4.27Å |
| 415 | V | 93.9 | Very high | 92.5 | Very high | 92 Ų | 92 | 69 Ų | 69 | 56% | 0.558 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | H446 I447 | V415-H446 WeakPolarHBondContact O-CA 3.32Å; V415-I447 PolarHBondContact N-O 3.06Å; V415-I447 PolarHBondContact O-N 3.12Å |
| 416 | E | 92.8 | Very high | 92.5 | Very high | 119 Ų | 119 | 69.1 Ų | 69.1 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.6 | 169.8 | -173.8 | 171.3 | -174.1 | 0 | 0 | 109.9 | T444 H446 | E416-T444 PolarHBondContact OE1-OG1 2.91Å; E416-H446 IonicContact OE2-CE1 3.81Å |
| 417 | R | 92.4 | Very high | 92.3 | Very high | 158 Ų | 158 | 70.1 Ų | 70.1 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 132.7 | -178 | -170.2 | 172.2 | -178.4 | 173.4 | 1.4 | 110.2 | T444 V445 | R417-T444 WeakPolarHBondContact O-CA 3.15Å; R417-V445 PolarHBondContact N-O 3.34Å; R417-V445 WeakPolarHBondContact O-CG2 3.47Å; R417-V445 PolarHBondContact O-N 2.89Å |
| 418 | Q | 93.2 | Very high | 92.2 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 136 | 168.4 | -172.1 | 175.2 | -3.5 | 0 | 0 | 110 | A441 N442 T444 | Q418-A441 PolarHBondContact NE2-O 3.18Å; Q418-N442 PolarHBondContact NE2-OD1 3.24Å; Q418-T444 HydrophobicContact CB-CG2 4.46Å |
| 419 | L | 91.3 | Very high | 92 | Very high | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 125.9 | 176.6 | -69 | 177.5 | 0 | 0 | 0 | 110.2 | L425 A426 A429 L439 S443 V445 L471 | L419-L425 HydrophobicContact CD2-CD2 4.08Å; L419-L425 HydrophobicContact CD2-CG 3.92Å; L419-A426 HydrophobicContact CB-CB 4.19Å; L419-A429 HydrophobicContact CD1-CB 3.79Å; L419-A429 HydrophobicContact CD2-CB 4.4Å; L419-L439 HydrophobicContact CD1-CD1 3.77Å; L419-S443 PolarHBondContact N-O 2.87Å; L419-V445 HydrophobicContact CD1-CG1 3.81Å; L419-V445 HydrophobicContact CD2-CG1 3.99Å; L419-V445 HydrophobicContact CD2-CG2 3.67Å; L419-V445 HydrophobicContact CG-CG1 3.91Å; L419-V445 HydrophobicContact CG-CG2 4.12Å; L419-L471 HydrophobicContact CD1-CD1 4.31Å |
| 420 | S | 88.8 | Confident | 91.7 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 51% | 0.51 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 124.9 | 169.6 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | D422 S423 A426 | S420-D422 PolarHBondContact O-N 3.13Å; S420-D422 VanDerWaalsContact O-N 3.1Å; S420-S423 WeakPolarHBondContact O-CB 3.47Å; S420-S423 PolarHBondContact O-N 3.05Å; S420-S423 PolarHBondContact O-OG 3.18Å; S420-A426 WeakPolarHBondContact O-CB 3.3Å |
| 421 | A | 81 | Confident | 91.4 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -35.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 422 | D | 84.8 | Confident | 91.4 | Very high | 161 Ų | 161 | 63.6 Ų | 63.6 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.4 | -177.2 | -55.3 | -45.4 | 0 | 0 | 0 | 113.6 | S420 | S420-D422 PolarHBondContact O-N 3.13Å; S420-D422 VanDerWaalsContact O-N 3.1Å |
| 423 | S | 91.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 62.6 Ų | 62.6 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -81.3 | 143.5 | 178.4 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | S420 L425 A426 Y427 | S420-S423 WeakPolarHBondContact O-CB 3.47Å; S420-S423 PolarHBondContact O-N 3.05Å; S420-S423 PolarHBondContact O-OG 3.18Å; S423-L425 PolarHBondContact O-N 3.33Å; S423-A426 PolarHBondContact O-N 3.13Å; S423-A426 WeakPolarHBondContact OG-CB 3.46Å; S423-A426 PolarHBondContact OG-N 3.08Å; S423-A426 VanDerWaalsContact OG-N 3.11Å; S423-Y427 PolarHBondContact O-N 3.26Å; S423-Y427 VanDerWaalsContact O-N 3.11Å |
| 424 | H | 92.3 | Very high | 91.3 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.9 | -33.8 | 172.1 | -176.6 | -132.5 | 0 | 0 | 0 | 112 | L249 Y427 L428 | L249-H424 PolarHBondContact O-NE2 3.44Å; H424-Y427 AromaticContact CD2-CD1 3.99Å; H424-Y427 WeakPolarHBondContact O-CB 3.38Å; H424-Y427 PolarHBondContact O-N 3.23Å; H424-L428 WeakPolarHBondContact O-CG 3.45Å; H424-L428 PolarHBondContact O-N 3.09Å |
| 425 | L | 92.8 | Very high | 91 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.5 | 174.3 | 62.4 | 0 | 0 | 0 | 112.9 | L419 S423 Y427 L428 A429 I447 I466 M475 | L419-L425 HydrophobicContact CD2-CD2 4.08Å; L419-L425 HydrophobicContact CD2-CG 3.92Å; S423-L425 PolarHBondContact O-N 3.33Å; L425-Y427 VanDerWaalsContact C-N 3.33Å; L425-L428 PolarHBondContact O-N 2.81Å; L425-A429 WeakPolarHBondContact O-CB 3.39Å; L425-A429 PolarHBondContact O-N 2.91Å; L425-I447 HydrophobicContact CD2-CD1 3.54Å; L425-I466 HydrophobicContact CD1-CD1 3.54Å; L425-M475 HydrophobicContact CD1-CE 4.23Å |
| 426 | A | 92.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L419 S420 S423 A429 Q430 | L419-A426 HydrophobicContact CB-CB 4.19Å; S420-A426 WeakPolarHBondContact O-CB 3.3Å; S423-A426 PolarHBondContact O-N 3.13Å; S423-A426 WeakPolarHBondContact OG-CB 3.46Å; S423-A426 PolarHBondContact OG-N 3.08Å; S423-A426 VanDerWaalsContact OG-N 3.11Å; A426-A429 PolarHBondContact O-N 2.81Å; A426-Q430 WeakPolarHBondContact O-CB 3.45Å; A426-Q430 PolarHBondContact O-N 2.87Å |
| 427 | Y | 92 | Very high | 89.5 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 172.1 | 173.1 | -110.7 | 0 | 0 | 0 | 112.2 | L249 S423 H424 L425 A429 Q430 C431 | L249-Y427 HydrophobicContact CD2-CE1 3.79Å; S423-Y427 PolarHBondContact O-N 3.26Å; S423-Y427 VanDerWaalsContact O-N 3.11Å; H424-Y427 AromaticContact CD2-CD1 3.99Å; H424-Y427 WeakPolarHBondContact O-CB 3.38Å; H424-Y427 PolarHBondContact O-N 3.23Å; L425-Y427 VanDerWaalsContact C-N 3.33Å; Y427-A429 PolarHBondContact O-N 3Å; Y427-Q430 WeakPolarHBondContact O-CB 3.44Å; Y427-Q430 PolarHBondContact O-N 3.13Å; Y427-C431 PolarHBondContact O-N 2.74Å; Y427-C431 PolarHBondContact O-SG 2.93Å |
| 428 | L | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.2 | -67.1 | 179.8 | 0 | 0 | 0 | 112.1 | H424 L425 C431 A432 M475 L477 L485 M488 | H424-L428 WeakPolarHBondContact O-CG 3.45Å; H424-L428 PolarHBondContact O-N 3.09Å; L425-L428 PolarHBondContact O-N 2.81Å; L428-C431 WeakPolarHBondContact O-CB 3.16Å; L428-C431 PolarHBondContact O-N 3.08Å; L428-A432 VanDerWaalsContact O-CB 3.24Å; L428-A432 WeakPolarHBondContact O-CB 3.38Å; L428-A432 PolarHBondContact O-N 2.91Å; L428-M475 HydrophobicContact CB-CE 4.09Å; L428-M475 HydrophobicContact CB-SD 4.16Å; L428-L477 HydrophobicContact CD1-CD1 4.03Å; L428-L477 HydrophobicContact CD1-CD2 4.12Å; L428-L485 HydrophobicContact CD1-CD2 4.04Å; L428-M488 HydrophobicContact CD2-SD 3.98Å |
| 429 | A | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L419 L425 A426 Y427 C431 A432 S433 L473 | L419-A429 HydrophobicContact CD1-CB 3.79Å; L419-A429 HydrophobicContact CD2-CB 4.4Å; L425-A429 WeakPolarHBondContact O-CB 3.39Å; L425-A429 PolarHBondContact O-N 2.91Å; A426-A429 PolarHBondContact O-N 2.81Å; Y427-A429 PolarHBondContact O-N 3Å; A429-C431 VanDerWaalsContact C-N 3.34Å; A429-C431 PolarHBondContact O-N 3.06Å; A429-A432 PolarHBondContact O-N 2.91Å; A429-S433 VanDerWaalsContact O-CB 3.32Å; A429-S433 WeakPolarHBondContact O-CB 3.15Å; A429-S433 PolarHBondContact O-N 3.05Å; A429-S433 PolarHBondContact O-OG 2.8Å; A429-L473 HydrophobicContact CB-CD2 3.97Å |
| 430 | Q | 90.7 | Very high | 88.1 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 173.8 | -173.8 | 179.8 | 18.7 | 0 | 0 | 111.4 | A426 Y427 A432 R436 L439 | A426-Q430 WeakPolarHBondContact O-CB 3.45Å; A426-Q430 PolarHBondContact O-N 2.87Å; Y427-Q430 WeakPolarHBondContact O-CB 3.44Å; Y427-Q430 PolarHBondContact O-N 3.13Å; Q430-A432 VanDerWaalsContact C-N 3.33Å; Q430-A432 PolarHBondContact O-N 3.04Å; Q430-R436 WeakPolarHBondContact O-CD 3.37Å; Q430-L439 HydrophobicContact CB-CD2 3.59Å; Q430-L439 HydrophobicContact CG-CD2 3.74Å |
| 431 | C | 91.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 177.4 | -72 | 0 | 0 | 0 | 0 | 112.6 | H243 Y427 L428 A429 | H243-C431 HydrophobicContact CB-CB 3.62Å; H243-C431 VanDerWaalsContact CB-SG 3.54Å; Y427-C431 PolarHBondContact O-N 2.74Å; Y427-C431 PolarHBondContact O-SG 2.93Å; L428-C431 WeakPolarHBondContact O-CB 3.16Å; L428-C431 PolarHBondContact O-N 3.08Å; A429-C431 VanDerWaalsContact C-N 3.34Å; A429-C431 PolarHBondContact O-N 3.06Å |
| 432 | A | 94.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -90.2 | -14.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L428 A429 Q430 L473 M475 M488 H490 | L428-A432 VanDerWaalsContact O-CB 3.24Å; L428-A432 WeakPolarHBondContact O-CB 3.38Å; L428-A432 PolarHBondContact O-N 2.91Å; A429-A432 PolarHBondContact O-N 2.91Å; Q430-A432 VanDerWaalsContact C-N 3.33Å; Q430-A432 PolarHBondContact O-N 3.04Å; A432-L473 HydrophobicContact CB-CD1 3.44Å; A432-L473 VanDerWaalsContact CB-CD1 3.44Å; A432-M475 HydrophobicContact CB-CB 4.42Å; A432-M475 HydrophobicContact CB-CG 4.39Å; A432-M475 HydrophobicContact CB-SD 3.64Å; A432-M488 HydrophobicContact CB-CE 3.73Å; A432-H490 HydrophobicContact CB-CB 3.56Å |
| 433 | S | 92.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | trans | -72.2 | 135.7 | -176.7 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | A429 R436 | A429-S433 VanDerWaalsContact O-CB 3.32Å; A429-S433 WeakPolarHBondContact O-CB 3.15Å; A429-S433 PolarHBondContact O-N 3.05Å; A429-S433 PolarHBondContact O-OG 2.8Å; S433-R436 WeakPolarHBondContact O-CG 3.37Å; S433-R436 PolarHBondContact O-NE 3.37Å | ||
| 434 | L | 89.3 | Confident | 88.2 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -80.3 | -35.4 | 170.4 | -57.6 | 179.1 | 0 | 0 | 0 | 110.7 | R436 L471 L472 L491 L681 | L434-R436 PolarHBondContact O-N 2.99Å; L434-L471 PolarHBondContact N-O 2.86Å; L434-L472 HydrophobicContact CB-CB 3.84Å; L434-L472 HydrophobicContact CB-CD1 4.41Å; L434-L491 HydrophobicContact CD1-CB 4.13Å; L434-L491 HydrophobicContact CG-CB 4.43Å; L434-L681 HydrophobicContact CD1-CD2 4.33Å |
| 435 | N | 86.4 | Confident | 88.2 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | trans | -98.9 | 72 | 172.8 | -174.5 | 7 | 0 | 0 | 0 | 110.9 | G437 A438 P470 L471 L472 M680 | N435-G437 PolarHBondContact O-N 3.37Å; N435-A438 HydrophobicContact CB-CB 4.47Å; N435-A438 WeakPolarHBondContact ND2-CB 3.38Å; N435-A438 PolarHBondContact O-N 3.15Å; N435-A438 PolarHBondContact OD1-N 2.9Å; N435-P470 PolarHBondContact ND2-O 3.44Å; N435-L471 PolarHBondContact N-O 3.05Å; N435-L472 HydrophobicContact CB-CB 4.28Å; N435-L472 HydrophobicContact CB-CD1 4.08Å; N435-L472 HydrophobicContact CB-CG 3.99Å; N435-M680 HydrophobicContact CB-CE 3.89Å; N435-M680 HydrophobicContact CB-SD 3.85Å; N435-M680 VanDerWaalsContact CG-CE 3.41Å | ||
| 436 | R | 79.9 | Confident | 88.3 | Confident | 36 Ų | 36 | 37 Ų | 37 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -66.2 | -25.6 | -177.1 | -47 | -164.2 | -166 | 90.8 | 7.6 | 112.9 | R241 Q430 S433 L434 A438 L439 G696 | R241-R436 PolarHBondContact O-NH2 3.04Å; Q430-R436 WeakPolarHBondContact O-CD 3.37Å; S433-R436 WeakPolarHBondContact O-CG 3.37Å; S433-R436 PolarHBondContact O-NE 3.37Å; L434-R436 PolarHBondContact O-N 2.99Å; R436-A438 PolarHBondContact O-N 3.1Å; R436-L439 WeakPolarHBondContact O-CB 3.44Å; R436-L439 PolarHBondContact O-N 2.82Å; R436-G696 WeakPolarHBondContact CB-O 3.01Å; R436-G696 WeakPolarHBondContact CD-O 3.46Å; R436-G696 WeakPolarHBondContact CG-O 3.37Å; R436-G696 PolarHBondContact NH1-O 2.84Å |
| 437 | G | 75.3 | Confident | 88.5 | Confident | 48 Ų | 48 | 37.3 Ų | 37.3 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -66.5 | -22.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N435 L439 | N435-G437 PolarHBondContact O-N 3.37Å; G437-L439 VanDerWaalsContact C-N 3.3Å |
| 438 | A | 81.8 | Confident | 88.7 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 24% | 0.24 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -79.8 | -10 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N435 R436 N440 S443 L471 | N435-A438 HydrophobicContact CB-CB 4.47Å; N435-A438 WeakPolarHBondContact ND2-CB 3.38Å; N435-A438 PolarHBondContact O-N 3.15Å; N435-A438 PolarHBondContact OD1-N 2.9Å; R436-A438 PolarHBondContact O-N 3.1Å; A438-N440 PolarHBondContact O-N 3.02Å; A438-N440 PolarHBondContact O-ND2 2.94Å; A438-S443 PolarHBondContact O-OG 2.93Å; A438-L471 HydrophobicContact CB-CD2 3.96Å |
| 439 | L | 81.8 | Confident | 88.8 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | trans | -71.2 | 124.5 | 178.8 | -168 | 75.4 | 0 | 0 | 0 | 110.7 | L419 Q430 R436 G437 S443 L471 | L419-L439 HydrophobicContact CD1-CD1 3.77Å; Q430-L439 HydrophobicContact CB-CD2 3.59Å; Q430-L439 HydrophobicContact CG-CD2 3.74Å; R436-L439 WeakPolarHBondContact O-CB 3.44Å; R436-L439 PolarHBondContact O-N 2.82Å; G437-L439 VanDerWaalsContact C-N 3.3Å; L439-S443 WeakPolarHBondContact CA-OG 3.27Å; L439-L471 HydrophobicContact CB-CD2 4.05Å; L439-L471 HydrophobicContact CD1-CD1 3.83Å; L439-L471 HydrophobicContact CD1-CD2 4.02Å | ||
| 440 | N | 83.9 | Confident | 89 | Confident | 90 Ų | 90 | 36.3 Ų | 36.3 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | trans | -148.8 | 175.3 | 178.3 | 64.5 | 72.7 | 0 | 0 | 0 | 110.6 | A438 N442 S443 | A438-N440 PolarHBondContact O-N 3.02Å; A438-N440 PolarHBondContact O-ND2 2.94Å; N440-N442 PolarHBondContact O-N 2.9Å; N440-N442 WeakPolarHBondContact OD1-CA 3.42Å; N440-N442 WeakPolarHBondContact OD1-CB 3.46Å; N440-N442 PolarHBondContact OD1-N 2.81Å; N440-S443 PolarHBondContact N-OG 3.37Å; N440-S443 WeakPolarHBondContact O-CB 3.39Å; N440-S443 PolarHBondContact O-N 3.24Å; N440-S443 PolarHBondContact O-OG 3.31Å; N440-S443 VanDerWaalsContact O-OG 3.13Å; N440-S443 PolarHBondContact OD1-N 2.94Å | ||
| 441 | A | 79.6 | Confident | 89.4 | Confident | 73 Ų | 73 | 32.6 Ų | 32.6 | 60% | 0.603 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q418 | Q418-A441 PolarHBondContact NE2-O 3.18Š|
| 442 | N | 84.7 | Confident | 89.7 | Confident | 118 Ų | 118 | 32.3 Ų | 32.3 | 63% | 0.631 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 7.6 | 179.3 | -61.6 | -20.5 | 0 | 0 | 0 | 113 | Q418 N440 T444 | Q418-N442 PolarHBondContact NE2-OD1 3.24Å; N440-N442 PolarHBondContact O-N 2.9Å; N440-N442 WeakPolarHBondContact OD1-CA 3.42Å; N440-N442 WeakPolarHBondContact OD1-CB 3.46Å; N440-N442 PolarHBondContact OD1-N 2.81Å; N442-T444 PolarHBondContact O-N 2.81Å |
| 443 | S | 90 | Very high | 89.8 | Confident | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | trans | -62 | 126.7 | 178.8 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | L419 A438 L439 N440 | L419-S443 PolarHBondContact N-O 2.87Å; A438-S443 PolarHBondContact O-OG 2.93Å; L439-S443 WeakPolarHBondContact CA-OG 3.27Å; N440-S443 PolarHBondContact N-OG 3.37Å; N440-S443 WeakPolarHBondContact O-CB 3.39Å; N440-S443 PolarHBondContact O-N 3.24Å; N440-S443 PolarHBondContact O-OG 3.31Å; N440-S443 VanDerWaalsContact O-OG 3.13Å; N440-S443 PolarHBondContact OD1-N 2.94Å | ||
| 444 | T | 92 | Very high | 89.9 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 148.8 | 174.8 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | E416 R417 Q418 N442 S468 | E416-T444 PolarHBondContact OE1-OG1 2.91Å; R417-T444 WeakPolarHBondContact O-CA 3.15Å; Q418-T444 HydrophobicContact CB-CG2 4.46Å; N442-T444 PolarHBondContact O-N 2.81Å; T444-S468 PolarHBondContact O-OG 2.93Å; T444-S468 VanDerWaalsContact O-OG 3.04Å |
| 445 | V | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.4 | 174.1 | -64.7 | 0 | 0 | 0 | 0 | 109.3 | R417 L419 I447 I466 H467 L471 L473 | R417-V445 PolarHBondContact N-O 3.34Å; R417-V445 WeakPolarHBondContact O-CG2 3.47Å; R417-V445 PolarHBondContact O-N 2.89Å; L419-V445 HydrophobicContact CD1-CG1 3.81Å; L419-V445 HydrophobicContact CD2-CG1 3.99Å; L419-V445 HydrophobicContact CD2-CG2 3.67Å; L419-V445 HydrophobicContact CG-CG1 3.91Å; L419-V445 HydrophobicContact CG-CG2 4.12Å; V445-I447 HydrophobicContact CG2-CD1 3.83Å; V445-I447 HydrophobicContact CG2-CG1 3.9Å; V445-I466 HydrophobicContact CB-CG2 4.04Å; V445-I466 HydrophobicContact CG1-CG2 4.38Å; V445-I466 HydrophobicContact CG2-CG2 4.39Å; V445-H467 WeakPolarHBondContact CA-O 3.47Å; V445-L471 HydrophobicContact CG1-CD1 4.38Å; V445-L473 HydrophobicContact CG1-CD2 4.15Å |
| 446 | H | 94.5 | Very high | 90.5 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.1 | 167.9 | -62.4 | -70.2 | 0 | 0 | 0 | 109.2 | F414 V415 E416 I466 H467 | F414-H446 HydrophobicContact CD1-CB 4.12Å; V415-H446 WeakPolarHBondContact O-CA 3.32Å; E416-H446 IonicContact OE2-CE1 3.81Å; H446-I466 CarbonylContact O-C 3.58Å; H446-I466 WeakPolarHBondContact O-CA 3.46Å; H446-H467 PolarHBondContact N-O 2.71Å; H446-H467 PolarHBondContact O-N 2.74Å |
| 447 | I | 95.4 | Very high | 91 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.7 | -177.3 | -57.6 | 178.9 | 0 | 0 | 0 | 109 | F414 V415 L425 V445 Q464 V465 I466 | F414-I447 CarbonylContact C-O 3.59Å; F414-I447 WeakPolarHBondContact CA-O 3.44Å; V415-I447 PolarHBondContact N-O 3.06Å; V415-I447 PolarHBondContact O-N 3.12Å; L425-I447 HydrophobicContact CD2-CD1 3.54Å; V445-I447 HydrophobicContact CG2-CD1 3.83Å; V445-I447 HydrophobicContact CG2-CG1 3.9Å; I447-Q464 HydrophobicContact CG2-CB 4.47Å; I447-V465 WeakPolarHBondContact CA-O 3.4Å; I447-I466 HydrophobicContact CB-CG1 4.44Å; I447-I466 HydrophobicContact CD1-CD1 4.17Å; I447-I466 HydrophobicContact CD1-CG1 4.49Å; I447-I466 HydrophobicContact CG1-CB 4.41Å; I447-I466 HydrophobicContact CG1-CD1 4.18Å; I447-I466 HydrophobicContact CG1-CG1 3.96Å; I447-I466 HydrophobicContact CG1-CG2 4Å; I447-I466 HydrophobicContact CG2-CD1 4.43Å; I447-I466 HydrophobicContact CG2-CG1 4.12Å |
| 448 | A | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D413 F414 H450 Q464 V465 | D413-A448 WeakPolarHBondContact O-CA 3.3Å; F414-A448 HydrophobicContact CD1-CB 3.73Å; F414-A448 HydrophobicContact CD2-CB 3.61Å; F414-A448 HydrophobicContact CE1-CB 3.63Å; F414-A448 HydrophobicContact CE2-CB 3.49Å; F414-A448 VanDerWaalsContact CE2-CB 3.49Å; F414-A448 HydrophobicContact CG-CB 3.73Å; F414-A448 HydrophobicContact CZ-CB 3.51Å; A448-H450 VanDerWaalsContact CB-CE1 3.47Å; A448-H450 WeakPolarHBondContact CB-CE1 3.14Å; A448-Q464 CarbonylContact O-C 3.6Å; A448-Q464 VanDerWaalsContact O-CA 3.24Å; A448-Q464 WeakPolarHBondContact O-CA 3.33Å; A448-V465 PolarHBondContact N-O 2.8Å; A448-V465 PolarHBondContact O-N 2.84Å |
| 449 | S | 97.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.5 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | G412 Q464 | G412-S449 WeakPolarHBondContact CA-O 3.46Å; S449-Q464 PolarHBondContact OG-NE2 2.99Å |
| 450 | H | 98.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 157.3 | 177.8 | -45.7 | -64.2 | 0 | 0 | 0 | 110.9 | L409 L410 G412 A448 T462 V463 F616 A651 | L409-H450 HydrophobicContact CD1-CB 3.74Å; L410-H450 WeakPolarHBondContact O-CA 3.18Å; L410-H450 WeakPolarHBondContact O-CB 3.49Å; G412-H450 PolarHBondContact N-ND1 3.21Å; G412-H450 VanDerWaalsContact N-ND1 3.13Å; G412-H450 PolarHBondContact O-CE1 2.77Å; A448-H450 VanDerWaalsContact CB-CE1 3.47Å; A448-H450 WeakPolarHBondContact CB-CE1 3.14Å; H450-T462 CarbonylContact O-C 3.55Å; H450-T462 WeakPolarHBondContact O-CA 3.47Å; H450-V463 PolarHBondContact N-O 3.16Å; H450-V463 PolarHBondContact O-N 3.42Å; H450-F616 AromaticContact CD2-CE1 3.82Å; H450-A651 PolarHBondContact NE2-O 2.96Å |
| 451 | S | 97.9 | Very high | 93.5 | Very high | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.7 | 171.6 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | L410 K460 Y461 | L410-S451 PolarHBondContact N-O 3.24Å; L410-S451 PolarHBondContact O-N 3.38Å; S451-K460 WeakPolarHBondContact OG-CE 3.37Å; S451-K460 PolarHBondContact OG-NZ 3.2Å; S451-Y461 WeakPolarHBondContact CA-O 3.34Å |
| 452 | M | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.2 | 167.9 | -62.7 | -58.3 | -51.1 | 0 | 0 | 108 | L407 Q408 L409 K460 Y461 V463 I601 I612 F616 | L407-M452 HydrophobicContact CB-CB 4.42Å; L407-M452 HydrophobicContact CB-CE 3.53Å; Q408-M452 WeakPolarHBondContact O-CA 3.13Å; L409-M452 HydrophobicContact CB-CE 4.09Å; L409-M452 HydrophobicContact CB-SD 3.7Å; L409-M452 HydrophobicContact CD1-SD 3.52Å; L409-M452 VanDerWaalsContact CD1-SD 3.52Å; L409-M452 HydrophobicContact CG-SD 4.18Å; M452-K460 WeakPolarHBondContact O-CA 3.4Å; M452-Y461 PolarHBondContact N-O 3.32Å; M452-Y461 PolarHBondContact O-N 3.43Å; M452-V463 HydrophobicContact CG-CG2 3.74Å; M452-I601 HydrophobicContact CE-CB 4.13Å; M452-I601 HydrophobicContact CE-CD1 3.53Å; M452-I601 HydrophobicContact CE-CG1 3.86Å; M452-I601 HydrophobicContact SD-CD1 4.22Å; M452-I612 HydrophobicContact CB-CD1 4.37Å; M452-I612 HydrophobicContact CG-CD1 4.43Å; M452-I612 HydrophobicContact CG-CG2 4.29Å; M452-F616 HydrophobicContact SD-CE2 4.17Å; M452-F616 HydrophobicContact SD-CZ 4.49Å |
| 453 | V | 97.2 | Very high | 95.1 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.6 | -175.2 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | L407 Q408 L410 T455 K460 | L407-V453 CarbonylContact C-O 3.58Å; L407-V453 WeakPolarHBondContact CA-O 3.47Å; Q408-V453 PolarHBondContact N-O 3.5Å; Q408-V453 PolarHBondContact O-N 2.86Å; L410-V453 HydrophobicContact CD1-CG2 3.92Å; V453-T455 PolarHBondContact O-N 3.36Å; V453-K460 HydrophobicContact CG2-CG 4.35Å |
| 454 | D | 95.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.4 | 172.4 | -168.9 | -51.1 | 0 | 0 | 0 | 110.2 | Y261 R405 E406 L407 R456 D457 G458 T459 | Y261-D454 VanDerWaalsContact OH-CG 3.24Å; Y261-D454 PolarHBondContact OH-OD1 3.29Å; Y261-D454 PolarHBondContact OH-OD2 3.41Å; R405-D454 WeakPolarHBondContact CB-OD2 3.42Å; R405-D454 VanDerWaalsContact CD-OD2 3.31Å; R405-D454 WeakPolarHBondContact CD-OD2 3.2Å; R405-D454 WeakPolarHBondContact CG-OD2 3.48Å; R405-D454 IonicContact CZ-OD2 3.01Å; R405-D454 IonicContact NE-OD2 3.13Å; R405-D454 IonicContact NH1-OD2 2.61Å; R405-D454 PolarHBondContact NH1-OD2 3.15Å; E406-D454 WeakPolarHBondContact O-CA 3.3Å; L407-D454 HydrophobicContact CD2-CB 3.91Å; D454-R456 PolarHBondContact O-N 3.44Å; D454-R456 WeakPolarHBondContact OD1-CB 3.21Å; D454-R456 PolarHBondContact OD1-N 2.9Å; D454-D457 VanDerWaalsContact CB-OD1 3.29Å; D454-D457 WeakPolarHBondContact CB-OD1 3.34Å; D454-D457 PolarHBondContact OD1-N 3.36Å; D454-G458 VanDerWaalsContact O-CA 3.28Å; D454-G458 WeakPolarHBondContact O-CA 3.24Å; D454-G458 PolarHBondContact O-N 2.94Å; D454-T459 PolarHBondContact N-O 3.13Å |
