| 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 | 91.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 26.5 Ų | 26.5 | 16% | 0.158 | 13% | 0.125 | C | C | . | . | 0 | 144.3 | 0 | -55.7 | 162.8 | -172.9 | 0 | 0 | 109.3 | L12 Q13 Q14 L47 V48 F229 W230 | M1-L12 HydrophobicContact SD-CD2 4.12Å; M1-Q13 CarbonylContact C-O 3.6Å; M1-Q13 WeakPolarHBondContact CA-O 3.4Å; M1-Q14 HydrophobicContact CG-CB 4.16Å; M1-L47 WeakPolarHBondContact O-CA 3.19Å; M1-V48 HydrophobicContact CB-CG2 3.93Å; M1-V48 WeakPolarHBondContact CB-O 3.28Å; M1-V48 PolarHBondContact N-O 3.09Å; M1-V48 PolarHBondContact O-N 2.66Å; M1-F229 HydrophobicContact CE-CE1 4.39Å; M1-W230 HydrophobicContact CE-CE3 4.22Å; M1-W230 HydrophobicContact CE-CZ3 4.1Å; M1-W230 HydrophobicContact CG-CZ3 4.18Å; M1-W230 HydrophobicContact SD-CE3 4.11Å; M1-W230 HydrophobicContact SD-CZ3 3.57Å; M1-W230 VanDerWaalsContact SD-CZ3 3.57Å | |||
| 2 | E | 93.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 9% | 0.093 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.2 | 170.7 | -64.4 | 177.1 | 81.1 | 0 | 0 | 108.5 | F4 L12 Q13 L47 C107 K109 H110 | E2-F4 HydrophobicContact CB-CE2 3.77Å; E2-F4 HydrophobicContact CB-CZ 4.25Å; E2-L12 CarbonylContact O-C 3.57Å; E2-L12 WeakPolarHBondContact O-CA 3.37Å; E2-Q13 PolarHBondContact N-O 2.81Å; E2-Q13 PolarHBondContact O-N 3.3Å; E2-L47 HydrophobicContact CG-CD2 3.77Å; E2-C107 PolarHBondContact OE1-SG 2.99Å; E2-K109 IonicContact OE1-NZ 2.7Å; E2-K109 WeakPolarHBondContact OE2-CE 3.45Å; E2-K109 IonicContact OE2-NZ 3.15Å; E2-K109 PolarHBondContact OE2-NZ 3.22Å; E2-H110 IonicContact OE1-CE1 2.7Å; E2-H110 PolarHBondContact OE1-CE1 3.17Å; E2-H110 IonicContact OE1-ND1 3.19Å; E2-H110 PolarHBondContact OE1-ND1 3.3Å |
| 3 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.6 | 178.2 | 178 | 67.7 | 0 | 0 | 0 | 109.7 | L12 L45 G46 V48 L67 L92 L104 | L3-L12 HydrophobicContact CD1-CD1 4.09Å; L3-L12 HydrophobicContact CD1-CG 3.98Å; L3-L45 HydrophobicContact CD2-CB 4.05Å; L3-L45 HydrophobicContact CD2-CD1 3.88Å; L3-L45 HydrophobicContact CG-CB 4.19Å; L3-L45 HydrophobicContact CG-CD1 4.13Å; L3-L45 PolarHBondContact O-N 3.09Å; L3-G46 PolarHBondContact N-O 3.42Å; L3-V48 HydrophobicContact CB-CG1 4.43Å; L3-V48 HydrophobicContact CB-CG2 4.43Å; L3-V48 HydrophobicContact CD2-CG1 4.3Å; L3-L67 HydrophobicContact CD1-CD1 4.06Å; L3-L67 HydrophobicContact CD2-CD1 4.08Å; L3-L92 HydrophobicContact CD1-CD1 4.33Å; L3-L92 HydrophobicContact CD2-CD1 4Å; L3-L104 HydrophobicContact CD2-CD1 3.78Å |
| 4 | F | 92.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.1 | 172.4 | -56.3 | -97.2 | 0 | 0 | 0 | 111.1 | E2 Y10 I11 Q13 L36 I43 C44 H110 | E2-F4 HydrophobicContact CB-CE2 3.77Å; E2-F4 HydrophobicContact CB-CZ 4.25Å; F4-Y10 CarbonylContact O-C 3.56Å; F4-Y10 WeakPolarHBondContact O-CA 3.35Å; F4-I11 HydrophobicContact CB-CB 4.36Å; F4-I11 PolarHBondContact N-O 3.31Å; F4-I11 PolarHBondContact O-N 3.27Å; F4-Q13 HydrophobicContact CE2-CB 4.05Å; F4-L36 HydrophobicContact CB-CD1 4.34Å; F4-L36 HydrophobicContact CD1-CD2 4.26Å; F4-L36 HydrophobicContact CD2-CD1 4.3Å; F4-L36 HydrophobicContact CD2-CD2 4.07Å; F4-L36 HydrophobicContact CE1-CD2 3.95Å; F4-L36 HydrophobicContact CE2-CD2 3.74Å; F4-L36 HydrophobicContact CG-CD1 4.16Å; F4-L36 HydrophobicContact CG-CD2 4.32Å; F4-L36 HydrophobicContact CZ-CD2 3.67Å; F4-I43 CarbonylContact C-O 3.59Å; F4-I43 WeakPolarHBondContact CA-O 3.35Å; F4-C44 HydrophobicContact CD1-CB 3.81Å; F4-C44 HydrophobicContact CE1-CB 3.75Å; F4-H110 AromaticContact CE1-CE1 3.8Å; F4-H110 AromaticContact CE1-ND1 3.9Å; F4-H110 AromaticContact CZ-CE1 3.52Å; F4-H110 AromaticContact CZ-ND1 3.87Å |
| 5 | Q | 90.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 9% | 0.089 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.3 | 167.9 | 176.5 | -174.2 | -15.7 | 0 | 0 | 108.7 | Y10 P42 I43 L45 P99 | Q5-Y10 HydrophobicContact CB-CD1 3.93Å; Q5-Y10 HydrophobicContact CB-CE1 4.03Å; Q5-Y10 HydrophobicContact CG-CD1 4.09Å; Q5-Y10 HydrophobicContact CG-CE1 3.83Å; Q5-P42 WeakPolarHBondContact O-CA 3.26Å; Q5-I43 PolarHBondContact N-O 2.95Å; Q5-I43 PolarHBondContact O-N 2.93Å; Q5-L45 HydrophobicContact CB-CD1 3.79Å; Q5-L45 HydrophobicContact CB-CD2 4.34Å; Q5-L45 HydrophobicContact CB-CG 4.04Å; Q5-P99 VanDerWaalsContact OE1-CG 3.25Å |
| 6 | A | 89.7 | Confident | 91.3 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | trans | -102.3 | 175.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D8 H9 I11 R23 A39 | A6-D8 PolarHBondContact O-N 3.49Å; A6-H9 PolarHBondContact N-O 3.19Å; A6-I11 HydrophobicContact CB-CD1 4.28Å; A6-R23 PolarHBondContact O-NH1 3.3Å; A6-A39 HydrophobicContact CB-CB 3.98Å | ||
| 7 | K | 85.4 | Confident | 91.3 | Very high | 123 Ų | 123 | 43.4 Ų | 43.4 | 54% | 0.535 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -49.3 | -53.9 | 177 | -175.1 | -173 | 169.3 | -163.4 | 0 | 112.8 | R23 W40 | K7-R23 PolarHBondContact O-NH1 3.19Å; K7-W40 HydrophobicContact CB-CB 4.31Å; K7-W40 PolarHBondContact N-O 2.87Å |
| 8 | D | 88.1 | Confident | 91.4 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -107.6 | -3.6 | -171.3 | -63.3 | -87.8 | 0 | 0 | 0 | 114.3 | A6 R23 R24 | A6-D8 PolarHBondContact O-N 3.49Å; D8-R23 WeakPolarHBondContact O-CB 3.42Å; D8-R23 PolarHBondContact O-N 3.38Å; D8-R24 IonicContact OD1-CZ 2.77Å; D8-R24 IonicContact OD1-NE 2.66Å; D8-R24 PolarHBondContact OD1-NE 2.79Å; D8-R24 IonicContact OD1-NH2 3.45Å; D8-R24 PolarHBondContact OD1-NH2 3.47Å |
| 9 | H | 91.9 | Very high | 91.5 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 148.6 | -173.7 | -65.1 | 84.5 | 0 | 0 | 0 | 112.6 | A6 I11 W20 C21 | A6-H9 PolarHBondContact N-O 3.19Å; H9-I11 HydrophobicContact CB-CG1 4.13Å; H9-W20 HydrophobicContact CB-CE3 4.02Å; H9-W20 AromaticContact CD2-CE3 3.9Å; H9-W20 AromaticContact CG-CE3 3.73Å; H9-C21 CarbonylContact C-O 3.55Å; H9-C21 VanDerWaalsContact CA-O 3.26Å; H9-C21 WeakPolarHBondContact CA-O 3.41Å |
| 10 | Y | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 140.9 | 151.2 | -62.7 | -76.4 | 0 | 0 | 0 | 108.5 | F4 Q5 C21 R23 L45 L92 S93 L94 | F4-Y10 CarbonylContact O-C 3.56Å; F4-Y10 WeakPolarHBondContact O-CA 3.35Å; Q5-Y10 HydrophobicContact CB-CD1 3.93Å; Q5-Y10 HydrophobicContact CB-CE1 4.03Å; Q5-Y10 HydrophobicContact CG-CD1 4.09Å; Q5-Y10 HydrophobicContact CG-CE1 3.83Å; Y10-C21 PolarHBondContact N-O 2.85Å; Y10-C21 PolarHBondContact O-N 2.77Å; Y10-R23 HydrophobicContact CD2-CG 3.62Å; Y10-R23 HydrophobicContact CE2-CG 3.62Å; Y10-R23 HydrophobicContact CG-CG 4.35Å; Y10-L45 HydrophobicContact CD1-CD1 4.24Å; Y10-L45 HydrophobicContact CE1-CD1 4.17Å; Y10-L92 HydrophobicContact CD1-CD1 4.09Å; Y10-L92 HydrophobicContact CD2-CD1 4.41Å; Y10-L92 HydrophobicContact CE1-CD1 4.29Å; Y10-L92 HydrophobicContact CE2-CB 4.07Å; Y10-L92 HydrophobicContact CG-CD1 4.14Å; Y10-S93 WeakPolarHBondContact CE2-O 3.47Å; Y10-S93 PolarHBondContact OH-O 3.19Å; Y10-S93 VanDerWaalsContact OH-O 3.05Å; Y10-L94 HydrophobicContact CD2-CD2 3.45Å; Y10-L94 VanDerWaalsContact CD2-CD2 3.45Å; Y10-L94 HydrophobicContact CE2-CD2 3.57Å |
| 11 | I | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.8 | -174.6 | -52.8 | 167 | 0 | 0 | 0 | 108.2 | F4 A6 H9 A18 L19 W20 L36 A39 | F4-I11 HydrophobicContact CB-CB 4.36Å; F4-I11 PolarHBondContact N-O 3.31Å; F4-I11 PolarHBondContact O-N 3.27Å; A6-I11 HydrophobicContact CB-CD1 4.28Å; H9-I11 HydrophobicContact CB-CG1 4.13Å; I11-A18 HydrophobicContact CG2-CB 4.12Å; I11-L19 WeakPolarHBondContact CA-O 3.29Å; I11-W20 HydrophobicContact CD1-CD2 3.92Å; I11-W20 HydrophobicContact CD1-CE3 3.85Å; I11-W20 HydrophobicContact CD1-CH2 3.66Å; I11-W20 HydrophobicContact CD1-CZ2 3.7Å; I11-W20 HydrophobicContact CD1-CZ3 3.73Å; I11-W20 HydrophobicContact CG1-CD2 3.79Å; I11-W20 HydrophobicContact CG1-CE3 3.95Å; I11-W20 HydrophobicContact CG1-CG 4.19Å; I11-W20 HydrophobicContact CG1-CZ2 4.42Å; I11-W20 HydrophobicContact CG1-CZ3 4.34Å; I11-W20 HydrophobicContact CG2-CD2 4.34Å; I11-W20 HydrophobicContact CG2-CG 4.29Å; I11-L36 HydrophobicContact CD1-CD1 3.67Å; I11-L36 HydrophobicContact CG2-CD1 4.34Å; I11-A39 HydrophobicContact CD1-CB 3.8Å |
| 12 | L | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124 | 171.3 | -68.6 | 88.9 | 0 | 0 | 0 | 108.9 | M1 E2 L3 A18 L19 V48 V51 L65 L67 W230 | M1-L12 HydrophobicContact SD-CD2 4.12Å; E2-L12 CarbonylContact O-C 3.57Å; E2-L12 WeakPolarHBondContact O-CA 3.37Å; L3-L12 HydrophobicContact CD1-CD1 4.09Å; L3-L12 HydrophobicContact CD1-CG 3.98Å; L12-A18 CarbonylContact O-C 3.57Å; L12-A18 VanDerWaalsContact O-CA 3.26Å; L12-A18 WeakPolarHBondContact O-CA 3.31Å; L12-L19 HydrophobicContact CB-CB 4.5Å; L12-L19 PolarHBondContact N-O 3.22Å; L12-L19 PolarHBondContact O-N 3.28Å; L12-V48 HydrophobicContact CD2-CG2 3.78Å; L12-V51 HydrophobicContact CD2-CG2 3.79Å; L12-L65 HydrophobicContact CD1-CD2 4.29Å; L12-L67 HydrophobicContact CD1-CD2 4.45Å; L12-L67 HydrophobicContact CD2-CD1 4.24Å; L12-L67 HydrophobicContact CD2-CD2 3.85Å; L12-W230 HydrophobicContact CB-CH2 3.88Å; L12-W230 HydrophobicContact CB-CZ3 3.65Å; L12-W230 HydrophobicContact CD2-CZ3 4.31Å; L12-W230 VanDerWaalsContact O-CH2 3.26Å; L12-W230 WeakPolarHBondContact O-CH2 3.44Å |
| 13 | Q | 92.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.1 | 177 | -171.2 | -173.8 | -10.3 | 0 | 0 | 111.1 | M1 E2 F4 G15 A33 | M1-Q13 CarbonylContact C-O 3.6Å; M1-Q13 WeakPolarHBondContact CA-O 3.4Å; E2-Q13 PolarHBondContact N-O 2.81Å; E2-Q13 PolarHBondContact O-N 3.3Å; F4-Q13 HydrophobicContact CE2-CB 4.05Å; Q13-G15 PolarHBondContact NE2-O 3.39Å; Q13-A33 HydrophobicContact CG-CB 3.98Å |