| 455 | T | 94.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 31.4 Ų | 31.4 | 41% | 0.405 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -17.6 | -176 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | E406 Q408 V453 | E406-T455 HydrophobicContact CG-CG2 4.48Å; E406-T455 PolarHBondContact O-N 3.24Å; E406-T455 PolarHBondContact O-OG1 3.42Å; Q408-T455 HydrophobicContact CB-CG2 4.11Å; V453-T455 PolarHBondContact O-N 3.36Å |
| 456 | R | 91.9 | Very high | 95.9 | Very high | 137 Ų | 137 | 31.4 Ų | 31.4 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -45.8 | -174.8 | -51.5 | -175.6 | 97.8 | -150.2 | -0.5 | 112 | Y261 D454 | Y261-R456 HydrophobicContact CD1-CB 4.45Å; Y261-R456 VanDerWaalsContact CD2-NH1 3.34Å; Y261-R456 HydrophobicContact CE1-CB 3.76Å; Y261-R456 HydrophobicContact CE1-CG 4.47Å; Y261-R456 WeakPolarHBondContact OH-CD 3.31Å; D454-R456 PolarHBondContact O-N 3.44Å; D454-R456 WeakPolarHBondContact OD1-CB 3.21Å; D454-R456 PolarHBondContact OD1-N 2.9Å |
| 457 | D | 91 | Very high | 96 | Very high | 32 Ų | 32 | 29.6 Ų | 29.6 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -5.1 | -174.8 | 75 | 4.6 | 0 | 0 | 0 | 115.1 | S260 Y261 R405 D454 T459 | S260-D457 WeakPolarHBondContact OG-CB 3.14Å; S260-D457 VanDerWaalsContact OG-CG 3.26Å; S260-D457 PolarHBondContact OG-OD2 2.94Å; Y261-D457 HydrophobicContact CD1-CB 4.29Å; Y261-D457 HydrophobicContact CE1-CB 4.09Å; R405-D457 IonicContact CZ-OD2 3.13Å; R405-D457 IonicContact NH1-OD1 3.92Å; R405-D457 PolarHBondContact NH1-OD1 3.23Å; R405-D457 IonicContact NH1-OD2 2.7Å; R405-D457 PolarHBondContact NH1-OD2 3.44Å; R405-D457 IonicContact NH2-OD2 3.8Å; D454-D457 VanDerWaalsContact CB-OD1 3.29Å; D454-D457 WeakPolarHBondContact CB-OD1 3.34Å; D454-D457 PolarHBondContact OD1-N 3.36Å; D457-T459 PolarHBondContact O-N 2.88Å; D457-T459 WeakPolarHBondContact OD1-CB 3.45Å; D457-T459 PolarHBondContact OD1-N 3.37Å; D457-T459 PolarHBondContact OD1-OG1 3.04Å; D457-T459 PolarHBondContact OD2-OG1 3.24Å; D457-T459 VanDerWaalsContact OD2-OG1 3.05Å |
| 458 | G | 92.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 29 Ų | 29 | 49% | 0.485 | 16% | 0.162 | S | C | . | . | trans | 76.2 | 6.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D454 K460 | D454-G458 VanDerWaalsContact O-CA 3.28Å; D454-G458 WeakPolarHBondContact O-CA 3.24Å; D454-G458 PolarHBondContact O-N 2.94Å; G458-K460 PolarHBondContact O-N 3.29Å | ||
| 459 | T | 92.3 | Very high | 95.4 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | trans | -55.2 | 126.7 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | R405 D454 D457 Y461 | R405-T459 PolarHBondContact NH1-OG1 3.26Å; D454-T459 PolarHBondContact N-O 3.13Å; D457-T459 PolarHBondContact O-N 2.88Å; D457-T459 WeakPolarHBondContact OD1-CB 3.45Å; D457-T459 PolarHBondContact OD1-N 3.37Å; D457-T459 PolarHBondContact OD1-OG1 3.04Å; D457-T459 PolarHBondContact OD2-OG1 3.24Å; D457-T459 VanDerWaalsContact OD2-OG1 3.05Å; T459-Y461 HydrophobicContact CG2-CD2 4.43Å; T459-Y461 HydrophobicContact CG2-CE2 3.7Å | ||
| 460 | K | 94.4 | Very high | 94.9 | Very high | 107 Ų | 107 | 30.9 Ų | 30.9 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.2 | -176 | -178.4 | 178.2 | 175.6 | 173.4 | 0 | 111 | S451 M452 V453 G458 | S451-K460 WeakPolarHBondContact OG-CE 3.37Å; S451-K460 PolarHBondContact OG-NZ 3.2Å; M452-K460 WeakPolarHBondContact O-CA 3.4Å; V453-K460 HydrophobicContact CG2-CG 4.35Å; G458-K460 PolarHBondContact O-N 3.29Å |
| 461 | Y | 96.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 140.1 | 164.1 | -58.4 | -97.3 | 0 | 0 | 0 | 109 | Q254 L407 S451 M452 T459 V478 Y479 L486 T608 I612 | Q254-Y461 PolarHBondContact NE2-OH 3.16Å; L407-Y461 HydrophobicContact CD2-CD2 4.36Å; L407-Y461 HydrophobicContact CD2-CE2 4.38Å; S451-Y461 WeakPolarHBondContact CA-O 3.34Å; M452-Y461 PolarHBondContact N-O 3.32Å; M452-Y461 PolarHBondContact O-N 3.43Å; T459-Y461 HydrophobicContact CG2-CD2 4.43Å; T459-Y461 HydrophobicContact CG2-CE2 3.7Å; Y461-V478 HydrophobicContact CD1-CG1 4.44Å; Y461-Y479 CarbonylContact C-O 3.37Å; Y461-Y479 VanDerWaalsContact CA-O 3.28Å; Y461-Y479 WeakPolarHBondContact CA-O 3.39Å; Y461-L486 HydrophobicContact CD1-CD1 4.48Å; Y461-L486 HydrophobicContact CE1-CD1 4.17Å; Y461-T608 HydrophobicContact CD2-CG2 4.4Å; Y461-T608 HydrophobicContact CE1-CG2 4.2Å; Y461-T608 HydrophobicContact CE2-CG2 3.71Å; Y461-I612 HydrophobicContact CD1-CD1 4.22Å; Y461-I612 HydrophobicContact CD2-CD1 3.93Å; Y461-I612 HydrophobicContact CG-CD1 3.75Å |
| 462 | T | 98.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 30 Ų | 30 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.3 | 171.8 | -53.2 | 0 | 0 | 0 | 0 | 108.3 | H450 Y479 Q483 | H450-T462 CarbonylContact O-C 3.55Å; H450-T462 WeakPolarHBondContact O-CA 3.47Å; T462-Y479 PolarHBondContact N-O 3.17Å; T462-Y479 PolarHBondContact O-N 2.96Å; T462-Q483 PolarHBondContact OG1-NE2 2.87Å |
| 463 | V | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.2 | 177.5 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | H450 M452 V465 I476 L477 I612 F616 | H450-V463 PolarHBondContact N-O 3.16Å; H450-V463 PolarHBondContact O-N 3.42Å; M452-V463 HydrophobicContact CG-CG2 3.74Å; V463-V465 HydrophobicContact CG1-CG2 4.4Å; V463-I476 HydrophobicContact CG1-CG2 3.88Å; V463-L477 CarbonylContact C-O 3.59Å; V463-L477 WeakPolarHBondContact CA-O 3.41Å; V463-I612 HydrophobicContact CG2-CG2 3.45Å; V463-I612 VanDerWaalsContact CG2-CG2 3.45Å; V463-F616 HydrophobicContact CB-CE2 4.3Å; V463-F616 HydrophobicContact CB-CZ 4.15Å; V463-F616 HydrophobicContact CG1-CD1 3.93Å; V463-F616 HydrophobicContact CG1-CD2 4.01Å; V463-F616 HydrophobicContact CG1-CE1 3.84Å; V463-F616 HydrophobicContact CG1-CE2 3.92Å; V463-F616 HydrophobicContact CG1-CG 4.01Å; V463-F616 HydrophobicContact CG1-CZ 3.82Å; V463-F616 HydrophobicContact CG2-CE2 4.09Å; V463-F616 HydrophobicContact CG2-CZ 4.38Å |
| 464 | Q | 98.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 17% | 0.173 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.7 | 172.3 | -60.3 | -168.3 | -36.2 | 0 | 0 | 110.2 | I447 A448 S449 I466 I476 L477 Y479 | I447-Q464 HydrophobicContact CG2-CB 4.47Å; A448-Q464 CarbonylContact O-C 3.6Å; A448-Q464 VanDerWaalsContact O-CA 3.24Å; A448-Q464 WeakPolarHBondContact O-CA 3.33Å; S449-Q464 PolarHBondContact OG-NE2 2.99Å; Q464-I466 HydrophobicContact CB-CD1 4.32Å; Q464-I466 HydrophobicContact CB-CG1 4.3Å; Q464-I476 CarbonylContact O-C 3.56Å; Q464-I476 VanDerWaalsContact O-CA 3.28Å; Q464-I476 WeakPolarHBondContact O-CA 3.29Å; Q464-L477 HydrophobicContact CB-CB 4.25Å; Q464-L477 PolarHBondContact N-O 2.94Å; Q464-L477 PolarHBondContact O-N 3.47Å; Q464-Y479 HydrophobicContact CG-CD2 4.35Å; Q464-Y479 HydrophobicContact CG-CE2 4Å |
| 465 | V | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.5 | 172 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | F414 I447 A448 V463 H467 F616 | F414-V465 HydrophobicContact CZ-CB 4.47Å; I447-V465 WeakPolarHBondContact CA-O 3.4Å; A448-V465 PolarHBondContact N-O 2.8Å; A448-V465 PolarHBondContact O-N 2.84Å; V463-V465 HydrophobicContact CG1-CG2 4.4Å; V465-H467 WeakPolarHBondContact CG1-NE2 3.27Å; V465-F616 HydrophobicContact CG2-CD1 3.62Å; V465-F616 HydrophobicContact CG2-CE1 3.81Å |
| 466 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.9 | -167.9 | -52.9 | -172.9 | 0 | 0 | 0 | 109.5 | L425 V445 H446 I447 Q464 L473 S474 M475 L477 | L425-I466 HydrophobicContact CD1-CD1 3.54Å; V445-I466 HydrophobicContact CB-CG2 4.04Å; V445-I466 HydrophobicContact CG1-CG2 4.38Å; V445-I466 HydrophobicContact CG2-CG2 4.39Å; H446-I466 CarbonylContact O-C 3.58Å; H446-I466 WeakPolarHBondContact O-CA 3.46Å; I447-I466 HydrophobicContact CB-CG1 4.44Å; I447-I466 HydrophobicContact CD1-CD1 4.17Å; I447-I466 HydrophobicContact CD1-CG1 4.49Å; I447-I466 HydrophobicContact CG1-CB 4.41Å; I447-I466 HydrophobicContact CG1-CD1 4.18Å; I447-I466 HydrophobicContact CG1-CG1 3.96Å; I447-I466 HydrophobicContact CG1-CG2 4Å; I447-I466 HydrophobicContact CG2-CD1 4.43Å; I447-I466 HydrophobicContact CG2-CG1 4.12Å; Q464-I466 HydrophobicContact CB-CD1 4.32Å; Q464-I466 HydrophobicContact CB-CG1 4.3Å; I466-L473 HydrophobicContact CG2-CD2 4.26Å; I466-S474 CarbonylContact O-C 3.43Å; I466-S474 VanDerWaalsContact O-CA 3.31Å; I466-S474 WeakPolarHBondContact O-CA 3.45Å; I466-M475 HydrophobicContact CB-CB 4.44Å; I466-M475 HydrophobicContact CB-CE 4.43Å; I466-M475 HydrophobicContact CD1-CE 3.83Å; I466-M475 PolarHBondContact N-O 3.26Å; I466-M475 PolarHBondContact O-N 2.83Å; I466-L477 HydrophobicContact CD1-CD1 3.9Å; I466-L477 HydrophobicContact CD1-CG 4.35Å |
| 467 | H | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.7 | -179.7 | -58.4 | -70.2 | 0 | 0 | 0 | 112.2 | F414 V445 H446 V465 L473 S474 C652 L658 | F414-H467 AromaticContact CE1-CD2 3.85Å; V445-H467 WeakPolarHBondContact CA-O 3.47Å; H446-H467 PolarHBondContact N-O 2.71Å; H446-H467 PolarHBondContact O-N 2.74Å; V465-H467 WeakPolarHBondContact CG1-NE2 3.27Å; H467-L473 WeakPolarHBondContact CA-O 3.33Å; H467-S474 WeakPolarHBondContact ND1-CB 3.47Å; H467-S474 PolarHBondContact ND1-OG 3.29Å; H467-C652 PolarHBondContact NE2-O 3.28Å; H467-L658 HydrophobicContact CB-CD2 3.58Å; H467-L658 WeakPolarHBondContact CD2-CD2 3.44Å |
| 468 | S | 92.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 117 | 163.3 | 178.3 | 0 | 0 | 0 | 0 | 109 | T444 L471 L472 L473 | T444-S468 PolarHBondContact O-OG 2.93Å; T444-S468 VanDerWaalsContact O-OG 3.04Å; S468-L471 WeakPolarHBondContact OG-CG 3.41Å; S468-L472 PolarHBondContact O-N 3.27Å; S468-L472 VanDerWaalsContact O-N 3.15Å; S468-L473 PolarHBondContact N-O 2.97Å; S468-L473 PolarHBondContact O-N 2.94Å |
| 469 | A | 87.4 | Confident | 95.1 | Very high | 13 Ų | 13 | 16.1 Ų | 16.1 | 11% | 0.107 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -47.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L471 L472 L663 | A469-L471 VanDerWaalsContact C-N 3.3Å; A469-L471 PolarHBondContact O-N 3.19Å; A469-L472 PolarHBondContact O-N 2.74Å; A469-L472 VanDerWaalsContact O-N 3.08Å; A469-L663 HydrophobicContact CB-CD2 3.51Å |
| 470 | P | 86.6 | Confident | 95.2 | Very high | 79 Ų | 79 | 14.4 Ų | 14.4 | 51% | 0.513 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -38.7 | 177 | -27.1 | 35.1 | 0 | 0 | 0 | 114.1 | N435 L472 | N435-P470 PolarHBondContact ND2-O 3.44Å; P470-L472 VanDerWaalsContact C-N 3.29Å; P470-L472 PolarHBondContact O-N 3.22Å |
| 471 | L | 89 | Confident | 94.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.4 | -179.9 | -58.7 | -179.8 | 0 | 0 | 0 | 113.5 | L419 L434 N435 A438 L439 V445 S468 A469 L473 | L419-L471 HydrophobicContact CD1-CD1 4.31Å; L434-L471 PolarHBondContact N-O 2.86Å; N435-L471 PolarHBondContact N-O 3.05Å; A438-L471 HydrophobicContact CB-CD2 3.96Å; L439-L471 HydrophobicContact CB-CD2 4.05Å; L439-L471 HydrophobicContact CD1-CD1 3.83Å; L439-L471 HydrophobicContact CD1-CD2 4.02Å; V445-L471 HydrophobicContact CG1-CD1 4.38Å; S468-L471 WeakPolarHBondContact OG-CG 3.41Å; A469-L471 VanDerWaalsContact C-N 3.3Å; A469-L471 PolarHBondContact O-N 3.19Å; L471-L473 HydrophobicContact CB-CB 3.89Å; L471-L473 HydrophobicContact CD1-CD2 4.37Å; L471-L473 PolarHBondContact O-N 2.71Å |
| 472 | L | 90.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39 | -168.1 | -60 | -177.8 | 0 | 0 | 0 | 112.3 | L434 N435 S468 A469 P470 P659 L664 I677 M680 | L434-L472 HydrophobicContact CB-CB 3.84Å; L434-L472 HydrophobicContact CB-CD1 4.41Å; N435-L472 HydrophobicContact CB-CB 4.28Å; N435-L472 HydrophobicContact CB-CD1 4.08Å; N435-L472 HydrophobicContact CB-CG 3.99Å; S468-L472 PolarHBondContact O-N 3.27Å; S468-L472 VanDerWaalsContact O-N 3.15Å; A469-L472 PolarHBondContact O-N 2.74Å; A469-L472 VanDerWaalsContact O-N 3.08Å; P470-L472 VanDerWaalsContact C-N 3.29Å; P470-L472 PolarHBondContact O-N 3.22Å; L472-P659 HydrophobicContact CD2-CB 4.15Å; L472-L664 HydrophobicContact CD2-CD2 3.56Å; L472-I677 HydrophobicContact CD1-CG2 3.75Å; L472-I677 HydrophobicContact CD2-CG2 3.73Å; L472-I677 HydrophobicContact CG-CG2 4.17Å; L472-M680 HydrophobicContact CD1-SD 4.14Å |
| 473 | L | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.6 | -173.6 | 176.6 | 65.7 | 0 | 0 | 0 | 110 | A429 A432 V445 I466 H467 S468 L471 M475 | A429-L473 HydrophobicContact CB-CD2 3.97Å; A432-L473 HydrophobicContact CB-CD1 3.44Å; A432-L473 VanDerWaalsContact CB-CD1 3.44Å; V445-L473 HydrophobicContact CG1-CD2 4.15Å; I466-L473 HydrophobicContact CG2-CD2 4.26Å; H467-L473 WeakPolarHBondContact CA-O 3.33Å; S468-L473 PolarHBondContact N-O 2.97Å; S468-L473 PolarHBondContact O-N 2.94Å; L471-L473 HydrophobicContact CB-CB 3.89Å; L471-L473 HydrophobicContact CD1-CD2 4.37Å; L471-L473 PolarHBondContact O-N 2.71Å; L473-M475 HydrophobicContact CD1-CB 3.99Å |
| 474 | S | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 124.8 | 154.5 | -62.1 | 0 | 0 | 0 | 0 | 108.1 | I466 H467 H490 L491 F522 P659 | I466-S474 CarbonylContact O-C 3.43Å; I466-S474 VanDerWaalsContact O-CA 3.31Å; I466-S474 WeakPolarHBondContact O-CA 3.45Å; H467-S474 WeakPolarHBondContact ND1-CB 3.47Å; H467-S474 PolarHBondContact ND1-OG 3.29Å; S474-H490 WeakPolarHBondContact O-CA 3.4Å; S474-L491 PolarHBondContact O-N 2.83Å; S474-F522 WeakPolarHBondContact O-CE1 3.32Å; S474-P659 WeakPolarHBondContact OG-CG 3.32Å |
| 475 | M | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.1 | -172.2 | 179.8 | 173.4 | 72 | 0 | 0 | 109.8 | L425 L428 A432 I466 L473 L477 M488 A489 H490 | L425-M475 HydrophobicContact CD1-CE 4.23Å; L428-M475 HydrophobicContact CB-CE 4.09Å; L428-M475 HydrophobicContact CB-SD 4.16Å; A432-M475 HydrophobicContact CB-CB 4.42Å; A432-M475 HydrophobicContact CB-CG 4.39Å; A432-M475 HydrophobicContact CB-SD 3.64Å; I466-M475 HydrophobicContact CB-CB 4.44Å; I466-M475 HydrophobicContact CB-CE 4.43Å; I466-M475 HydrophobicContact CD1-CE 3.83Å; I466-M475 PolarHBondContact N-O 3.26Å; I466-M475 PolarHBondContact O-N 2.83Å; L473-M475 HydrophobicContact CD1-CB 3.99Å; M475-L477 HydrophobicContact CE-CD1 4Å; M475-L477 HydrophobicContact CE-CD2 4.04Å; M475-L477 HydrophobicContact CE-CG 4.11Å; M475-L477 HydrophobicContact CG-CD2 3.85Å; M475-L477 HydrophobicContact CG-CG 4.3Å; M475-L477 HydrophobicContact SD-CD2 3.84Å; M475-L477 HydrophobicContact SD-CG 4.49Å; M475-M488 HydrophobicContact CG-CE 4.13Å; M475-M488 HydrophobicContact CG-CG 4.22Å; M475-M488 HydrophobicContact SD-CE 3.39Å; M475-M488 WeakPolarHBondContact SD-CE 3.15Å; M475-M488 HydrophobicContact SD-CG 4.36Å; M475-M488 HydrophobicContact SD-SD 3.9Å; M475-A489 CarbonylContact C-O 3.25Å; M475-A489 VanDerWaalsContact CA-O 3.23Å; M475-A489 WeakPolarHBondContact CA-O 3.31Å; M475-A489 WeakPolarHBondContact CG-O 3.41Å; M475-H490 HydrophobicContact CB-CB 4.22Å; M475-H490 HydrophobicContact CG-CB 4.2Å |
| 476 | I | 98.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.2 | 178.3 | -61.2 | 151.7 | 0 | 0 | 0 | 106.5 | V463 Q464 V478 M488 A489 F522 F616 C617 | V463-I476 HydrophobicContact CG1-CG2 3.88Å; Q464-I476 CarbonylContact O-C 3.56Å; Q464-I476 VanDerWaalsContact O-CA 3.28Å; Q464-I476 WeakPolarHBondContact O-CA 3.29Å; I476-V478 HydrophobicContact CG2-CG2 4.24Å; I476-M488 CarbonylContact O-C 3.54Å; I476-M488 VanDerWaalsContact O-CA 3.31Å; I476-M488 WeakPolarHBondContact O-CA 3.37Å; I476-A489 HydrophobicContact CB-CB 4.24Å; I476-A489 HydrophobicContact CD1-CB 4.4Å; I476-A489 PolarHBondContact N-O 3.11Å; I476-A489 PolarHBondContact O-N 2.94Å; I476-F522 HydrophobicContact CD1-CE1 4.16Å; I476-F616 HydrophobicContact CD1-CB 3.79Å; I476-F616 HydrophobicContact CG1-CB 4.28Å; I476-F616 HydrophobicContact CG2-CB 4.01Å; I476-C617 HydrophobicContact CD1-CB 4.47Å |
| 477 | L | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.9 | 175.1 | -54.5 | -179.6 | 0 | 0 | 0 | 108.9 | L428 V463 Q464 I466 M475 Y479 L485 M488 | L428-L477 HydrophobicContact CD1-CD1 4.03Å; L428-L477 HydrophobicContact CD1-CD2 4.12Å; V463-L477 CarbonylContact C-O 3.59Å; V463-L477 WeakPolarHBondContact CA-O 3.41Å; Q464-L477 HydrophobicContact CB-CB 4.25Å; Q464-L477 PolarHBondContact N-O 2.94Å; Q464-L477 PolarHBondContact O-N 3.47Å; I466-L477 HydrophobicContact CD1-CD1 3.9Å; I466-L477 HydrophobicContact CD1-CG 4.35Å; M475-L477 HydrophobicContact CE-CD1 4Å; M475-L477 HydrophobicContact CE-CD2 4.04Å; M475-L477 HydrophobicContact CE-CG 4.11Å; M475-L477 HydrophobicContact CG-CD2 3.85Å; M475-L477 HydrophobicContact CG-CG 4.3Å; M475-L477 HydrophobicContact SD-CD2 3.84Å; M475-L477 HydrophobicContact SD-CG 4.49Å; L477-Y479 HydrophobicContact CB-CD2 4.21Å; L477-Y479 HydrophobicContact CB-CE2 3.5Å; L477-Y479 VanDerWaalsContact CB-CE2 3.5Å; L477-Y479 HydrophobicContact CD1-CE2 4.09Å; L477-Y479 VanDerWaalsContact CD1-OH 3.27Å; L477-Y479 WeakPolarHBondContact CD1-OH 3.19Å; L477-Y479 HydrophobicContact CG-CE2 4.45Å; L477-L485 HydrophobicContact CB-CD1 4Å; L477-L485 HydrophobicContact CD2-CD1 4.26Å; L477-M488 HydrophobicContact CD2-CB 3.93Å; L477-M488 HydrophobicContact CD2-CG 3.67Å; L477-M488 HydrophobicContact CD2-SD 3.84Å |
| 478 | V | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 111.6 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | Y461 I476 L486 S487 A609 I612 A613 | Y461-V478 HydrophobicContact CD1-CG1 4.44Å; I476-V478 HydrophobicContact CG2-CG2 4.24Å; V478-L486 PolarHBondContact O-N 3.41Å; V478-S487 PolarHBondContact N-O 3.34Å; V478-S487 PolarHBondContact O-N 3.13Å; V478-A609 HydrophobicContact CB-CB 4.22Å; V478-A609 HydrophobicContact CG1-CB 3.79Å; V478-I612 HydrophobicContact CG1-CB 4.43Å; V478-I612 HydrophobicContact CG1-CD1 4.4Å; V478-I612 HydrophobicContact CG1-CG2 4.32Å; V478-I612 HydrophobicContact CG2-CG2 4.2Å; V478-A613 HydrophobicContact CG2-CB 3.99Å |
| 479 | Y | 97.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 11% | 0.114 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.3 | 179.1 | -61 | -89.9 | 0 | 0 | 0 | 110.5 | Y461 T462 Q464 L477 Q483 R484 L485 | Y461-Y479 CarbonylContact C-O 3.37Å; Y461-Y479 VanDerWaalsContact CA-O 3.28Å; Y461-Y479 WeakPolarHBondContact CA-O 3.39Å; T462-Y479 PolarHBondContact N-O 3.17Å; T462-Y479 PolarHBondContact O-N 2.96Å; Q464-Y479 HydrophobicContact CG-CD2 4.35Å; Q464-Y479 HydrophobicContact CG-CE2 4Å; L477-Y479 HydrophobicContact CB-CD2 4.21Å; L477-Y479 HydrophobicContact CB-CE2 3.5Å; L477-Y479 VanDerWaalsContact CB-CE2 3.5Å; L477-Y479 HydrophobicContact CD1-CE2 4.09Å; L477-Y479 VanDerWaalsContact CD1-OH 3.27Å; L477-Y479 WeakPolarHBondContact CD1-OH 3.19Å; L477-Y479 HydrophobicContact CG-CE2 4.45Å; Y479-Q483 VanDerWaalsContact CD1-O 3.23Å; Y479-Q483 WeakPolarHBondContact CD1-O 3.31Å; Y479-R484 CarbonylContact C-O 3.55Å; Y479-R484 VanDerWaalsContact CA-O 3.26Å; Y479-R484 WeakPolarHBondContact CA-O 3.39Å; Y479-L485 HydrophobicContact CD1-CB 3.97Å; Y479-L485 HydrophobicContact CD1-CD1 4.11Å; Y479-L485 HydrophobicContact CE1-CB 3.79Å; Y479-L485 HydrophobicContact CE1-CD1 3.83Å; Y479-L485 HydrophobicContact CE1-CG 4.34Å; Y479-L485 HydrophobicContact CE2-CD1 4.35Å |
| 480 | G | 93.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | trans | -88.3 | -149.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R484 | G480-R484 PolarHBondContact N-O 3.11Š| ||
| 481 | R | 86.8 | Confident | 95 | Very high | 165 Ų | 165 | 27.2 Ų | 27.2 | 62% | 0.623 | 12% | 0.118 | S | C | * | . | G | 310 helix | trans | -56.5 | 147 | 171.2 | -178.1 | 176.4 | 171.6 | 164.2 | 6.5 | 110.4 | Q483 R484 | R481-Q483 PolarHBondContact O-N 3.42Å; R481-Q483 VanDerWaalsContact O-N 3.08Å; R481-R484 VanDerWaalsContact O-CG 3.29Å; R481-R484 WeakPolarHBondContact O-CG 3.16Å; R481-R484 PolarHBondContact O-N 2.65Å; R481-R484 VanDerWaalsContact O-N 3.17Å |
| 482 | E | 88.5 | Confident | 95.3 | Very high | 138 Ų | 138 | 27.5 Ų | 27.5 | 65% | 0.645 | 12% | 0.119 | S | C | * | . | G | 310 helix | trans | 57 | 25.3 | 175.8 | -70.5 | 153.3 | -145.2 | 0 | 0 | 114.3 | R484 | E482-R484 HydrophobicContact CB-CG 4.29Å; E482-R484 PolarHBondContact O-N 3.5Å |
| 483 | Q | 90.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 27.7 Ų | 27.7 | 53% | 0.533 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | 59 | 28.6 | -178.5 | -58.4 | -63.5 | -44.6 | 0 | 0 | 113.8 | T462 Y479 R481 | T462-Q483 PolarHBondContact OG1-NE2 2.87Å; Y479-Q483 VanDerWaalsContact CD1-O 3.23Å; Y479-Q483 WeakPolarHBondContact CD1-O 3.31Å; R481-Q483 PolarHBondContact O-N 3.42Å; R481-Q483 VanDerWaalsContact O-N 3.08Å |
| 484 | R | 92.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 28.1 Ų | 28.1 | 32% | 0.321 | 13% | 0.126 | S | C | . | . | trans | -74.5 | 125.2 | 174.2 | -58.6 | 178.3 | 70.9 | 177.3 | 3.5 | 109.7 | E252 Y479 G480 R481 E482 L486 | E252-R484 HydrophobicContact CB-CB 4.04Å; E252-R484 HydrophobicContact CG-CB 4.25Å; E252-R484 WeakPolarHBondContact OE1-CB 3.34Å; E252-R484 VanDerWaalsContact OE1-CG 3.23Å; E252-R484 WeakPolarHBondContact OE1-CG 3.49Å; E252-R484 IonicContact OE1-NE 3.97Å; E252-R484 PolarHBondContact OE1-NE 2.9Å; E252-R484 IonicContact OE2-CZ 3.97Å; E252-R484 IonicContact OE2-NE 3.53Å; E252-R484 PolarHBondContact OE2-NE 2.85Å; E252-R484 IonicContact OE2-NH2 2.92Å; E252-R484 PolarHBondContact OE2-NH2 3.24Å; Y479-R484 CarbonylContact C-O 3.55Å; Y479-R484 VanDerWaalsContact CA-O 3.26Å; Y479-R484 WeakPolarHBondContact CA-O 3.39Å; G480-R484 PolarHBondContact N-O 3.11Å; R481-R484 VanDerWaalsContact O-CG 3.29Å; R481-R484 WeakPolarHBondContact O-CG 3.16Å; R481-R484 PolarHBondContact O-N 2.65Å; R481-R484 VanDerWaalsContact O-N 3.17Å; E482-R484 HydrophobicContact CB-CG 4.29Å; E482-R484 PolarHBondContact O-N 3.5Å; R484-L486 PolarHBondContact O-N 3.04Å | ||
| 485 | L | 96.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 114.9 | 179.7 | -178.7 | 63.4 | 0 | 0 | 0 | 109.4 | F251 E252 L428 L477 Y479 | F251-L485 WeakPolarHBondContact CA-O 3.48Å; F251-L485 HydrophobicContact CD1-CD2 4Å; F251-L485 HydrophobicContact CD1-CG 3.78Å; F251-L485 HydrophobicContact CE1-CD2 3.75Å; F251-L485 HydrophobicContact CE1-CG 3.79Å; E252-L485 PolarHBondContact N-O 3.38Å; L428-L485 HydrophobicContact CD1-CD2 4.04Å; L477-L485 HydrophobicContact CB-CD1 4Å; L477-L485 HydrophobicContact CD2-CD1 4.26Å; Y479-L485 HydrophobicContact CD1-CB 3.97Å; Y479-L485 HydrophobicContact CD1-CD1 4.11Å; Y479-L485 HydrophobicContact CE1-CB 3.79Å; Y479-L485 HydrophobicContact CE1-CD1 3.83Å; Y479-L485 HydrophobicContact CE1-CG 4.34Å; Y479-L485 HydrophobicContact CE2-CD1 4.35Å |
| 486 | L | 96.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.073 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -40.7 | -176.9 | -60.7 | -177.5 | 0 | 0 | 0 | 112 | E252 Q254 Y461 V478 R484 A609 | E252-L486 WeakPolarHBondContact O-CD2 3.4Å; Q254-L486 HydrophobicContact CB-CD1 4.39Å; Y461-L486 HydrophobicContact CD1-CD1 4.48Å; Y461-L486 HydrophobicContact CE1-CD1 4.17Å; V478-L486 PolarHBondContact O-N 3.41Å; R484-L486 PolarHBondContact O-N 3.04Å; L486-A609 HydrophobicContact CB-CB 3.61Å; L486-A609 HydrophobicContact CD1-CB 4.12Å |
| 487 | S | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.6 | -179.6 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | V478 L525 | V478-S487 PolarHBondContact N-O 3.34Å; V478-S487 PolarHBondContact O-N 3.13Å; S487-L525 WeakPolarHBondContact CA-O 3.36Å; S487-L525 PolarHBondContact OG-O 3.46Å |
| 488 | M | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143 | 173.4 | 169.6 | 170.3 | 158.2 | 0 | 0 | 108.5 | F251 L428 A432 M475 I476 L477 H490 I524 L525 | F251-M488 HydrophobicContact CE1-CB 3.71Å; F251-M488 HydrophobicContact CZ-CB 3.66Å; L428-M488 HydrophobicContact CD2-SD 3.98Å; A432-M488 HydrophobicContact CB-CE 3.73Å; M475-M488 HydrophobicContact CG-CE 4.13Å; M475-M488 HydrophobicContact CG-CG 4.22Å; M475-M488 HydrophobicContact SD-CE 3.39Å; M475-M488 WeakPolarHBondContact SD-CE 3.15Å; M475-M488 HydrophobicContact SD-CG 4.36Å; M475-M488 HydrophobicContact SD-SD 3.9Å; I476-M488 CarbonylContact O-C 3.54Å; I476-M488 VanDerWaalsContact O-CA 3.31Å; I476-M488 WeakPolarHBondContact O-CA 3.37Å; L477-M488 HydrophobicContact CD2-CB 3.93Å; L477-M488 HydrophobicContact CD2-CG 3.67Å; L477-M488 HydrophobicContact CD2-SD 3.84Å; M488-H490 HydrophobicContact CE-CB 4.09Å; M488-H490 WeakPolarHBondContact CE-CD2 3.1Å; M488-I524 WeakPolarHBondContact O-CA 3.5Å; M488-L525 HydrophobicContact CB-CD1 4.43Å; M488-L525 HydrophobicContact CB-CG 4.27Å; M488-L525 PolarHBondContact N-O 3.11Å; M488-L525 WeakPolarHBondContact O-CG 3.38Å; M488-L525 PolarHBondContact O-N 3.29Å |
| 489 | A | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | M475 I476 F522 V523 I524 A613 C617 | M475-A489 CarbonylContact C-O 3.25Å; M475-A489 VanDerWaalsContact CA-O 3.23Å; M475-A489 WeakPolarHBondContact CA-O 3.31Å; M475-A489 WeakPolarHBondContact CG-O 3.41Å; I476-A489 HydrophobicContact CB-CB 4.24Å; I476-A489 HydrophobicContact CD1-CB 4.4Å; I476-A489 PolarHBondContact N-O 3.11Å; I476-A489 PolarHBondContact O-N 2.94Å; A489-F522 HydrophobicContact CB-CD1 4.07Å; A489-V523 CarbonylContact C-O 3.59Å; A489-V523 WeakPolarHBondContact CA-O 3.4Å; A489-I524 HydrophobicContact CB-CB 4.46Å; A489-I524 HydrophobicContact CB-CG1 3.81Å; A489-A613 HydrophobicContact CB-CB 4.4Å; A489-C617 WeakPolarHBondContact CB-SG 3.4Å |
| 490 | H | 98.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159 | 172.3 | 65.9 | 91.3 | 0 | 0 | 0 | 112 | H243 A432 S474 M475 M488 F522 V523 | H243-H490 AromaticContact CD2-NE2 3.66Å; H243-H490 AromaticContact NE2-CE1 3.93Å; H243-H490 AromaticContact NE2-NE2 3.25Å; H243-H490 PolarHBondContact NE2-NE2 3.42Å; A432-H490 HydrophobicContact CB-CB 3.56Å; S474-H490 WeakPolarHBondContact O-CA 3.4Å; M475-H490 HydrophobicContact CB-CB 4.22Å; M475-H490 HydrophobicContact CG-CB 4.2Å; M488-H490 HydrophobicContact CE-CB 4.09Å; M488-H490 WeakPolarHBondContact CE-CD2 3.1Å; H490-F522 VanDerWaalsContact O-CA 3.3Å; H490-F522 WeakPolarHBondContact O-CA 3.41Å; H490-V523 PolarHBondContact N-O 2.71Å; H490-V523 WeakPolarHBondContact NE2-CG1 3.23Å; H490-V523 PolarHBondContact O-N 3.46Å |
| 491 | L | 96.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 138.8 | 173.5 | -72.8 | 175.1 | 0 | 0 | 0 | 110.8 | L434 S474 R520 A521 F522 L624 P659 | L434-L491 HydrophobicContact CD1-CB 4.13Å; L434-L491 HydrophobicContact CG-CB 4.43Å; S474-L491 PolarHBondContact O-N 2.83Å; L491-R520 HydrophobicContact CD2-CB 4.3Å; L491-A521 WeakPolarHBondContact CA-O 3.39Å; L491-F522 HydrophobicContact CD2-CD2 3.76Å; L491-F522 HydrophobicContact CD2-CE1 4.32Å; L491-F522 HydrophobicContact CD2-CE2 3.41Å; L491-F522 VanDerWaalsContact CD2-CE2 3.41Å; L491-F522 HydrophobicContact CD2-CG 4.34Å; L491-F522 HydrophobicContact CD2-CZ 3.73Å; L491-F522 HydrophobicContact CG-CE1 4.17Å; L491-F522 HydrophobicContact CG-CE2 4.07Å; L491-F522 HydrophobicContact CG-CZ 3.83Å; L491-L624 HydrophobicContact CD1-CD1 4.07Å; L491-L624 HydrophobicContact CD2-CD1 4.14Å; L491-P659 HydrophobicContact CD1-CG 4.41Å |
| 492 | I | 94.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147 | 170.6 | 50.1 | 165.7 | 0 | 0 | 0 | 109.8 | L497 A521 V523 I533 | I492-L497 HydrophobicContact CD1-CD1 3.62Å; I492-L497 HydrophobicContact CD1-CD2 4.22Å; I492-L497 HydrophobicContact CD1-CG 3.84Å; I492-L497 HydrophobicContact CG1-CD1 4.32Å; I492-A521 HydrophobicContact CD1-CB 4.37Å; I492-A521 HydrophobicContact CG1-CB 3.99Å; I492-A521 WeakPolarHBondContact CG1-O 3.47Å; I492-A521 PolarHBondContact N-O 2.65Å; I492-V523 HydrophobicContact CD1-CB 4.05Å; I492-V523 HydrophobicContact CG1-CB 4.41Å; I492-V523 HydrophobicContact CG2-CB 3.98Å; I492-V523 HydrophobicContact CG2-CG1 3.39Å; I492-I533 HydrophobicContact CD1-CD1 4.3Å; I492-I533 HydrophobicContact CD1-CG1 4.24Å; I492-I533 HydrophobicContact CD1-CG2 4.43Å |
| 493 | G | 91 | Very high | 94.4 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | trans | -113.4 | -165.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D495 S496 L497 | G493-D495 PolarHBondContact O-N 3.35Å; G493-S496 PolarHBondContact O-N 2.88Å; G493-S496 VanDerWaalsContact O-N 3.09Å; G493-L497 PolarHBondContact O-N 2.79Å | ||
| 494 | A | 89.6 | Confident | 94.6 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 7% | 0.074 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W234 R236 G237 S496 | W234-A494 HydrophobicContact CH2-CB 3.69Å; W234-A494 HydrophobicContact CZ2-CB 3.87Å; R236-A494 CarbonylContact C-O 3.56Å; R236-A494 WeakPolarHBondContact CA-O 3.37Å; R236-A494 HydrophobicContact CG-CB 4.13Å; G237-A494 PolarHBondContact N-O 3Å; A494-S496 VanDerWaalsContact C-N 3.26Å; A494-S496 PolarHBondContact O-N 3.35Å |
| 495 | D | 89.5 | Confident | 94.5 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.6 | 170 | -72.8 | -25.8 | 0 | 0 | 0 | 112.2 | W234 G237 C238 M239 G493 | W234-D495 PolarHBondContact NE1-OD1 3.34Å; G237-D495 CarbonylContact C-O 3.11Å; G237-D495 WeakPolarHBondContact CA-O 3.41Å; G237-D495 PolarHBondContact N-O 2.79Å; C238-D495 PolarHBondContact N-O 3.29Å; M239-D495 HydrophobicContact CB-CB 3.85Å; M239-D495 PolarHBondContact N-O 3.09Å; M239-D495 VanDerWaalsContact N-O 3.12Å; G493-D495 PolarHBondContact O-N 3.35Å |
| 496 | S | 92.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -30.1 | -173 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | L136 H138 G493 A494 | L136-S496 WeakPolarHBondContact CD1-O 3.4Å; H138-S496 PolarHBondContact CE1-O 3.37Å; G493-S496 PolarHBondContact O-N 2.88Å; G493-S496 VanDerWaalsContact O-N 3.09Å; A494-S496 VanDerWaalsContact C-N 3.26Å; A494-S496 PolarHBondContact O-N 3.35Å |
| 497 | L | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -116.2 | 140 | -174.9 | -64.8 | 179.5 | 0 | 0 | 0 | 112.7 | L136 G237 I492 G493 P512 L514 A521 I533 | L136-L497 HydrophobicContact CD1-CD2 4.17Å; G237-L497 PolarHBondContact N-O 3.41Å; I492-L497 HydrophobicContact CD1-CD1 3.62Å; I492-L497 HydrophobicContact CD1-CD2 4.22Å; I492-L497 HydrophobicContact CD1-CG 3.84Å; I492-L497 HydrophobicContact CG1-CD1 4.32Å; G493-L497 PolarHBondContact O-N 2.79Å; L497-P512 HydrophobicContact CD2-CB 3.97Å; L497-P512 HydrophobicContact CD2-CG 4.07Å; L497-L514 HydrophobicContact CB-CB 4.43Å; L497-L514 HydrophobicContact CB-CD1 4.27Å; L497-L514 HydrophobicContact CB-CG 4.23Å; L497-L514 HydrophobicContact CD1-CD1 3.88Å; L497-L514 HydrophobicContact CD1-CG 3.76Å; L497-A521 HydrophobicContact CD1-CB 4.04Å; L497-I533 HydrophobicContact CD2-CD1 4.12Å |
| 498 | P | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -71.9 | 169.9 | 174.7 | 35.4 | -39.7 | 0 | 0 | 0 | 111.2 | H138 F144 Q502 L503 H513 L514 | H138-P498 HydrophobicContact CB-CB 4.45Å; H138-P498 HydrophobicContact CB-CG 3.65Å; F144-P498 HydrophobicContact CD2-CB 4.48Å; F144-P498 HydrophobicContact CE2-CB 4.37Å; P498-Q502 VanDerWaalsContact CA-OE1 3.25Å; P498-Q502 HydrophobicContact CB-CB 4.26Å; P498-L503 HydrophobicContact CB-CD2 4.34Å; P498-L503 HydrophobicContact CG-CD1 4.07Å; P498-L503 HydrophobicContact CG-CD2 3.95Å; P498-L503 HydrophobicContact CG-CG 4.18Å; P498-H513 HydrophobicContact CG-CB 4.41Å; P498-H513 CarbonylContact O-C 3.59Å; P498-H513 VanDerWaalsContact O-CA 3.32Å; P498-H513 WeakPolarHBondContact O-CA 3.32Å; P498-H513 WeakPolarHBondContact O-CB 3.25Å; P498-L514 PolarHBondContact O-N 3.14Å | ||
| 499 | S | 93.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | trans | -84 | 161 | 161 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | D501 Q502 | S499-D501 PolarHBondContact O-N 3.35Å; S499-Q502 PolarHBondContact O-N 3.46Å; S499-Q502 VanDerWaalsContact O-N 3.16Å; S499-Q502 WeakPolarHBondContact OG-CG 3.44Å; S499-Q502 PolarHBondContact OG-OE1 2.84Å | ||
| 500 | R | 94.1 | Very high | 92.3 | Very high | 134 Ų | 134 | 41.8 Ų | 41.8 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -53.7 | -40.5 | 175.4 | 173.8 | 177.3 | 139.1 | 138.2 | 0.9 | 112.1 | Q502 L503 V508 S515 | R500-Q502 PolarHBondContact O-N 3.13Å; R500-L503 PolarHBondContact O-N 2.69Å; R500-V508 HydrophobicContact CG-CG1 3.8Å; R500-V508 HydrophobicContact CG-CG2 4Å; R500-S515 WeakPolarHBondContact CB-OG 3.4Å; R500-S515 PolarHBondContact N-OG 3.24Å |
| 501 | D | 93.4 | Very high | 92.1 | Very high | 100 Ų | 100 | 42.3 Ų | 42.3 | 54% | 0.535 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -73.5 | -13.5 | -174.5 | -55.1 | -42.3 | 0 | 0 | 0 | 113 | K143 S499 L503 | K143-D501 VanDerWaalsContact CE-O 3.27Å; K143-D501 WeakPolarHBondContact CE-O 3.37Å; K143-D501 PolarHBondContact NZ-O 3.45Å; S499-D501 PolarHBondContact O-N 3.35Å; D501-L503 VanDerWaalsContact C-N 3.3Å |
| 502 | Q | 94.4 | Very high | 92 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -84 | -5.1 | 174.2 | -66.3 | 174.4 | -53.2 | 0 | 0 | 113.2 | F144 R235 P498 S499 R500 | F144-Q502 HydrophobicContact CD2-CB 4.29Å; R235-Q502 VanDerWaalsContact CG-NE2 3.33Å; R235-Q502 VanDerWaalsContact NE-NE2 3.1Å; P498-Q502 VanDerWaalsContact CA-OE1 3.25Å; P498-Q502 HydrophobicContact CB-CB 4.26Å; S499-Q502 PolarHBondContact O-N 3.46Å; S499-Q502 VanDerWaalsContact O-N 3.16Å; S499-Q502 WeakPolarHBondContact OG-CG 3.44Å; S499-Q502 PolarHBondContact OG-OE1 2.84Å; R500-Q502 PolarHBondContact O-N 3.13Å |
| 503 | L | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -110 | 157.2 | -173.5 | -60.6 | 177.9 | 0 | 0 | 0 | 112.3 | H138 K143 P498 R500 D501 V508 L511 H513 | H138-L503 HydrophobicContact CB-CD2 3.76Å; K143-L503 WeakPolarHBondContact CD-O 3.38Å; P498-L503 HydrophobicContact CB-CD2 4.34Å; P498-L503 HydrophobicContact CG-CD1 4.07Å; P498-L503 HydrophobicContact CG-CD2 3.95Å; P498-L503 HydrophobicContact CG-CG 4.18Å; R500-L503 PolarHBondContact O-N 2.69Å; D501-L503 VanDerWaalsContact C-N 3.3Å; L503-V508 HydrophobicContact CB-CG2 3.91Å; L503-L511 HydrophobicContact CD1-CB 3.97Å; L503-L511 HydrophobicContact CD1-CD1 4.28Å; L503-L511 HydrophobicContact CD2-CD1 4Å; L503-H513 HydrophobicContact CD1-CB 4.06Å |
| 504 | D | 93.7 | Very high | 92.1 | Very high | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.203 | 22% | 0.219 | C | C | . | . | trans | -65.1 | 130.9 | 169.6 | -58 | -71.5 | 0 | 0 | 0 | 110.2 | S141 A142 K143 N506 L507 V508 | S141-D504 WeakPolarHBondContact CA-OD2 3.45Å; S141-D504 WeakPolarHBondContact CB-OD2 3.41Å; S141-D504 PolarHBondContact OG-N 3.5Å; S141-D504 PolarHBondContact OG-OD2 3.19Å; A142-D504 PolarHBondContact N-OD2 3.03Å; K143-D504 WeakPolarHBondContact CB-OD1 3.3Å; K143-D504 PolarHBondContact N-OD1 2.9Å; K143-D504 PolarHBondContact N-OD2 3.32Å; D504-N506 VanDerWaalsContact CB-OD1 3.24Å; D504-N506 WeakPolarHBondContact CB-OD1 3.28Å; D504-N506 PolarHBondContact O-N 3.25Å; D504-N506 VanDerWaalsContact O-N 3.1Å; D504-L507 HydrophobicContact CB-CB 4.34Å; D504-L507 HydrophobicContact CB-CD1 4.08Å; D504-L507 HydrophobicContact CB-CG 4.09Å; D504-L507 WeakPolarHBondContact O-CA 3.26Å; D504-L507 PolarHBondContact O-N 3.41Å; D504-V508 PolarHBondContact O-N 3.2Å; D504-V508 VanDerWaalsContact O-N 3.09Å | ||
| 505 | N | 90.7 | Very high | 91.9 | Very high | 132 Ų | 132 | 44.9 Ų | 44.9 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.4 | -172.6 | -74.9 | -24.1 | 0 | 0 | 0 | 113.9 | L507 | N505-L507 VanDerWaalsContact C-N 3.34Š|
| 506 | N | 89.5 | Confident | 91.7 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 62% | 0.62 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.8 | 177.6 | 60.8 | -29.7 | 0 | 0 | 0 | 113.2 | D504 | D504-N506 VanDerWaalsContact CB-OD1 3.24Å; D504-N506 WeakPolarHBondContact CB-OD1 3.28Å; D504-N506 PolarHBondContact O-N 3.25Å; D504-N506 VanDerWaalsContact O-N 3.1Å |
| 507 | L | 87.9 | Confident | 91.1 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 27% | 0.272 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -22.9 | 179.9 | -60.4 | -177.5 | 0 | 0 | 0 | 112.8 | D504 N505 P509 F510 L511 | D504-L507 HydrophobicContact CB-CB 4.34Å; D504-L507 HydrophobicContact CB-CD1 4.08Å; D504-L507 HydrophobicContact CB-CG 4.09Å; D504-L507 WeakPolarHBondContact O-CA 3.26Å; D504-L507 PolarHBondContact O-N 3.41Å; N505-L507 VanDerWaalsContact C-N 3.34Å; L507-P509 VanDerWaalsContact C-N 3.3Å; L507-P509 VanDerWaalsContact O-N 3.13Å; L507-F510 PolarHBondContact O-N 3.02Å; L507-L511 HydrophobicContact CB-CD1 3.61Å; L507-L511 HydrophobicContact CB-CG 3.97Å; L507-L511 HydrophobicContact CD1-CD1 4.13Å; L507-L511 HydrophobicContact CG-CD1 4.49Å; L507-L511 WeakPolarHBondContact O-CG 3.14Å; L507-L511 PolarHBondContact O-N 2.86Å |
| 508 | V | 88.1 | Confident | 90.6 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -44.2 | 179.3 | 167.7 | 0 | 0 | 0 | 0 | 113.9 | R500 L503 D504 F510 | R500-V508 HydrophobicContact CG-CG1 3.8Å; R500-V508 HydrophobicContact CG-CG2 4Å; L503-V508 HydrophobicContact CB-CG2 3.91Å; D504-V508 PolarHBondContact O-N 3.2Å; D504-V508 VanDerWaalsContact O-N 3.09Å; V508-F510 PolarHBondContact O-N 3.09Å |
| 509 | P | 87.5 | Confident | 90.5 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | -179.5 | -22.6 | 35.2 | 0 | 0 | 0 | 114.6 | L507 | L507-P509 VanDerWaalsContact C-N 3.3Å; L507-P509 VanDerWaalsContact O-N 3.13Å |
| 510 | F | 89.4 | Confident | 90.5 | Very high | 126 Ų | 126 | 52.4 Ų | 52.4 | 55% | 0.553 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -16 | -169.9 | -54.2 | -73.8 | 0 | 0 | 0 | 113.4 | L507 V508 V573 | L507-F510 PolarHBondContact O-N 3.02Å; V508-F510 PolarHBondContact O-N 3.09Å; F510-V573 HydrophobicContact CD1-CG1 4.02Å |
| 511 | L | 92.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -101.1 | 135 | 178.3 | -57.6 | -178.9 | 0 | 0 | 0 | 111 | P137 L503 L507 H513 | P137-L511 HydrophobicContact CB-CD2 3.4Å; P137-L511 VanDerWaalsContact CB-CD2 3.4Å; L503-L511 HydrophobicContact CD1-CB 3.97Å; L503-L511 HydrophobicContact CD1-CD1 4.28Å; L503-L511 HydrophobicContact CD2-CD1 4Å; L507-L511 HydrophobicContact CB-CD1 3.61Å; L507-L511 HydrophobicContact CB-CG 3.97Å; L507-L511 HydrophobicContact CD1-CD1 4.13Å; L507-L511 HydrophobicContact CG-CD1 4.49Å; L507-L511 WeakPolarHBondContact O-CG 3.14Å; L507-L511 PolarHBondContact O-N 2.86Å; L511-H513 PolarHBondContact O-N 3.04Å |
| 512 | P | 94.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -66.9 | 132.8 | 176.1 | 28.4 | -33.9 | 0 | 0 | 0 | 110.6 | L497 I533 F566 | L497-P512 HydrophobicContact CD2-CB 3.97Å; L497-P512 HydrophobicContact CD2-CG 4.07Å; P512-I533 HydrophobicContact CB-CB 4.42Å; P512-I533 HydrophobicContact CB-CD1 3.94Å; P512-I533 HydrophobicContact CB-CG2 4.07Å; P512-I533 HydrophobicContact CG-CD1 3.73Å; P512-F566 HydrophobicContact CB-CD1 4.32Å; P512-F566 HydrophobicContact CB-CD2 3.96Å; P512-F566 HydrophobicContact CB-CE1 4.4Å; P512-F566 HydrophobicContact CB-CE2 4.04Å; P512-F566 HydrophobicContact CB-CG 4.1Å; P512-F566 HydrophobicContact CB-CZ 4.27Å | ||
| 513 | H | 94.4 | Very high | 91.1 | Very high | 21 Ų | 21 | 40 Ų | 40 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | trans | -147.3 | 154.3 | 178.5 | 70.1 | 86.2 | 0 | 0 | 0 | 110.9 | P498 L503 L511 S515 K535 | P498-H513 HydrophobicContact CG-CB 4.41Å; P498-H513 CarbonylContact O-C 3.59Å; P498-H513 VanDerWaalsContact O-CA 3.32Å; P498-H513 WeakPolarHBondContact O-CA 3.32Å; P498-H513 WeakPolarHBondContact O-CB 3.25Å; L503-H513 HydrophobicContact CD1-CB 4.06Å; L511-H513 PolarHBondContact O-N 3.04Å; H513-S515 PolarHBondContact ND1-OG 2.8Å; H513-K535 VanDerWaalsContact O-CD 3.24Å; H513-K535 WeakPolarHBondContact O-CD 3.26Å; H513-K535 PolarHBondContact O-NZ 3.3Å | ||
| 514 | L | 91.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | trans | -122.1 | 118.2 | 173.2 | -74.7 | 173.8 | 0 | 0 | 0 | 109.6 | R236 L497 P498 E519 A521 K535 | R236-L514 PolarHBondContact NH1-O 3.07Å; L497-L514 HydrophobicContact CB-CB 4.43Å; L497-L514 HydrophobicContact CB-CD1 4.27Å; L497-L514 HydrophobicContact CB-CG 4.23Å; L497-L514 HydrophobicContact CD1-CD1 3.88Å; L497-L514 HydrophobicContact CD1-CG 3.76Å; P498-L514 PolarHBondContact O-N 3.14Å; L514-E519 HydrophobicContact CD2-CB 3.69Å; L514-A521 HydrophobicContact CD1-CB 4.37Å; L514-A521 HydrophobicContact CD2-CB 4.07Å; L514-A521 HydrophobicContact CG-CB 4.46Å; L514-K535 HydrophobicContact CD2-CD 4.11Å; L514-K535 HydrophobicContact CD2-CG 4.31Å | ||
| 515 | S | 87.1 | Confident | 91.3 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | trans | -132.7 | -7.5 | -170.7 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | R500 H513 E519 | R500-S515 WeakPolarHBondContact CB-OG 3.4Å; R500-S515 PolarHBondContact N-OG 3.24Å; H513-S515 PolarHBondContact ND1-OG 2.8Å; S515-E519 PolarHBondContact N-OE2 2.76Å | ||
| 516 | N | 84.6 | Confident | 91.5 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 32% | 0.321 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -137.3 | 146.1 | 179.5 | -176.5 | -51.3 | 0 | 0 | 0 | 111.9 | E518 E519 | N516-E518 PolarHBondContact O-N 2.82Å; N516-E518 VanDerWaalsContact O-N 3.13Å; N516-E518 WeakPolarHBondContact OD1-CB 3.35Å; N516-E518 WeakPolarHBondContact OD1-CG 3.49Å; N516-E518 PolarHBondContact OD1-N 3.39Å; N516-E519 HydrophobicContact CB-CG 4.06Å; N516-E519 PolarHBondContact N-OE2 2.89Å; N516-E519 WeakPolarHBondContact O-CB 3.36Å; N516-E519 PolarHBondContact O-N 3.2Å |
| 517 | A | 79.7 | Confident | 91.5 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 25% | 0.248 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R520 M682 | A517-R520 PolarHBondContact O-NH1 3.35Å; A517-R520 PolarHBondContact O-NH2 3.42Å; A517-R520 VanDerWaalsContact O-NH2 3.13Å; A517-M682 WeakPolarHBondContact CA-SD 3.46Å; A517-M682 HydrophobicContact CB-CE 3.64Å; A517-M682 HydrophobicContact CB-CG 3.42Å; A517-M682 VanDerWaalsContact CB-CG 3.42Å; A517-M682 HydrophobicContact CB-SD 3.38Å; A517-M682 WeakPolarHBondContact CB-SD 3.36Å; A517-M682 PolarHBondContact N-SD 3.04Å |
| 518 | E | 85.4 | Confident | 91.5 | Very high | 84 Ų | 84 | 33.7 Ų | 33.7 | 39% | 0.393 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.7 | -178.4 | -58.5 | 179.8 | 148.9 | 0 | 0 | 112.2 | N516 N661 | N516-E518 PolarHBondContact O-N 2.82Å; N516-E518 VanDerWaalsContact O-N 3.13Å; N516-E518 WeakPolarHBondContact OD1-CB 3.35Å; N516-E518 WeakPolarHBondContact OD1-CG 3.49Å; N516-E518 PolarHBondContact OD1-N 3.39Å; E518-N661 WeakPolarHBondContact CA-ND2 3.35Å; E518-N661 PolarHBondContact O-ND2 2.97Å |
| 519 | E | 92.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | trans | -81.8 | 134.2 | 178.2 | -66.2 | 177.3 | 139.8 | 0 | 0 | 110.8 | L514 S515 N516 K535 G536 K537 | L514-E519 HydrophobicContact CD2-CB 3.69Å; S515-E519 PolarHBondContact N-OE2 2.76Å; N516-E519 HydrophobicContact CB-CG 4.06Å; N516-E519 PolarHBondContact N-OE2 2.89Å; N516-E519 WeakPolarHBondContact O-CB 3.36Å; N516-E519 PolarHBondContact O-N 3.2Å; E519-K535 HydrophobicContact CB-CD 4.5Å; E519-K535 IonicContact OE1-NZ 3.68Å; E519-K535 PolarHBondContact OE1-NZ 3.36Å; E519-G536 WeakPolarHBondContact CA-O 3.28Å; E519-K537 HydrophobicContact CG-CB 4.16Å; E519-K537 HydrophobicContact CG-CD 4.17Å; E519-K537 HydrophobicContact CG-CG 4.32Å | ||