| 14 | Q | 90.5 | Very high | 90.8 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 40% | 0.397 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 113.2 | 162.4 | -177.1 | 151 | -25.3 | 0 | 0 | 110.7 | M1 E16 R17 F229 | M1-Q14 HydrophobicContact CG-CB 4.16Å; Q14-E16 PolarHBondContact O-N 2.81Å; Q14-R17 PolarHBondContact N-O 2.94Å; Q14-R17 PolarHBondContact O-N 2.93Å; Q14-F229 HydrophobicContact CB-CE1 4.08Å; Q14-F229 HydrophobicContact CB-CZ 4.39Å; Q14-F229 HydrophobicContact CG-CE1 4.2Å; Q14-F229 HydrophobicContact CG-CZ 3.98Å |
| 15 | G | 88 | Confident | 90.3 | Very high | 57 Ų | 57 | 46 Ų | 46 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -127.5 | -171 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q13 A33 | Q13-G15 PolarHBondContact NE2-O 3.39Å; G15-A33 WeakPolarHBondContact O-CB 3.46Å |
| 16 | E | 88.4 | Confident | 89.9 | Confident | 173 Ų | 173 | 45 Ų | 45 | 81% | 0.808 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.3 | -179 | -59.5 | 179.1 | 150.6 | 0 | 0 | 113.6 | Q14 A33 | Q14-E16 PolarHBondContact O-N 2.81Å; E16-A33 WeakPolarHBondContact O-CB 3.25Å; E16-A33 PolarHBondContact O-N 2.73Å |
| 17 | R | 91 | Very high | 89.8 | Confident | 101 Ų | 101 | 46 Ų | 46 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.3 | -179.8 | -66.1 | 178.9 | 173.8 | 132.9 | 1 | 111.4 | Q14 D226 W230 | Q14-R17 PolarHBondContact N-O 2.94Å; Q14-R17 PolarHBondContact O-N 2.93Å; R17-D226 IonicContact CZ-OD1 3.35Å; R17-D226 IonicContact NE-OD1 2.67Å; R17-D226 PolarHBondContact NE-OD1 2.84Å; R17-D226 IonicContact NH2-OD1 2.96Å; R17-D226 PolarHBondContact NH2-OD1 2.92Å; R17-W230 HydrophobicContact CB-CZ2 4.12Å |
| 18 | A | 93.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | I11 L12 R31 | I11-A18 HydrophobicContact CG2-CB 4.12Å; L12-A18 CarbonylContact O-C 3.57Å; L12-A18 VanDerWaalsContact O-CA 3.26Å; L12-A18 WeakPolarHBondContact O-CA 3.31Å; A18-R31 PolarHBondContact N-O 2.66Å; A18-R31 PolarHBondContact O-N 3.27Å |
| 19 | L | 94.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117 | 169.9 | 179 | 67.5 | 0 | 0 | 0 | 108.8 | I11 L12 L28 L30 V51 L219 W230 | I11-L19 WeakPolarHBondContact CA-O 3.29Å; L12-L19 HydrophobicContact CB-CB 4.5Å; L12-L19 PolarHBondContact N-O 3.22Å; L12-L19 PolarHBondContact O-N 3.28Å; L19-L28 HydrophobicContact CD1-CB 4.42Å; L19-L28 HydrophobicContact CD1-CD2 4.12Å; L19-L28 HydrophobicContact CD2-CD2 4.2Å; L19-L28 HydrophobicContact CG-CD2 4.09Å; L19-L30 HydrophobicContact CB-CD2 4.47Å; L19-L30 HydrophobicContact CD1-CD2 3.85Å; L19-V51 HydrophobicContact CD2-CG2 4Å; L19-L219 HydrophobicContact CD1-CD2 3.75Å; L19-L219 HydrophobicContact CD2-CD2 4.2Å; L19-W230 HydrophobicContact CB-CD2 3.81Å; L19-W230 HydrophobicContact CB-CE3 3.94Å; L19-W230 HydrophobicContact CB-CG 4.44Å; L19-W230 HydrophobicContact CB-CH2 4Å; L19-W230 HydrophobicContact CB-CZ2 3.85Å; L19-W230 HydrophobicContact CB-CZ3 4.03Å; L19-W230 HydrophobicContact CD2-CB 4.31Å; L19-W230 HydrophobicContact CD2-CD2 3.97Å; L19-W230 HydrophobicContact CD2-CE3 3.85Å; L19-W230 HydrophobicContact CD2-CG 4.18Å; L19-W230 HydrophobicContact CG-CD2 4.46Å |
| 20 | W | 93.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.2 | -179.6 | -69.4 | 58.3 | 0 | 0 | 0 | 109.2 | H9 I11 L28 Q29 R31 D35 A39 | H9-W20 HydrophobicContact CB-CE3 4.02Å; H9-W20 AromaticContact CD2-CE3 3.9Å; H9-W20 AromaticContact CG-CE3 3.73Å; I11-W20 HydrophobicContact CD1-CD2 3.92Å; I11-W20 HydrophobicContact CD1-CE3 3.85Å; I11-W20 HydrophobicContact CD1-CH2 3.66Å; I11-W20 HydrophobicContact CD1-CZ2 3.7Å; I11-W20 HydrophobicContact CD1-CZ3 3.73Å; I11-W20 HydrophobicContact CG1-CD2 3.79Å; I11-W20 HydrophobicContact CG1-CE3 3.95Å; I11-W20 HydrophobicContact CG1-CG 4.19Å; I11-W20 HydrophobicContact CG1-CZ2 4.42Å; I11-W20 HydrophobicContact CG1-CZ3 4.34Å; I11-W20 HydrophobicContact CG2-CD2 4.34Å; I11-W20 HydrophobicContact CG2-CG 4.29Å; W20-L28 CarbonylContact O-C 3.53Å; W20-L28 WeakPolarHBondContact O-CA 3.36Å; W20-Q29 HydrophobicContact CB-CB 4.44Å; W20-Q29 PolarHBondContact N-O 3.26Å; W20-Q29 PolarHBondContact O-N 2.7Å; W20-R31 HydrophobicContact CG-CG 4.31Å; W20-D35 WeakPolarHBondContact CH2-O 3.46Å; W20-D35 HydrophobicContact CZ2-CB 3.86Å; W20-D35 VanDerWaalsContact CZ2-O 3.31Å; W20-D35 WeakPolarHBondContact CZ2-O 3.26Å; W20-A39 HydrophobicContact CH2-CB 3.82Å; W20-A39 HydrophobicContact CZ3-CB 4.35Å |
| 21 | C | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.7 | 175.9 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | H9 Y10 G27 L28 L65 L94 | H9-C21 CarbonylContact C-O 3.55Å; H9-C21 VanDerWaalsContact CA-O 3.26Å; H9-C21 WeakPolarHBondContact CA-O 3.41Å; Y10-C21 PolarHBondContact N-O 2.85Å; Y10-C21 PolarHBondContact O-N 2.77Å; C21-G27 WeakPolarHBondContact CA-O 3.39Å; C21-L28 HydrophobicContact CB-CD2 3.56Å; C21-L65 HydrophobicContact CB-CD2 3.94Å; C21-L94 VanDerWaalsContact SG-CD1 3.55Å |
| 22 | S | 90.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.2 | -179.6 | 157.3 | 0 | 0 | 0 | 0 | 111.8 | R24 D25 G26 G27 | S22-R24 PolarHBondContact O-N 3.31Å; S22-R24 PolarHBondContact OG-N 3.1Å; S22-D25 WeakPolarHBondContact CB-OD1 3.39Å; S22-D25 PolarHBondContact OG-N 3.45Å; S22-D25 PolarHBondContact OG-OD1 3.11Å; S22-G26 WeakPolarHBondContact O-CA 3.35Å; S22-G26 PolarHBondContact O-N 3.08Å; S22-G27 PolarHBondContact N-O 2.92Å |
| 23 | R | 88.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.045 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.4 | 175.5 | -67.4 | 175.7 | 64.4 | -158.9 | -2.2 | 113.2 | A6 K7 D8 Y10 L94 S95 E96 M97 | A6-R23 PolarHBondContact O-NH1 3.3Å; K7-R23 PolarHBondContact O-NH1 3.19Å; D8-R23 WeakPolarHBondContact O-CB 3.42Å; D8-R23 PolarHBondContact O-N 3.38Å; Y10-R23 HydrophobicContact CD2-CG 3.62Å; Y10-R23 HydrophobicContact CE2-CG 3.62Å; Y10-R23 HydrophobicContact CG-CG 4.35Å; R23-L94 CarbonylContact O-C 3.57Å; R23-L94 VanDerWaalsContact O-C 3.25Å; R23-S95 VanDerWaalsContact CZ-O 3.32Å; R23-S95 PolarHBondContact NE-O 3.27Å; R23-S95 PolarHBondContact NH2-O 3.49Å; R23-S95 WeakPolarHBondContact O-CA 3.45Å; R23-S95 PolarHBondContact O-N 3.42Å; R23-E96 PolarHBondContact NH2-O 3.14Å; R23-M97 PolarHBondContact NH2-O 2.93Å |
| 24 | R | 82.1 | Confident | 89.2 | Confident | 145 Ų | 145 | 54.7 Ų | 54.7 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -51 | -177.8 | -63.8 | -175.7 | 176.4 | -71.3 | -13.1 | 113 | D8 S22 E96 | D8-R24 IonicContact OD1-CZ 2.77Å; D8-R24 IonicContact OD1-NE 2.66Å; D8-R24 PolarHBondContact OD1-NE 2.79Å; D8-R24 IonicContact OD1-NH2 3.45Å; D8-R24 PolarHBondContact OD1-NH2 3.47Å; S22-R24 PolarHBondContact O-N 3.31Å; S22-R24 PolarHBondContact OG-N 3.1Å; R24-E96 IonicContact CZ-OE1 3.56Å; R24-E96 IonicContact NH1-OE1 3.68Å; R24-E96 PolarHBondContact NH1-OE1 3.36Å; R24-E96 IonicContact NH2-OE1 3.94Å; R24-E96 PolarHBondContact NH2-OE1 3.35Å |
| 25 | D | 81.5 | Confident | 89.1 | Confident | 104 Ų | 104 | 52.2 Ų | 52.2 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -10.2 | -174.4 | 55.8 | 16.3 | 0 | 0 | 0 | 113.4 | S22 G27 | S22-D25 WeakPolarHBondContact CB-OD1 3.39Å; S22-D25 PolarHBondContact OG-N 3.45Å; S22-D25 PolarHBondContact OG-OD1 3.11Å; D25-G27 VanDerWaalsContact C-N 3.29Å; D25-G27 PolarHBondContact OD1-N 3.24Å |
| 26 | G | 83.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | 73.4 | 15.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S22 K54 | S22-G26 WeakPolarHBondContact O-CA 3.35Å; S22-G26 PolarHBondContact O-N 3.08Å; G26-K54 WeakPolarHBondContact O-CD 3.35Å; G26-K54 PolarHBondContact O-NZ 3.25Å | ||
| 27 | G | 87.6 | Confident | 89 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | trans | -63.2 | 140.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C21 S22 D25 | C21-G27 WeakPolarHBondContact CA-O 3.39Å; S22-G27 PolarHBondContact N-O 2.92Å; D25-G27 VanDerWaalsContact C-N 3.29Å; D25-G27 PolarHBondContact OD1-N 3.24Å | ||
| 28 | L | 90.2 | Very high | 88.7 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.2 | 178 | -74.6 | 163.1 | 0 | 0 | 0 | 110.9 | L19 W20 C21 D218 L219 | L19-L28 HydrophobicContact CD1-CB 4.42Å; L19-L28 HydrophobicContact CD1-CD2 4.12Å; L19-L28 HydrophobicContact CD2-CD2 4.2Å; L19-L28 HydrophobicContact CG-CD2 4.09Å; W20-L28 CarbonylContact O-C 3.53Å; W20-L28 WeakPolarHBondContact O-CA 3.36Å; C21-L28 HydrophobicContact CB-CD2 3.56Å; L28-D218 HydrophobicContact CB-CB 4.17Å; L28-D218 HydrophobicContact CD1-CB 4.03Å; L28-L219 HydrophobicContact CB-CD2 4.06Å; L28-L219 HydrophobicContact CD1-CD2 3.95Å; L28-L219 HydrophobicContact CD1-CG 4.05Å; L28-L219 HydrophobicContact CG-CD2 4.46Å |
| 29 | Q | 90 | Very high | 88.4 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.8 | -178.9 | -64.4 | -177.9 | 0.9 | 0 | 0 | 110.9 | W20 | W20-Q29 HydrophobicContact CB-CB 4.44Å; W20-Q29 PolarHBondContact N-O 3.26Å; W20-Q29 PolarHBondContact O-N 2.7Å |
| 30 | L | 90.8 | Very high | 87.9 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.3 | 168.8 | -66.8 | 173.2 | 0 | 0 | 0 | 110.3 | L19 I222 T224 D226 V227 W230 | L19-L30 HydrophobicContact CB-CD2 4.47Å; L19-L30 HydrophobicContact CD1-CD2 3.85Å; L30-I222 HydrophobicContact CD1-CG2 4.18Å; L30-T224 WeakPolarHBondContact CD1-OG1 3.23Å; L30-D226 HydrophobicContact CD1-CB 4.17Å; L30-V227 HydrophobicContact CD1-CB 3.76Å; L30-V227 HydrophobicContact CD1-CG2 4.02Å; L30-W230 VanDerWaalsContact CD2-CD1 3.49Å; L30-W230 HydrophobicContact CD2-CG 4.43Å |
| 31 | R | 89.8 | Confident | 87.5 | Confident | 83 Ų | 83 | 66.4 Ų | 66.4 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 159.4 | 172.6 | -58.9 | -169.4 | -173.9 | -162.7 | 1.5 | 110.8 | A18 W20 D35 | A18-R31 PolarHBondContact N-O 2.66Å; A18-R31 PolarHBondContact O-N 3.27Å; W20-R31 HydrophobicContact CG-CG 4.31Å; R31-D35 HydrophobicContact CB-CB 4.19Å |