| 520 | R | 94.1 | Very high | 92 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.7 | 171.3 | -64.5 | -70.2 | 173.6 | -79.5 | -2.9 | 108.3 | L491 A517 K535 G536 L621 N661 | L491-R520 HydrophobicContact CD2-CB 4.3Å; A517-R520 PolarHBondContact O-NH1 3.35Å; A517-R520 PolarHBondContact O-NH2 3.42Å; A517-R520 VanDerWaalsContact O-NH2 3.13Å; R520-K535 CarbonylContact O-C 3.55Å; R520-K535 WeakPolarHBondContact O-CA 3.44Å; R520-G536 PolarHBondContact N-O 3.49Å; R520-G536 PolarHBondContact O-N 2.79Å; R520-L621 HydrophobicContact CB-CD2 3.5Å; R520-L621 WeakPolarHBondContact O-CD2 3.41Å; R520-N661 PolarHBondContact NE-OD1 3.37Å; R520-N661 PolarHBondContact NH1-OD1 2.93Å; R520-N661 PolarHBondContact NH2-OD1 2.8Å |
| 521 | A | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L491 I492 L497 L514 I533 I534 K535 | L491-A521 WeakPolarHBondContact CA-O 3.39Å; I492-A521 HydrophobicContact CD1-CB 4.37Å; I492-A521 HydrophobicContact CG1-CB 3.99Å; I492-A521 WeakPolarHBondContact CG1-O 3.47Å; I492-A521 PolarHBondContact N-O 2.65Å; L497-A521 HydrophobicContact CD1-CB 4.04Å; L514-A521 HydrophobicContact CD1-CB 4.37Å; L514-A521 HydrophobicContact CD2-CB 4.07Å; L514-A521 HydrophobicContact CG-CB 4.46Å; A521-I533 HydrophobicContact CB-CG2 4.34Å; A521-I534 CarbonylContact C-O 3.56Å; A521-I534 WeakPolarHBondContact CA-O 3.19Å; A521-K535 HydrophobicContact CB-CB 4.31Å; A521-K535 HydrophobicContact CB-CG 4.39Å |
| 522 | F | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.3 | 165.9 | -81.5 | -96.4 | 0 | 0 | 0 | 109.3 | S474 I476 A489 H490 L491 I533 I534 C617 T620 L621 L624 | S474-F522 WeakPolarHBondContact O-CE1 3.32Å; I476-F522 HydrophobicContact CD1-CE1 4.16Å; A489-F522 HydrophobicContact CB-CD1 4.07Å; H490-F522 VanDerWaalsContact O-CA 3.3Å; H490-F522 WeakPolarHBondContact O-CA 3.41Å; L491-F522 HydrophobicContact CD2-CD2 3.76Å; L491-F522 HydrophobicContact CD2-CE1 4.32Å; L491-F522 HydrophobicContact CD2-CE2 3.41Å; L491-F522 VanDerWaalsContact CD2-CE2 3.41Å; L491-F522 HydrophobicContact CD2-CG 4.34Å; L491-F522 HydrophobicContact CD2-CZ 3.73Å; L491-F522 HydrophobicContact CG-CE1 4.17Å; L491-F522 HydrophobicContact CG-CE2 4.07Å; L491-F522 HydrophobicContact CG-CZ 3.83Å; F522-I533 CarbonylContact O-C 3.58Å; F522-I533 VanDerWaalsContact O-CA 3.24Å; F522-I533 WeakPolarHBondContact O-CA 3.45Å; F522-I534 PolarHBondContact N-O 3.44Å; F522-I534 PolarHBondContact O-N 3.27Å; F522-C617 HydrophobicContact CB-CB 4.27Å; F522-C617 HydrophobicContact CD2-CB 4.41Å; F522-C617 HydrophobicContact CG-CB 4.28Å; F522-T620 HydrophobicContact CE2-CG2 4.02Å; F522-T620 HydrophobicContact CZ-CG2 3.72Å; F522-L621 HydrophobicContact CD2-CD1 4.31Å; F522-L621 HydrophobicContact CD2-CD2 3.96Å; F522-L621 HydrophobicContact CD2-CG 3.91Å; F522-L621 HydrophobicContact CE2-CD2 4.08Å; F522-L621 HydrophobicContact CE2-CG 4.08Å; F522-L624 HydrophobicContact CE2-CD1 4.12Å; F522-L624 HydrophobicContact CZ-CD1 4.3Å |
| 523 | V | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.5 | 156.1 | 62.1 | 0 | 0 | 0 | 0 | 108 | A489 H490 I492 L525 D530 I533 | A489-V523 CarbonylContact C-O 3.59Å; A489-V523 WeakPolarHBondContact CA-O 3.4Å; H490-V523 PolarHBondContact N-O 2.71Å; H490-V523 WeakPolarHBondContact NE2-CG1 3.23Å; H490-V523 PolarHBondContact O-N 3.46Å; I492-V523 HydrophobicContact CD1-CB 4.05Å; I492-V523 HydrophobicContact CG1-CB 4.41Å; I492-V523 HydrophobicContact CG2-CB 3.98Å; I492-V523 HydrophobicContact CG2-CG1 3.39Å; V523-L525 HydrophobicContact CB-CD2 4.29Å; V523-L525 HydrophobicContact CG1-CD2 3.57Å; V523-L525 HydrophobicContact CG2-CD2 4.02Å; V523-D530 HydrophobicContact CG2-CB 3.98Å; V523-I533 HydrophobicContact CB-CG1 4.35Å; V523-I533 HydrophobicContact CG2-CG1 4.28Å |
| 524 | I | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.5 | 170.7 | -57.9 | 173.8 | 0 | 0 | 0 | 106.8 | M488 A489 D530 Y531 A532 I534 E610 A613 S614 | M488-I524 WeakPolarHBondContact O-CA 3.5Å; A489-I524 HydrophobicContact CB-CB 4.46Å; A489-I524 HydrophobicContact CB-CG1 3.81Å; I524-D530 CarbonylContact O-C 3.56Å; I524-D530 WeakPolarHBondContact O-CA 3.34Å; I524-Y531 HydrophobicContact CG2-CD1 4.21Å; I524-Y531 PolarHBondContact O-N 2.61Å; I524-A532 HydrophobicContact CB-CB 4.45Å; I524-A532 HydrophobicContact CD1-CB 4.28Å; I524-A532 PolarHBondContact N-O 3.29Å; I524-A532 PolarHBondContact O-N 2.91Å; I524-I534 HydrophobicContact CD1-CD1 3.53Å; I524-I534 HydrophobicContact CD1-CG1 4.15Å; I524-E610 HydrophobicContact CG2-CB 4.36Å; I524-A613 HydrophobicContact CG2-CB 4.1Å; I524-S614 WeakPolarHBondContact CD1-OG 3.4Å |
| 525 | L | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.8 | -177 | 38.8 | 152.4 | 0 | 0 | 0 | 110.5 | P246 L249 F251 S487 M488 V523 G529 | P246-L525 HydrophobicContact CG-CB 4.38Å; P246-L525 HydrophobicContact CG-CD1 4.42Å; L249-L525 HydrophobicContact CD1-CD1 3.64Å; F251-L525 HydrophobicContact CE2-CD1 3.89Å; F251-L525 HydrophobicContact CZ-CD1 3.77Å; F251-L525 HydrophobicContact CZ-CG 4.23Å; S487-L525 WeakPolarHBondContact CA-O 3.36Å; S487-L525 PolarHBondContact OG-O 3.46Å; M488-L525 HydrophobicContact CB-CD1 4.43Å; M488-L525 HydrophobicContact CB-CG 4.27Å; M488-L525 PolarHBondContact N-O 3.11Å; M488-L525 WeakPolarHBondContact O-CG 3.38Å; M488-L525 PolarHBondContact O-N 3.29Å; V523-L525 HydrophobicContact CB-CD2 4.29Å; V523-L525 HydrophobicContact CG1-CD2 3.57Å; V523-L525 HydrophobicContact CG2-CD2 4.02Å; L525-G529 WeakPolarHBondContact CA-O 3.31Å |
| 526 | N | 94 | Very high | 93.6 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | -170.7 | 170.5 | 68.9 | 12.7 | 0 | 0 | 0 | 109 | P246 E528 G529 E610 | P246-N526 WeakPolarHBondContact CB-O 3.17Å; N526-E528 PolarHBondContact O-N 2.8Å; N526-E528 VanDerWaalsContact O-N 3.1Å; N526-E528 WeakPolarHBondContact OD1-CA 3.05Å; N526-E528 WeakPolarHBondContact OD1-CB 3.26Å; N526-E528 PolarHBondContact OD1-N 3.32Å; N526-G529 PolarHBondContact N-O 2.86Å; N526-G529 PolarHBondContact O-N 3.46Å; N526-G529 VanDerWaalsContact O-N 3.15Å; N526-G529 PolarHBondContact OD1-N 3.33Å; N526-G529 PolarHBondContact OD1-O 3.31Å; N526-E610 HydrophobicContact CB-CG 4.29Å; N526-E610 WeakPolarHBondContact CB-OE1 3.23Å; N526-E610 PolarHBondContact ND2-OE1 2.85Å |
| 527 | K | 90.2 | Very high | 94.1 | Very high | 94 Ų | 94 | 21.8 Ų | 21.8 | 41% | 0.409 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.6 | 179.8 | -173.4 | 174.4 | 175.9 | 174.7 | 0 | 114.3 | F251 | F251-K527 HydrophobicContact CB-CB 3.7Å; F251-K527 HydrophobicContact CB-CG 4.39Å |
| 528 | E | 86.6 | Confident | 94.8 | Very high | 101 Ų | 101 | 20.9 Ų | 20.9 | 47% | 0.472 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14.3 | -175.2 | -59.3 | 173.9 | 176.4 | 0 | 0 | 113 | R4 N526 | R4-E528 WeakPolarHBondContact CG-O 3.32Å; N526-E528 PolarHBondContact O-N 2.8Å; N526-E528 VanDerWaalsContact O-N 3.1Å; N526-E528 WeakPolarHBondContact OD1-CA 3.05Å; N526-E528 WeakPolarHBondContact OD1-CB 3.26Å; N526-E528 PolarHBondContact OD1-N 3.32Å |
| 529 | G | 91.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -159.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L525 N526 Y531 | L525-G529 WeakPolarHBondContact CA-O 3.31Å; N526-G529 PolarHBondContact N-O 2.86Å; N526-G529 PolarHBondContact O-N 3.46Å; N526-G529 VanDerWaalsContact O-N 3.15Å; N526-G529 PolarHBondContact OD1-N 3.33Å; N526-G529 PolarHBondContact OD1-O 3.31Å; G529-Y531 PolarHBondContact O-N 3.02Å |
| 530 | D | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 118.9 | 172.8 | -46.6 | -40.9 | 0 | 0 | 0 | 112.5 | R4 Y132 R241 V523 I524 L568 | R4-D530 PolarHBondContact NH1-O 3.22Å; R4-D530 PolarHBondContact NH2-O 3.15Å; Y132-D530 VanDerWaalsContact CE2-OD1 3.27Å; Y132-D530 WeakPolarHBondContact CE2-OD1 3.47Å; Y132-D530 PolarHBondContact OH-OD1 2.96Å; R241-D530 IonicContact CZ-OD1 2.69Å; R241-D530 IonicContact CZ-OD2 3.06Å; R241-D530 VanDerWaalsContact CZ-OD2 3.23Å; R241-D530 IonicContact NH1-OD1 2.79Å; R241-D530 IonicContact NH1-OD2 3.38Å; R241-D530 PolarHBondContact NH1-OD2 2.91Å; R241-D530 IonicContact NH2-OD1 2.71Å; R241-D530 PolarHBondContact NH2-OD1 3.32Å; R241-D530 IonicContact NH2-OD2 2.71Å; R241-D530 PolarHBondContact NH2-OD2 2.88Å; V523-D530 HydrophobicContact CG2-CB 3.98Å; I524-D530 CarbonylContact O-C 3.56Å; I524-D530 WeakPolarHBondContact O-CA 3.34Å; D530-L568 HydrophobicContact CB-CD1 3.52Å |
| 531 | Y | 95.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -50 | 176.8 | -178.5 | -98.1 | 0 | 0 | 0 | 112.2 | I524 G529 L568 L569 N607 E610 Q611 | I524-Y531 HydrophobicContact CG2-CD1 4.21Å; I524-Y531 PolarHBondContact O-N 2.61Å; G529-Y531 PolarHBondContact O-N 3.02Å; Y531-L568 PolarHBondContact O-N 3.35Å; Y531-L569 HydrophobicContact CD2-CD1 3.74Å; Y531-L569 HydrophobicContact CE2-CD1 3.8Å; Y531-N607 HydrophobicContact CE2-CB 4.17Å; Y531-E610 HydrophobicContact CD1-CB 3.69Å; Y531-E610 HydrophobicContact CD1-CG 4.17Å; Y531-E610 HydrophobicContact CD2-CB 4.05Å; Y531-E610 HydrophobicContact CD2-CG 3.82Å; Y531-E610 HydrophobicContact CE1-CB 3.68Å; Y531-E610 HydrophobicContact CE1-CG 4.49Å; Y531-E610 HydrophobicContact CE2-CB 4.04Å; Y531-E610 HydrophobicContact CE2-CG 4.16Å; Y531-E610 HydrophobicContact CG-CB 3.88Å; Y531-E610 HydrophobicContact CG-CG 3.82Å; Y531-Q611 PolarHBondContact OH-NE2 2.97Å |
| 532 | A | 97.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 161.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I524 F566 | I524-A532 HydrophobicContact CB-CB 4.45Å; I524-A532 HydrophobicContact CD1-CB 4.28Å; I524-A532 PolarHBondContact N-O 3.29Å; I524-A532 PolarHBondContact O-N 2.91Å; A532-F566 CarbonylContact C-O 3.57Å; A532-F566 WeakPolarHBondContact CA-O 3.48Å; A532-F566 VanDerWaalsContact CB-O 3.3Å; A532-F566 WeakPolarHBondContact CB-O 3.46Å |
| 533 | I | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131 | 164.6 | -71.8 | 161.1 | 0 | 0 | 0 | 108.3 | L136 I492 L497 P512 A521 F522 V523 F566 L568 | L136-I533 HydrophobicContact CD2-CD1 3.84Å; I492-I533 HydrophobicContact CD1-CD1 4.3Å; I492-I533 HydrophobicContact CD1-CG1 4.24Å; I492-I533 HydrophobicContact CD1-CG2 4.43Å; L497-I533 HydrophobicContact CD2-CD1 4.12Å; P512-I533 HydrophobicContact CB-CB 4.42Å; P512-I533 HydrophobicContact CB-CD1 3.94Å; P512-I533 HydrophobicContact CB-CG2 4.07Å; P512-I533 HydrophobicContact CG-CD1 3.73Å; A521-I533 HydrophobicContact CB-CG2 4.34Å; F522-I533 CarbonylContact O-C 3.58Å; F522-I533 VanDerWaalsContact O-CA 3.24Å; F522-I533 WeakPolarHBondContact O-CA 3.45Å; V523-I533 HydrophobicContact CB-CG1 4.35Å; V523-I533 HydrophobicContact CG2-CG1 4.28Å; I533-F566 HydrophobicContact CB-CB 4.29Å; I533-F566 HydrophobicContact CB-CD2 4.35Å; I533-F566 HydrophobicContact CG2-CD2 4.18Å; I533-F566 PolarHBondContact N-O 3.12Å; I533-F566 PolarHBondContact O-N 3.1Å; I533-L568 HydrophobicContact CD1-CD1 4.08Å; I533-L568 HydrophobicContact CD1-CD2 4.41Å; I533-L568 HydrophobicContact CG1-CD1 4.14Å |
| 534 | I | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.1 | 176.6 | -57.7 | 176.2 | 0 | 0 | 0 | 107.7 | A521 F522 I524 V563 A565 I589 C617 V618 L621 | A521-I534 CarbonylContact C-O 3.56Å; A521-I534 WeakPolarHBondContact CA-O 3.19Å; F522-I534 PolarHBondContact N-O 3.44Å; F522-I534 PolarHBondContact O-N 3.27Å; I524-I534 HydrophobicContact CD1-CD1 3.53Å; I524-I534 HydrophobicContact CD1-CG1 4.15Å; I534-V563 HydrophobicContact CG2-CG1 3.57Å; I534-A565 HydrophobicContact CG1-CB 4.41Å; I534-I589 HydrophobicContact CD1-CD1 3.42Å; I534-I589 VanDerWaalsContact CD1-CD1 3.42Å; I534-I589 HydrophobicContact CG1-CD1 3.96Å; I534-I589 HydrophobicContact CG2-CD1 4.33Å; I534-C617 HydrophobicContact CB-CB 4.29Å; I534-C617 HydrophobicContact CD1-CB 3.63Å; I534-C617 HydrophobicContact CG2-CB 4.44Å; I534-V618 HydrophobicContact CG2-CG2 4.13Å; I534-L621 HydrophobicContact CB-CD1 4.36Å; I534-L621 HydrophobicContact CG2-CD1 3.61Å |
| 535 | K | 97.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.9 | 177.3 | -173.4 | -179 | 78.1 | 163 | 0 | 109.9 | H513 L514 E519 R520 A521 V563 D564 F566 | H513-K535 VanDerWaalsContact O-CD 3.24Å; H513-K535 WeakPolarHBondContact O-CD 3.26Å; H513-K535 PolarHBondContact O-NZ 3.3Å; L514-K535 HydrophobicContact CD2-CD 4.11Å; L514-K535 HydrophobicContact CD2-CG 4.31Å; E519-K535 HydrophobicContact CB-CD 4.5Å; E519-K535 IonicContact OE1-NZ 3.68Å; E519-K535 PolarHBondContact OE1-NZ 3.36Å; R520-K535 CarbonylContact O-C 3.55Å; R520-K535 WeakPolarHBondContact O-CA 3.44Å; A521-K535 HydrophobicContact CB-CB 4.31Å; A521-K535 HydrophobicContact CB-CG 4.39Å; K535-V563 CarbonylContact O-C 3.53Å; K535-V563 VanDerWaalsContact O-CA 3.23Å; K535-V563 WeakPolarHBondContact O-CA 3.45Å; K535-D564 HydrophobicContact CB-CB 4.4Å; K535-D564 VanDerWaalsContact CE-OD2 3.23Å; K535-D564 WeakPolarHBondContact CE-OD2 3.41Å; K535-D564 PolarHBondContact N-O 3.32Å; K535-D564 IonicContact NZ-OD2 3.02Å; K535-D564 PolarHBondContact O-N 3.45Å; K535-F566 HydrophobicContact CB-CE2 4.41Å |
| 536 | G | 96.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E519 R520 H562 | E519-G536 WeakPolarHBondContact CA-O 3.28Å; R520-G536 PolarHBondContact N-O 3.49Å; R520-G536 PolarHBondContact O-N 2.79Å; G536-H562 CarbonylContact C-O 3.57Å; G536-H562 VanDerWaalsContact CA-O 3.28Å; G536-H562 WeakPolarHBondContact CA-O 3.35Å |
| 537 | K | 95.3 | Very high | 89.5 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 30% | 0.3 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136.1 | 169.1 | -177.6 | 178.3 | 175.3 | 177.8 | 0 | 110.3 | E519 H562 | E519-K537 HydrophobicContact CG-CB 4.16Å; E519-K537 HydrophobicContact CG-CD 4.17Å; E519-K537 HydrophobicContact CG-CG 4.32Å; K537-H562 PolarHBondContact N-O 3.06Å; K537-H562 PolarHBondContact O-N 3.29Å |
| 538 | W | 94.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 144.9 | 173.5 | -158.7 | -90.7 | 0 | 0 | 0 | 112 | P558 R560 L561 F622 C625 N626 P627 H641 | W538-P558 WeakPolarHBondContact CZ2-O 3.41Å; W538-P558 PolarHBondContact NE1-O 3.02Å; W538-R560 WeakPolarHBondContact CA-O 3.29Å; W538-L561 HydrophobicContact CE3-CB 3.96Å; W538-L561 HydrophobicContact CE3-CD1 4.27Å; W538-L561 HydrophobicContact CZ3-CB 3.97Å; W538-F622 HydrophobicContact CH2-CD2 4.14Å; W538-F622 HydrophobicContact CH2-CE1 4.47Å; W538-F622 AromaticContact CH2-CE2 3.59Å; W538-F622 HydrophobicContact CH2-CE2 3.59Å; W538-F622 AromaticContact CH2-CZ 3.78Å; W538-F622 HydrophobicContact CH2-CZ 3.78Å; W538-F622 AromaticContact CZ3-CD2 3.75Å; W538-F622 HydrophobicContact CZ3-CD2 3.75Å; W538-F622 AromaticContact CZ3-CE2 3.7Å; W538-F622 HydrophobicContact CZ3-CE2 3.7Å; W538-F622 HydrophobicContact CZ3-CG 4.27Å; W538-F622 HydrophobicContact CZ3-CZ 4.17Å; W538-C625 HydrophobicContact CB-CB 4.25Å; W538-C625 VanDerWaalsContact CB-O 3.3Å; W538-C625 WeakPolarHBondContact CB-O 3.48Å; W538-N626 HydrophobicContact CD2-CB 4.42Å; W538-N626 HydrophobicContact CE3-CB 3.96Å; W538-N626 HydrophobicContact CH2-CB 3.97Å; W538-N626 HydrophobicContact CZ2-CB 4.43Å; W538-N626 HydrophobicContact CZ3-CB 3.71Å; W538-P627 HydrophobicContact CG-CG 4.15Å; W538-H641 AromaticContact CH2-CD2 3.89Å |
| 539 | S | 92.8 | Very high | 87.9 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 164 | 171 | 91.6 | 0 | 0 | 0 | 0 | 112.3 | F541 G559 R560 H562 | S539-F541 VanDerWaalsContact C-N 3.27Å; S539-F541 PolarHBondContact O-N 2.88Å; S539-G559 CarbonylContact O-C 3.52Å; S539-G559 WeakPolarHBondContact O-CA 3.41Å; S539-R560 PolarHBondContact N-O 3.3Å; S539-R560 PolarHBondContact O-N 3.4Å; S539-H562 WeakPolarHBondContact CB-NE2 3.18Å; S539-H562 PolarHBondContact OG-CD2 3.14Å; S539-H562 VanDerWaalsContact OG-CD2 3.29Å; S539-H562 PolarHBondContact OG-NE2 3.34Å |
| 540 | G | 89.8 | Confident | 87.1 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | trans | 75 | 6.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N557 | G540-N557 WeakPolarHBondContact O-CB 3.18Å; G540-N557 PolarHBondContact O-ND2 2.93Å | ||
| 541 | F | 88.8 | Confident | 86.2 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | trans | -70.4 | 130.1 | 174.2 | 178.3 | -104.1 | 0 | 0 | 0 | 111 | S539 R543 N557 P558 P627 D628 V639 | S539-F541 VanDerWaalsContact C-N 3.27Å; S539-F541 PolarHBondContact O-N 2.88Å; F541-R543 HydrophobicContact CE1-CG 3.84Å; F541-R543 HydrophobicContact CZ-CG 3.95Å; F541-N557 WeakPolarHBondContact CA-O 3.48Å; F541-N557 WeakPolarHBondContact CD2-O 3.35Å; F541-P558 WeakPolarHBondContact CD2-O 3.45Å; F541-P627 HydrophobicContact CB-CG 3.59Å; F541-P627 HydrophobicContact CD1-CB 4.13Å; F541-P627 HydrophobicContact CD1-CG 3.65Å; F541-P627 HydrophobicContact CD2-CG 3.97Å; F541-P627 HydrophobicContact CE1-CB 4.46Å; F541-P627 HydrophobicContact CE1-CG 4.28Å; F541-P627 HydrophobicContact CG-CB 4.42Å; F541-P627 HydrophobicContact CG-CG 3.47Å; F541-P627 VanDerWaalsContact CG-CG 3.47Å; F541-D628 HydrophobicContact CE2-CB 4.24Å; F541-V639 HydrophobicContact CE2-CG1 4.24Å | ||
| 542 | S | 85.3 | Confident | 85.2 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -143.9 | 129 | 172 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | G556 N557 V639 | S542-G556 CarbonylContact O-C 3.53Å; S542-G556 WeakPolarHBondContact O-CA 3.16Å; S542-N557 PolarHBondContact N-O 2.87Å; S542-N557 PolarHBondContact O-N 2.62Å; S542-N557 VanDerWaalsContact OG-CB 3.31Å; S542-N557 WeakPolarHBondContact OG-CB 3.09Å; S542-N557 PolarHBondContact OG-N 2.79Å; S542-V639 WeakPolarHBondContact O-CG1 3.41Å |
| 543 | R | 80.4 | Confident | 84.3 | Confident | 125 Ų | 125 | 76.5 Ų | 76.5 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 149.8 | 177 | -63.7 | -177.4 | -175.5 | -80.9 | -7.6 | 110.9 | F541 Q545 | F541-R543 HydrophobicContact CE1-CG 3.84Å; F541-R543 HydrophobicContact CZ-CG 3.95Å; R543-Q545 PolarHBondContact O-N 2.79Å |
| 544 | K | 78.3 | Confident | 83.3 | Confident | 129 Ų | 129 | 82.8 Ų | 82.8 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -59 | 127 | 170.1 | -177.4 | -179 | 179.2 | -179.9 | 0 | 108.6 | K554 V639 | K544-K554 WeakPolarHBondContact CG-O 3.26Å; K544-V639 HydrophobicContact CB-CG2 3.78Å |
| 545 | Q | 76.4 | Confident | 82.4 | Confident | 115 Ų | 115 | 88 Ų | 88 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -93.8 | 120.3 | 175.7 | -64.2 | 179.6 | -3.2 | 0 | 0 | 108.5 | R543 A553 K554 | R543-Q545 PolarHBondContact O-N 2.79Å; Q545-A553 WeakPolarHBondContact O-CA 3.35Å; Q545-A553 WeakPolarHBondContact O-CB 3.24Å; Q545-K554 HydrophobicContact CB-CB 4.28Å; Q545-K554 PolarHBondContact N-O 3.42Å; Q545-K554 VanDerWaalsContact N-O 3.1Å; Q545-K554 PolarHBondContact O-N 2.66Å |
| 546 | S | 75.8 | Confident | 81.6 | Confident | 111 Ų | 111 | 88.7 Ų | 88.7 | 78% | 0.776 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 144.1 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | T548 | S546-T548 PolarHBondContact O-N 3.38Š|
| 547 | A | 74.5 | Confident | 81.1 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 123.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q551 A553 | A547-Q551 VanDerWaalsContact CB-O 3.29Å; A547-Q551 WeakPolarHBondContact CB-O 3.43Å; A547-A553 HydrophobicContact CB-CB 4.15Å |
| 548 | T | 74.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 90.8 Ų | 90.8 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 154.5 | 160.7 | 32.4 | 0 | 0 | 0 | 0 | 109.5 | S546 G550 Q551 | S546-T548 PolarHBondContact O-N 3.38Å; T548-G550 PolarHBondContact O-N 2.85Å; T548-Q551 PolarHBondContact O-N 3.05Å |
| 549 | K | 69.6 | Low | 80.5 | Confident | 226 Ų | 226 | 90.6 Ų | 90.6 | 98% | 0.983 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 114.2 | -175.7 | -151.7 | 178.3 | -174 | -178 | 0 | 109.9 | ||
| 550 | G | 75.1 | Confident | 80.6 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 88% | 0.876 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -3.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | T548 | T548-G550 PolarHBondContact O-N 2.85Š|
| 551 | Q | 75.4 | Confident | 80.9 | Confident | 135 Ų | 135 | 91.2 Ų | 91.2 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -121.8 | 143.2 | 176.8 | -66.9 | -172.7 | -8.1 | 0 | 0 | 112.2 | A547 T548 | A547-Q551 VanDerWaalsContact CB-O 3.29Å; A547-Q551 WeakPolarHBondContact CB-O 3.43Å; T548-Q551 PolarHBondContact O-N 3.05Å |
| 552 | K | 75.1 | Confident | 81.3 | Confident | 199 Ų | 199 | 91.4 Ų | 91.4 | 87% | 0.865 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 142 | 174.4 | -69.2 | -176.1 | 179.4 | 179 | 0 | 110.4 | K554 | K552-K554 PolarHBondContact O-N 2.86Š|
| 553 | A | 77.1 | Confident | 81.9 | Confident | 44 Ų | 44 | 88.8 Ų | 88.8 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 133.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q545 A547 | Q545-A553 WeakPolarHBondContact O-CA 3.35Å; Q545-A553 WeakPolarHBondContact O-CB 3.24Å; A547-A553 HydrophobicContact CB-CB 4.15Å |
| 554 | K | 78.6 | Confident | 82.7 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | B | Isolated β-bridge | trans | -84.6 | 126.4 | 173.3 | -66.7 | -177 | -177.8 | 172.3 | 0 | 109.3 | K544 Q545 K552 | K544-K554 WeakPolarHBondContact CG-O 3.26Å; Q545-K554 HydrophobicContact CB-CB 4.28Å; Q545-K554 PolarHBondContact N-O 3.42Å; Q545-K554 VanDerWaalsContact N-O 3.1Å; Q545-K554 PolarHBondContact O-N 2.66Å; K552-K554 PolarHBondContact O-N 2.86Å |
| 555 | P | 79.4 | Confident | 83.7 | Confident | 111 Ų | 111 | 78.8 Ų | 78.8 | 72% | 0.721 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 146.4 | 176.2 | 27.5 | -33.4 | 0 | 0 | 0 | 109.9 | ||
| 556 | G | 80.7 | Confident | 84.7 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 26% | 0.258 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 163.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S542 | S542-G556 CarbonylContact O-C 3.53Å; S542-G556 WeakPolarHBondContact O-CA 3.16Å |