| 32 | P | 88.9 | Confident | 87.2 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 151.2 | 164.7 | -24.1 | 35.7 | 0 | 0 | 0 | 111.8 | T34 D35 | P32-T34 WeakPolarHBondContact CB-OG1 3.25Å; P32-T34 PolarHBondContact O-N 2.7Å; P32-D35 WeakPolarHBondContact O-CB 3.46Å; P32-D35 PolarHBondContact O-N 2.95Å |
| 33 | A | 87.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -65.5 | -22.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q13 G15 E16 D35 L36 | Q13-A33 HydrophobicContact CG-CB 3.98Å; G15-A33 WeakPolarHBondContact O-CB 3.46Å; E16-A33 WeakPolarHBondContact O-CB 3.25Å; E16-A33 PolarHBondContact O-N 2.73Å; A33-D35 PolarHBondContact O-N 2.7Å; A33-L36 WeakPolarHBondContact O-CB 3.45Å; A33-L36 PolarHBondContact O-N 3.32Å |
| 34 | T | 89.1 | Confident | 87.3 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -59.1 | -31.1 | 173.5 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | P32 L36 L37 | P32-T34 WeakPolarHBondContact CB-OG1 3.25Å; P32-T34 PolarHBondContact O-N 2.7Å; T34-L36 PolarHBondContact O-N 2.86Å; T34-L36 VanDerWaalsContact O-N 3.09Å; T34-L37 WeakPolarHBondContact O-CB 3.27Å; T34-L37 WeakPolarHBondContact O-CG 3.47Å; T34-L37 PolarHBondContact O-N 2.83Å; T34-L37 VanDerWaalsContact O-N 3.09Å |
| 35 | D | 90 | Very high | 87.6 | Confident | 34 Ų | 34 | 67 Ų | 67 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -66.4 | -13.1 | -177.6 | -66.1 | 30.2 | 0 | 0 | 0 | 112.4 | W20 R31 P32 A33 L37 L38 A39 | W20-D35 WeakPolarHBondContact CH2-O 3.46Å; W20-D35 HydrophobicContact CZ2-CB 3.86Å; W20-D35 VanDerWaalsContact CZ2-O 3.31Å; W20-D35 WeakPolarHBondContact CZ2-O 3.26Å; R31-D35 HydrophobicContact CB-CB 4.19Å; P32-D35 WeakPolarHBondContact O-CB 3.46Å; P32-D35 PolarHBondContact O-N 2.95Å; A33-D35 PolarHBondContact O-N 2.7Å; D35-L37 PolarHBondContact O-N 3.41Å; D35-L38 HydrophobicContact CB-CD1 4.36Å; D35-L38 WeakPolarHBondContact O-CA 3.02Å; D35-L38 VanDerWaalsContact O-CB 3.28Å; D35-L38 WeakPolarHBondContact O-CB 3.49Å; D35-L38 PolarHBondContact O-N 3.18Å; D35-A39 PolarHBondContact O-N 2.95Å |
| 36 | L | 87.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -58.5 | -26.6 | 171.7 | -173.2 | 63.1 | 0 | 0 | 0 | 111.7 | F4 I11 A33 T34 L38 A39 P42 | F4-L36 HydrophobicContact CB-CD1 4.34Å; F4-L36 HydrophobicContact CD1-CD2 4.26Å; F4-L36 HydrophobicContact CD2-CD1 4.3Å; F4-L36 HydrophobicContact CD2-CD2 4.07Å; F4-L36 HydrophobicContact CE1-CD2 3.95Å; F4-L36 HydrophobicContact CE2-CD2 3.74Å; F4-L36 HydrophobicContact CG-CD1 4.16Å; F4-L36 HydrophobicContact CG-CD2 4.32Å; F4-L36 HydrophobicContact CZ-CD2 3.67Å; I11-L36 HydrophobicContact CD1-CD1 3.67Å; I11-L36 HydrophobicContact CG2-CD1 4.34Å; A33-L36 WeakPolarHBondContact O-CB 3.45Å; A33-L36 PolarHBondContact O-N 3.32Å; T34-L36 PolarHBondContact O-N 2.86Å; T34-L36 VanDerWaalsContact O-N 3.09Å; L36-L38 PolarHBondContact O-N 2.57Å; L36-A39 HydrophobicContact CD1-CB 4.31Å; L36-A39 VanDerWaalsContact O-CB 3.29Å; L36-A39 WeakPolarHBondContact O-CB 3.41Å; L36-A39 PolarHBondContact O-N 2.81Å; L36-P42 HydrophobicContact CD1-CB 3.75Å; L36-P42 HydrophobicContact CD1-CG 4.24Å; L36-P42 HydrophobicContact CG-CB 4.45Å; L36-P42 HydrophobicContact CG-CG 4.46Å |
| 37 | L | 84.6 | Confident | 88.5 | Confident | 160 Ų | 160 | 65 Ų | 65 | 84% | 0.838 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -68.3 | -19 | 172 | -60.9 | 175.5 | 0 | 0 | 0 | 113.4 | T34 D35 | T34-L37 WeakPolarHBondContact O-CB 3.27Å; T34-L37 WeakPolarHBondContact O-CG 3.47Å; T34-L37 PolarHBondContact O-N 2.83Å; T34-L37 VanDerWaalsContact O-N 3.09Å; D35-L37 PolarHBondContact O-N 3.41Å |
| 38 | L | 86.3 | Confident | 88.9 | Confident | 134 Ų | 134 | 64 Ų | 64 | 70% | 0.702 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -90.8 | -7 | 175.1 | -51 | 176.3 | 0 | 0 | 0 | 112.2 | D35 L36 | D35-L38 HydrophobicContact CB-CD1 4.36Å; D35-L38 WeakPolarHBondContact O-CA 3.02Å; D35-L38 VanDerWaalsContact O-CB 3.28Å; D35-L38 WeakPolarHBondContact O-CB 3.49Å; D35-L38 PolarHBondContact O-N 3.18Å; L36-L38 PolarHBondContact O-N 2.57Å |
| 39 | A | 85.8 | Confident | 89.1 | Confident | 13 Ų | 13 | 67 Ų | 67 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -74.1 | 136 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A6 I11 W20 D35 L36 N41 P42 | A6-A39 HydrophobicContact CB-CB 3.98Å; I11-A39 HydrophobicContact CD1-CB 3.8Å; W20-A39 HydrophobicContact CH2-CB 3.82Å; W20-A39 HydrophobicContact CZ3-CB 4.35Å; D35-A39 PolarHBondContact O-N 2.95Å; L36-A39 HydrophobicContact CD1-CB 4.31Å; L36-A39 VanDerWaalsContact O-CB 3.29Å; L36-A39 WeakPolarHBondContact O-CB 3.41Å; L36-A39 PolarHBondContact O-N 2.81Å; A39-N41 PolarHBondContact O-N 2.84Å; A39-P42 HydrophobicContact CB-CB 4.07Å; A39-P42 HydrophobicContact CB-CG 4.19Å; A39-P42 WeakPolarHBondContact O-CD 3.26Å |
| 40 | W | 84.6 | Confident | 89.2 | Confident | 196 Ų | 196 | 62.6 Ų | 62.6 | 74% | 0.742 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -76.4 | 112 | 173.9 | -173.7 | -86.6 | 0 | 0 | 0 | 111 | K7 | K7-W40 HydrophobicContact CB-CB 4.31Å; K7-W40 PolarHBondContact N-O 2.87Å |
| 41 | N | 83.7 | Confident | 89.4 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 49.7 | 65.1 | 177.7 | -166.2 | 43.1 | 0 | 0 | 0 | 114.1 | A39 I43 | A39-N41 PolarHBondContact O-N 2.84Å; N41-I43 PolarHBondContact O-N 2.93Å |
| 42 | P | 88.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 32% | 0.318 | 30% | 0.298 | S | S | . | . | trans | -74.5 | 108.8 | -178.6 | 30.4 | -33.3 | 0 | 0 | 0 | 111.5 | Q5 L36 A39 | Q5-P42 WeakPolarHBondContact O-CA 3.26Å; L36-P42 HydrophobicContact CD1-CB 3.75Å; L36-P42 HydrophobicContact CD1-CG 4.24Å; L36-P42 HydrophobicContact CG-CB 4.45Å; L36-P42 HydrophobicContact CG-CG 4.46Å; A39-P42 HydrophobicContact CB-CB 4.07Å; A39-P42 HydrophobicContact CB-CG 4.19Å; A39-P42 WeakPolarHBondContact O-CD 3.26Å | ||
| 43 | I | 88.8 | Confident | 89.9 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126 | 175.3 | -59.9 | 172.7 | 0 | 0 | 0 | 108.6 | F4 Q5 N41 L45 | F4-I43 CarbonylContact C-O 3.59Å; F4-I43 WeakPolarHBondContact CA-O 3.35Å; Q5-I43 PolarHBondContact N-O 2.95Å; Q5-I43 PolarHBondContact O-N 2.93Å; N41-I43 PolarHBondContact O-N 2.93Å; I43-L45 PolarHBondContact O-N 3.32Å |
| 44 | C | 90.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.095 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123.6 | 171.7 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | F4 H110 H111 | F4-C44 HydrophobicContact CD1-CB 3.81Å; F4-C44 HydrophobicContact CE1-CB 3.75Å; C44-H110 HydrophobicContact CB-CB 3.6Å; C44-H111 PolarHBondContact O-CE1 2.92Å; C44-H111 PolarHBondContact O-NE2 3.05Å |
| 45 | L | 89.4 | Confident | 90.1 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -20.3 | 176.5 | -64.5 | 177.5 | 0 | 0 | 0 | 112.3 | L3 Q5 Y10 I43 P99 L102 L104 | L3-L45 HydrophobicContact CD2-CB 4.05Å; L3-L45 HydrophobicContact CD2-CD1 3.88Å; L3-L45 HydrophobicContact CG-CB 4.19Å; L3-L45 HydrophobicContact CG-CD1 4.13Å; L3-L45 PolarHBondContact O-N 3.09Å; Q5-L45 HydrophobicContact CB-CD1 3.79Å; Q5-L45 HydrophobicContact CB-CD2 4.34Å; Q5-L45 HydrophobicContact CB-CG 4.04Å; Y10-L45 HydrophobicContact CD1-CD1 4.24Å; Y10-L45 HydrophobicContact CE1-CD1 4.17Å; I43-L45 PolarHBondContact O-N 3.32Å; L45-P99 HydrophobicContact CD1-CG 4.39Å; L45-L102 HydrophobicContact CD1-CD1 3.84Å; L45-L104 HydrophobicContact CB-CD1 4.1Å |
| 46 | G | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.2 | -151.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L3 E105 | L3-G46 PolarHBondContact N-O 3.42Å; G46-E105 CarbonylContact C-O 3.52Å; G46-E105 WeakPolarHBondContact CA-O 2.98Å |
| 47 | L | 92.4 | Very high | 89 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 144.4 | -177 | -59.6 | 177.1 | 0 | 0 | 0 | 112.2 | M1 E2 E105 C107 | M1-L47 WeakPolarHBondContact O-CA 3.19Å; E2-L47 HydrophobicContact CG-CD2 3.77Å; L47-E105 WeakPolarHBondContact CB-O 3.47Å; L47-E105 WeakPolarHBondContact CG-O 3.32Å; L47-E105 PolarHBondContact N-O 3.21Å; L47-C107 HydrophobicContact CD2-CB 3.89Å; L47-C107 HydrophobicContact CG-CB 4.22Å |
| 48 | V | 94.8 | Very high | 88.3 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | trans | -136.7 | 155.6 | 171.9 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | M1 L3 L12 L67 L104 | M1-V48 HydrophobicContact CB-CG2 3.93Å; M1-V48 WeakPolarHBondContact CB-O 3.28Å; M1-V48 PolarHBondContact N-O 3.09Å; M1-V48 PolarHBondContact O-N 2.66Å; L3-V48 HydrophobicContact CB-CG1 4.43Å; L3-V48 HydrophobicContact CB-CG2 4.43Å; L3-V48 HydrophobicContact CD2-CG1 4.3Å; L12-V48 HydrophobicContact CD2-CG2 3.78Å; V48-L67 HydrophobicContact CB-CB 4.48Å; V48-L67 HydrophobicContact CG1-CB 4.32Å; V48-L67 HydrophobicContact CG1-CD1 4.13Å; V48-L67 HydrophobicContact CG2-CD1 4.33Å; V48-L104 HydrophobicContact CG1-CD1 4.32Å; V48-L104 HydrophobicContact CG1-CD2 4.14Å | ||
| 49 | E | 93.8 | Very high | 87.5 | Confident | 77 Ų | 77 | 41.9 Ų | 41.9 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | trans | -93.3 | -21.9 | -172.8 | -76.6 | -73.4 | -176 | 0 | 0 | 114.1 | I68 K71 | E49-I68 HydrophobicContact CB-CB 3.91Å; E49-I68 HydrophobicContact CB-CG2 3.71Å; E49-I68 PolarHBondContact N-O 2.86Å; E49-K71 HydrophobicContact CB-CD 4.39Å; E49-K71 VanDerWaalsContact CD-CE 3.42Å; E49-K71 HydrophobicContact CG-CD 4.02Å; E49-K71 HydrophobicContact CG-CG 4.26Å; E49-K71 VanDerWaalsContact OE1-CE 3.32Å; E49-K71 WeakPolarHBondContact OE1-CE 3.42Å; E49-K71 IonicContact OE1-NZ 2.86Å; E49-K71 PolarHBondContact OE1-NZ 3.1Å; E49-K71 VanDerWaalsContact OE2-CE 3.26Å; E49-K71 WeakPolarHBondContact OE2-CE 3.37Å; E49-K71 IonicContact OE2-NZ 2.81Å; E49-K71 PolarHBondContact OE2-NZ 3.16Å | ||