| 557 | N | 86.1 | Confident | 85.6 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -122 | 124.7 | 173.1 | -172.4 | -19.4 | 0 | 0 | 0 | 108.4 | G540 F541 S542 G559 | G540-N557 WeakPolarHBondContact O-CB 3.18Å; G540-N557 PolarHBondContact O-ND2 2.93Å; F541-N557 WeakPolarHBondContact CA-O 3.48Å; F541-N557 WeakPolarHBondContact CD2-O 3.35Å; S542-N557 PolarHBondContact N-O 2.87Å; S542-N557 PolarHBondContact O-N 2.62Å; S542-N557 VanDerWaalsContact OG-CB 3.31Å; S542-N557 WeakPolarHBondContact OG-CB 3.09Å; S542-N557 PolarHBondContact OG-N 2.79Å; N557-G559 PolarHBondContact O-N 3.29Å; N557-G559 PolarHBondContact OD1-N 3.4Å |
| 558 | P | 85.7 | Confident | 86.4 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | trans | -63.3 | -25.1 | 175.5 | 22.8 | -32 | 0 | 0 | 0 | 112.6 | W538 F541 V639 | W538-P558 WeakPolarHBondContact CZ2-O 3.41Å; W538-P558 PolarHBondContact NE1-O 3.02Å; F541-P558 WeakPolarHBondContact CD2-O 3.45Å; P558-V639 VanDerWaalsContact CA-O 3.24Å; P558-V639 WeakPolarHBondContact CA-O 3.45Å; P558-V639 WeakPolarHBondContact CB-O 3.5Å | ||
| 559 | G | 91.3 | Very high | 87.1 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | trans | 71.3 | -169.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S539 N557 H641 | S539-G559 CarbonylContact O-C 3.52Å; S539-G559 WeakPolarHBondContact O-CA 3.41Å; N557-G559 PolarHBondContact O-N 3.29Å; N557-G559 PolarHBondContact OD1-N 3.4Å; G559-H641 PolarHBondContact O-NE2 2.84Å | ||
| 560 | R | 94.2 | Very high | 87.9 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.5 | -174.1 | 57.2 | -173.1 | 160.3 | -140.3 | -3.4 | 111.6 | W538 S539 E577 | W538-R560 WeakPolarHBondContact CA-O 3.29Å; S539-R560 PolarHBondContact N-O 3.3Å; S539-R560 PolarHBondContact O-N 3.4Å; R560-E577 WeakPolarHBondContact CD-OE2 3.24Å; R560-E577 IonicContact CZ-OE2 3.23Å; R560-E577 IonicContact NE-OE2 2.7Å; R560-E577 PolarHBondContact NE-OE2 3.27Å; R560-E577 IonicContact NH1-OE2 3.72Å |
| 561 | L | 96.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.2 | 169.9 | -177.1 | 74.8 | 0 | 0 | 0 | 109.4 | W538 V563 E577 V578 L621 F622 C625 | W538-L561 HydrophobicContact CE3-CB 3.96Å; W538-L561 HydrophobicContact CE3-CD1 4.27Å; W538-L561 HydrophobicContact CZ3-CB 3.97Å; L561-V563 HydrophobicContact CD2-CG2 3.47Å; L561-V563 VanDerWaalsContact CD2-CG2 3.47Å; L561-V563 HydrophobicContact CG-CG2 3.73Å; L561-E577 CarbonylContact O-C 3.42Å; L561-E577 WeakPolarHBondContact O-CA 3.42Å; L561-V578 WeakPolarHBondContact CB-O 3.17Å; L561-V578 PolarHBondContact N-O 2.71Å; L561-V578 PolarHBondContact O-N 3.21Å; L561-L621 HydrophobicContact CD1-CB 4.47Å; L561-L621 HydrophobicContact CD2-CB 4.07Å; L561-F622 HydrophobicContact CB-CD2 4.2Å; L561-F622 HydrophobicContact CD2-CB 4.03Å; L561-C625 HydrophobicContact CD1-CB 3.82Å |
| 562 | H | 97.5 | Very high | 89.3 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 26% | 0.255 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.7 | 162.8 | -62 | -85.3 | 0 | 0 | 0 | 109.1 | G536 K537 S539 E577 | G536-H562 CarbonylContact C-O 3.57Å; G536-H562 VanDerWaalsContact CA-O 3.28Å; G536-H562 WeakPolarHBondContact CA-O 3.35Å; K537-H562 PolarHBondContact N-O 3.06Å; K537-H562 PolarHBondContact O-N 3.29Å; S539-H562 WeakPolarHBondContact CB-NE2 3.18Å; S539-H562 PolarHBondContact OG-CD2 3.14Å; S539-H562 VanDerWaalsContact OG-CD2 3.29Å; S539-H562 PolarHBondContact OG-NE2 3.34Å; H562-E577 IonicContact CE1-OE1 3.82Å; H562-E577 PolarHBondContact CE1-OE1 2.95Å; H562-E577 IonicContact ND1-OE1 2.84Å; H562-E577 PolarHBondContact ND1-OE1 2.97Å |
| 563 | V | 98 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.6 | 179.9 | 179.1 | 0 | 0 | 0 | 0 | 110 | I534 K535 L561 K575 L576 V618 | I534-V563 HydrophobicContact CG2-CG1 3.57Å; K535-V563 CarbonylContact O-C 3.53Å; K535-V563 VanDerWaalsContact O-CA 3.23Å; K535-V563 WeakPolarHBondContact O-CA 3.45Å; L561-V563 HydrophobicContact CD2-CG2 3.47Å; L561-V563 VanDerWaalsContact CD2-CG2 3.47Å; L561-V563 HydrophobicContact CG-CG2 3.73Å; V563-K575 WeakPolarHBondContact O-CA 3.14Å; V563-L576 HydrophobicContact CB-CD1 3.59Å; V563-L576 HydrophobicContact CB-CG 3.86Å; V563-L576 HydrophobicContact CG1-CD1 4.24Å; V563-L576 HydrophobicContact CG1-CG 4.29Å; V563-L576 HydrophobicContact CG2-CD1 3.81Å; V563-L576 PolarHBondContact N-O 3.42Å; V563-L576 PolarHBondContact O-N 3.01Å; V563-V618 HydrophobicContact CG1-CG2 4.24Å; V563-V618 HydrophobicContact CG2-CG1 4.32Å |
| 564 | D | 97.7 | Very high | 91.2 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.4 | 165.7 | -60.7 | -38.6 | 0 | 0 | 0 | 108.1 | K535 F566 V573 K575 | K535-D564 HydrophobicContact CB-CB 4.4Å; K535-D564 VanDerWaalsContact CE-OD2 3.23Å; K535-D564 WeakPolarHBondContact CE-OD2 3.41Å; K535-D564 PolarHBondContact N-O 3.32Å; K535-D564 IonicContact NZ-OD2 3.02Å; K535-D564 PolarHBondContact O-N 3.45Å; D564-F566 HydrophobicContact CB-CD2 4.35Å; D564-F566 HydrophobicContact CB-CE2 3.55Å; D564-F566 HydrophobicContact CB-CZ 3.88Å; D564-V573 HydrophobicContact CB-CG2 4.41Å; D564-K575 WeakPolarHBondContact OD1-CE 3.48Å; D564-K575 WeakPolarHBondContact OD1-CG 3.28Å |
| 565 | A | 97.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 104.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110 | I534 V573 Q574 I589 | I534-A565 HydrophobicContact CG1-CB 4.41Å; A565-V573 WeakPolarHBondContact O-CA 3.41Å; A565-Q574 HydrophobicContact CB-CB 4.37Å; A565-Q574 PolarHBondContact N-O 2.85Å; A565-Q574 PolarHBondContact O-N 2.84Å; A565-I589 HydrophobicContact CB-CD1 3.64Å; A565-I589 HydrophobicContact CB-CG1 3.87Å |
| 566 | F | 97.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 114 | 178.9 | -58.1 | -92.8 | 0 | 0 | 0 | 109.6 | P512 A532 I533 K535 D564 L568 V573 | P512-F566 HydrophobicContact CB-CD1 4.32Å; P512-F566 HydrophobicContact CB-CD2 3.96Å; P512-F566 HydrophobicContact CB-CE1 4.4Å; P512-F566 HydrophobicContact CB-CE2 4.04Å; P512-F566 HydrophobicContact CB-CG 4.1Å; P512-F566 HydrophobicContact CB-CZ 4.27Å; A532-F566 CarbonylContact C-O 3.57Å; A532-F566 WeakPolarHBondContact CA-O 3.48Å; A532-F566 VanDerWaalsContact CB-O 3.3Å; A532-F566 WeakPolarHBondContact CB-O 3.46Å; I533-F566 HydrophobicContact CB-CB 4.29Å; I533-F566 HydrophobicContact CB-CD2 4.35Å; I533-F566 HydrophobicContact CG2-CD2 4.18Å; I533-F566 PolarHBondContact N-O 3.12Å; I533-F566 PolarHBondContact O-N 3.1Å; K535-F566 HydrophobicContact CB-CE2 4.41Å; D564-F566 HydrophobicContact CB-CD2 4.35Å; D564-F566 HydrophobicContact CB-CE2 3.55Å; D564-F566 HydrophobicContact CB-CZ 3.88Å; F566-L568 HydrophobicContact CB-CD2 4.44Å; F566-L568 PolarHBondContact O-N 3.32Å; F566-V573 HydrophobicContact CD1-CB 4.06Å; F566-V573 HydrophobicContact CD1-CG2 3.82Å; F566-V573 HydrophobicContact CE1-CB 4.22Å; F566-V573 HydrophobicContact CE1-CG2 3.71Å; F566-V573 HydrophobicContact CG-CG2 4.32Å; F566-V573 HydrophobicContact CZ-CG2 4.12Å |
| 567 | N | 94.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 107.8 | 170.8 | -172.7 | -48.1 | 0 | 0 | 0 | 109.1 | L569 K570 N571 T572 | N567-L569 PolarHBondContact O-N 3.28Å; N567-L569 WeakPolarHBondContact OD1-CB 3.47Å; N567-L569 PolarHBondContact OD1-N 2.97Å; N567-K570 HydrophobicContact CB-CB 4.38Å; N567-K570 PolarHBondContact OD1-N 2.92Å; N567-N571 WeakPolarHBondContact O-CA 3.29Å; N567-N571 PolarHBondContact O-N 3.02Å; N567-T572 PolarHBondContact N-O 2.73Å; N567-T572 PolarHBondContact O-N 2.97Å |
| 568 | L | 92.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.5 | -174.7 | -58.4 | 177.4 | 0 | 0 | 0 | 113.4 | R4 L136 P137 D530 Y531 I533 F566 | R4-L568 PolarHBondContact NH1-O 3.02Å; L136-L568 HydrophobicContact CD2-CD1 4.49Å; P137-L568 HydrophobicContact CG-CD2 3.89Å; D530-L568 HydrophobicContact CB-CD1 3.52Å; Y531-L568 PolarHBondContact O-N 3.35Å; I533-L568 HydrophobicContact CD1-CD1 4.08Å; I533-L568 HydrophobicContact CD1-CD2 4.41Å; I533-L568 HydrophobicContact CG1-CD1 4.14Å; F566-L568 HydrophobicContact CB-CD2 4.44Å; F566-L568 PolarHBondContact O-N 3.32Å |
| 569 | L | 87.4 | Confident | 94.4 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -42.2 | 175.5 | -56.3 | -179 | 0 | 0 | 0 | 111.1 | Y531 N567 | Y531-L569 HydrophobicContact CD2-CD1 3.74Å; Y531-L569 HydrophobicContact CE2-CD1 3.8Å; N567-L569 PolarHBondContact O-N 3.28Å; N567-L569 WeakPolarHBondContact OD1-CB 3.47Å; N567-L569 PolarHBondContact OD1-N 2.97Å |
| 570 | K | 87.1 | Confident | 94.5 | Very high | 126 Ų | 126 | 49 Ų | 49 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9 | -179.5 | -61.2 | -179.1 | -177.9 | 174.9 | 0 | 112.7 | N567 T572 D591 | N567-K570 HydrophobicContact CB-CB 4.38Å; N567-K570 PolarHBondContact OD1-N 2.92Å; K570-T572 HydrophobicContact CB-CG2 4.12Å; K570-T572 PolarHBondContact O-N 3.04Å; K570-D591 IonicContact NZ-OD2 3.41Å |
| 571 | N | 87.8 | Confident | 94.2 | Very high | 133 Ų | 133 | 48.9 Ų | 48.9 | 71% | 0.711 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 43.2 | -171.7 | -63 | -34.8 | 0 | 0 | 0 | 112.3 | N567 | N567-N571 WeakPolarHBondContact O-CA 3.29Å; N567-N571 PolarHBondContact O-N 3.02Å |
| 572 | T | 92.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.9 | 179 | 59.2 | 0 | 0 | 0 | 0 | 111 | N567 K570 | N567-T572 PolarHBondContact N-O 2.73Å; N567-T572 PolarHBondContact O-N 2.97Å; K570-T572 HydrophobicContact CB-CG2 4.12Å; K570-T572 PolarHBondContact O-N 3.04Å |
| 573 | V | 96 | Very high | 93.3 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.8 | 173.1 | 64 | 0 | 0 | 0 | 0 | 109.4 | F510 D564 A565 F566 | F510-V573 HydrophobicContact CD1-CG1 4.02Å; D564-V573 HydrophobicContact CB-CG2 4.41Å; A565-V573 WeakPolarHBondContact O-CA 3.41Å; F566-V573 HydrophobicContact CD1-CB 4.06Å; F566-V573 HydrophobicContact CD1-CG2 3.82Å; F566-V573 HydrophobicContact CE1-CB 4.22Å; F566-V573 HydrophobicContact CE1-CG2 3.71Å; F566-V573 HydrophobicContact CG-CG2 4.32Å; F566-V573 HydrophobicContact CZ-CG2 4.12Å |
| 574 | Q | 96.6 | Very high | 93 | Very high | 60 Ų | 60 | 56.1 Ų | 56.1 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127 | 171.6 | -175.9 | -177.9 | 18.6 | 0 | 0 | 108.8 | A565 L588 | A565-Q574 HydrophobicContact CB-CB 4.37Å; A565-Q574 PolarHBondContact N-O 2.85Å; A565-Q574 PolarHBondContact O-N 2.84Å; Q574-L588 PolarHBondContact NE2-O 3.44Å |
| 575 | K | 96.4 | Very high | 92.9 | Very high | 136 Ų | 136 | 55.1 Ų | 55.1 | 59% | 0.591 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.3 | 175.9 | -58.5 | -167.8 | 173.4 | 179.5 | 0 | 109.8 | V563 D564 | V563-K575 WeakPolarHBondContact O-CA 3.14Å; D564-K575 WeakPolarHBondContact OD1-CE 3.48Å; D564-K575 WeakPolarHBondContact OD1-CG 3.28Å |
| 576 | L | 95.8 | Very high | 92.8 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.3 | 178.8 | 62.2 | 89.3 | 0 | 0 | 0 | 111.5 | V563 V578 F587 L588 I589 | V563-L576 HydrophobicContact CB-CD1 3.59Å; V563-L576 HydrophobicContact CB-CG 3.86Å; V563-L576 HydrophobicContact CG1-CD1 4.24Å; V563-L576 HydrophobicContact CG1-CG 4.29Å; V563-L576 HydrophobicContact CG2-CD1 3.81Å; V563-L576 PolarHBondContact N-O 3.42Å; V563-L576 PolarHBondContact O-N 3.01Å; L576-V578 HydrophobicContact CD1-CG2 3.36Å; L576-F587 HydrophobicContact CD1-CB 4.29Å; L576-L588 VanDerWaalsContact CD2-O 3.31Å; L576-L588 WeakPolarHBondContact CD2-O 3.19Å; L576-I589 HydrophobicContact CD2-CB 4.34Å |
| 577 | E | 96.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 57 Ų | 57 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.2 | 176.9 | -59.7 | -171.7 | 168.9 | 0 | 0 | 109.4 | R560 L561 H562 P579 S580 | R560-E577 WeakPolarHBondContact CD-OE2 3.24Å; R560-E577 IonicContact CZ-OE2 3.23Å; R560-E577 IonicContact NE-OE2 2.7Å; R560-E577 PolarHBondContact NE-OE2 3.27Å; R560-E577 IonicContact NH1-OE2 3.72Å; L561-E577 CarbonylContact O-C 3.42Å; L561-E577 WeakPolarHBondContact O-CA 3.42Å; H562-E577 IonicContact CE1-OE1 3.82Å; H562-E577 PolarHBondContact CE1-OE1 2.95Å; H562-E577 IonicContact ND1-OE1 2.84Å; H562-E577 PolarHBondContact ND1-OE1 2.97Å; E577-P579 CarbonylContact C-O 3.56Å; E577-P579 CarbonylContact O-C 3.46Å; E577-S580 PolarHBondContact O-N 2.86Å |
| 578 | V | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 116.3 | 179 | -165 | 0 | 0 | 0 | 0 | 110.9 | L561 L576 F587 L596 V618 | L561-V578 WeakPolarHBondContact CB-O 3.17Å; L561-V578 PolarHBondContact N-O 2.71Å; L561-V578 PolarHBondContact O-N 3.21Å; L576-V578 HydrophobicContact CD1-CG2 3.36Å; V578-F587 HydrophobicContact CG1-CD1 4.16Å; V578-F587 HydrophobicContact CG2-CB 3.87Å; V578-F587 HydrophobicContact CG2-CD1 4.25Å; V578-F587 HydrophobicContact CG2-CG 4.14Å; V578-L596 HydrophobicContact CG1-CD1 3.44Å; V578-L596 VanDerWaalsContact CG1-CD1 3.44Å; V578-L596 HydrophobicContact CG1-CG 3.93Å; V578-V618 HydrophobicContact CG2-CG1 4.14Å |
| 579 | P | 93.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | S | Bend | cis | -64 | 158 | -10.4 | -20.9 | 36.6 | 0 | 0 | 0 | 112.6 | E577 S584 A585 H641 W646 | E577-P579 CarbonylContact C-O 3.56Å; E577-P579 CarbonylContact O-C 3.46Å; P579-S584 CarbonylContact C-O 3.6Å; P579-S584 VanDerWaalsContact CA-O 3.24Å; P579-S584 WeakPolarHBondContact CA-O 3.4Å; P579-S584 WeakPolarHBondContact CB-O 3.33Å; P579-A585 HydrophobicContact CG-CB 4.47Å; P579-H641 VanDerWaalsContact CG-CE1 3.41Å; P579-H641 WeakPolarHBondContact CG-CE1 3.32Å; P579-W646 HydrophobicContact CG-CH2 4.45Å |
| 580 | S | 92.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -69.8 | 172.3 | 172.4 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | E577 D582 G583 S584 | E577-S580 PolarHBondContact O-N 2.86Å; S580-D582 WeakPolarHBondContact CB-OD1 3.49Å; S580-D582 PolarHBondContact O-N 2.88Å; S580-D582 VanDerWaalsContact O-N 3.14Å; S580-D582 PolarHBondContact OG-OD1 3.02Å; S580-G583 WeakPolarHBondContact O-CA 3.38Å; S580-G583 PolarHBondContact O-N 3.46Å; S580-S584 PolarHBondContact N-O 2.97Å; S580-S584 WeakPolarHBondContact OG-CB 3.25Å; S580-S584 PolarHBondContact OG-O 3.28Å; S580-S584 VanDerWaalsContact OG-O 3.05Å | ||
| 581 | A | 88.1 | Confident | 93.5 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G583 | A581-G583 VanDerWaalsContact C-N 3.26Å; A581-G583 PolarHBondContact O-N 3.34Å |
| 582 | D | 88.6 | Confident | 94 | Very high | 125 Ų | 125 | 47.9 Ų | 47.9 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1 | 173.8 | 68.4 | -15.8 | 0 | 0 | 0 | 113.6 | S580 S584 | S580-D582 WeakPolarHBondContact CB-OD1 3.49Å; S580-D582 PolarHBondContact O-N 2.88Å; S580-D582 VanDerWaalsContact O-N 3.14Å; S580-D582 PolarHBondContact OG-OD1 3.02Å; D582-S584 VanDerWaalsContact C-N 3.28Å; D582-S584 PolarHBondContact O-N 3.21Å; D582-S584 WeakPolarHBondContact OD1-CB 3.42Å; D582-S584 PolarHBondContact OD1-N 3.16Å; D582-S584 WeakPolarHBondContact OD2-CB 3.35Å |
| 583 | G | 86.4 | Confident | 94.2 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 81 | 1.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S580 A581 A585 | S580-G583 WeakPolarHBondContact O-CA 3.38Å; S580-G583 PolarHBondContact O-N 3.46Å; A581-G583 VanDerWaalsContact C-N 3.26Å; A581-G583 PolarHBondContact O-N 3.34Å; G583-A585 PolarHBondContact O-N 3.44Å |
| 584 | S | 92.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -69.8 | 129.2 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 111 | P579 S580 D582 L586 | P579-S584 CarbonylContact C-O 3.6Å; P579-S584 VanDerWaalsContact CA-O 3.24Å; P579-S584 WeakPolarHBondContact CA-O 3.4Å; P579-S584 WeakPolarHBondContact CB-O 3.33Å; S580-S584 PolarHBondContact N-O 2.97Å; S580-S584 WeakPolarHBondContact OG-CB 3.25Å; S580-S584 PolarHBondContact OG-O 3.28Å; S580-S584 VanDerWaalsContact OG-O 3.05Å; D582-S584 VanDerWaalsContact C-N 3.28Å; D582-S584 PolarHBondContact O-N 3.21Å; D582-S584 WeakPolarHBondContact OD1-CB 3.42Å; D582-S584 PolarHBondContact OD1-N 3.16Å; D582-S584 WeakPolarHBondContact OD2-CB 3.35Å; S584-L586 VanDerWaalsContact C-N 3.26Å; S584-L586 VanDerWaalsContact OG-CB 3.3Å; S584-L586 WeakPolarHBondContact OG-CB 3.48Å; S584-L586 PolarHBondContact OG-N 3.5Å | ||
| 585 | A | 94.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | trans | -92.8 | 19.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P579 G583 R595 L596 P597 W646 | P579-A585 HydrophobicContact CG-CB 4.47Å; G583-A585 PolarHBondContact O-N 3.44Å; A585-R595 WeakPolarHBondContact O-CA 3.23Å; A585-L596 HydrophobicContact CB-CB 4.13Å; A585-L596 HydrophobicContact CB-CD1 4.37Å; A585-L596 HydrophobicContact CB-CG 4.4Å; A585-L596 PolarHBondContact O-N 2.9Å; A585-P597 HydrophobicContact CB-CG 4.11Å; A585-W646 HydrophobicContact CB-CH2 4.32Å; A585-W646 HydrophobicContact CB-CZ3 4.47Å | ||
| 586 | L | 96.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.1 | 168.7 | 179.6 | 72 | 0 | 0 | 0 | 109.1 | S584 Q593 A594 R595 | S584-L586 VanDerWaalsContact C-N 3.26Å; S584-L586 VanDerWaalsContact OG-CB 3.3Å; S584-L586 WeakPolarHBondContact OG-CB 3.48Å; S584-L586 PolarHBondContact OG-N 3.5Å; L586-Q593 HydrophobicContact CD1-CG 3.57Å; L586-Q593 HydrophobicContact CG-CG 4.37Å; L586-A594 WeakPolarHBondContact CA-O 3.17Å; L586-R595 HydrophobicContact CB-CG 3.96Å; L586-R595 HydrophobicContact CD1-CG 3.39Å; L586-R595 HydrophobicContact CG-CG 4.3Å |
| 587 | F | 97.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.4 | 173.1 | 61 | -84.1 | 0 | 0 | 0 | 110.7 | L576 V578 I589 Q593 A594 L596 I615 V618 L648 | L576-F587 HydrophobicContact CD1-CB 4.29Å; V578-F587 HydrophobicContact CG1-CD1 4.16Å; V578-F587 HydrophobicContact CG2-CB 3.87Å; V578-F587 HydrophobicContact CG2-CD1 4.25Å; V578-F587 HydrophobicContact CG2-CG 4.14Å; F587-I589 HydrophobicContact CD2-CG2 4.45Å; F587-I589 HydrophobicContact CE2-CG2 4.42Å; F587-Q593 WeakPolarHBondContact O-CA 3.03Å; F587-A594 WeakPolarHBondContact CD1-O 3.32Å; F587-A594 HydrophobicContact CE1-CB 4.3Å; F587-A594 HydrophobicContact CE2-CB 4.5Å; F587-A594 HydrophobicContact CZ-CB 4.04Å; F587-A594 PolarHBondContact N-O 3.43Å; F587-A594 PolarHBondContact O-N 3.14Å; F587-L596 HydrophobicContact CE1-CD2 3.82Å; F587-L596 HydrophobicContact CE1-CG 4.05Å; F587-L596 HydrophobicContact CZ-CD2 4.44Å; F587-I615 HydrophobicContact CD2-CD1 4.25Å; F587-I615 HydrophobicContact CE2-CD1 3.56Å; F587-I615 HydrophobicContact CE2-CG2 4.35Å; F587-I615 HydrophobicContact CZ-CD1 4.2Å; F587-I615 HydrophobicContact CZ-CG2 4.05Å; F587-V618 HydrophobicContact CD1-CG1 4.43Å; F587-V618 HydrophobicContact CD2-CB 4.25Å; F587-V618 HydrophobicContact CD2-CG1 3.85Å; F587-V618 HydrophobicContact CD2-CG2 4.35Å; F587-V618 HydrophobicContact CE1-CG1 4.23Å; F587-V618 HydrophobicContact CE2-CB 3.64Å; F587-V618 HydrophobicContact CE2-CG1 3.59Å; F587-V618 HydrophobicContact CE2-CG2 4.03Å; F587-V618 HydrophobicContact CG-CG1 4.26Å; F587-V618 HydrophobicContact CZ-CB 4Å; F587-V618 HydrophobicContact CZ-CG1 3.79Å; F587-L648 HydrophobicContact CZ-CD2 4.29Å |
| 588 | L | 96.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 45% | 0.445 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.9 | 173.2 | 177.5 | 77.1 | 0 | 0 | 0 | 107 | Q574 L576 A592 Q593 | Q574-L588 PolarHBondContact NE2-O 3.44Å; L576-L588 VanDerWaalsContact CD2-O 3.31Å; L576-L588 WeakPolarHBondContact CD2-O 3.19Å; L588-A592 WeakPolarHBondContact CA-O 3.22Å; L588-A592 WeakPolarHBondContact CD1-O 3.41Å; L588-Q593 HydrophobicContact CD1-CB 3.96Å |
| 589 | I | 95.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 120.2 | 174.6 | -172.5 | 164.6 | 0 | 0 | 0 | 109.2 | I534 A565 L576 F587 D591 A592 Q611 I615 V618 | I534-I589 HydrophobicContact CD1-CD1 3.42Å; I534-I589 VanDerWaalsContact CD1-CD1 3.42Å; I534-I589 HydrophobicContact CG1-CD1 3.96Å; I534-I589 HydrophobicContact CG2-CD1 4.33Å; A565-I589 HydrophobicContact CB-CD1 3.64Å; A565-I589 HydrophobicContact CB-CG1 3.87Å; L576-I589 HydrophobicContact CD2-CB 4.34Å; F587-I589 HydrophobicContact CD2-CG2 4.45Å; F587-I589 HydrophobicContact CE2-CG2 4.42Å; I589-D591 PolarHBondContact O-N 3.06Å; I589-A592 PolarHBondContact N-O 3.46Å; I589-A592 PolarHBondContact O-N 3.08Å; I589-A592 VanDerWaalsContact O-O 3.14Å; I589-Q611 PolarHBondContact O-OE1 3.23Å; I589-Q611 VanDerWaalsContact O-OE1 3.14Å; I589-I615 HydrophobicContact CG2-CD1 3.54Å; I589-I615 HydrophobicContact CG2-CG1 4.32Å; I589-V618 HydrophobicContact CD1-CG2 3.58Å |
| 590 | G | 91.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -121.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 591 | D | 92.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 15.3 | -177.9 | -60.4 | -48.3 | 0 | 0 | 0 | 112.1 | K570 I589 R604 | K570-D591 IonicContact NZ-OD2 3.41Å; I589-D591 PolarHBondContact O-N 3.06Å; D591-R604 HydrophobicContact CB-CB 4.43Å; D591-R604 PolarHBondContact O-N 2.85Å |
| 592 | A | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L588 I589 E602 C603 Q611 I615 | L588-A592 WeakPolarHBondContact CA-O 3.22Å; L588-A592 WeakPolarHBondContact CD1-O 3.41Å; I589-A592 PolarHBondContact N-O 3.46Å; I589-A592 PolarHBondContact O-N 3.08Å; I589-A592 VanDerWaalsContact O-O 3.14Å; A592-E602 CarbonylContact C-O 3.5Å; A592-E602 WeakPolarHBondContact CA-O 3.45Å; A592-C603 HydrophobicContact CB-CB 4.46Å; A592-Q611 HydrophobicContact CB-CB 3.85Å; A592-Q611 HydrophobicContact CB-CG 4.36Å; A592-I615 HydrophobicContact CB-CD1 4.18Å; A592-I615 HydrophobicContact CB-CG1 4.13Å |
| 593 | Q | 97.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.1 | -177.4 | -177.5 | 177.5 | 68 | 0 | 0 | 110.6 | L586 F587 L588 I601 E602 | L586-Q593 HydrophobicContact CD1-CG 3.57Å; L586-Q593 HydrophobicContact CG-CG 4.37Å; F587-Q593 WeakPolarHBondContact O-CA 3.03Å; L588-Q593 HydrophobicContact CD1-CB 3.96Å; Q593-I601 WeakPolarHBondContact O-CA 3.37Å; Q593-E602 HydrophobicContact CB-CB 4.43Å; Q593-E602 PolarHBondContact N-O 3.29Å; Q593-E602 PolarHBondContact O-N 3.07Å |
| 594 | A | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 165.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L586 F587 I601 I615 L648 | L586-A594 WeakPolarHBondContact CA-O 3.17Å; F587-A594 WeakPolarHBondContact CD1-O 3.32Å; F587-A594 HydrophobicContact CE1-CB 4.3Å; F587-A594 HydrophobicContact CE2-CB 4.5Å; F587-A594 HydrophobicContact CZ-CB 4.04Å; F587-A594 PolarHBondContact N-O 3.43Å; F587-A594 PolarHBondContact O-N 3.14Å; A594-I601 HydrophobicContact CB-CG1 4.03Å; A594-I615 HydrophobicContact CB-CD1 3.73Å; A594-I615 HydrophobicContact CB-CG1 4.28Å; A594-I615 HydrophobicContact CB-CG2 3.56Å; A594-L648 HydrophobicContact CB-CD2 4.38Å |
| 595 | R | 97.4 | Very high | 95.6 | Very high | 131 Ų | 131 | 49 Ų | 49 | 49% | 0.494 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133 | 170.6 | -64.1 | 178.9 | 178.5 | -102.9 | 0.2 | 108.5 | A585 L586 P597 G598 | A585-R595 WeakPolarHBondContact O-CA 3.23Å; L586-R595 HydrophobicContact CB-CG 3.96Å; L586-R595 HydrophobicContact CD1-CG 3.39Å; L586-R595 HydrophobicContact CG-CG 4.3Å; R595-P597 VanDerWaalsContact C-N 3.31Å; R595-G598 WeakPolarHBondContact O-CA 3.32Å; R595-G598 PolarHBondContact O-N 2.95Å |
| 596 | L | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -42 | 174.9 | -61.7 | 175.4 | 0 | 0 | 0 | 112.7 | V578 A585 F587 G598 A619 F622 W646 L648 T649 | V578-L596 HydrophobicContact CG1-CD1 3.44Å; V578-L596 VanDerWaalsContact CG1-CD1 3.44Å; V578-L596 HydrophobicContact CG1-CG 3.93Å; A585-L596 HydrophobicContact CB-CB 4.13Å; A585-L596 HydrophobicContact CB-CD1 4.37Å; A585-L596 HydrophobicContact CB-CG 4.4Å; A585-L596 PolarHBondContact O-N 2.9Å; F587-L596 HydrophobicContact CE1-CD2 3.82Å; F587-L596 HydrophobicContact CE1-CG 4.05Å; F587-L596 HydrophobicContact CZ-CD2 4.44Å; L596-G598 VanDerWaalsContact C-N 3.25Å; L596-G598 PolarHBondContact O-N 3.26Å; L596-A619 HydrophobicContact CD2-CB 3.91Å; L596-F622 HydrophobicContact CD1-CB 4.46Å; L596-F622 HydrophobicContact CD1-CD1 4.16Å; L596-F622 HydrophobicContact CD1-CD2 3.51Å; L596-F622 HydrophobicContact CD1-CE1 4.29Å; L596-F622 HydrophobicContact CD1-CE2 3.65Å; L596-F622 HydrophobicContact CD1-CG 3.78Å; L596-F622 HydrophobicContact CD1-CZ 4.05Å; L596-W646 HydrophobicContact CB-CD2 4.32Å; L596-W646 HydrophobicContact CB-CE3 3.58Å; L596-W646 HydrophobicContact CB-CZ3 3.99Å; L596-W646 HydrophobicContact CD1-CE3 3.95Å; L596-W646 HydrophobicContact CD1-CZ3 3.63Å; L596-W646 HydrophobicContact CG-CE3 4.44Å; L596-W646 HydrophobicContact CG-CZ3 4.49Å; L596-L648 HydrophobicContact CD2-CD2 4.31Å; L596-L648 WeakPolarHBondContact O-CB 3.24Å; L596-L648 PolarHBondContact O-N 2.91Å; L596-T649 HydrophobicContact CB-CG2 4.41Å; L596-T649 HydrophobicContact CD2-CG2 4.29Å |
| 597 | P | 95.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 39% | 0.39 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -4.4 | 174.7 | -12.7 | 29.8 | 0 | 0 | 0 | 114.2 | A585 R595 W646 P647 | A585-P597 HydrophobicContact CB-CG 4.11Å; R595-P597 VanDerWaalsContact C-N 3.31Å; P597-W646 HydrophobicContact CB-CD2 4.44Å; P597-W646 HydrophobicContact CB-CG 3.98Å; P597-W646 HydrophobicContact CG-CD2 3.87Å; P597-W646 HydrophobicContact CG-CG 3.94Å; P597-W646 HydrophobicContact CG-CZ2 4.29Å; P597-P647 WeakPolarHBondContact O-CD 3.41Å |
| 598 | G | 94.2 | Very high | 95 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | trans | -90.2 | 167.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R595 L596 | R595-G598 WeakPolarHBondContact O-CA 3.32Å; R595-G598 PolarHBondContact O-N 2.95Å; L596-G598 VanDerWaalsContact C-N 3.25Å; L596-G598 PolarHBondContact O-N 3.26Å | ||
| 599 | K | 95.8 | Very high | 95 | Very high | 115 Ų | 115 | 45.1 Ų | 45.1 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -116 | 5.3 | 169 | -63 | -174.2 | 179.5 | -177.7 | 0 | 112.8 | Q408 L409 P647 | Q408-K599 CarbonylContact C-O 3.57Å; Q408-K599 WeakPolarHBondContact CA-O 3.24Å; L409-K599 HydrophobicContact CB-CB 4.39Å; L409-K599 WeakPolarHBondContact CB-O 3.38Å; L409-K599 PolarHBondContact N-O 2.93Å; K599-P647 HydrophobicContact CD-CG 4.45Å; K599-P647 HydrophobicContact CG-CB 3.73Å; K599-P647 HydrophobicContact CG-CG 3.76Å |
| 600 | R | 96.9 | Very high | 95 | Very high | 161 Ų | 161 | 45.3 Ų | 45.3 | 61% | 0.608 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.3 | -176.7 | -65.9 | -177.5 | -178.6 | -162.6 | 8.9 | 109.6 | E406 L407 | E406-R600 VanDerWaalsContact OE1-CD 3.31Å; E406-R600 WeakPolarHBondContact OE1-CD 3.34Å; E406-R600 IonicContact OE1-CZ 3.33Å; E406-R600 IonicContact OE1-NE 2.7Å; E406-R600 IonicContact OE1-NH1 3.9Å; E406-R600 PolarHBondContact OE1-NH1 3.02Å; L407-R600 WeakPolarHBondContact O-CA 3.33Å |
| 601 | I | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.5 | 172.8 | -59.9 | -178.8 | 0 | 0 | 0 | 107.2 | L407 M452 Q593 A594 I615 F616 | L407-I601 HydrophobicContact CB-CB 4.34Å; L407-I601 PolarHBondContact N-O 3.13Å; L407-I601 PolarHBondContact O-N 3.34Å; M452-I601 HydrophobicContact CE-CB 4.13Å; M452-I601 HydrophobicContact CE-CD1 3.53Å; M452-I601 HydrophobicContact CE-CG1 3.86Å; M452-I601 HydrophobicContact SD-CD1 4.22Å; Q593-I601 WeakPolarHBondContact O-CA 3.37Å; A594-I601 HydrophobicContact CB-CG1 4.03Å; I601-I615 HydrophobicContact CD1-CB 4.17Å; I601-I615 HydrophobicContact CD1-CG1 4.43Å; I601-I615 HydrophobicContact CD1-CG2 3.65Å; I601-I615 HydrophobicContact CG1-CG2 4.27Å; I601-I615 HydrophobicContact CG2-CG1 4.06Å; I601-F616 HydrophobicContact CD1-CE2 4.49Å |
| 602 | E | 97.2 | Very high | 95.6 | Very high | 71 Ų | 71 | 41 Ų | 41 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.4 | 169.1 | -65.3 | -178.5 | -161 | 0 | 0 | 108.5 | R405 A592 Q593 R604 | R405-E602 CarbonylContact O-C 3.54Å; R405-E602 WeakPolarHBondContact O-CA 3.31Å; A592-E602 CarbonylContact C-O 3.5Å; A592-E602 WeakPolarHBondContact CA-O 3.45Å; Q593-E602 HydrophobicContact CB-CB 4.43Å; Q593-E602 PolarHBondContact N-O 3.29Å; Q593-E602 PolarHBondContact O-N 3.07Å; E602-R604 IonicContact OE2-NH2 3.12Å |
| 603 | C | 95.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.8 | -178.2 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | N404 R405 A592 | N404-C603 CarbonylContact C-O 3.47Å; N404-C603 WeakPolarHBondContact CA-O 3.37Å; R405-C603 HydrophobicContact CB-CB 4.48Å; R405-C603 PolarHBondContact N-O 2.77Å; R405-C603 PolarHBondContact O-N 3.1Å; A592-C603 HydrophobicContact CB-CB 4.46Å |
| 604 | R | 92.8 | Very high | 95.7 | Very high | 144 Ų | 144 | 38.3 Ų | 38.3 | 54% | 0.543 | 17% | 0.174 | S | C | . | . | trans | -104.6 | 42 | -176.8 | -60.8 | -176 | -172.6 | 171.4 | 8.1 | 113.3 | L403 N404 D591 E602 | L403-R604 CarbonylContact O-C 3.57Å; L403-R604 WeakPolarHBondContact O-CA 3.39Å; N404-R604 WeakPolarHBondContact OD1-CG 3.24Å; D591-R604 HydrophobicContact CB-CB 4.43Å; D591-R604 PolarHBondContact O-N 2.85Å; E602-R604 IonicContact OE2-NH2 3.12Å | ||
| 605 | S | 91 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -144.1 | 147 | -173.6 | -164.3 | 0 | 0 | 0 | 0 | 112.2 | N607 T608 | S605-N607 VanDerWaalsContact C-N 3.26Å; S605-N607 PolarHBondContact OG-N 3.02Å; S605-T608 PolarHBondContact O-OG1 3.03Å |
| 606 | T | 90.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 32 Ų | 32 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -69.2 | -25 | 166.5 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | Q254 L256 I259 A375 V401 L403 T608 | Q254-T606 PolarHBondContact OE1-O 2.88Å; L256-T606 HydrophobicContact CD2-CG2 4.41Å; I259-T606 HydrophobicContact CD1-CG2 4.48Å; A375-T606 HydrophobicContact CB-CG2 3.94Å; V401-T606 HydrophobicContact CG1-CG2 4.4Å; V401-T606 WeakPolarHBondContact O-CG2 3.38Å; L403-T606 HydrophobicContact CG-CG2 4.06Å; T606-T608 PolarHBondContact O-N 3.16Å |
| 607 | N | 92.2 | Very high | 95.9 | Very high | 55 Ų | 55 | 32 Ų | 32 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | trans | -79.8 | 54.4 | 172.6 | -62.7 | -42.5 | 0 | 0 | 0 | 111 | Y531 S605 A609 E610 Q611 | Y531-N607 HydrophobicContact CE2-CB 4.17Å; S605-N607 VanDerWaalsContact C-N 3.26Å; S605-N607 PolarHBondContact OG-N 3.02Å; N607-A609 VanDerWaalsContact C-N 3.29Å; N607-A609 PolarHBondContact O-N 2.9Å; N607-E610 VanDerWaalsContact CA-OE2 3.3Å; N607-E610 WeakPolarHBondContact CA-OE2 3.28Å; N607-E610 HydrophobicContact CB-CB 4.42Å; N607-E610 WeakPolarHBondContact CB-OE2 3.27Å; N607-E610 PolarHBondContact O-N 3.43Å; N607-Q611 VanDerWaalsContact O-CG 3.27Å; N607-Q611 WeakPolarHBondContact O-CG 3.23Å; N607-Q611 PolarHBondContact O-N 2.82Å; N607-Q611 VanDerWaalsContact O-N 3.15Å | ||
| 608 | T | 94.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -37.4 | -171 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | L407 Y461 S605 T606 Q611 I612 | L407-T608 HydrophobicContact CD1-CG2 4.03Å; Y461-T608 HydrophobicContact CD2-CG2 4.4Å; Y461-T608 HydrophobicContact CE1-CG2 4.2Å; Y461-T608 HydrophobicContact CE2-CG2 3.71Å; S605-T608 PolarHBondContact O-OG1 3.03Å; T606-T608 PolarHBondContact O-N 3.16Å; T608-Q611 PolarHBondContact O-N 2.7Å; T608-I612 HydrophobicContact CG2-CD1 3.9Å; T608-I612 HydrophobicContact CG2-CG1 4.36Å; T608-I612 VanDerWaalsContact O-CG1 3.27Å; T608-I612 WeakPolarHBondContact O-CG1 3.35Å; T608-I612 PolarHBondContact O-N 3.34Å |
| 609 | A | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V478 L486 N607 Q611 I612 A613 | V478-A609 HydrophobicContact CB-CB 4.22Å; V478-A609 HydrophobicContact CG1-CB 3.79Å; L486-A609 HydrophobicContact CB-CB 3.61Å; L486-A609 HydrophobicContact CD1-CB 4.12Å; N607-A609 VanDerWaalsContact C-N 3.29Å; N607-A609 PolarHBondContact O-N 2.9Å; A609-Q611 VanDerWaalsContact C-N 3.35Å; A609-I612 PolarHBondContact O-N 3.18Å; A609-A613 WeakPolarHBondContact O-CB 3.17Å; A609-A613 PolarHBondContact O-N 3.41Å |
| 610 | E | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.047 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.9 | -35.7 | 178.7 | -62.1 | 81.7 | 173.4 | 0 | 0 | 111.6 | I524 N526 Y531 N607 A613 S614 | I524-E610 HydrophobicContact CG2-CB 4.36Å; N526-E610 HydrophobicContact CB-CG 4.29Å; N526-E610 WeakPolarHBondContact CB-OE1 3.23Å; N526-E610 PolarHBondContact ND2-OE1 2.85Å; Y531-E610 HydrophobicContact CD1-CB 3.69Å; Y531-E610 HydrophobicContact CD1-CG 4.17Å; Y531-E610 HydrophobicContact CD2-CB 4.05Å; Y531-E610 HydrophobicContact CD2-CG 3.82Å; Y531-E610 HydrophobicContact CE1-CB 3.68Å; Y531-E610 HydrophobicContact CE1-CG 4.49Å; Y531-E610 HydrophobicContact CE2-CB 4.04Å; Y531-E610 HydrophobicContact CE2-CG 4.16Å; Y531-E610 HydrophobicContact CG-CB 3.88Å; Y531-E610 HydrophobicContact CG-CG 3.82Å; N607-E610 VanDerWaalsContact CA-OE2 3.3Å; N607-E610 WeakPolarHBondContact CA-OE2 3.28Å; N607-E610 HydrophobicContact CB-CB 4.42Å; N607-E610 WeakPolarHBondContact CB-OE2 3.27Å; N607-E610 PolarHBondContact O-N 3.43Å; E610-A613 PolarHBondContact O-N 2.82Å; E610-S614 WeakPolarHBondContact O-CB 3.18Å; E610-S614 PolarHBondContact O-N 3.35Å; E610-S614 PolarHBondContact O-OG 2.92Å |
| 611 | Q | 96.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.1 | -41.8 | 174.5 | -69.2 | -60.7 | -34.3 | 0 | 0 | 111.9 | Y531 I589 A592 N607 T608 A609 A613 S614 I615 | Y531-Q611 PolarHBondContact OH-NE2 2.97Å; I589-Q611 PolarHBondContact O-OE1 3.23Å; I589-Q611 VanDerWaalsContact O-OE1 3.14Å; A592-Q611 HydrophobicContact CB-CB 3.85Å; A592-Q611 HydrophobicContact CB-CG 4.36Å; N607-Q611 VanDerWaalsContact O-CG 3.27Å; N607-Q611 WeakPolarHBondContact O-CG 3.23Å; N607-Q611 PolarHBondContact O-N 2.82Å; N607-Q611 VanDerWaalsContact O-N 3.15Å; T608-Q611 PolarHBondContact O-N 2.7Å; A609-Q611 VanDerWaalsContact C-N 3.35Å; Q611-A613 VanDerWaalsContact C-N 3.34Å; Q611-A613 PolarHBondContact O-N 3.33Å; Q611-S614 WeakPolarHBondContact O-CB 3.35Å; Q611-S614 PolarHBondContact O-N 3.07Å; Q611-I615 WeakPolarHBondContact O-CG1 3.46Å; Q611-I615 PolarHBondContact O-N 2.78Å |
| 612 | I | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 170.4 | -69 | 166.1 | 0 | 0 | 0 | 109.9 | L407 M452 Y461 V463 V478 T608 A609 S614 I615 F616 | L407-I612 HydrophobicContact CD1-CD1 3.68Å; L407-I612 HydrophobicContact CD1-CG1 3.76Å; M452-I612 HydrophobicContact CB-CD1 4.37Å; M452-I612 HydrophobicContact CG-CD1 4.43Å; M452-I612 HydrophobicContact CG-CG2 4.29Å; Y461-I612 HydrophobicContact CD1-CD1 4.22Å; Y461-I612 HydrophobicContact CD2-CD1 3.93Å; Y461-I612 HydrophobicContact CG-CD1 3.75Å; V463-I612 HydrophobicContact CG2-CG2 3.45Å; V463-I612 VanDerWaalsContact CG2-CG2 3.45Å; V478-I612 HydrophobicContact CG1-CB 4.43Å; V478-I612 HydrophobicContact CG1-CD1 4.4Å; V478-I612 HydrophobicContact CG1-CG2 4.32Å; V478-I612 HydrophobicContact CG2-CG2 4.2Å; T608-I612 HydrophobicContact CG2-CD1 3.9Å; T608-I612 HydrophobicContact CG2-CG1 4.36Å; T608-I612 VanDerWaalsContact O-CG1 3.27Å; T608-I612 WeakPolarHBondContact O-CG1 3.35Å; T608-I612 PolarHBondContact O-N 3.34Å; A609-I612 PolarHBondContact O-N 3.18Å; I612-S614 VanDerWaalsContact C-N 3.26Å; I612-S614 PolarHBondContact O-N 3.3Å; I612-I615 PolarHBondContact O-N 2.87Å; I612-F616 HydrophobicContact CG2-CD2 3.92Å; I612-F616 HydrophobicContact CG2-CE2 4.07Å; I612-F616 WeakPolarHBondContact O-CD2 3.43Å; I612-F616 PolarHBondContact O-N 2.82Å |
| 613 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V478 A489 I524 A609 E610 Q611 F616 C617 | V478-A613 HydrophobicContact CG2-CB 3.99Å; A489-A613 HydrophobicContact CB-CB 4.4Å; I524-A613 HydrophobicContact CG2-CB 4.1Å; A609-A613 WeakPolarHBondContact O-CB 3.17Å; A609-A613 PolarHBondContact O-N 3.41Å; E610-A613 PolarHBondContact O-N 2.82Å; Q611-A613 VanDerWaalsContact C-N 3.34Å; Q611-A613 PolarHBondContact O-N 3.33Å; A613-F616 PolarHBondContact O-N 3.16Å; A613-C617 WeakPolarHBondContact O-CB 3.28Å; A613-C617 PolarHBondContact O-N 2.87Å; A613-C617 PolarHBondContact O-SG 3.1Å |
| 614 | S | 98.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 3% | 0.028 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | I524 E610 Q611 I612 C617 V618 | I524-S614 WeakPolarHBondContact CD1-OG 3.4Å; E610-S614 WeakPolarHBondContact O-CB 3.18Å; E610-S614 PolarHBondContact O-N 3.35Å; E610-S614 PolarHBondContact O-OG 2.92Å; Q611-S614 WeakPolarHBondContact O-CB 3.35Å; Q611-S614 PolarHBondContact O-N 3.07Å; I612-S614 VanDerWaalsContact C-N 3.26Å; I612-S614 PolarHBondContact O-N 3.3Å; S614-C617 WeakPolarHBondContact O-CB 3.26Å; S614-C617 PolarHBondContact O-N 2.89Å; S614-V618 PolarHBondContact O-N 3.26Å; S614-V618 VanDerWaalsContact O-N 3.12Å |
| 615 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.7 | -64.4 | -63.3 | 0 | 0 | 0 | 111.2 | F587 I589 A592 A594 I601 Q611 I612 C617 V618 A619 L648 | F587-I615 HydrophobicContact CD2-CD1 4.25Å; F587-I615 HydrophobicContact CE2-CD1 3.56Å; F587-I615 HydrophobicContact CE2-CG2 4.35Å; F587-I615 HydrophobicContact CZ-CD1 4.2Å; F587-I615 HydrophobicContact CZ-CG2 4.05Å; I589-I615 HydrophobicContact CG2-CD1 3.54Å; I589-I615 HydrophobicContact CG2-CG1 4.32Å; A592-I615 HydrophobicContact CB-CD1 4.18Å; A592-I615 HydrophobicContact CB-CG1 4.13Å; A594-I615 HydrophobicContact CB-CD1 3.73Å; A594-I615 HydrophobicContact CB-CG1 4.28Å; A594-I615 HydrophobicContact CB-CG2 3.56Å; I601-I615 HydrophobicContact CD1-CB 4.17Å; I601-I615 HydrophobicContact CD1-CG1 4.43Å; I601-I615 HydrophobicContact CD1-CG2 3.65Å; I601-I615 HydrophobicContact CG1-CG2 4.27Å; I601-I615 HydrophobicContact CG2-CG1 4.06Å; Q611-I615 WeakPolarHBondContact O-CG1 3.46Å; Q611-I615 PolarHBondContact O-N 2.78Å; I612-I615 PolarHBondContact O-N 2.87Å; I615-C617 VanDerWaalsContact C-N 3.32Å; I615-C617 PolarHBondContact O-N 3.17Å; I615-V618 PolarHBondContact O-N 2.73Å; I615-A619 PolarHBondContact O-N 3.16Å; I615-L648 HydrophobicContact CG2-CD2 3.77Å |
| 616 | F | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -66.5 | -32.2 | 178.2 | -87.9 | -98 | 0 | 0 | 0 | 112.3 | L409 H450 M452 V463 V465 I476 I601 I612 A613 A619 T620 L648 A651 | L409-F616 HydrophobicContact CD1-CZ 4.03Å; H450-F616 AromaticContact CD2-CE1 3.82Å; M452-F616 HydrophobicContact SD-CE2 4.17Å; M452-F616 HydrophobicContact SD-CZ 4.49Å; V463-F616 HydrophobicContact CB-CE2 4.3Å; V463-F616 HydrophobicContact CB-CZ 4.15Å; V463-F616 HydrophobicContact CG1-CD1 3.93Å; V463-F616 HydrophobicContact CG1-CD2 4.01Å; V463-F616 HydrophobicContact CG1-CE1 3.84Å; V463-F616 HydrophobicContact CG1-CE2 3.92Å; V463-F616 HydrophobicContact CG1-CG 4.01Å; V463-F616 HydrophobicContact CG1-CZ 3.82Å; V463-F616 HydrophobicContact CG2-CE2 4.09Å; V463-F616 HydrophobicContact CG2-CZ 4.38Å; V465-F616 HydrophobicContact CG2-CD1 3.62Å; V465-F616 HydrophobicContact CG2-CE1 3.81Å; I476-F616 HydrophobicContact CD1-CB 3.79Å; I476-F616 HydrophobicContact CG1-CB 4.28Å; I476-F616 HydrophobicContact CG2-CB 4.01Å; I601-F616 HydrophobicContact CD1-CE2 4.49Å; I612-F616 HydrophobicContact CG2-CD2 3.92Å; I612-F616 HydrophobicContact CG2-CE2 4.07Å; I612-F616 WeakPolarHBondContact O-CD2 3.43Å; I612-F616 PolarHBondContact O-N 2.82Å; A613-F616 PolarHBondContact O-N 3.16Å; F616-A619 PolarHBondContact O-N 3.18Å; F616-T620 WeakPolarHBondContact O-CB 3.36Å; F616-T620 PolarHBondContact O-N 3.13Å; F616-T620 PolarHBondContact O-OG1 2.7Å; F616-L648 HydrophobicContact CE1-CD1 4.46Å; F616-L648 HydrophobicContact CE2-CD1 4.32Å; F616-L648 HydrophobicContact CZ-CD1 4.22Å; F616-A651 HydrophobicContact CE1-CB 4.22Å |
| 617 | C | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63 | -48 | 173 | -73.7 | 0 | 0 | 0 | 0 | 111.4 | I476 A489 F522 I534 A613 S614 I615 A619 T620 L621 | I476-C617 HydrophobicContact CD1-CB 4.47Å; A489-C617 WeakPolarHBondContact CB-SG 3.4Å; F522-C617 HydrophobicContact CB-CB 4.27Å; F522-C617 HydrophobicContact CD2-CB 4.41Å; F522-C617 HydrophobicContact CG-CB 4.28Å; I534-C617 HydrophobicContact CB-CB 4.29Å; I534-C617 HydrophobicContact CD1-CB 3.63Å; I534-C617 HydrophobicContact CG2-CB 4.44Å; A613-C617 WeakPolarHBondContact O-CB 3.28Å; A613-C617 PolarHBondContact O-N 2.87Å; A613-C617 PolarHBondContact O-SG 3.1Å; S614-C617 WeakPolarHBondContact O-CB 3.26Å; S614-C617 PolarHBondContact O-N 2.89Å; I615-C617 VanDerWaalsContact C-N 3.32Å; I615-C617 PolarHBondContact O-N 3.17Å; C617-A619 VanDerWaalsContact C-N 3.34Å; C617-A619 PolarHBondContact O-N 3.26Å; C617-T620 PolarHBondContact O-N 3.08Å; C617-L621 WeakPolarHBondContact O-CB 3.48Å; C617-L621 VanDerWaalsContact O-CG 3.24Å; C617-L621 WeakPolarHBondContact O-CG 3.4Å; C617-L621 PolarHBondContact O-N 3.49Å |
| 618 | V | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I534 V563 V578 F587 I589 S614 I615 L621 F622 | I534-V618 HydrophobicContact CG2-CG2 4.13Å; V563-V618 HydrophobicContact CG1-CG2 4.24Å; V563-V618 HydrophobicContact CG2-CG1 4.32Å; V578-V618 HydrophobicContact CG2-CG1 4.14Å; F587-V618 HydrophobicContact CD1-CG1 4.43Å; F587-V618 HydrophobicContact CD2-CB 4.25Å; F587-V618 HydrophobicContact CD2-CG1 3.85Å; F587-V618 HydrophobicContact CD2-CG2 4.35Å; F587-V618 HydrophobicContact CE1-CG1 4.23Å; F587-V618 HydrophobicContact CE2-CB 3.64Å; F587-V618 HydrophobicContact CE2-CG1 3.59Å; F587-V618 HydrophobicContact CE2-CG2 4.03Å; F587-V618 HydrophobicContact CG-CG1 4.26Å; F587-V618 HydrophobicContact CZ-CB 4Å; F587-V618 HydrophobicContact CZ-CG1 3.79Å; I589-V618 HydrophobicContact CD1-CG2 3.58Å; S614-V618 PolarHBondContact O-N 3.26Å; S614-V618 VanDerWaalsContact O-N 3.12Å; I615-V618 PolarHBondContact O-N 2.73Å; V618-L621 PolarHBondContact O-N 2.85Å; V618-F622 PolarHBondContact O-N 3.35Å |
| 619 | A | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L596 I615 F616 C617 F622 V623 L648 C652 | L596-A619 HydrophobicContact CD2-CB 3.91Å; I615-A619 PolarHBondContact O-N 3.16Å; F616-A619 PolarHBondContact O-N 3.18Å; C617-A619 VanDerWaalsContact C-N 3.34Å; C617-A619 PolarHBondContact O-N 3.26Å; A619-F622 WeakPolarHBondContact O-CB 3.1Å; A619-F622 PolarHBondContact O-N 3.27Å; A619-V623 WeakPolarHBondContact O-CG2 3.21Å; A619-V623 PolarHBondContact O-N 2.92Å; A619-L648 HydrophobicContact CB-CD2 3.76Å; A619-L648 HydrophobicContact CB-CG 3.62Å; A619-C652 WeakPolarHBondContact CB-SG 3.29Å |
| 620 | T | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111 | F522 F616 C617 F622 V623 L624 C652 | F522-T620 HydrophobicContact CE2-CG2 4.02Å; F522-T620 HydrophobicContact CZ-CG2 3.72Å; F616-T620 WeakPolarHBondContact O-CB 3.36Å; F616-T620 PolarHBondContact O-N 3.13Å; F616-T620 PolarHBondContact O-OG1 2.7Å; C617-T620 PolarHBondContact O-N 3.08Å; T620-F622 VanDerWaalsContact C-N 3.26Å; T620-F622 PolarHBondContact O-N 3.49Å; T620-V623 CarbonylContact O-C 3.09Å; T620-V623 WeakPolarHBondContact O-CA 3.36Å; T620-V623 WeakPolarHBondContact O-CB 3.49Å; T620-V623 PolarHBondContact O-N 2.83Å; T620-L624 HydrophobicContact CG2-CD1 3.83Å; T620-L624 HydrophobicContact CG2-CG 4.01Å; T620-L624 WeakPolarHBondContact O-CG 3.41Å; T620-L624 PolarHBondContact O-N 2.87Å; T620-C652 PolarHBondContact OG1-SG 3.05Å |
| 621 | L | 97.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 173.9 | -73.9 | 167.4 | 0 | 0 | 0 | 111.9 | R520 F522 I534 L561 C617 V618 V623 L624 C625 | R520-L621 HydrophobicContact CB-CD2 3.5Å; R520-L621 WeakPolarHBondContact O-CD2 3.41Å; F522-L621 HydrophobicContact CD2-CD1 4.31Å; F522-L621 HydrophobicContact CD2-CD2 3.96Å; F522-L621 HydrophobicContact CD2-CG 3.91Å; F522-L621 HydrophobicContact CE2-CD2 4.08Å; F522-L621 HydrophobicContact CE2-CG 4.08Å; I534-L621 HydrophobicContact CB-CD1 4.36Å; I534-L621 HydrophobicContact CG2-CD1 3.61Å; L561-L621 HydrophobicContact CD1-CB 4.47Å; L561-L621 HydrophobicContact CD2-CB 4.07Å; C617-L621 WeakPolarHBondContact O-CB 3.48Å; C617-L621 VanDerWaalsContact O-CG 3.24Å; C617-L621 WeakPolarHBondContact O-CG 3.4Å; C617-L621 PolarHBondContact O-N 3.49Å; V618-L621 PolarHBondContact O-N 2.85Å; L621-V623 PolarHBondContact O-N 2.86Å; L621-L624 PolarHBondContact O-N 2.8Å; L621-C625 VanDerWaalsContact O-CB 3.26Å; L621-C625 WeakPolarHBondContact O-CB 3.38Å; L621-C625 PolarHBondContact O-N 3.24Å; L621-C625 PolarHBondContact O-SG 3.05Å |