| 50 | G | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | 169.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L67 I68 | G50-L67 CarbonylContact O-C 3.48Å; G50-L67 WeakPolarHBondContact O-CA 3.47Å; G50-I68 PolarHBondContact O-N 3.43Å |
| 51 | V | 94.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.3 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | L12 L19 L65 L67 W230 | L12-V51 HydrophobicContact CD2-CG2 3.79Å; L19-V51 HydrophobicContact CD2-CG2 4Å; V51-L65 HydrophobicContact CG1-CD1 4.32Å; V51-L67 HydrophobicContact CB-CD2 4.31Å; V51-L67 HydrophobicContact CG1-CD2 4.37Å; V51-L67 HydrophobicContact CG2-CD2 3.91Å; V51-W230 HydrophobicContact CG2-CE3 4.29Å |
| 52 | I | 95.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -38 | 170 | -58.7 | -170.2 | 0 | 0 | 0 | 109.8 | I66 I68 I89 F170 N212 M215 I216 M234 | I52-I66 HydrophobicContact CB-CB 4.32Å; I52-I66 HydrophobicContact CB-CG2 3.98Å; I52-I66 WeakPolarHBondContact CB-O 3.21Å; I52-I66 HydrophobicContact CD1-CG2 4.06Å; I52-I66 HydrophobicContact CG1-CG2 4.37Å; I52-I66 HydrophobicContact CG2-CG2 4.35Å; I52-I66 PolarHBondContact N-O 2.74Å; I52-I68 HydrophobicContact CD1-CG1 3.9Å; I52-I68 HydrophobicContact CG1-CD1 4.4Å; I52-I68 HydrophobicContact CG1-CG1 3.54Å; I52-I89 HydrophobicContact CD1-CG2 3.49Å; I52-I89 VanDerWaalsContact CD1-CG2 3.49Å; I52-F170 HydrophobicContact CD1-CD1 4.1Å; I52-F170 HydrophobicContact CD1-CE1 3.64Å; I52-F170 HydrophobicContact CD1-CZ 4.14Å; I52-F170 HydrophobicContact CG2-CE1 4.3Å; I52-F170 HydrophobicContact CG2-CZ 4.01Å; I52-N212 HydrophobicContact CG2-CB 4.44Å; I52-N212 PolarHBondContact O-ND2 2.81Å; I52-N212 VanDerWaalsContact O-ND2 3.17Å; I52-M215 HydrophobicContact CG2-CE 4.03Å; I52-M215 HydrophobicContact CG2-SD 4.41Å; I52-I216 VanDerWaalsContact O-CG2 3.27Å; I52-I216 WeakPolarHBondContact O-CG2 3.17Å; I52-M234 HydrophobicContact CB-SD 4.33Å; I52-M234 HydrophobicContact CD1-CE 4.36Å; I52-M234 HydrophobicContact CD1-SD 4.42Å; I52-M234 HydrophobicContact CG1-CE 4.49Å; I52-M234 HydrophobicContact CG1-SD 4.03Å; I52-M234 HydrophobicContact CG2-SD 3.92Å |
| 53 | G | 93.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.9 | -170.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I66 M215 | G53-I66 PolarHBondContact N-O 2.71Å; G53-I66 WeakPolarHBondContact O-CA 3.29Å; G53-I66 WeakPolarHBondContact O-CB 3.47Å; G53-I66 PolarHBondContact O-N 3.32Å; G53-M215 CarbonylContact C-O 3.5Å; G53-M215 WeakPolarHBondContact CA-O 3.46Å |
| 54 | K | 91.5 | Very high | 85.7 | Confident | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 161.4 | 170.3 | 67.1 | 176.4 | -169.3 | -169.8 | 0 | 111.5 | G26 W63 W64 M215 D218 | G26-K54 WeakPolarHBondContact O-CD 3.35Å; G26-K54 PolarHBondContact O-NZ 3.25Å; K54-W63 HydrophobicContact CB-CE3 4.01Å; K54-W63 HydrophobicContact CB-CZ3 4.48Å; K54-W63 HydrophobicContact CD-CD2 4.09Å; K54-W63 HydrophobicContact CD-CE3 3.53Å; K54-W63 HydrophobicContact CD-CZ3 3.84Å; K54-W63 HydrophobicContact CG-CE3 3.6Å; K54-W63 HydrophobicContact CG-CZ3 3.71Å; K54-W64 CarbonylContact C-O 3.49Å; K54-W64 WeakPolarHBondContact CA-O 3.43Å; K54-M215 PolarHBondContact N-O 2.85Å; K54-M215 WeakPolarHBondContact O-CA 3.23Å; K54-M215 WeakPolarHBondContact O-CB 3.47Å; K54-D218 WeakPolarHBondContact CE-OD1 3.14Å; K54-D218 IonicContact NZ-OD1 2.75Å; K54-D218 PolarHBondContact NZ-OD1 2.91Å; K54-D218 IonicContact NZ-OD2 2.79Å; K54-D218 PolarHBondContact NZ-OD2 3.08Å |
| 55 | I | 88.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.4 | 176.3 | -160.2 | 168.8 | 0 | 0 | 0 | 109.7 | W63 W64 I66 L564 M565 | I55-W63 VanDerWaalsContact C-CE3 3.4Å; I55-W64 HydrophobicContact CG2-CB 4.05Å; I55-W64 PolarHBondContact N-O 3.01Å; I55-W64 PolarHBondContact O-N 3.14Å; I55-I66 HydrophobicContact CB-CD1 4.24Å; I55-I66 HydrophobicContact CG2-CD1 3.71Å; I55-I66 HydrophobicContact CG2-CG1 4.48Å; I55-L564 HydrophobicContact CD1-CB 3.79Å; I55-L564 HydrophobicContact CG1-CB 4.18Å; I55-M565 HydrophobicContact CD1-CG 3.87Å |
| 56 | Q | 83.3 | Confident | 86 | Confident | 56 Ų | 56 | 29.8 Ų | 29.8 | 26% | 0.262 | 16% | 0.156 | S | C | . | . | trans | -120 | 130.3 | 169.6 | -153.3 | -172.7 | 11.8 | 0 | 0 | 108.5 | H58 S59 L61 W63 | Q56-H58 WeakPolarHBondContact CG-O 3.44Å; Q56-H58 PolarHBondContact NE2-O 3.25Å; Q56-S59 PolarHBondContact NE2-O 3.48Å; Q56-L61 WeakPolarHBondContact CG-O 3.2Å; Q56-L61 PolarHBondContact NE2-O 2.96Å; Q56-W63 HydrophobicContact CB-CD2 3.72Å; Q56-W63 HydrophobicContact CB-CE3 3.79Å; Q56-W63 HydrophobicContact CB-CG 4.32Å; Q56-W63 HydrophobicContact CB-CH2 4.06Å; Q56-W63 HydrophobicContact CB-CZ2 3.99Å; Q56-W63 HydrophobicContact CB-CZ3 3.96Å; Q56-W63 HydrophobicContact CG-CD2 4.07Å; Q56-W63 HydrophobicContact CG-CG 4.19Å | ||
| 57 | L | 71.8 | Confident | 86.1 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -83.8 | -25.7 | -177 | -56.6 | -176.1 | 0 | 0 | 0 | 113.3 | L61 W64 E159 L162 L564 | L57-L61 HydrophobicContact CB-CD1 4.06Å; L57-W64 HydrophobicContact CD1-CE3 4.28Å; L57-W64 HydrophobicContact CD1-CH2 3.59Å; L57-W64 HydrophobicContact CD1-CZ2 3.98Å; L57-W64 HydrophobicContact CD1-CZ3 3.74Å; L57-W64 HydrophobicContact CG-CZ3 4.46Å; L57-E159 HydrophobicContact CD1-CB 4.3Å; L57-E159 HydrophobicContact CD1-CG 3.97Å; L57-L162 HydrophobicContact CB-CD1 4.36Å; L57-L162 HydrophobicContact CD1-CB 4.24Å; L57-L162 HydrophobicContact CD1-CD1 4.26Å; L57-L162 HydrophobicContact CD2-CB 4.37Å; L57-L162 HydrophobicContact CD2-CD1 4.3Å; L57-L564 HydrophobicContact CD2-CD1 3.77Å |
| 58 | H | 71.2 | Confident | 86.3 | Confident | 52 Ų | 52 | 26.9 Ų | 26.9 | 24% | 0.241 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -164.7 | 151.4 | -179.4 | -164.8 | -68.4 | 0 | 0 | 0 | 107.8 | Q56 D60 L61 Y575 | Q56-H58 WeakPolarHBondContact CG-O 3.44Å; Q56-H58 PolarHBondContact NE2-O 3.25Å; H58-D60 IonicContact CE1-OD1 3.58Å; H58-D60 PolarHBondContact CE1-OD1 3.41Å; H58-D60 IonicContact CE1-OD2 3.94Å; H58-D60 PolarHBondContact CE1-OD2 3.06Å; H58-D60 VanDerWaalsContact CE1-OD2 3.31Å; H58-D60 PolarHBondContact ND1-N 3.19Å; H58-D60 IonicContact ND1-OD1 2.62Å; H58-D60 PolarHBondContact ND1-OD1 2.78Å; H58-D60 IonicContact ND1-OD2 3.97Å; H58-D60 PolarHBondContact O-N 2.87Å; H58-D60 VanDerWaalsContact O-N 3.15Å; H58-L61 HydrophobicContact CB-CB 4.31Å; H58-L61 HydrophobicContact CB-CD1 3.89Å; H58-L61 HydrophobicContact CB-CG 4.04Å; H58-L61 PolarHBondContact O-N 3.06Å; H58-Y575 PolarHBondContact CD2-OH 3.34Å; H58-Y575 VanDerWaalsContact CD2-OH 3.32Å; H58-Y575 AromaticContact NE2-CE2 3.86Å; H58-Y575 AromaticContact NE2-CZ 3.83Å; H58-Y575 PolarHBondContact NE2-OH 3.38Å |
| 59 | S | 69.2 | Low | 86.2 | Confident | 88 Ų | 88 | 28.8 Ų | 28.8 | 62% | 0.615 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | -43 | 176.6 | 44.9 | 0 | 0 | 0 | 0 | 114.4 | Q56 L61 | Q56-S59 PolarHBondContact NE2-O 3.48Å; S59-L61 VanDerWaalsContact C-N 3.3Å; S59-L61 PolarHBondContact O-N 2.73Å |
| 60 | D | 68.1 | Low | 86.1 | Confident | 102 Ų | 102 | 27.5 Ų | 27.5 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.7 | -174.6 | -27.5 | -16 | 0 | 0 | 0 | 113.3 | H58 K155 | H58-D60 IonicContact CE1-OD1 3.58Å; H58-D60 PolarHBondContact CE1-OD1 3.41Å; H58-D60 IonicContact CE1-OD2 3.94Å; H58-D60 PolarHBondContact CE1-OD2 3.06Å; H58-D60 VanDerWaalsContact CE1-OD2 3.31Å; H58-D60 PolarHBondContact ND1-N 3.19Å; H58-D60 IonicContact ND1-OD1 2.62Å; H58-D60 PolarHBondContact ND1-OD1 2.78Å; H58-D60 IonicContact ND1-OD2 3.97Å; H58-D60 PolarHBondContact O-N 2.87Å; H58-D60 VanDerWaalsContact O-N 3.15Å; D60-K155 IonicContact OD2-NZ 2.7Å; D60-K155 PolarHBondContact OD2-NZ 2.75Å |
| 61 | L | 73.5 | Confident | 86.2 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -106.8 | 148.8 | -178.4 | -70.3 | 178.1 | 0 | 0 | 0 | 110.7 | Q56 L57 H58 S59 E159 | Q56-L61 WeakPolarHBondContact CG-O 3.2Å; Q56-L61 PolarHBondContact NE2-O 2.96Å; L57-L61 HydrophobicContact CB-CD1 4.06Å; H58-L61 HydrophobicContact CB-CB 4.31Å; H58-L61 HydrophobicContact CB-CD1 3.89Å; H58-L61 HydrophobicContact CB-CG 4.04Å; H58-L61 PolarHBondContact O-N 3.06Å; S59-L61 VanDerWaalsContact C-N 3.3Å; S59-L61 PolarHBondContact O-N 2.73Å; L61-E159 HydrophobicContact CD1-CB 4.34Å |
| 62 | P | 76.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 28% | 0.279 | 17% | 0.173 | S | C | . | . | trans | -61.3 | 146.8 | 178 | 26.2 | -34.4 | 0 | 0 | 0 | 111.4 | L94 | P62-L94 VanDerWaalsContact CB-O 3.29Å; P62-L94 WeakPolarHBondContact CB-O 3.23Å | ||
| 63 | W | 86.1 | Confident | 86.3 | Confident | 57 Ų | 57 | 37.7 Ų | 37.7 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | trans | -60.6 | 147.1 | 165.6 | -77.3 | 90.5 | 0 | 0 | 0 | 110.3 | K54 I55 Q56 L94 | K54-W63 HydrophobicContact CB-CE3 4.01Å; K54-W63 HydrophobicContact CB-CZ3 4.48Å; K54-W63 HydrophobicContact CD-CD2 4.09Å; K54-W63 HydrophobicContact CD-CE3 3.53Å; K54-W63 HydrophobicContact CD-CZ3 3.84Å; K54-W63 HydrophobicContact CG-CE3 3.6Å; K54-W63 HydrophobicContact CG-CZ3 3.71Å; I55-W63 VanDerWaalsContact C-CE3 3.4Å; Q56-W63 HydrophobicContact CB-CD2 3.72Å; Q56-W63 HydrophobicContact CB-CE3 3.79Å; Q56-W63 HydrophobicContact CB-CG 4.32Å; Q56-W63 HydrophobicContact CB-CH2 4.06Å; Q56-W63 HydrophobicContact CB-CZ2 3.99Å; Q56-W63 HydrophobicContact CB-CZ3 3.96Å; Q56-W63 HydrophobicContact CG-CD2 4.07Å; Q56-W63 HydrophobicContact CG-CG 4.19Å; W63-L94 HydrophobicContact CB-CB 4.31Å; W63-L94 HydrophobicContact CB-CD1 3.8Å; W63-L94 HydrophobicContact CB-CG 4.31Å; W63-L94 WeakPolarHBondContact O-CA 3.24Å; W63-L94 WeakPolarHBondContact O-CB 3.36Å; W63-L94 WeakPolarHBondContact O-CG 3.25Å; W63-L94 PolarHBondContact O-N 2.85Å | ||