| 622 | F | 95.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 171.5 | -174.6 | -84.2 | 0 | 0 | 0 | 111.3 | W538 L561 L596 V618 A619 T620 N626 H641 A643 W646 T649 | W538-F622 HydrophobicContact CH2-CD2 4.14Å; W538-F622 HydrophobicContact CH2-CE1 4.47Å; W538-F622 AromaticContact CH2-CE2 3.59Å; W538-F622 HydrophobicContact CH2-CE2 3.59Å; W538-F622 AromaticContact CH2-CZ 3.78Å; W538-F622 HydrophobicContact CH2-CZ 3.78Å; W538-F622 AromaticContact CZ3-CD2 3.75Å; W538-F622 HydrophobicContact CZ3-CD2 3.75Å; W538-F622 AromaticContact CZ3-CE2 3.7Å; W538-F622 HydrophobicContact CZ3-CE2 3.7Å; W538-F622 HydrophobicContact CZ3-CG 4.27Å; W538-F622 HydrophobicContact CZ3-CZ 4.17Å; L561-F622 HydrophobicContact CB-CD2 4.2Å; L561-F622 HydrophobicContact CD2-CB 4.03Å; L596-F622 HydrophobicContact CD1-CB 4.46Å; L596-F622 HydrophobicContact CD1-CD1 4.16Å; L596-F622 HydrophobicContact CD1-CD2 3.51Å; L596-F622 HydrophobicContact CD1-CE1 4.29Å; L596-F622 HydrophobicContact CD1-CE2 3.65Å; L596-F622 HydrophobicContact CD1-CG 3.78Å; L596-F622 HydrophobicContact CD1-CZ 4.05Å; V618-F622 PolarHBondContact O-N 3.35Å; A619-F622 WeakPolarHBondContact O-CB 3.1Å; A619-F622 PolarHBondContact O-N 3.27Å; T620-F622 VanDerWaalsContact C-N 3.26Å; T620-F622 PolarHBondContact O-N 3.49Å; F622-N626 WeakPolarHBondContact O-CB 3.11Å; F622-H641 HydrophobicContact CZ-CB 4.2Å; F622-H641 AromaticContact CZ-CD2 3.66Å; F622-A643 HydrophobicContact CE1-CB 3.96Å; F622-W646 HydrophobicContact CE1-CE3 4.35Å; F622-W646 AromaticContact CE1-CZ3 3.99Å; F622-W646 HydrophobicContact CE1-CZ3 3.99Å; F622-W646 HydrophobicContact CE2-CZ3 4.25Å; F622-W646 HydrophobicContact CZ-CE3 4.39Å; F622-W646 HydrophobicContact CZ-CH2 4.38Å; F622-W646 AromaticContact CZ-CZ3 3.59Å; F622-W646 HydrophobicContact CZ-CZ3 3.59Å; F622-T649 HydrophobicContact CD1-CG2 3.69Å; F622-T649 HydrophobicContact CE1-CG2 4.03Å |
| 623 | V | 92.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -75 | -44.2 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | A619 T620 L621 T649 C652 Y654 L658 | A619-V623 WeakPolarHBondContact O-CG2 3.21Å; A619-V623 PolarHBondContact O-N 2.92Å; T620-V623 CarbonylContact O-C 3.09Å; T620-V623 WeakPolarHBondContact O-CA 3.36Å; T620-V623 WeakPolarHBondContact O-CB 3.49Å; T620-V623 PolarHBondContact O-N 2.83Å; L621-V623 PolarHBondContact O-N 2.86Å; V623-T649 HydrophobicContact CG2-CG2 4.48Å; V623-C652 HydrophobicContact CG2-CB 4.19Å; V623-Y654 HydrophobicContact CG1-CD2 4.3Å; V623-Y654 HydrophobicContact CG2-CD2 4.26Å; V623-L658 HydrophobicContact CB-CD1 4.45Å; V623-L658 HydrophobicContact CG1-CD1 3.28Å |
| 624 | L | 92.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72 | -37 | -173.8 | -65.9 | -179.1 | 0 | 0 | 0 | 113.7 | L491 F522 T620 L621 L658 P659 T660 N661 | L491-L624 HydrophobicContact CD1-CD1 4.07Å; L491-L624 HydrophobicContact CD2-CD1 4.14Å; F522-L624 HydrophobicContact CE2-CD1 4.12Å; F522-L624 HydrophobicContact CZ-CD1 4.3Å; T620-L624 HydrophobicContact CG2-CD1 3.83Å; T620-L624 HydrophobicContact CG2-CG 4.01Å; T620-L624 WeakPolarHBondContact O-CG 3.41Å; T620-L624 PolarHBondContact O-N 2.87Å; L621-L624 PolarHBondContact O-N 2.8Å; L624-L658 HydrophobicContact CD2-CB 4.01Å; L624-L658 HydrophobicContact CD2-CD1 4.43Å; L624-P659 HydrophobicContact CD2-CG 4.21Å; L624-T660 HydrophobicContact CD2-CG2 4.49Å; L624-T660 WeakPolarHBondContact O-CA 3.48Å; L624-N661 PolarHBondContact O-N 2.93Å |
| 625 | C | 92.3 | Very high | 78.7 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.2 | -17.6 | -176.3 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | W538 L561 L621 P627 | W538-C625 HydrophobicContact CB-CB 4.25Å; W538-C625 VanDerWaalsContact CB-O 3.3Å; W538-C625 WeakPolarHBondContact CB-O 3.48Å; L561-C625 HydrophobicContact CD1-CB 3.82Å; L621-C625 VanDerWaalsContact O-CB 3.26Å; L621-C625 WeakPolarHBondContact O-CB 3.38Å; L621-C625 PolarHBondContact O-N 3.24Å; L621-C625 PolarHBondContact O-SG 3.05Å; C625-P627 WeakPolarHBondContact O-CD 3.42Å |
| 626 | N | 88.9 | Confident | 76.2 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -67 | 120.7 | -175.9 | -178.6 | -11.7 | 0 | 0 | 0 | 110.9 | W538 F622 D628 | W538-N626 HydrophobicContact CD2-CB 4.42Å; W538-N626 HydrophobicContact CE3-CB 3.96Å; W538-N626 HydrophobicContact CH2-CB 3.97Å; W538-N626 HydrophobicContact CZ2-CB 4.43Å; W538-N626 HydrophobicContact CZ3-CB 3.71Å; F622-N626 WeakPolarHBondContact O-CB 3.11Å; N626-D628 VanDerWaalsContact C-N 3.27Å; N626-D628 PolarHBondContact O-N 3.08Å; N626-D628 VanDerWaalsContact OD1-CB 3.26Å; N626-D628 WeakPolarHBondContact OD1-CB 3.35Å; N626-D628 PolarHBondContact OD1-N 3.22Å | ||
| 627 | P | 80.6 | Confident | 73.8 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | trans | -79.2 | -7 | -176.7 | 33.6 | -37.7 | 0 | 0 | 0 | 113.5 | W538 F541 C625 | W538-P627 HydrophobicContact CG-CG 4.15Å; F541-P627 HydrophobicContact CB-CG 3.59Å; F541-P627 HydrophobicContact CD1-CB 4.13Å; F541-P627 HydrophobicContact CD1-CG 3.65Å; F541-P627 HydrophobicContact CD2-CG 3.97Å; F541-P627 HydrophobicContact CE1-CB 4.46Å; F541-P627 HydrophobicContact CE1-CG 4.28Å; F541-P627 HydrophobicContact CG-CB 4.42Å; F541-P627 HydrophobicContact CG-CG 3.47Å; F541-P627 VanDerWaalsContact CG-CG 3.47Å; C625-P627 WeakPolarHBondContact O-CD 3.42Å | ||
| 628 | D | 72.2 | Confident | 71.7 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -65 | 147.2 | 179.8 | -163 | 13.4 | 0 | 0 | 0 | 111.3 | F541 N626 I630 G640 | F541-D628 HydrophobicContact CE2-CB 4.24Å; N626-D628 VanDerWaalsContact C-N 3.27Å; N626-D628 PolarHBondContact O-N 3.08Å; N626-D628 VanDerWaalsContact OD1-CB 3.26Å; N626-D628 WeakPolarHBondContact OD1-CB 3.35Å; N626-D628 PolarHBondContact OD1-N 3.22Å; D628-I630 PolarHBondContact O-N 3.09Å; D628-I630 VanDerWaalsContact O-N 3.16Å; D628-G640 WeakPolarHBondContact OD2-CA 3.43Å |
| 629 | K | 60.8 | Low | 69.8 | Low | 73 Ų | 73 | 57.9 Ų | 57.9 | 32% | 0.317 | 31% | 0.31 | S | S | . | . | trans | -70.2 | 119 | -179.9 | -70.2 | -172.9 | 169.9 | -176.9 | 0 | 107.9 | R631 | K629-R631 HydrophobicContact CB-CG 3.69Å; K629-R631 WeakPolarHBondContact O-CB 3.44Å; K629-R631 WeakPolarHBondContact O-CG 3.41Å; K629-R631 PolarHBondContact O-N 3.46Å | ||
| 630 | I | 54.3 | Low | 68.3 | Low | 68 Ų | 68 | 58.8 Ų | 58.8 | 35% | 0.349 | 32% | 0.32 | S | S | . | . | trans | -47.9 | 104.2 | 157.9 | -64.5 | 168.8 | 0 | 0 | 0 | 106.9 | D628 T660 | D628-I630 PolarHBondContact O-N 3.09Å; D628-I630 VanDerWaalsContact O-N 3.16Å; I630-T660 HydrophobicContact CD1-CG2 4.47Å | ||
| 631 | R | 53.9 | Low | 67.3 | Low | 111 Ų | 111 | 60.4 Ų | 60.4 | 42% | 0.419 | 33% | 0.328 | S | S | . | . | trans | -130.3 | 138.5 | -173.4 | -85.1 | 175.9 | 166.9 | -174 | -1.3 | 110.3 | K629 D635 T637 | K629-R631 HydrophobicContact CB-CG 3.69Å; K629-R631 WeakPolarHBondContact O-CB 3.44Å; K629-R631 WeakPolarHBondContact O-CG 3.41Å; K629-R631 PolarHBondContact O-N 3.46Å; R631-D635 WeakPolarHBondContact CD-OD2 3.44Å; R631-D635 IonicContact CZ-OD2 3.04Å; R631-D635 IonicContact NE-OD2 3.25Å; R631-D635 PolarHBondContact NE-OD2 3.44Å; R631-D635 IonicContact NH1-OD2 2.66Å; R631-D635 PolarHBondContact NH1-OD2 3.23Å; R631-D635 IonicContact NH2-OD2 2.78Å; R631-T637 PolarHBondContact NH1-OG1 3.2Å | ||
| 632 | S | 45.3 | Very low | 66.6 | Low | 93 Ų | 93 | 65.7 Ų | 65.7 | 65% | 0.65 | 35% | 0.352 | S | S | * | . | trans | -48.3 | 151.7 | 168.8 | 161.6 | 0 | 0 | 0 | 0 | 111.5 | N634 | S632-N634 PolarHBondContact O-N 2.94Š| ||
| 633 | R | 45.7 | Very low | 66.1 | Low | 237 Ų | 237 | 65.7 Ų | 65.7 | 89% | 0.894 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -13.3 | -177.9 | -108.2 | 178.4 | 166.8 | -173.6 | -3.9 | 116.3 | ||
| 634 | N | 43.6 | Very low | 65.6 | Low | 147 Ų | 147 | 69.3 Ų | 69.3 | 79% | 0.786 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 8.8 | -164.4 | -66.4 | -5 | 0 | 0 | 0 | 115.9 | S632 | S632-N634 PolarHBondContact O-N 2.94Š|
| 635 | D | 47.8 | Very low | 65.3 | Low | 67 Ų | 67 | 75.2 Ų | 75.2 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | trans | -96.4 | 116 | -179.5 | -161.2 | -22.9 | 0 | 0 | 0 | 112.5 | R631 T637 | R631-D635 WeakPolarHBondContact CD-OD2 3.44Å; R631-D635 IonicContact CZ-OD2 3.04Å; R631-D635 IonicContact NE-OD2 3.25Å; R631-D635 PolarHBondContact NE-OD2 3.44Å; R631-D635 IonicContact NH1-OD2 2.66Å; R631-D635 PolarHBondContact NH1-OD2 3.23Å; R631-D635 IonicContact NH2-OD2 2.78Å; D635-T637 PolarHBondContact OD1-N 3.35Å; D635-T637 PolarHBondContact OD1-OG1 3.08Å | ||
| 636 | S | 44.5 | Very low | 65.3 | Low | 118 Ų | 118 | 76.8 Ų | 76.8 | 83% | 0.825 | 40% | 0.4 | S | S | * | . | trans | -87.2 | 5.1 | -175 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | S638 | S636-S638 PolarHBondContact O-N 3.24Š| ||
| 637 | T | 49.2 | Very low | 65.5 | Low | 83 Ų | 83 | 77.1 Ų | 77.1 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | trans | -86 | 24 | 180 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | R631 D635 V639 | R631-T637 PolarHBondContact NH1-OG1 3.2Å; D635-T637 PolarHBondContact OD1-N 3.35Å; D635-T637 PolarHBondContact OD1-OG1 3.08Å; T637-V639 PolarHBondContact O-N 3.3Å; T637-V639 VanDerWaalsContact O-N 3.1Å | ||
| 638 | S | 54.2 | Low | 66.2 | Low | 103 Ų | 103 | 75.4 Ų | 75.4 | 72% | 0.72 | 39% | 0.391 | S | S | * | . | trans | -55.7 | 106.1 | -162 | 66 | 0 | 0 | 0 | 0 | 115 | S636 | S636-S638 PolarHBondContact O-N 3.24Š| ||
| 639 | V | 59.7 | Low | 67.2 | Low | 22 Ų | 22 | 74 Ų | 74 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | trans | -102.9 | -11.8 | 166.5 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | F541 S542 K544 P558 T637 | F541-V639 HydrophobicContact CE2-CG1 4.24Å; S542-V639 WeakPolarHBondContact O-CG1 3.41Å; K544-V639 HydrophobicContact CB-CG2 3.78Å; P558-V639 VanDerWaalsContact CA-O 3.24Å; P558-V639 WeakPolarHBondContact CA-O 3.45Å; P558-V639 WeakPolarHBondContact CB-O 3.5Å; T637-V639 PolarHBondContact O-N 3.3Å; T637-V639 VanDerWaalsContact O-N 3.1Å | ||
| 640 | G | 65.6 | Low | 68.7 | Low | 20 Ų | 20 | 73.8 Ų | 73.8 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -85.1 | 157 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D628 | D628-G640 WeakPolarHBondContact OD2-CA 3.43Š|
| 641 | H | 77.3 | Confident | 70.7 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | trans | -50.6 | 144.7 | 160.7 | -66.5 | -61.3 | 0 | 0 | 0 | 109.7 | W538 G559 P579 F622 A643 W646 | W538-H641 AromaticContact CH2-CD2 3.89Å; G559-H641 PolarHBondContact O-NE2 2.84Å; P579-H641 VanDerWaalsContact CG-CE1 3.41Å; P579-H641 WeakPolarHBondContact CG-CE1 3.32Å; F622-H641 HydrophobicContact CZ-CB 4.2Å; F622-H641 AromaticContact CZ-CD2 3.66Å; H641-A643 HydrophobicContact CB-CB 4.44Å; H641-A643 PolarHBondContact O-N 3.03Å; H641-W646 HydrophobicContact CB-CH2 3.57Å; H641-W646 HydrophobicContact CB-CZ2 4.03Å; H641-W646 HydrophobicContact CB-CZ3 4.03Å; H641-W646 AromaticContact CG-CH2 3.76Å; H641-W646 AromaticContact ND1-CH2 3.82Å | ||
| 642 | Q | 82.3 | Confident | 72.7 | Confident | 110 Ų | 110 | 65.3 Ų | 65.3 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.5 | 42.8 | 174.4 | -63.1 | -168.7 | 2.5 | 0 | 0 | 112.1 | H644 K645 | Q642-H644 PolarHBondContact O-N 3.08Å; Q642-H644 VanDerWaalsContact O-N 3.16Å; Q642-K645 HydrophobicContact CB-CD 4.36Å; Q642-K645 HydrophobicContact CB-CG 4.49Å; Q642-K645 WeakPolarHBondContact O-CB 3.46Å; Q642-K645 PolarHBondContact O-N 3.32Å |
| 643 | A | 83.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -62.5 | -22.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F622 H641 K645 W646 T649 Y654 | F622-A643 HydrophobicContact CE1-CB 3.96Å; H641-A643 HydrophobicContact CB-CB 4.44Å; H641-A643 PolarHBondContact O-N 3.03Å; A643-K645 PolarHBondContact O-N 3.48Å; A643-W646 HydrophobicContact CB-CD2 4.41Å; A643-W646 HydrophobicContact CB-CE3 4.08Å; A643-W646 PolarHBondContact O-N 3.14Å; A643-W646 VanDerWaalsContact O-N 3.13Å; A643-T649 HydrophobicContact CB-CG2 4.36Å; A643-T649 PolarHBondContact O-OG1 2.94Å; A643-Y654 HydrophobicContact CB-CD2 3.96Å; A643-Y654 HydrophobicContact CB-CE2 3.65Å |
| 644 | H | 82.9 | Confident | 76.8 | Confident | 83 Ų | 83 | 51 Ų | 51 | 38% | 0.384 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -65.8 | -11.6 | 169.8 | 66.2 | -86.8 | 0 | 0 | 0 | 113.6 | Q642 Y654 | Q642-H644 PolarHBondContact O-N 3.08Å; Q642-H644 VanDerWaalsContact O-N 3.16Å; H644-Y654 HydrophobicContact CB-CD1 4.19Å; H644-Y654 HydrophobicContact CB-CE1 3.77Å |
| 645 | K | 86 | Confident | 78.4 | Confident | 124 Ų | 124 | 45.9 Ų | 45.9 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -105.3 | -6.7 | 174.2 | -54.2 | -174.2 | -175.2 | 168.5 | 0 | 112.8 | Q642 A643 | Q642-K645 HydrophobicContact CB-CD 4.36Å; Q642-K645 HydrophobicContact CB-CG 4.49Å; Q642-K645 WeakPolarHBondContact O-CB 3.46Å; Q642-K645 PolarHBondContact O-N 3.32Å; A643-K645 PolarHBondContact O-N 3.48Å |
| 646 | W | 91.6 | Very high | 80 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | trans | -88.9 | 119.4 | -172.8 | -67.9 | -0.5 | 0 | 0 | 0 | 109.3 | P579 A585 L596 P597 F622 H641 A643 L648 T649 L650 | P579-W646 HydrophobicContact CG-CH2 4.45Å; A585-W646 HydrophobicContact CB-CH2 4.32Å; A585-W646 HydrophobicContact CB-CZ3 4.47Å; L596-W646 HydrophobicContact CB-CD2 4.32Å; L596-W646 HydrophobicContact CB-CE3 3.58Å; L596-W646 HydrophobicContact CB-CZ3 3.99Å; L596-W646 HydrophobicContact CD1-CE3 3.95Å; L596-W646 HydrophobicContact CD1-CZ3 3.63Å; L596-W646 HydrophobicContact CG-CE3 4.44Å; L596-W646 HydrophobicContact CG-CZ3 4.49Å; P597-W646 HydrophobicContact CB-CD2 4.44Å; P597-W646 HydrophobicContact CB-CG 3.98Å; P597-W646 HydrophobicContact CG-CD2 3.87Å; P597-W646 HydrophobicContact CG-CG 3.94Å; P597-W646 HydrophobicContact CG-CZ2 4.29Å; F622-W646 HydrophobicContact CE1-CE3 4.35Å; F622-W646 AromaticContact CE1-CZ3 3.99Å; F622-W646 HydrophobicContact CE1-CZ3 3.99Å; F622-W646 HydrophobicContact CE2-CZ3 4.25Å; F622-W646 HydrophobicContact CZ-CE3 4.39Å; F622-W646 HydrophobicContact CZ-CH2 4.38Å; F622-W646 AromaticContact CZ-CZ3 3.59Å; F622-W646 HydrophobicContact CZ-CZ3 3.59Å; H641-W646 HydrophobicContact CB-CH2 3.57Å; H641-W646 HydrophobicContact CB-CZ2 4.03Å; H641-W646 HydrophobicContact CB-CZ3 4.03Å; H641-W646 AromaticContact CG-CH2 3.76Å; H641-W646 AromaticContact ND1-CH2 3.82Å; A643-W646 HydrophobicContact CB-CD2 4.41Å; A643-W646 HydrophobicContact CB-CE3 4.08Å; A643-W646 PolarHBondContact O-N 3.14Å; A643-W646 VanDerWaalsContact O-N 3.13Å; W646-L648 VanDerWaalsContact C-N 3.3Å; W646-L648 PolarHBondContact O-N 3.15Å; W646-T649 HydrophobicContact CB-CG2 4.32Å; W646-T649 WeakPolarHBondContact CB-OG1 3.44Å; W646-T649 HydrophobicContact CE3-CG2 4.03Å; W646-T649 PolarHBondContact O-N 2.6Å; W646-T649 PolarHBondContact O-OG1 3.35Å; W646-L650 WeakPolarHBondContact O-CG 3.37Å; W646-L650 PolarHBondContact O-N 2.84Å | ||
| 647 | P | 94.3 | Very high | 81.5 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -39.2 | -173.5 | -26.9 | 36 | 0 | 0 | 0 | 113.9 | P597 K599 L650 A651 | P597-P647 WeakPolarHBondContact O-CD 3.41Å; K599-P647 HydrophobicContact CD-CG 4.45Å; K599-P647 HydrophobicContact CG-CB 3.73Å; K599-P647 HydrophobicContact CG-CG 3.76Å; P647-L650 PolarHBondContact O-N 3.37Å; P647-A651 WeakPolarHBondContact O-CB 3.15Å; P647-A651 PolarHBondContact O-N 2.9Å |
| 648 | L | 95.5 | Very high | 83 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.7 | -34.7 | -175.7 | -164.2 | 63.8 | 0 | 0 | 0 | 112.3 | L409 F587 A594 L596 I615 F616 A619 W646 A651 C652 | L409-L648 HydrophobicContact CD2-CD1 3.9Å; F587-L648 HydrophobicContact CZ-CD2 4.29Å; A594-L648 HydrophobicContact CB-CD2 4.38Å; L596-L648 HydrophobicContact CD2-CD2 4.31Å; L596-L648 WeakPolarHBondContact O-CB 3.24Å; L596-L648 PolarHBondContact O-N 2.91Å; I615-L648 HydrophobicContact CG2-CD2 3.77Å; F616-L648 HydrophobicContact CE1-CD1 4.46Å; F616-L648 HydrophobicContact CE2-CD1 4.32Å; F616-L648 HydrophobicContact CZ-CD1 4.22Å; A619-L648 HydrophobicContact CB-CD2 3.76Å; A619-L648 HydrophobicContact CB-CG 3.62Å; W646-L648 VanDerWaalsContact C-N 3.3Å; W646-L648 PolarHBondContact O-N 3.15Å; L648-A651 PolarHBondContact O-N 3.11Å; L648-C652 PolarHBondContact O-N 3.11Å; L648-C652 VanDerWaalsContact O-N 3.07Å; L648-C652 PolarHBondContact O-SG 2.84Å |
| 649 | T | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -37.6 | 173.7 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | L596 F622 V623 A643 W646 C652 G653 Y654 | L596-T649 HydrophobicContact CB-CG2 4.41Å; L596-T649 HydrophobicContact CD2-CG2 4.29Å; F622-T649 HydrophobicContact CD1-CG2 3.69Å; F622-T649 HydrophobicContact CE1-CG2 4.03Å; V623-T649 HydrophobicContact CG2-CG2 4.48Å; A643-T649 HydrophobicContact CB-CG2 4.36Å; A643-T649 PolarHBondContact O-OG1 2.94Å; W646-T649 HydrophobicContact CB-CG2 4.32Å; W646-T649 WeakPolarHBondContact CB-OG1 3.44Å; W646-T649 HydrophobicContact CE3-CG2 4.03Å; W646-T649 PolarHBondContact O-N 2.6Å; W646-T649 PolarHBondContact O-OG1 3.35Å; T649-C652 CarbonylContact O-C 3.45Å; T649-C652 PolarHBondContact O-N 3.27Å; T649-G653 PolarHBondContact O-N 2.86Å; T649-Y654 WeakPolarHBondContact O-CB 3.32Å; T649-Y654 PolarHBondContact O-N 3.48Å |
| 650 | L | 92.4 | Very high | 85.1 | Confident | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.366 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 172.9 | -71 | 174.9 | 0 | 0 | 0 | 111.7 | W646 P647 C652 G653 | W646-L650 WeakPolarHBondContact O-CG 3.37Å; W646-L650 PolarHBondContact O-N 2.84Å; P647-L650 PolarHBondContact O-N 3.37Å; L650-C652 PolarHBondContact O-N 3.28Å; L650-G653 PolarHBondContact O-N 2.89Å |
| 651 | A | 95.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -34.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L409 V411 F414 H450 F616 P647 L648 G653 | L409-A651 HydrophobicContact CD2-CB 4.19Å; V411-A651 HydrophobicContact CG1-CB 4.31Å; V411-A651 HydrophobicContact CG2-CB 4.35Å; F414-A651 WeakPolarHBondContact CE2-O 3.35Å; F414-A651 WeakPolarHBondContact CZ-O 3.25Å; H450-A651 PolarHBondContact NE2-O 2.96Å; F616-A651 HydrophobicContact CE1-CB 4.22Å; P647-A651 WeakPolarHBondContact O-CB 3.15Å; P647-A651 PolarHBondContact O-N 2.9Å; L648-A651 PolarHBondContact O-N 3.11Å; A651-G653 PolarHBondContact O-N 3.31Å |
| 652 | C | 95.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 18.9 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | H467 A619 T620 V623 L648 T649 L650 | H467-C652 PolarHBondContact NE2-O 3.28Å; A619-C652 WeakPolarHBondContact CB-SG 3.29Å; T620-C652 PolarHBondContact OG1-SG 3.05Å; V623-C652 HydrophobicContact CG2-CB 4.19Å; L648-C652 PolarHBondContact O-N 3.11Å; L648-C652 VanDerWaalsContact O-N 3.07Å; L648-C652 PolarHBondContact O-SG 2.84Å; T649-C652 CarbonylContact O-C 3.45Å; T649-C652 PolarHBondContact O-N 3.27Å; L650-C652 PolarHBondContact O-N 3.28Å |
| 653 | G | 90.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 14.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F414 T649 L650 A651 G655 R656 L658 | F414-G653 VanDerWaalsContact CE2-CA 3.42Å; T649-G653 PolarHBondContact O-N 2.86Å; L650-G653 PolarHBondContact O-N 2.89Å; A651-G653 PolarHBondContact O-N 3.31Å; G653-G655 PolarHBondContact O-N 2.9Å; G653-G655 VanDerWaalsContact O-N 3.11Å; G653-R656 VanDerWaalsContact O-CB 3.25Å; G653-R656 WeakPolarHBondContact O-CB 3.42Å; G653-R656 VanDerWaalsContact O-CG 3.32Å; G653-R656 WeakPolarHBondContact O-CG 3.18Å; G653-R656 PolarHBondContact O-N 2.93Å; G653-L658 WeakPolarHBondContact O-CD1 3.47Å |
| 654 | Y | 87.1 | Confident | 84.1 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 11% | 0.114 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 123.8 | 174 | -172.9 | -82.8 | 0 | 0 | 0 | 110.6 | V623 A643 H644 T649 | V623-Y654 HydrophobicContact CG1-CD2 4.3Å; V623-Y654 HydrophobicContact CG2-CD2 4.26Å; A643-Y654 HydrophobicContact CB-CD2 3.96Å; A643-Y654 HydrophobicContact CB-CE2 3.65Å; H644-Y654 HydrophobicContact CB-CD1 4.19Å; H644-Y654 HydrophobicContact CB-CE1 3.77Å; T649-Y654 WeakPolarHBondContact O-CB 3.32Å; T649-Y654 PolarHBondContact O-N 3.48Å |
| 655 | G | 76 | Confident | 83.1 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -4.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G653 | G653-G655 PolarHBondContact O-N 2.9Å; G653-G655 VanDerWaalsContact O-N 3.11Å |
| 656 | R | 81.3 | Confident | 81.8 | Confident | 126 Ų | 126 | 39.2 Ų | 39.2 | 48% | 0.475 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -99.7 | 171 | -179.6 | -53.8 | -58 | -178.5 | 173.6 | 1.7 | 112.1 | F414 G653 L658 | F414-R656 HydrophobicContact CD2-CG 4.27Å; F414-R656 HydrophobicContact CG-CG 4.27Å; G653-R656 VanDerWaalsContact O-CB 3.25Å; G653-R656 WeakPolarHBondContact O-CB 3.42Å; G653-R656 VanDerWaalsContact O-CG 3.32Å; G653-R656 WeakPolarHBondContact O-CG 3.18Å; G653-R656 PolarHBondContact O-N 2.93Å; R656-L658 HydrophobicContact CB-CD2 4.34Å; R656-L658 HydrophobicContact CB-CG 4.37Å; R656-L658 PolarHBondContact O-N 2.9Å |
| 657 | Q | 75.8 | Confident | 79.9 | Confident | 145 Ų | 145 | 39.6 Ų | 39.6 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | trans | -73.6 | 110.1 | 170.1 | -72.5 | -167.1 | -1.5 | 0 | 0 | 109.6 | ||||