| 64 | W | 89 | Confident | 86.4 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.5 | 175.8 | -69.3 | 3.4 | 0 | 0 | 0 | 110 | K54 I55 L57 V91 L92 E159 L163 | K54-W64 CarbonylContact C-O 3.49Å; K54-W64 WeakPolarHBondContact CA-O 3.43Å; I55-W64 HydrophobicContact CG2-CB 4.05Å; I55-W64 PolarHBondContact N-O 3.01Å; I55-W64 PolarHBondContact O-N 3.14Å; L57-W64 HydrophobicContact CD1-CE3 4.28Å; L57-W64 HydrophobicContact CD1-CH2 3.59Å; L57-W64 HydrophobicContact CD1-CZ2 3.98Å; L57-W64 HydrophobicContact CD1-CZ3 3.74Å; L57-W64 HydrophobicContact CG-CZ3 4.46Å; W64-V91 HydrophobicContact CB-CG1 4.07Å; W64-V91 HydrophobicContact CD2-CG1 4.12Å; W64-V91 HydrophobicContact CE3-CG1 3.69Å; W64-V91 HydrophobicContact CG-CG1 4.34Å; W64-V91 HydrophobicContact CZ3-CG1 4.48Å; W64-L92 CarbonylContact C-O 3.53Å; W64-L92 VanDerWaalsContact CA-O 3.26Å; W64-L92 WeakPolarHBondContact CA-O 3.31Å; W64-E159 HydrophobicContact CH2-CG 3.67Å; W64-E159 HydrophobicContact CZ2-CG 3.43Å; W64-E159 VanDerWaalsContact CZ2-CG 3.43Å; W64-E159 WeakPolarHBondContact CZ2-OE1 3.2Å; W64-L163 HydrophobicContact CE3-CD1 4.24Å; W64-L163 HydrophobicContact CH2-CB 3.67Å; W64-L163 HydrophobicContact CH2-CD1 4.31Å; W64-L163 HydrophobicContact CH2-CD2 4.01Å; W64-L163 HydrophobicContact CH2-CG 4.2Å; W64-L163 HydrophobicContact CZ3-CB 3.58Å; W64-L163 HydrophobicContact CZ3-CD1 3.65Å; W64-L163 HydrophobicContact CZ3-CD2 4.19Å; W64-L163 HydrophobicContact CZ3-CG 3.98Å |
| 65 | L | 92.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.2 | 175.2 | 174 | 63.6 | 0 | 0 | 0 | 109.9 | L12 C21 V51 L67 V91 L92 L94 | L12-L65 HydrophobicContact CD1-CD2 4.29Å; C21-L65 HydrophobicContact CB-CD2 3.94Å; V51-L65 HydrophobicContact CG1-CD1 4.32Å; L65-L67 HydrophobicContact CD1-CD2 3.97Å; L65-L67 HydrophobicContact CD2-CD1 4.48Å; L65-L67 HydrophobicContact CD2-CD2 4.17Å; L65-L67 HydrophobicContact CD2-CG 4.49Å; L65-L67 HydrophobicContact CG-CD2 3.88Å; L65-L67 HydrophobicContact CG-CG 4.15Å; L65-V91 WeakPolarHBondContact O-CA 3.17Å; L65-L92 HydrophobicContact CB-CB 4.35Å; L65-L92 HydrophobicContact CD2-CD1 4.27Å; L65-L92 PolarHBondContact N-O 2.83Å; L65-L92 PolarHBondContact O-N 2.75Å; L65-L94 HydrophobicContact CB-CD1 4.35Å; L65-L94 HydrophobicContact CB-CD2 3.84Å; L65-L94 HydrophobicContact CB-CG 4.33Å |
| 66 | I | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.5 | -175.2 | -56 | 171.1 | 0 | 0 | 0 | 109.3 | I52 G53 I55 I89 A90 V91 L166 M215 | I52-I66 HydrophobicContact CB-CB 4.32Å; I52-I66 HydrophobicContact CB-CG2 3.98Å; I52-I66 WeakPolarHBondContact CB-O 3.21Å; I52-I66 HydrophobicContact CD1-CG2 4.06Å; I52-I66 HydrophobicContact CG1-CG2 4.37Å; I52-I66 HydrophobicContact CG2-CG2 4.35Å; I52-I66 PolarHBondContact N-O 2.74Å; G53-I66 PolarHBondContact N-O 2.71Å; G53-I66 WeakPolarHBondContact O-CA 3.29Å; G53-I66 WeakPolarHBondContact O-CB 3.47Å; G53-I66 PolarHBondContact O-N 3.32Å; I55-I66 HydrophobicContact CB-CD1 4.24Å; I55-I66 HydrophobicContact CG2-CD1 3.71Å; I55-I66 HydrophobicContact CG2-CG1 4.48Å; I66-I89 HydrophobicContact CG2-CB 4.24Å; I66-I89 HydrophobicContact CG2-CD1 4.03Å; I66-I89 HydrophobicContact CG2-CG2 4.41Å; I66-A90 WeakPolarHBondContact CA-O 3.27Å; I66-V91 HydrophobicContact CG1-CG1 4.33Å; I66-V91 HydrophobicContact CG1-CG2 4.4Å; I66-L166 HydrophobicContact CD1-CD1 4.42Å; I66-L166 HydrophobicContact CD1-CD2 3.82Å; I66-M215 HydrophobicContact CD1-CE 3.59Å |
| 67 | L | 95.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.2 | -174.1 | -55.9 | 179.5 | 0 | 0 | 0 | 110.8 | L3 L12 V48 G50 V51 L65 R69 I89 A90 L92 | L3-L67 HydrophobicContact CD1-CD1 4.06Å; L3-L67 HydrophobicContact CD2-CD1 4.08Å; L12-L67 HydrophobicContact CD1-CD2 4.45Å; L12-L67 HydrophobicContact CD2-CD1 4.24Å; L12-L67 HydrophobicContact CD2-CD2 3.85Å; V48-L67 HydrophobicContact CB-CB 4.48Å; V48-L67 HydrophobicContact CG1-CB 4.32Å; V48-L67 HydrophobicContact CG1-CD1 4.13Å; V48-L67 HydrophobicContact CG2-CD1 4.33Å; G50-L67 CarbonylContact O-C 3.48Å; G50-L67 WeakPolarHBondContact O-CA 3.47Å; V51-L67 HydrophobicContact CB-CD2 4.31Å; V51-L67 HydrophobicContact CG1-CD2 4.37Å; V51-L67 HydrophobicContact CG2-CD2 3.91Å; L65-L67 HydrophobicContact CD1-CD2 3.97Å; L65-L67 HydrophobicContact CD2-CD1 4.48Å; L65-L67 HydrophobicContact CD2-CD2 4.17Å; L65-L67 HydrophobicContact CD2-CG 4.49Å; L65-L67 HydrophobicContact CG-CD2 3.88Å; L65-L67 HydrophobicContact CG-CG 4.15Å; L67-R69 PolarHBondContact O-N 2.77Å; L67-I89 CarbonylContact O-C 3.41Å; L67-I89 WeakPolarHBondContact O-CA 3.45Å; L67-I89 WeakPolarHBondContact O-CB 3.39Å; L67-A90 PolarHBondContact N-O 2.87Å; L67-A90 PolarHBondContact O-N 2.86Å; L67-L92 HydrophobicContact CD1-CD1 3.74Å |
| 68 | I | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111.6 | 170.8 | -51.5 | 176.7 | 0 | 0 | 0 | 107.4 | E49 G50 I52 K71 V86 Y178 I232 | E49-I68 HydrophobicContact CB-CB 3.91Å; E49-I68 HydrophobicContact CB-CG2 3.71Å; E49-I68 PolarHBondContact N-O 2.86Å; G50-I68 PolarHBondContact O-N 3.43Å; I52-I68 HydrophobicContact CD1-CG1 3.9Å; I52-I68 HydrophobicContact CG1-CD1 4.4Å; I52-I68 HydrophobicContact CG1-CG1 3.54Å; I68-K71 HydrophobicContact CG2-CB 4.46Å; I68-V86 HydrophobicContact CD1-CG2 4.03Å; I68-V86 HydrophobicContact CG1-CG2 4.11Å; I68-V86 HydrophobicContact CG2-CG1 4.3Å; I68-V86 HydrophobicContact CG2-CG2 3.99Å; I68-Y178 HydrophobicContact CD1-CD1 4.43Å; I68-Y178 HydrophobicContact CD1-CE1 3.76Å; I68-Y178 HydrophobicContact CD1-CE2 4.43Å; I68-I232 HydrophobicContact CD1-CD1 4.27Å |
| 69 | R | 93.4 | Very high | 89.1 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -44.9 | 177.9 | 172.6 | 179.6 | 164.7 | -148.2 | -10.3 | 111.2 | L67 K88 A90 E103 L104 | L67-R69 PolarHBondContact O-N 2.77Å; R69-K88 HydrophobicContact CB-CB 4.2Å; R69-K88 HydrophobicContact CG-CB 4.41Å; R69-K88 PolarHBondContact N-O 2.68Å; R69-A90 HydrophobicContact CB-CB 4.21Å; R69-E103 VanDerWaalsContact CZ-CB 3.48Å; R69-E103 IonicContact CZ-OE2 2.72Å; R69-E103 PolarHBondContact NE-O 3.12Å; R69-E103 IonicContact NH1-OE2 2.66Å; R69-E103 PolarHBondContact NH1-OE2 2.65Å; R69-E103 PolarHBondContact NH2-O 3.37Å; R69-E103 IonicContact NH2-OE2 2.67Å; R69-E103 PolarHBondContact NH2-OE2 2.98Å; R69-L104 HydrophobicContact CB-CD2 4.45Å; R69-L104 HydrophobicContact CG-CD2 3.87Å |
| 70 | Q | 92.5 | Very high | 90.2 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144.5 | 174.9 | -73.1 | -177.4 | -39.7 | 0 | 0 | 110.3 | T87 K88 E105 | Q70-T87 VanDerWaalsContact C-OG1 3.28Å; Q70-T87 PolarHBondContact O-N 2.85Å; Q70-T87 PolarHBondContact O-OG1 3.04Å; Q70-T87 VanDerWaalsContact O-OG1 3.09Å; Q70-K88 HydrophobicContact CB-CB 4.16Å; Q70-K88 HydrophobicContact CB-CG 4.44Å; Q70-K88 PolarHBondContact N-O 2.86Å; Q70-K88 PolarHBondContact O-N 2.85Å; Q70-K88 VanDerWaalsContact O-N 3.1Å; Q70-K88 VanDerWaalsContact OE1-CE 3.27Å; Q70-E105 PolarHBondContact NE2-OE1 3.46Å |
| 71 | K | 94 | Very high | 91.4 | Very high | 80 Ų | 80 | 41.3 Ų | 41.3 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 164.3 | 175 | 72 | -170 | -176.5 | -165.1 | 0 | 109.9 | E49 I68 C84 K85 Y178 | E49-K71 HydrophobicContact CB-CD 4.39Å; E49-K71 VanDerWaalsContact CD-CE 3.42Å; E49-K71 HydrophobicContact CG-CD 4.02Å; E49-K71 HydrophobicContact CG-CG 4.26Å; E49-K71 VanDerWaalsContact OE1-CE 3.32Å; E49-K71 WeakPolarHBondContact OE1-CE 3.42Å; E49-K71 IonicContact OE1-NZ 2.86Å; E49-K71 PolarHBondContact OE1-NZ 3.1Å; E49-K71 VanDerWaalsContact OE2-CE 3.26Å; E49-K71 WeakPolarHBondContact OE2-CE 3.37Å; E49-K71 IonicContact OE2-NZ 2.81Å; E49-K71 PolarHBondContact OE2-NZ 3.16Å; I68-K71 HydrophobicContact CG2-CB 4.46Å; K71-C84 HydrophobicContact CD-CB 4.41Å; K71-K85 CarbonylContact C-O 3.58Å; K71-K85 VanDerWaalsContact CA-O 3.27Å; K71-K85 WeakPolarHBondContact CA-O 3.12Å; K71-Y178 WeakPolarHBondContact CD-OH 3.38Å |
| 72 | A | 95.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 138 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V74 C84 K85 T87 | A72-V74 PolarHBondContact O-N 3.22Å; A72-C84 WeakPolarHBondContact O-CA 3.33Å; A72-K85 PolarHBondContact N-O 3.01Å; A72-K85 PolarHBondContact O-N 3.22Å; A72-T87 HydrophobicContact CB-CG2 3.72Å |
| 73 | L | 96.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.5 | 169 | -176.6 | 67 | 0 | 0 | 0 | 108.6 | G75 E82 | L73-G75 WeakPolarHBondContact CD1-O 3.29Å; L73-E82 HydrophobicContact CD1-CB 3.81Å; L73-E82 HydrophobicContact CD1-CG 4.03Å |
| 74 | V | 95.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 40 Ų | 40 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -34.5 | 175 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | A72 V83 K85 Y177 V239 | A72-V74 PolarHBondContact O-N 3.22Å; V74-V83 HydrophobicContact CB-CB 4.4Å; V74-V83 HydrophobicContact CB-CG1 4.2Å; V74-V83 WeakPolarHBondContact CB-O 3.44Å; V74-V83 HydrophobicContact CG2-CG1 4.25Å; V74-V83 PolarHBondContact N-O 3.16Å; V74-K85 HydrophobicContact CG2-CB 3.7Å; V74-Y177 HydrophobicContact CG2-CD1 3.87Å; V74-Y177 HydrophobicContact CG2-CE1 3.78Å; V74-V239 HydrophobicContact CG1-CB 4.36Å; V74-V239 HydrophobicContact CG1-CG1 4.17Å; V74-V239 WeakPolarHBondContact CG1-O 3.21Å |
| 75 | G | 95.4 | Very high | 94.4 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 19% | 0.186 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -169.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L73 V83 | L73-G75 WeakPolarHBondContact CD1-O 3.29Å; G75-V83 PolarHBondContact O-N 2.83Å |
| 76 | K | 96 | Very high | 94.6 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.5 | 174.6 | -72.6 | 178.1 | 164.6 | -172.2 | 0 | 110 | D80 H81 E82 | K76-D80 VanDerWaalsContact CD-OD1 3.28Å; K76-D80 WeakPolarHBondContact CD-OD1 3.08Å; K76-D80 WeakPolarHBondContact CE-OD1 3.44Å; K76-D80 IonicContact NZ-OD1 2.74Å; K76-D80 PolarHBondContact NZ-OD1 3.46Å; K76-H81 WeakPolarHBondContact CA-O 3.4Å; K76-E82 HydrophobicContact CG-CG 4.06Å |