| 658 | L | 81 | Confident | 77.5 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -131.3 | 155.7 | -173.9 | -58.9 | 176.8 | 0 | 0 | 0 | 109.9 | H467 V623 L624 G653 R656 T660 L663 | H467-L658 HydrophobicContact CB-CD2 3.58Å; H467-L658 WeakPolarHBondContact CD2-CD2 3.44Å; V623-L658 HydrophobicContact CB-CD1 4.45Å; V623-L658 HydrophobicContact CG1-CD1 3.28Å; L624-L658 HydrophobicContact CD2-CB 4.01Å; L624-L658 HydrophobicContact CD2-CD1 4.43Å; G653-L658 WeakPolarHBondContact O-CD1 3.47Å; R656-L658 HydrophobicContact CB-CD2 4.34Å; R656-L658 HydrophobicContact CB-CG 4.37Å; R656-L658 PolarHBondContact O-N 2.9Å; L658-T660 HydrophobicContact CB-CG2 3.81Å; L658-T660 PolarHBondContact O-N 3.05Å; L658-L663 WeakPolarHBondContact O-CD2 3.24Å | ||
| 659 | P | 79.4 | Confident | 74.8 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | trans | -73.8 | 56.5 | 173 | 33.6 | -36.9 | 0 | 0 | 0 | 112 | L472 S474 L491 L624 | L472-P659 HydrophobicContact CD2-CB 4.15Å; S474-P659 WeakPolarHBondContact OG-CG 3.32Å; L491-P659 HydrophobicContact CD1-CG 4.41Å; L624-P659 HydrophobicContact CD2-CG 4.21Å | ||
| 660 | T | 80 | Confident | 71.9 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | trans | -70.4 | 154.7 | 179.7 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | L624 I630 L658 R662 L663 L664 | L624-T660 HydrophobicContact CD2-CG2 4.49Å; L624-T660 WeakPolarHBondContact O-CA 3.48Å; I630-T660 HydrophobicContact CD1-CG2 4.47Å; L658-T660 HydrophobicContact CB-CG2 3.81Å; L658-T660 PolarHBondContact O-N 3.05Å; T660-R662 PolarHBondContact O-N 2.71Å; T660-R662 VanDerWaalsContact O-N 3.1Å; T660-L663 PolarHBondContact O-N 3.25Å; T660-L663 PolarHBondContact OG1-N 2.83Å; T660-L663 VanDerWaalsContact OG1-N 3.13Å; T660-L664 WeakPolarHBondContact O-CD1 3.41Å; T660-L664 WeakPolarHBondContact O-CG 3.47Å; T660-L664 PolarHBondContact O-N 3.11Å | ||
| 661 | N | 76.2 | Confident | 69.2 | Low | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -50.5 | -37.1 | 171.7 | -68.5 | -2 | 0 | 0 | 0 | 111.6 | E518 R520 L624 L664 L665 | E518-N661 WeakPolarHBondContact CA-ND2 3.35Å; E518-N661 PolarHBondContact O-ND2 2.97Å; R520-N661 PolarHBondContact NE-OD1 3.37Å; R520-N661 PolarHBondContact NH1-OD1 2.93Å; R520-N661 PolarHBondContact NH2-OD1 2.8Å; L624-N661 PolarHBondContact O-N 2.93Å; N661-L664 PolarHBondContact O-N 3.06Å; N661-L665 VanDerWaalsContact O-CG 3.24Å; N661-L665 WeakPolarHBondContact O-CG 3.39Å; N661-L665 PolarHBondContact O-N 3.48Å |
| 662 | R | 72.4 | Confident | 66.2 | Low | 102 Ų | 102 | 64.9 Ų | 64.9 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 177.3 | 179.1 | -176.8 | 166.3 | -163.6 | -6.8 | 112.9 | T660 L664 L665 S666 | T660-R662 PolarHBondContact O-N 2.71Å; T660-R662 VanDerWaalsContact O-N 3.1Å; R662-L664 PolarHBondContact O-N 3.43Å; R662-L665 PolarHBondContact O-N 3.24Å; R662-L665 VanDerWaalsContact O-N 3.14Å; R662-S666 PolarHBondContact O-N 3.42Å; R662-S666 PolarHBondContact O-OG 2.66Å; R662-S666 VanDerWaalsContact O-OG 3.08Å |
| 663 | L | 70.7 | Confident | 63.3 | Low | 65 Ų | 65 | 68.7 Ų | 68.7 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.9 | -40.6 | -178.7 | 178.8 | 68.8 | 0 | 0 | 0 | 110.4 | A469 L658 T660 S666 A667 | A469-L663 HydrophobicContact CB-CD2 3.51Å; L658-L663 WeakPolarHBondContact O-CD2 3.24Å; T660-L663 PolarHBondContact O-N 3.25Å; T660-L663 PolarHBondContact OG1-N 2.83Å; T660-L663 VanDerWaalsContact OG1-N 3.13Å; L663-S666 WeakPolarHBondContact CA-OG 3.41Å; L663-S666 PolarHBondContact O-N 3.13Å; L663-S666 PolarHBondContact O-OG 3.41Å; L663-A667 PolarHBondContact O-N 2.96Å; L663-A667 VanDerWaalsContact O-N 3.14Å |
| 664 | L | 67.1 | Low | 60.5 | Low | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.2 | -37.3 | -178 | -60.3 | 164.4 | 0 | 0 | 0 | 112.2 | L472 T660 N661 R662 I677 L681 | L472-L664 HydrophobicContact CD2-CD2 3.56Å; T660-L664 WeakPolarHBondContact O-CD1 3.41Å; T660-L664 WeakPolarHBondContact O-CG 3.47Å; T660-L664 PolarHBondContact O-N 3.11Å; N661-L664 PolarHBondContact O-N 3.06Å; R662-L664 PolarHBondContact O-N 3.43Å; L664-I677 HydrophobicContact CD2-CB 4.05Å; L664-I677 HydrophobicContact CD2-CG2 3.27Å; L664-L681 HydrophobicContact CB-CD1 4.48Å; L664-L681 HydrophobicContact CD1-CD1 3.4Å; L664-L681 HydrophobicContact CD2-CD1 3.86Å; L664-L681 HydrophobicContact CG-CD1 4.1Å |
| 665 | L | 63.2 | Low | 58.2 | Low | 103 Ų | 103 | 73.8 Ų | 73.8 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.7 | -30.8 | 174.9 | -68.9 | 167.4 | 0 | 0 | 0 | 113.1 | N661 R662 | N661-L665 VanDerWaalsContact O-CG 3.24Å; N661-L665 WeakPolarHBondContact O-CG 3.39Å; N661-L665 PolarHBondContact O-N 3.48Å; R662-L665 PolarHBondContact O-N 3.24Å; R662-L665 VanDerWaalsContact O-N 3.14Å |
| 666 | S | 57.6 | Low | 56.5 | Low | 42 Ų | 42 | 77.8 Ų | 77.8 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.3 | -26.8 | 177.8 | 51 | 0 | 0 | 0 | 0 | 113.6 | R662 L663 D668 Q669 | R662-S666 PolarHBondContact O-N 3.42Å; R662-S666 PolarHBondContact O-OG 2.66Å; R662-S666 VanDerWaalsContact O-OG 3.08Å; L663-S666 WeakPolarHBondContact CA-OG 3.41Å; L663-S666 PolarHBondContact O-N 3.13Å; L663-S666 PolarHBondContact O-OG 3.41Å; S666-D668 PolarHBondContact O-N 3.26Å; S666-Q669 PolarHBondContact O-N 2.79Å; S666-Q669 VanDerWaalsContact O-N 3.08Å |
| 667 | A | 51.7 | Low | 54.7 | Low | 42 Ų | 42 | 72.7 Ų | 72.7 | 35% | 0.347 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L663 I677 | L663-A667 PolarHBondContact O-N 2.96Å; L663-A667 VanDerWaalsContact O-N 3.14Å; A667-I677 HydrophobicContact CB-CD1 4Å; A667-I677 HydrophobicContact CB-CG1 4.12Å |
| 668 | D | 44.4 | Very low | 52.8 | Low | 118 Ų | 118 | 66.9 Ų | 66.9 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.5 | 174.9 | -101.2 | -1.9 | 0 | 0 | 0 | 114.1 | S666 A678 | S666-D668 PolarHBondContact O-N 3.26Å; D668-A678 WeakPolarHBondContact OD2-CB 3.04Å |
| 669 | Q | 38.3 | Very low | 50.8 | Low | 166 Ų | 166 | 68.8 Ų | 68.8 | 78% | 0.776 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -27.9 | -170.4 | -73.6 | -170.9 | -10.7 | 0 | 0 | 115.2 | S666 | S666-Q669 PolarHBondContact O-N 2.79Å; S666-Q669 VanDerWaalsContact O-N 3.08Å |
| 670 | D | 32.3 | Very low | 49.1 | Very low | 117 Ų | 117 | 70.6 Ų | 70.6 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -103.8 | 3.7 | -166.4 | -80.8 | -25.6 | 0 | 0 | 0 | 115.5 | L672 | D670-L672 HydrophobicContact CB-CD1 4.06Å; D670-L672 PolarHBondContact O-N 3.03Å |
| 671 | G | 37 | Very low | 47.3 | Very low | 77 Ų | 77 | 71.5 Ų | 71.5 | 79% | 0.794 | 44% | 0.437 | S | S | * | . | trans | 54.7 | 19 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G673 | G671-G673 PolarHBondContact O-N 2.84Š| ||
| 672 | L | 31.7 | Very low | 45.7 | Very low | 149 Ų | 149 | 73.6 Ų | 73.6 | 78% | 0.78 | 45% | 0.447 | S | S | * | . | trans | -72.2 | 98.6 | 173.7 | -85.6 | 154 | 0 | 0 | 0 | 106.9 | D670 | D670-L672 HydrophobicContact CB-CD1 4.06Å; D670-L672 PolarHBondContact O-N 3.03Å | ||
| 673 | G | 35.3 | Very low | 44.2 | Very low | 80 Ų | 80 | 71.7 Ų | 71.7 | 83% | 0.825 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -46.8 | 136.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G671 | G671-G673 PolarHBondContact O-N 2.84Š|
| 674 | G | 32.6 | Very low | 42.3 | Very low | 80 Ų | 80 | 70 Ų | 70 | 83% | 0.825 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 121 | 10.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 675 | C | 39.4 | Very low | 40.7 | Very low | 55 Ų | 55 | 76.5 Ų | 76.5 | 37% | 0.372 | 49% | 0.486 | S | S | . | . | trans | -148.7 | 104.2 | 173.6 | -142 | 0 | 0 | 0 | 0 | 111.8 | I677 | C675-I677 HydrophobicContact CB-CD1 3.6Å; C675-I677 HydrophobicContact CB-CG1 3.43Å; C675-I677 VanDerWaalsContact CB-CG1 3.43Å; C675-I677 WeakPolarHBondContact O-CG1 2.82Å; C675-I677 PolarHBondContact O-N 3.03Å; C675-I677 VanDerWaalsContact SG-CG1 3.6Å | ||
| 676 | E | 39.7 | Very low | 39.2 | Very low | 124 Ų | 124 | 75 Ų | 75 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | trans | -70.3 | 70.6 | 168.6 | -63.7 | 179.3 | 159.6 | 0 | 0 | 109.4 | C692 | E676-C692 PolarHBondContact OE1-SG 2.95Å; E676-C692 WeakPolarHBondContact OE2-CB 3.44Å; E676-C692 PolarHBondContact OE2-SG 3.1Å | ||
| 677 | I | 43.2 | Very low | 37.7 | Very low | 19 Ų | 19 | 78.7 Ų | 78.7 | 10% | 0.097 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -85.8 | -30.4 | -167.8 | -27.9 | -166.6 | 0 | 0 | 0 | 113.2 | L472 L664 A667 C675 M680 | L472-I677 HydrophobicContact CD1-CG2 3.75Å; L472-I677 HydrophobicContact CD2-CG2 3.73Å; L472-I677 HydrophobicContact CG-CG2 4.17Å; L664-I677 HydrophobicContact CD2-CB 4.05Å; L664-I677 HydrophobicContact CD2-CG2 3.27Å; A667-I677 HydrophobicContact CB-CD1 4Å; A667-I677 HydrophobicContact CB-CG1 4.12Å; C675-I677 HydrophobicContact CB-CD1 3.6Å; C675-I677 HydrophobicContact CB-CG1 3.43Å; C675-I677 VanDerWaalsContact CB-CG1 3.43Å; C675-I677 WeakPolarHBondContact O-CG1 2.82Å; C675-I677 PolarHBondContact O-N 3.03Å; C675-I677 VanDerWaalsContact SG-CG1 3.6Å; I677-M680 WeakPolarHBondContact O-CB 3.03Å; I677-M680 PolarHBondContact O-N 2.87Å |
| 678 | A | 35.5 | Very low | 36.6 | Very low | 24 Ų | 24 | 84.4 Ų | 84.4 | 20% | 0.198 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -68.2 | -43.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D668 M680 L681 M682 | D668-A678 WeakPolarHBondContact OD2-CB 3.04Å; A678-M680 PolarHBondContact O-N 3.05Å; A678-L681 PolarHBondContact O-N 3.4Å; A678-M682 WeakPolarHBondContact O-CB 3.49Å; A678-M682 PolarHBondContact O-N 3.01Å |
| 679 | P | 39.3 | Very low | 36 | Very low | 44 Ų | 44 | 82.2 Ų | 82.2 | 29% | 0.286 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.3 | -27.2 | 175.8 | -20.3 | 33 | 0 | 0 | 0 | 113.3 | L681 M682 C692 | P679-L681 VanDerWaalsContact C-N 3.29Å; P679-L681 PolarHBondContact O-N 3.4Å; P679-M682 PolarHBondContact O-N 3.13Å; P679-C692 HydrophobicContact CB-CB 3.54Å; P679-C692 WeakPolarHBondContact CB-O 3.41Å; P679-C692 HydrophobicContact CG-CB 3.72Å |
| 680 | M | 43.2 | Very low | 35.7 | Very low | 41 Ų | 41 | 79.4 Ų | 79.4 | 20% | 0.202 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -66.2 | -26.7 | -179.4 | -124.1 | -160.9 | -79.7 | 0 | 0 | 114 | N435 L472 I677 A678 A694 | N435-M680 HydrophobicContact CB-CE 3.89Å; N435-M680 HydrophobicContact CB-SD 3.85Å; N435-M680 VanDerWaalsContact CG-CE 3.41Å; L472-M680 HydrophobicContact CD1-SD 4.14Å; I677-M680 WeakPolarHBondContact O-CB 3.03Å; I677-M680 PolarHBondContact O-N 2.87Å; A678-M680 PolarHBondContact O-N 3.05Å; M680-A694 HydrophobicContact CE-CB 4.13Å; M680-A694 HydrophobicContact CG-CB 3.88Å; M680-A694 HydrophobicContact SD-CB 4.22Å |
| 681 | L | 42.1 | Very low | 35.6 | Very low | 30 Ų | 30 | 78.1 Ų | 78.1 | 16% | 0.157 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -102 | -20.5 | 178.3 | -72 | 159.5 | 0 | 0 | 0 | 112.4 | L434 L664 A678 P679 | L434-L681 HydrophobicContact CD1-CD2 4.33Å; L664-L681 HydrophobicContact CB-CD1 4.48Å; L664-L681 HydrophobicContact CD1-CD1 3.4Å; L664-L681 HydrophobicContact CD2-CD1 3.86Å; L664-L681 HydrophobicContact CG-CD1 4.1Å; A678-L681 PolarHBondContact O-N 3.4Å; P679-L681 VanDerWaalsContact C-N 3.29Å; P679-L681 PolarHBondContact O-N 3.4Å |
| 682 | M | 43.5 | Very low | 35.4 | Very low | 57 Ų | 57 | 76.1 Ų | 76.1 | 28% | 0.281 | 54% | 0.535 | S | S | . | . | trans | -137 | 65.1 | -162.8 | -71.3 | -63.9 | -73.5 | 0 | 0 | 112.7 | A517 A678 P679 G684 | A517-M682 WeakPolarHBondContact CA-SD 3.46Å; A517-M682 HydrophobicContact CB-CE 3.64Å; A517-M682 HydrophobicContact CB-CG 3.42Å; A517-M682 VanDerWaalsContact CB-CG 3.42Å; A517-M682 HydrophobicContact CB-SD 3.38Å; A517-M682 WeakPolarHBondContact CB-SD 3.36Å; A517-M682 PolarHBondContact N-SD 3.04Å; A678-M682 WeakPolarHBondContact O-CB 3.49Å; A678-M682 PolarHBondContact O-N 3.01Å; P679-M682 PolarHBondContact O-N 3.13Å; M682-G684 PolarHBondContact O-N 2.72Å | ||
| 683 | C | 40.8 | Very low | 35.5 | Very low | 63 Ų | 63 | 71 Ų | 71 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | trans | -64.9 | 72.2 | 144.7 | -76.9 | 0 | 0 | 0 | 0 | 107.7 | W234 R236 | W234-C683 HydrophobicContact CH2-CB 4.2Å; W234-C683 HydrophobicContact CZ3-CB 3.67Å; R236-C683 PolarHBondContact NE-O 3.28Å; R236-C683 VanDerWaalsContact NH2-C 3.32Å; R236-C683 PolarHBondContact NH2-O 2.92Å | ||
| 684 | G | 31.4 | Very low | 35.4 | Very low | 28 Ų | 28 | 69.2 Ų | 69.2 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | trans | -73.4 | 155.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108 | M682 G686 | M682-G684 PolarHBondContact O-N 2.72Å; G684-G686 PolarHBondContact O-N 3.17Å; G684-G686 VanDerWaalsContact O-N 3.08Å | ||
| 685 | V | 32 | Very low | 35.7 | Very low | 147 Ų | 147 | 66.3 Ų | 66.3 | 89% | 0.891 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 110.5 | 176.6 | -176 | 0 | 0 | 0 | 0 | 108.9 | ||
| 686 | G | 31.5 | Very low | 35.6 | Very low | 72 Ų | 72 | 64 Ų | 64 | 74% | 0.742 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.6 | 29.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | G684 | G684-G686 PolarHBondContact O-N 3.17Å; G684-G686 VanDerWaalsContact O-N 3.08Å |
| 687 | C | 27.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 59.3 Ų | 59.3 | 80% | 0.804 | 43% | 0.431 | S | S | * | . | trans | -95.1 | 102.5 | 163.9 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 688 | D | 28.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 60.6 Ų | 60.6 | 87% | 0.866 | 44% | 0.44 | S | S | * | . | trans | -55.4 | 140.1 | 168.3 | -71.7 | -39.5 | 0 | 0 | 0 | 111 | ||||
| 689 | G | 32 | Very low | 34.8 | Very low | 72 Ų | 72 | 61 Ų | 61 | 74% | 0.742 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 50.5 | 100.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 690 | A | 31 | Very low | 34.3 | Very low | 108 Ų | 108 | 61.5 Ų | 61.5 | 89% | 0.893 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 62.3 | 72.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 691 | A | 30.4 | Very low | 33.8 | Very low | 89 Ų | 89 | 64.4 Ų | 64.4 | 74% | 0.736 | 48% | 0.478 | S | S | * | . | trans | -171.6 | 151 | 140.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 692 | C | 32.5 | Very low | 33.1 | Very low | 35 Ų | 35 | 66.3 Ų | 66.3 | 24% | 0.236 | 51% | 0.505 | C | S | . | . | trans | 72.9 | 48.2 | 156.8 | -40 | 0 | 0 | 0 | 0 | 119.3 | E676 P679 | E676-C692 PolarHBondContact OE1-SG 2.95Å; E676-C692 WeakPolarHBondContact OE2-CB 3.44Å; E676-C692 PolarHBondContact OE2-SG 3.1Å; P679-C692 HydrophobicContact CB-CB 3.54Å; P679-C692 WeakPolarHBondContact CB-O 3.41Å; P679-C692 HydrophobicContact CG-CB 3.72Å | ||
| 693 | G | 33.8 | Very low | 32.2 | Very low | 41 Ų | 41 | 68 Ų | 68 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | trans | -94.1 | 83.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K222 C695 | K222-G693 PolarHBondContact NZ-O 3.3Å; G693-C695 VanDerWaalsContact C-N 3.34Å; G693-C695 PolarHBondContact O-N 2.83Å | ||
| 694 | A | 33.6 | Very low | 31.6 | Very low | 43 Ų | 43 | 71 Ų | 71 | 36% | 0.355 | 55% | 0.548 | S | S | . | . | trans | -69.7 | 95.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | M680 G696 | M680-A694 HydrophobicContact CE-CB 4.13Å; M680-A694 HydrophobicContact CG-CB 3.88Å; M680-A694 HydrophobicContact SD-CB 4.22Å; A694-G696 PolarHBondContact O-N 2.89Å | ||
| 695 | C | 37.7 | Very low | 31.2 | Very low | 19 Ų | 19 | 73.2 Ų | 73.2 | 13% | 0.128 | 57% | 0.571 | C | S | . | * | trans | -57.1 | 121.7 | 170.5 | -61.3 | 0 | 0 | 0 | 0 | 107.5 | G693 A697 C698 | G693-C695 VanDerWaalsContact C-N 3.34Å; G693-C695 PolarHBondContact O-N 2.83Å; C695-A697 PolarHBondContact O-N 2.88Å; C695-C698 HydrophobicContact CB-CB 4.24Å; C695-C698 PolarHBondContact O-N 2.86Å; C695-C698 PolarHBondContact O-SG 2.89Å | ||
| 696 | G | 37.4 | Very low | 30.9 | Very low | 8 Ų | 8 | 69.6 Ų | 69.6 | 8% | 0.082 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | 24.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R436 A694 | R436-G696 WeakPolarHBondContact CB-O 3.01Å; R436-G696 WeakPolarHBondContact CD-O 3.46Å; R436-G696 WeakPolarHBondContact CG-O 3.37Å; R436-G696 PolarHBondContact NH1-O 2.84Å; A694-G696 PolarHBondContact O-N 2.89Å |
| 697 | A | 32.8 | Very low | 30.7 | Very low | 25 Ų | 25 | 73 Ų | 73 | 21% | 0.207 | 57% | 0.574 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -129.9 | -7.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L215 C695 G699 | L215-A697 VanDerWaalsContact CD1-O 3.25Å; L215-A697 WeakPolarHBondContact CD1-O 3.49Å; L215-A697 HydrophobicContact CD2-CB 3.7Å; C695-A697 PolarHBondContact O-N 2.88Å; A697-G699 PolarHBondContact O-N 2.81Å |
| 698 | C | 36 | Very low | 30.5 | Very low | 45 Ų | 45 | 70.8 Ų | 70.8 | 30% | 0.304 | 57% | 0.571 | S | S | . | * | trans | -84.5 | 78.6 | -177.3 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | C695 A700 | C695-C698 HydrophobicContact CB-CB 4.24Å; C695-C698 PolarHBondContact O-N 2.86Å; C695-C698 PolarHBondContact O-SG 2.89Å; C698-A700 PolarHBondContact O-N 3.31Å | ||
| 699 | G | 33.4 | Very low | 30.4 | Very low | 34 Ų | 34 | 66.7 Ų | 66.7 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | trans | -71.1 | -7.9 | 156 | 0 | 0 | 0 | 0 | 0 | 113 | K210 A697 | K210-G699 WeakPolarHBondContact CD-O 3.39Å; K210-G699 WeakPolarHBondContact CE-O 3.35Å; K210-G699 WeakPolarHBondContact CG-O 3.38Å; K210-G699 PolarHBondContact NZ-O 3.34Å; A697-G699 PolarHBondContact O-N 2.81Å | ||
| 700 | A | 29.5 | Very low | 30.2 | Very low | 53 Ų | 53 | 69.8 Ų | 69.8 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | trans | -100.9 | 8.4 | -167 | 0 | 0 | 0 | 0 | 0 | 116.1 | K210 C698 G702 | K210-A700 HydrophobicContact CG-CB 4.48Å; C698-A700 PolarHBondContact O-N 3.31Å; A700-G702 PolarHBondContact O-N 3.41Å; A700-G702 VanDerWaalsContact O-N 3.08Å | ||
| 701 | C | 32.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 68.3 Ų | 68.3 | 70% | 0.696 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 36.8 | 176.7 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 702 | G | 28.4 | Very low | 29.6 | Very low | 70 Ų | 70 | 67.6 Ų | 67.6 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 5.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A700 | A700-G702 PolarHBondContact O-N 3.41Å; A700-G702 VanDerWaalsContact O-N 3.08Å |
| 703 | A | 24.6 | Very low | 29.4 | Very low | 92 Ų | 92 | 72.8 Ų | 72.8 | 76% | 0.76 | 61% | 0.608 | S | S | * | * | trans | -131.4 | 56.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 704 | C | 27.5 | Very low | 29 | Very low | 126 Ų | 126 | 74.5 Ų | 74.5 | 85% | 0.851 | 63% | 0.626 | S | S | * | * | trans | -108 | 57.5 | 155.9 | -46.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 705 | G | 23.5 | Very low | 28.6 | Very low | 74 Ų | 74 | 75.8 Ų | 75.8 | 76% | 0.763 | 64% | 0.644 | S | S | * | * | trans | -74.2 | 124.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 706 | G | 26 | Very low | 28.1 | Very low | 71 Ų | 71 | 81.6 Ų | 81.6 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | trans | 69.2 | 97.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 707 | C | 26.5 | Very low | 27.6 | Very low | 144 Ų | 144 | 85.3 Ų | 85.3 | 97% | 0.973 | 72% | 0.721 | S | S | * | * | trans | -109.6 | 87.1 | 139.2 | -74.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 708 | G | 23.2 | Very low | 27.4 | Very low | 72 Ų | 72 | 87.5 Ų | 87.5 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -72.4 | 148.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 709 | G | 25.9 | Very low | 27 | Very low | 76 Ų | 76 | 92.3 Ų | 92.3 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | 8.9 | 124.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 710 | C | 28.7 | Very low | 27.1 | Very low | 137 Ų | 137 | 98.2 Ų | 98.2 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | trans | -137.2 | 118.9 | 130.9 | -76.6 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 711 | G | 24.4 | Very low | 27 | Very low | 78 Ų | 78 | 100.5 Ų | 100.5 | 80% | 0.804 | 86% | 0.859 | S | S | * | * | 95.5 | 101.3 | 54.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 712 | G | 24.5 | Very low | 26.7 | Very low | 74 Ų | 74 | 100.3 Ų | 100.3 | 76% | 0.763 | 87% | 0.868 | S | S | * | * | trans | -73.2 | 173.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 713 | C | 27.7 | Very low | 26.6 | Very low | 143 Ų | 143 | 102 Ų | 102 | 97% | 0.966 | 88% | 0.876 | S | S | * | * | trans | 162.8 | 126.3 | 157.3 | -84.7 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 714 | G | 25.2 | Very low | 26.7 | Very low | 78 Ų | 78 | 102.6 Ų | 102.6 | 80% | 0.804 | 88% | 0.883 | S | S | * | * | cis | 154.8 | 143.8 | 11.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 715 | G | 25.4 | Very low | 26.6 | Very low | 70 Ų | 70 | 101.1 Ų | 101.1 | 72% | 0.722 | 89% | 0.885 | S | S | * | * | trans | 92 | 103.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 716 | C | 27.5 | Very low | 26.9 | Very low | 141 Ų | 141 | 102.9 Ų | 102.9 | 95% | 0.953 | 89% | 0.893 | S | S | * | * | 78.2 | 123.6 | 122.9 | -61.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 717 | G | 26.7 | Very low | 26.9 | Very low | 86 Ų | 86 | 105.2 Ų | 105.2 | 89% | 0.887 | 90% | 0.904 | S | S | * | * | trans | 112.1 | 107.7 | 150 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 718 | G | 27.6 | Very low | 26.9 | Very low | 71 Ų | 71 | 102.2 Ų | 102.2 | 73% | 0.732 | 90% | 0.899 | S | S | * | * | cis | 124.6 | 123 | 22 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 719 | C | 29.2 | Very low | 27.3 | Very low | 146 Ų | 146 | 104.8 Ų | 104.8 | 99% | 0.986 | 91% | 0.912 | S | S | * | * | trans | 85.1 | 114 | 161.9 | -53.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 720 | G | 34.3 | Very low | 27.4 | Very low | 157 Ų | 157 | 107.4 Ų | 107.4 | 100% | 1.619 | 92% | 0.924 | S | S | * | * | trans | 155.1 | 0 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 720 of 720 residues in 211.2 ms
(Link to these results)