| 77 | L | 94.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 165.8 | 164.9 | -69.4 | 176.3 | 0 | 0 | 0 | 109.6 | D80 H81 V83 Y182 L184 I241 A279 I281 L313 | L77-D80 PolarHBondContact O-N 2.93Å; L77-H81 HydrophobicContact CB-CB 4.02Å; L77-H81 PolarHBondContact N-O 3.35Å; L77-H81 PolarHBondContact O-N 2.94Å; L77-V83 HydrophobicContact CD1-CG2 3.71Å; L77-V83 HydrophobicContact CG-CG2 3.83Å; L77-Y182 HydrophobicContact CD1-CD1 3.59Å; L77-Y182 HydrophobicContact CD1-CE1 3.6Å; L77-Y182 HydrophobicContact CD1-CG 4.09Å; L77-L184 HydrophobicContact CD1-CD2 3.89Å; L77-I241 HydrophobicContact CD2-CD1 3.76Å; L77-I241 HydrophobicContact CD2-CG1 4.21Å; L77-I241 HydrophobicContact CG-CD1 3.92Å; L77-A279 HydrophobicContact CD2-CB 3.71Å; L77-I281 HydrophobicContact CD1-CD1 4.27Å; L77-L313 HydrophobicContact CD2-CD1 4.05Å |
| 78 | P | 90.2 | Very high | 94.4 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 141.6 | 179.4 | -28.9 | 38.2 | 0 | 0 | 0 | 112.3 | H81 H315 T320 | P78-H81 PolarHBondContact O-CD2 2.83Å; P78-H315 HydrophobicContact CG-CB 3.74Å; P78-T320 HydrophobicContact CG-CG2 4.41Å |
| 79 | G | 87.2 | Confident | 94.3 | Very high | 65 Ų | 65 | 46 Ų | 46 | 67% | 0.67 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 29.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H81 | G79-H81 PolarHBondContact O-N 2.9Å; G79-H81 VanDerWaalsContact O-N 3.1Å |
| 80 | D | 91.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 17.5 | 178.4 | -92.6 | -65.2 | 0 | 0 | 0 | 115.6 | K76 L77 E82 | K76-D80 VanDerWaalsContact CD-OD1 3.28Å; K76-D80 WeakPolarHBondContact CD-OD1 3.08Å; K76-D80 WeakPolarHBondContact CE-OD1 3.44Å; K76-D80 IonicContact NZ-OD1 2.74Å; K76-D80 PolarHBondContact NZ-OD1 3.46Å; L77-D80 PolarHBondContact O-N 2.93Å; D80-E82 PolarHBondContact O-N 3.42Å |
| 81 | H | 95.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 96.7 | -176.1 | -74.4 | -51.4 | 0 | 0 | 0 | 112.8 | K76 L77 P78 G79 V83 T181 Y182 | K76-H81 WeakPolarHBondContact CA-O 3.4Å; L77-H81 HydrophobicContact CB-CB 4.02Å; L77-H81 PolarHBondContact N-O 3.35Å; L77-H81 PolarHBondContact O-N 2.94Å; P78-H81 PolarHBondContact O-CD2 2.83Å; G79-H81 PolarHBondContact O-N 2.9Å; G79-H81 VanDerWaalsContact O-N 3.1Å; H81-V83 PolarHBondContact O-N 2.82Å; H81-T181 PolarHBondContact CE1-O 3.03Å; H81-T181 WeakPolarHBondContact ND1-CB 3.39Å; H81-T181 PolarHBondContact ND1-O 3.33Å; H81-T181 PolarHBondContact ND1-OG1 3.28Å; H81-Y182 HydrophobicContact CB-CD2 4.46Å; H81-Y182 HydrophobicContact CB-CG 4.38Å; H81-Y182 AromaticContact CD2-CD2 3.54Å |
| 82 | E | 97.1 | Very high | 93.8 | Very high | 94 Ų | 94 | 39.3 Ų | 39.3 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129.6 | 177.5 | -65.7 | -168.4 | 163.1 | 0 | 0 | 112.7 | L73 K76 D80 S179 | L73-E82 HydrophobicContact CD1-CB 3.81Å; L73-E82 HydrophobicContact CD1-CG 4.03Å; K76-E82 HydrophobicContact CG-CG 4.06Å; D80-E82 PolarHBondContact O-N 3.42Å; E82-S179 VanDerWaalsContact O-CB 3.23Å; E82-S179 WeakPolarHBondContact O-CB 3.37Å; E82-S179 PolarHBondContact O-OG 3.45Å |
| 83 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 110 | V74 G75 L77 H81 L184 V239 I241 | V74-V83 HydrophobicContact CB-CB 4.4Å; V74-V83 HydrophobicContact CB-CG1 4.2Å; V74-V83 WeakPolarHBondContact CB-O 3.44Å; V74-V83 HydrophobicContact CG2-CG1 4.25Å; V74-V83 PolarHBondContact N-O 3.16Å; G75-V83 PolarHBondContact O-N 2.83Å; L77-V83 HydrophobicContact CD1-CG2 3.71Å; L77-V83 HydrophobicContact CG-CG2 3.83Å; H81-V83 PolarHBondContact O-N 2.82Å; V83-L184 HydrophobicContact CG1-CD1 3.94Å; V83-L184 HydrophobicContact CG2-CD1 4.5Å; V83-L184 HydrophobicContact CG2-CD2 4.01Å; V83-V239 HydrophobicContact CG1-CB 4.34Å; V83-V239 HydrophobicContact CG1-CG1 4.11Å; V83-V239 HydrophobicContact CG1-CG2 4.37Å; V83-I241 HydrophobicContact CB-CD1 4.31Å; V83-I241 HydrophobicContact CG2-CD1 4.17Å |
| 84 | C | 97.2 | Very high | 92.8 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138.3 | -179.8 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | K71 A72 Y177 Y178 | K71-C84 HydrophobicContact CD-CB 4.41Å; A72-C84 WeakPolarHBondContact O-CA 3.33Å; C84-Y177 CarbonylContact O-C 3.15Å; C84-Y177 VanDerWaalsContact O-CA 3.3Å; C84-Y177 WeakPolarHBondContact O-CA 3.25Å; C84-Y178 HydrophobicContact CB-CD1 3.98Å; C84-Y178 HydrophobicContact CB-CD2 4.48Å; C84-Y178 HydrophobicContact CB-CE1 3.57Å; C84-Y178 HydrophobicContact CB-CE2 4.14Å; C84-Y178 HydrophobicContact CB-CG 4.43Å; C84-Y178 PolarHBondContact N-O 3.27Å; C84-Y178 PolarHBondContact O-N 3.46Å |
| 85 | K | 96 | Very high | 92 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 14% | 0.143 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.3 | 168.4 | -169.6 | -177.2 | 80.5 | -177.8 | 0 | 109 | K71 A72 V74 E174 F176 Y177 | K71-K85 CarbonylContact C-O 3.58Å; K71-K85 VanDerWaalsContact CA-O 3.27Å; K71-K85 WeakPolarHBondContact CA-O 3.12Å; A72-K85 PolarHBondContact N-O 3.01Å; A72-K85 PolarHBondContact O-N 3.22Å; V74-K85 HydrophobicContact CG2-CB 3.7Å; K85-E174 HydrophobicContact CD-CB 4.09Å; K85-E174 WeakPolarHBondContact CE-OE1 3.34Å; K85-E174 IonicContact NZ-OE1 3.92Å; K85-E174 PolarHBondContact NZ-OE1 3.09Å; K85-E174 IonicContact NZ-OE2 3.58Å; K85-E174 PolarHBondContact NZ-OE2 3.35Å; K85-F176 WeakPolarHBondContact CA-O 3.24Å; K85-Y177 HydrophobicContact CB-CD1 3.9Å; K85-Y177 HydrophobicContact CB-CE1 3.89Å; K85-Y177 HydrophobicContact CD-CE1 3.87Å; K85-Y177 HydrophobicContact CG-CD1 4.02Å; K85-Y177 HydrophobicContact CG-CE1 3.73Å; K85-Y177 HydrophobicContact CG-CE2 4.44Å |
| 86 | V | 95.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.4 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | I68 I89 F170 F176 Y178 M234 | I68-V86 HydrophobicContact CD1-CG2 4.03Å; I68-V86 HydrophobicContact CG1-CG2 4.11Å; I68-V86 HydrophobicContact CG2-CG1 4.3Å; I68-V86 HydrophobicContact CG2-CG2 3.99Å; V86-I89 HydrophobicContact CG1-CG2 3.86Å; V86-F170 HydrophobicContact CG1-CD1 4.07Å; V86-F176 HydrophobicContact CB-CB 4.48Å; V86-F176 PolarHBondContact N-O 2.84Å; V86-Y178 HydrophobicContact CG2-CD1 4.13Å; V86-Y178 HydrophobicContact CG2-CE1 3.84Å; V86-M234 HydrophobicContact CB-CE 4.45Å; V86-M234 HydrophobicContact CG2-CE 3.44Å; V86-M234 VanDerWaalsContact CG2-CE 3.44Å |
| 87 | T | 92.6 | Very high | 89.4 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -30.4 | -179.8 | 56 | 0 | 0 | 0 | 0 | 112.5 | Q70 A72 | Q70-T87 VanDerWaalsContact C-OG1 3.28Å; Q70-T87 PolarHBondContact O-N 2.85Å; Q70-T87 PolarHBondContact O-OG1 3.04Å; Q70-T87 VanDerWaalsContact O-OG1 3.09Å; A72-T87 HydrophobicContact CB-CG2 3.72Å |
| 88 | K | 91.6 | Very high | 87.9 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149.3 | 169.3 | -60.4 | -175.7 | -169.1 | 153.7 | 0 | 112 | R69 Q70 M171 | R69-K88 HydrophobicContact CB-CB 4.2Å; R69-K88 HydrophobicContact CG-CB 4.41Å; R69-K88 PolarHBondContact N-O 2.68Å; Q70-K88 HydrophobicContact CB-CB 4.16Å; Q70-K88 HydrophobicContact CB-CG 4.44Å; Q70-K88 PolarHBondContact N-O 2.86Å; Q70-K88 PolarHBondContact O-N 2.85Å; Q70-K88 VanDerWaalsContact O-N 3.1Å; Q70-K88 VanDerWaalsContact OE1-CE 3.27Å; K88-M171 HydrophobicContact CG-SD 4.3Å |
| 89 | I | 93.2 | Very high | 86.6 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 157.5 | 170.4 | 62.6 | 174.7 | 0 | 0 | 0 | 110.6 | I52 I66 L67 V86 V91 L166 L167 F170 | I52-I89 HydrophobicContact CD1-CG2 3.49Å; I52-I89 VanDerWaalsContact CD1-CG2 3.49Å; I66-I89 HydrophobicContact CG2-CB 4.24Å; I66-I89 HydrophobicContact CG2-CD1 4.03Å; I66-I89 HydrophobicContact CG2-CG2 4.41Å; L67-I89 CarbonylContact O-C 3.41Å; L67-I89 WeakPolarHBondContact O-CA 3.45Å; L67-I89 WeakPolarHBondContact O-CB 3.39Å; V86-I89 HydrophobicContact CG1-CG2 3.86Å; I89-V91 HydrophobicContact CD1-CG2 3.74Å; I89-V91 HydrophobicContact CG1-CG2 4.14Å; I89-L166 HydrophobicContact CD1-CG 4.44Å; I89-L167 HydrophobicContact CD1-CD2 4.06Å; I89-L167 HydrophobicContact CG1-CD2 3.87Å; I89-F170 HydrophobicContact CD1-CB 4.12Å; I89-F170 HydrophobicContact CD1-CD2 3.79Å; I89-F170 HydrophobicContact CD1-CE2 4.49Å; I89-F170 HydrophobicContact CD1-CG 4.05Å; I89-F170 HydrophobicContact CG1-CB 4.33Å; I89-F170 HydrophobicContact CG2-CB 3.85Å; I89-F170 HydrophobicContact CG2-CD1 3.76Å; I89-F170 HydrophobicContact CG2-CD2 4.37Å; I89-F170 HydrophobicContact CG2-CE1 4.43Å; I89-F170 HydrophobicContact CG2-CG 3.73Å |
| 90 | A | 91.7 | Very high | 85.4 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108 | I66 L67 R69 L104 | I66-A90 WeakPolarHBondContact CA-O 3.27Å; L67-A90 PolarHBondContact N-O 2.87Å; L67-A90 PolarHBondContact O-N 2.86Å; R69-A90 HydrophobicContact CB-CB 4.21Å; A90-L104 HydrophobicContact CB-CD2 4.21Å |
| 91 | V | 90.3 | Very high | 84.1 | Confident | 30 Ų | 30 | 56 Ų | 56 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.8 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | W64 L65 I66 I89 L163 L166 L167 | W64-V91 HydrophobicContact CB-CG1 4.07Å; W64-V91 HydrophobicContact CD2-CG1 4.12Å; W64-V91 HydrophobicContact CE3-CG1 3.69Å; W64-V91 HydrophobicContact CG-CG1 4.34Å; W64-V91 HydrophobicContact CZ3-CG1 4.48Å; L65-V91 WeakPolarHBondContact O-CA 3.17Å; I66-V91 HydrophobicContact CG1-CG1 4.33Å; I66-V91 HydrophobicContact CG1-CG2 4.4Å; I89-V91 HydrophobicContact CD1-CG2 3.74Å; I89-V91 HydrophobicContact CG1-CG2 4.14Å; V91-L163 HydrophobicContact CB-CD1 4.11Å; V91-L163 HydrophobicContact CG1-CD1 3.99Å; V91-L163 HydrophobicContact CG2-CD1 4.1Å; V91-L166 HydrophobicContact CG2-CD2 4.47Å; V91-L167 HydrophobicContact CG2-CD2 4.32Å |
| 92 | L | 89.3 | Confident | 83 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.8 | -174.4 | -53.3 | 179.3 | 0 | 0 | 0 | 109.3 | L3 Y10 W64 L65 L67 L94 L102 | L3-L92 HydrophobicContact CD1-CD1 4.33Å; L3-L92 HydrophobicContact CD2-CD1 4Å; Y10-L92 HydrophobicContact CD1-CD1 4.09Å; Y10-L92 HydrophobicContact CD2-CD1 4.41Å; Y10-L92 HydrophobicContact CE1-CD1 4.29Å; Y10-L92 HydrophobicContact CE2-CB 4.07Å; Y10-L92 HydrophobicContact CG-CD1 4.14Å; W64-L92 CarbonylContact C-O 3.53Å; W64-L92 VanDerWaalsContact CA-O 3.26Å; W64-L92 WeakPolarHBondContact CA-O 3.31Å; L65-L92 HydrophobicContact CB-CB 4.35Å; L65-L92 HydrophobicContact CD2-CD1 4.27Å; L65-L92 PolarHBondContact N-O 2.83Å; L65-L92 PolarHBondContact O-N 2.75Å; L67-L92 HydrophobicContact CD1-CD1 3.74Å; L92-L94 PolarHBondContact O-N 2.84Å; L92-L102 HydrophobicContact CD2-CD1 3.44Å; L92-L102 VanDerWaalsContact CD2-CD1 3.44Å; L92-L102 HydrophobicContact CD2-CD2 3.72Å; L92-L102 HydrophobicContact CD2-CG 4.23Å |
| 93 | S | 86.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124 | 169.2 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | Y10 S95 | Y10-S93 WeakPolarHBondContact CE2-O 3.47Å; Y10-S93 PolarHBondContact OH-O 3.19Å; Y10-S93 VanDerWaalsContact OH-O 3.05Å; S93-S95 PolarHBondContact O-N 3.04Å; S93-S95 PolarHBondContact OG-OG 3.24Å |
| 94 | L | 83.5 | Confident | 81.5 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | trans | -82.5 | 75.8 | 170.3 | -50.9 | -173.2 | 0 | 0 | 0 | 107.8 | Y10 C21 R23 P62 W63 L65 L92 | Y10-L94 HydrophobicContact CD2-CD2 3.45Å; Y10-L94 VanDerWaalsContact CD2-CD2 3.45Å; Y10-L94 HydrophobicContact CE2-CD2 3.57Å; C21-L94 VanDerWaalsContact SG-CD1 3.55Å; R23-L94 CarbonylContact O-C 3.57Å; R23-L94 VanDerWaalsContact O-C 3.25Å; P62-L94 VanDerWaalsContact CB-O 3.29Å; P62-L94 WeakPolarHBondContact CB-O 3.23Å; W63-L94 HydrophobicContact CB-CB 4.31Å; W63-L94 HydrophobicContact CB-CD1 3.8Å; W63-L94 HydrophobicContact CB-CG 4.31Å; W63-L94 WeakPolarHBondContact O-CA 3.24Å; W63-L94 WeakPolarHBondContact O-CB 3.36Å; W63-L94 WeakPolarHBondContact O-CG 3.25Å; W63-L94 PolarHBondContact O-N 2.85Å; L65-L94 HydrophobicContact CB-CD1 4.35Å; L65-L94 HydrophobicContact CB-CD2 3.84Å; L65-L94 HydrophobicContact CB-CG 4.33Å; L92-L94 PolarHBondContact O-N 2.84Å | ||
| 95 | S | 79.1 | Confident | 81 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -143 | 168.4 | 173.8 | 62.6 | 0 | 0 | 0 | 0 | 110 | R23 S93 M97 | R23-S95 VanDerWaalsContact CZ-O 3.32Å; R23-S95 PolarHBondContact NE-O 3.27Å; R23-S95 PolarHBondContact NH2-O 3.49Å; R23-S95 WeakPolarHBondContact O-CA 3.45Å; R23-S95 PolarHBondContact O-N 3.42Å; S93-S95 PolarHBondContact O-N 3.04Å; S93-S95 PolarHBondContact OG-OG 3.24Å; S95-M97 PolarHBondContact O-N 3.05Å |
| 96 | E | 68.8 | Low | 80.5 | Confident | 129 Ų | 129 | 64.8 Ų | 64.8 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -70.2 | -16.3 | 179.1 | -64.2 | -171.8 | 163.4 | 0 | 0 | 113.7 | R23 R24 | R23-E96 PolarHBondContact NH2-O 3.14Å; R24-E96 IonicContact CZ-OE1 3.56Å; R24-E96 IonicContact NH1-OE1 3.68Å; R24-E96 PolarHBondContact NH1-OE1 3.36Å; R24-E96 IonicContact NH2-OE1 3.94Å; R24-E96 PolarHBondContact NH2-OE1 3.35Å |
| 97 | M | 67.2 | Low | 80 | Confident | 134 Ų | 134 | 65 Ų | 65 | 66% | 0.66 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -64.3 | 149.5 | 174.4 | -57.9 | -158 | -48.9 | 0 | 0 | 111.8 | R23 S95 | R23-M97 PolarHBondContact NH2-O 2.93Å; S95-M97 PolarHBondContact O-N 3.05Å |
| 98 | E | 64.3 | Low | 79.5 | Confident | 163 Ų | 163 | 72.4 Ų | 72.4 | 76% | 0.762 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 143.7 | 171.5 | -64.5 | -177.2 | 152.8 | 0 | 0 | 111.1 | ||
| 99 | P | 63.2 | Low | 79 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 142.1 | 175.9 | 28.9 | -34.6 | 0 | 0 | 0 | 110.8 | Q5 L45 L102 | Q5-P99 VanDerWaalsContact OE1-CG 3.25Å; L45-P99 HydrophobicContact CD1-CG 4.39Å; P99-L102 HydrophobicContact CB-CD1 3.83Å; P99-L102 HydrophobicContact CB-CD2 4.47Å; P99-L102 HydrophobicContact CB-CG 4.1Å; P99-L102 HydrophobicContact CG-CD1 3.98Å |
| 100 | Q | 62.3 | Low | 78.3 | Confident | 167 Ų | 167 | 79.9 Ų | 79.9 | 78% | 0.78 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 147.4 | 171.3 | -64.5 | 175.3 | 15 | 0 | 0 | 110.1 | L102 | Q100-L102 WeakPolarHBondContact O-CD2 3.4Å; Q100-L102 VanDerWaalsContact O-CG 3.32Å; Q100-L102 WeakPolarHBondContact O-CG 3.4Å; Q100-L102 PolarHBondContact O-N 3.2Å |
| 101 | D | 63.9 | Low | 77.6 | Confident | 153 Ų | 153 | 81.4 Ų | 81.4 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | trans | -36.2 | 101.9 | -169 | -165.5 | -1 | 0 | 0 | 0 | 114.2 | E103 | D101-E103 PolarHBondContact O-N 2.76Š| ||
| 102 | L | 71.9 | Confident | 75.9 | Confident | 39 Ų | 39 | 89.1 Ų | 89.1 | 20% | 0.204 | 43% | 0.429 | C | S | . | . | trans | -89.5 | 99.2 | -178.8 | -56.8 | 172 | 0 | 0 | 0 | 107.6 | L45 L92 P99 Q100 L104 | L45-L102 HydrophobicContact CD1-CD1 3.84Å; L92-L102 HydrophobicContact CD2-CD1 3.44Å; L92-L102 VanDerWaalsContact CD2-CD1 3.44Å; L92-L102 HydrophobicContact CD2-CD2 3.72Å; L92-L102 HydrophobicContact CD2-CG 4.23Å; P99-L102 HydrophobicContact CB-CD1 3.83Å; P99-L102 HydrophobicContact CB-CD2 4.47Å; P99-L102 HydrophobicContact CB-CG 4.1Å; P99-L102 HydrophobicContact CG-CD1 3.98Å; Q100-L102 WeakPolarHBondContact O-CD2 3.4Å; Q100-L102 VanDerWaalsContact O-CG 3.32Å; Q100-L102 WeakPolarHBondContact O-CG 3.4Å; Q100-L102 PolarHBondContact O-N 3.2Å; L102-L104 HydrophobicContact CB-CD1 4.21Å; L102-L104 HydrophobicContact CB-CG 3.93Å; L102-L104 HydrophobicContact CD1-CD1 4.43Å; L102-L104 PolarHBondContact O-N 3.05Å | ||
| 103 | E | 78.1 | Confident | 74.2 | Confident | 129 Ų | 129 | 92.2 Ų | 92.2 | 60% | 0.603 | 46% | 0.461 | S | S | * | . | trans | -63.9 | 48.8 | 174.9 | -59.1 | 178.3 | 147.6 | 0 | 0 | 113.7 | R69 D101 | R69-E103 VanDerWaalsContact CZ-CB 3.48Å; R69-E103 IonicContact CZ-OE2 2.72Å; R69-E103 PolarHBondContact NE-O 3.12Å; R69-E103 IonicContact NH1-OE2 2.66Å; R69-E103 PolarHBondContact NH1-OE2 2.65Å; R69-E103 PolarHBondContact NH2-O 3.37Å; R69-E103 IonicContact NH2-OE2 2.67Å; R69-E103 PolarHBondContact NH2-OE2 2.98Å; D101-E103 PolarHBondContact O-N 2.76Å | ||
| 104 | L | 85.7 | Confident | 72.8 | Confident | 16 Ų | 16 | 95.3 Ų | 95.3 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 161.8 | -179.6 | -60.2 | -178.5 | 0 | 0 | 0 | 111.2 | L3 L45 V48 R69 A90 L102 L106 | L3-L104 HydrophobicContact CD2-CD1 3.78Å; L45-L104 HydrophobicContact CB-CD1 4.1Å; V48-L104 HydrophobicContact CG1-CD1 4.32Å; V48-L104 HydrophobicContact CG1-CD2 4.14Å; R69-L104 HydrophobicContact CB-CD2 4.45Å; R69-L104 HydrophobicContact CG-CD2 3.87Å; A90-L104 HydrophobicContact CB-CD2 4.21Å; L102-L104 HydrophobicContact CB-CD1 4.21Å; L102-L104 HydrophobicContact CB-CG 3.93Å; L102-L104 HydrophobicContact CD1-CD1 4.43Å; L102-L104 PolarHBondContact O-N 3.05Å; L104-L106 PolarHBondContact O-N 3.1Å |
| 105 | E | 85.9 | Confident | 70.9 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 122.9 | 173.3 | -62.6 | -170.1 | -163.1 | 0 | 0 | 109.1 | G46 L47 Q70 C107 | G46-E105 CarbonylContact C-O 3.52Å; G46-E105 WeakPolarHBondContact CA-O 2.98Å; L47-E105 WeakPolarHBondContact CB-O 3.47Å; L47-E105 WeakPolarHBondContact CG-O 3.32Å; L47-E105 PolarHBondContact N-O 3.21Å; Q70-E105 PolarHBondContact NE2-OE1 3.46Å; E105-C107 PolarHBondContact O-N 3.41Å |
| 106 | L | 86.4 | Confident | 69 | Low | 79 Ų | 79 | 109.7 Ų | 109.7 | 41% | 0.414 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 125.2 | -172.4 | -62.3 | -179.8 | 0 | 0 | 0 | 111.3 | L104 K108 H111 I114 | L104-L106 PolarHBondContact O-N 3.1Å; L106-K108 PolarHBondContact O-N 3.06Å; L106-H111 HydrophobicContact CB-CB 3.94Å; L106-H111 HydrophobicContact CD1-CB 4.36Å; L106-I114 HydrophobicContact CD1-CB 4.41Å; L106-I114 HydrophobicContact CD1-CG2 4.03Å |
| 107 | C | 84.2 | Confident | 67.5 | Low | 5 Ų | 5 | 109 Ų | 109 | 3% | 0.034 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 123.6 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | E2 L47 E105 K109 H110 H111 | E2-C107 PolarHBondContact OE1-SG 2.99Å; L47-C107 HydrophobicContact CD2-CB 3.89Å; L47-C107 HydrophobicContact CG-CB 4.22Å; E105-C107 PolarHBondContact O-N 3.41Å; C107-K109 PolarHBondContact O-N 3.44Å; C107-K109 VanDerWaalsContact O-N 3.16Å; C107-K109 PolarHBondContact SG-N 3.21Å; C107-H110 PolarHBondContact O-N 3.49Å; C107-H111 PolarHBondContact N-ND1 3.33Å; C107-H111 VanDerWaalsContact N-ND1 3.17Å; C107-H111 WeakPolarHBondContact O-CB 3.49Å; C107-H111 PolarHBondContact O-N 3Å; C107-H111 PolarHBondContact O-ND1 2.9Å |
| 108 | K | 82.8 | Confident | 65.9 | Low | 189 Ų | 189 | 111.4 Ų | 111.4 | 82% | 0.822 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -24.9 | 179.6 | -63.6 | -177.9 | 180 | 179 | 0 | 114.5 | L106 | L106-K108 PolarHBondContact O-N 3.06Š|
| 109 | K | 81.1 | Confident | 64.5 | Low | 138 Ų | 138 | 113.4 Ų | 113.4 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -43 | 178.3 | -57.8 | -179.6 | -171 | 167.5 | 0 | 112.3 | E2 C107 | E2-K109 IonicContact OE1-NZ 2.7Å; E2-K109 WeakPolarHBondContact OE2-CE 3.45Å; E2-K109 IonicContact OE2-NZ 3.15Å; E2-K109 PolarHBondContact OE2-NZ 3.22Å; C107-K109 PolarHBondContact O-N 3.44Å; C107-K109 VanDerWaalsContact O-N 3.16Å; C107-K109 PolarHBondContact SG-N 3.21Å |
| 110 | H | 78.6 | Confident | 62.9 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 43% | 0.431 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.7 | -18.7 | -165.7 | -58.1 | 115.4 | 0 | 0 | 0 | 113.7 | E2 F4 C44 C107 | E2-H110 IonicContact OE1-CE1 2.7Å; E2-H110 PolarHBondContact OE1-CE1 3.17Å; E2-H110 IonicContact OE1-ND1 3.19Å; E2-H110 PolarHBondContact OE1-ND1 3.3Å; F4-H110 AromaticContact CE1-CE1 3.8Å; F4-H110 AromaticContact CE1-ND1 3.9Å; F4-H110 AromaticContact CZ-CE1 3.52Å; F4-H110 AromaticContact CZ-ND1 3.87Å; C44-H110 HydrophobicContact CB-CB 3.6Å; C107-H110 PolarHBondContact O-N 3.49Å |
| 111 | H | 76.4 | Confident | 61.3 | Low | 37 Ų | 37 | 118.4 Ų | 118.4 | 17% | 0.171 | 59% | 0.589 | C | S | . | * | S | Bend | trans | -109.1 | 32.8 | 178.7 | -58.1 | 104.3 | 0 | 0 | 0 | 112.6 | C44 L106 C107 G113 I114 | C44-H111 PolarHBondContact O-CE1 2.92Å; C44-H111 PolarHBondContact O-NE2 3.05Å; L106-H111 HydrophobicContact CB-CB 3.94Å; L106-H111 HydrophobicContact CD1-CB 4.36Å; C107-H111 PolarHBondContact N-ND1 3.33Å; C107-H111 VanDerWaalsContact N-ND1 3.17Å; C107-H111 WeakPolarHBondContact O-CB 3.49Å; C107-H111 PolarHBondContact O-N 3Å; C107-H111 PolarHBondContact O-ND1 2.9Å; H111-G113 PolarHBondContact O-N 3.01Å; H111-I114 HydrophobicContact CB-CD1 4.13Å; H111-I114 PolarHBondContact O-N 3.26Å |
| 112 | F | 54.6 | Low | 59.7 | Low | 192 Ų | 192 | 115.9 Ų | 115.9 | 84% | 0.842 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 132.5 | -177.9 | -158.8 | -89 | 0 | 0 | 0 | 110.8 | I114 | F112-I114 VanDerWaalsContact C-N 3.34Š|
| 113 | G | 53.7 | Low | 57.6 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.5 | -12.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H111 N115 | H111-G113 PolarHBondContact O-N 3.01Å; G113-N115 VanDerWaalsContact C-N 3.31Å; G113-N115 PolarHBondContact O-N 2.82Å |
| 114 | I | 57.3 | Low | 55.7 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 52% | 0.518 | 60% | 0.598 | S | S | . | * | trans | -79.2 | 83 | 171.9 | -52.1 | -176.7 | 0 | 0 | 0 | 109 | L106 H111 F112 K116 | L106-I114 HydrophobicContact CD1-CB 4.41Å; L106-I114 HydrophobicContact CD1-CG2 4.03Å; H111-I114 HydrophobicContact CB-CD1 4.13Å; H111-I114 PolarHBondContact O-N 3.26Å; F112-I114 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.38Å | ||
| 115 | N | 43.1 | Very low | 53.2 | Low | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.8 | 166.2 | -79.8 | -23.8 | 0 | 0 | 0 | 109.3 | G113 P117 | G113-N115 VanDerWaalsContact C-N 3.31Å; G113-N115 PolarHBondContact O-N 2.82Å; N115-P117 WeakPolarHBondContact O-CD 3.41Å |
| 116 | K | 39.8 | Very low | 50.7 | Low | 186 Ų | 186 | 118.3 Ų | 118.3 | 81% | 0.809 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.2 | 171.7 | -70.9 | -179.6 | 176.8 | 174.4 | 0 | 108.4 | I114 E118 | I114-K116 PolarHBondContact O-N 3.38Å; K116-E118 PolarHBondContact O-N 2.87Å |
| 117 | P | 37.1 | Very low | 48.5 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 75% | 0.747 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 131.4 | 156.6 | 27 | -31.9 | 0 | 0 | 0 | 107 | N115 | N115-P117 WeakPolarHBondContact O-CD 3.41Š|
| 118 | E | 32.8 | Very low | 46.2 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 148.6 | 169.6 | -66 | -165.2 | 123.1 | 0 | 0 | 109.1 | K116 I120 | K116-E118 PolarHBondContact O-N 2.87Å; E118-I120 PolarHBondContact O-N 2.89Å |
| 119 | K | 35.2 | Very low | 43.8 | Very low | 205 Ų | 205 | 122.1 Ų | 122.1 | 89% | 0.891 | 64% | 0.637 | S | S | * | * | trans | -62.8 | 95.5 | -172.3 | -70 | 178.6 | 177.6 | 176.8 | 0 | 110.9 | I121 | K119-I121 PolarHBondContact O-N 2.84Š| ||
| 120 | I | 29.9 | Very low | 41.9 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | trans | -58.1 | 112.7 | 153.5 | -59.6 | 179 | 0 | 0 | 0 | 105.2 | E118 P122 | E118-I120 PolarHBondContact O-N 2.89Å; I120-P122 WeakPolarHBondContact O-CD 3.4Å | ||
| 121 | I | 28.8 | Very low | 40 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 116.8 | 176 | -59.9 | 171.1 | 0 | 0 | 0 | 105.9 | K119 S123 | K119-I121 PolarHBondContact O-N 2.84Å; I121-S123 PolarHBondContact O-N 2.87Å |
| 122 | P | 29.4 | Very low | 37.9 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.2 | 179.9 | 25.1 | -33.2 | 0 | 0 | 0 | 109.2 | I120 | I120-P122 WeakPolarHBondContact O-CD 3.4Š|
| 123 | S | 28.6 | Very low | 37 | Very low | 60 Ų | 60 | 122.6 Ų | 122.6 | 42% | 0.42 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 145.5 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | I121 D125 D126 | I121-S123 PolarHBondContact O-N 2.87Å; S123-D125 PolarHBondContact O-N 2.69Å; S123-D126 PolarHBondContact N-OD2 2.8Å; S123-D126 PolarHBondContact O-N 2.91Å; S123-D126 VanDerWaalsContact O-N 3.15Å |
| 124 | P | 37.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -21.8 | 173 | -26.7 | 35.6 | 0 | 0 | 0 | 113.9 | S127 | P124-S127 PolarHBondContact O-OG 3.32Š|
| 125 | D | 33.9 | Very low | 35 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 46% | 0.46 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -17.5 | -178.4 | -77.9 | -57 | 0 | 0 | 0 | 115.7 | S123 S127 K128 | S123-D125 PolarHBondContact O-N 2.69Å; D125-S127 PolarHBondContact O-N 2.86Å; D125-S127 VanDerWaalsContact O-N 3.17Å; D125-K128 WeakPolarHBondContact O-CB 3.39Å; D125-K128 PolarHBondContact O-N 3Å; D125-K128 WeakPolarHBondContact OD1-CD 3.26Å; D125-K128 VanDerWaalsContact OD1-CE 3.3Å; D125-K128 WeakPolarHBondContact OD1-CE 3.5Å; D125-K128 IonicContact OD1-NZ 3.84Å; D125-K128 PolarHBondContact OD1-NZ 3.47Å |
| 126 | D | 33.8 | Very low | 34.5 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.7 | -27.1 | -179.3 | -63.8 | -43.9 | 0 | 0 | 0 | 112 | S123 K128 F129 | S123-D126 PolarHBondContact N-OD2 2.8Å; S123-D126 PolarHBondContact O-N 2.91Å; S123-D126 VanDerWaalsContact O-N 3.15Å; D126-K128 PolarHBondContact O-N 2.81Å; D126-K128 VanDerWaalsContact O-N 3.08Å; D126-F129 PolarHBondContact O-N 2.92Å |
| 127 | S | 39.1 | Very low | 34.5 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -54.6 | -22.3 | 168.8 | 67.7 | 0 | 0 | 0 | 0 | 114.5 | P124 D125 | P124-S127 PolarHBondContact O-OG 3.32Å; D125-S127 PolarHBondContact O-N 2.86Å; D125-S127 VanDerWaalsContact O-N 3.17Å |
| 128 | K | 36.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -96.1 | -18.8 | 179.3 | -56.8 | 170.8 | -172.5 | 165.3 | 0 | 112.9 | D125 D126 | D125-K128 WeakPolarHBondContact O-CB 3.39Å; D125-K128 PolarHBondContact O-N 3Å; D125-K128 WeakPolarHBondContact OD1-CD 3.26Å; D125-K128 VanDerWaalsContact OD1-CE 3.3Å; D125-K128 WeakPolarHBondContact OD1-CE 3.5Å; D125-K128 IonicContact OD1-NZ 3.84Å; D125-K128 PolarHBondContact OD1-NZ 3.47Å; D126-K128 PolarHBondContact O-N 2.81Å; D126-K128 VanDerWaalsContact O-N 3.08Å |
| 129 | F | 34.2 | Very low | 34.9 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.1 | -49.6 | -179 | -167.9 | -103 | 0 | 0 | 0 | 111.2 | D126 L131 K132 T133 | D126-F129 PolarHBondContact O-N 2.92Å; F129-L131 PolarHBondContact O-N 2.83Å; F129-L131 VanDerWaalsContact O-N 3.14Å; F129-K132 WeakPolarHBondContact O-CB 3.26Å; F129-K132 PolarHBondContact O-N 3.31Å; F129-T133 PolarHBondContact O-N 3.15Å |
| 130 | L | 40.6 | Very low | 35.1 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57 | -32.7 | 178.1 | -64.4 | 175.2 | 0 | 0 | 0 | 112.9 | K132 F134 | L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.61Å; L130-F134 PolarHBondContact O-N 2.94Å |
| 131 | L | 37.5 | Very low | 35.4 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 71% | 0.707 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.3 | -26.1 | 178 | -155.7 | 70.8 | 0 | 0 | 0 | 113.2 | F129 T135 | F129-L131 PolarHBondContact O-N 2.83Å; F129-L131 VanDerWaalsContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 3.39Å; L131-T135 VanDerWaalsContact O-OG1 3.05Å |
| 132 | K | 33.9 | Very low | 35.8 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.4 | -40.3 | 176.1 | -70.3 | -178.8 | 176.7 | -177.8 | 0 | 112.3 | F129 L130 F134 T135 | F129-K132 WeakPolarHBondContact O-CB 3.26Å; F129-K132 PolarHBondContact O-N 3.31Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.61Å; K132-F134 VanDerWaalsContact C-N 3.3Å; K132-F134 PolarHBondContact O-N 3.44Å; K132-T135 WeakPolarHBondContact CA-OG1 3.42Å; K132-T135 PolarHBondContact O-N 3.3Å; K132-T135 VanDerWaalsContact O-N 3.13Å; K132-T135 PolarHBondContact O-OG1 3.48Å |
| 133 | T | 35.7 | Very low | 36.6 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 40% | 0.399 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 176.2 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | F129 T135 H136 I137 | F129-T133 PolarHBondContact O-N 3.15Å; T133-T135 PolarHBondContact O-N 3.17Å; T133-T135 VanDerWaalsContact O-N 3.14Å; T133-H136 PolarHBondContact O-N 3.45Å; T133-I137 HydrophobicContact CG2-CD1 4.25Å |
| 134 | F | 33.9 | Very low | 37.4 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 68% | 0.68 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.1 | -16 | 175.9 | -101.7 | -85.5 | 0 | 0 | 0 | 115.1 | L130 K132 | L130-F134 PolarHBondContact O-N 2.94Å; K132-F134 VanDerWaalsContact C-N 3.3Å; K132-F134 PolarHBondContact O-N 3.44Å |
| 135 | T | 34.9 | Very low | 37.9 | Very low | 107 Ų | 107 | 119 Ų | 119 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -92.7 | -19.7 | -179.6 | 15.9 | 0 | 0 | 0 | 0 | 114.1 | L131 K132 T133 | L131-T135 PolarHBondContact O-OG1 3.39Å; L131-T135 VanDerWaalsContact O-OG1 3.05Å; K132-T135 WeakPolarHBondContact CA-OG1 3.42Å; K132-T135 PolarHBondContact O-N 3.3Å; K132-T135 VanDerWaalsContact O-N 3.13Å; K132-T135 PolarHBondContact O-OG1 3.48Å; T133-T135 PolarHBondContact O-N 3.17Å; T133-T135 VanDerWaalsContact O-N 3.14Å |
| 136 | H | 31.9 | Very low | 38.6 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -88.9 | -32.1 | -178 | -100.7 | -93.3 | 0 | 0 | 0 | 114.9 | T133 S139 | T133-H136 PolarHBondContact O-N 3.45Å; H136-S139 WeakPolarHBondContact O-CB 3.49Å; H136-S139 PolarHBondContact O-OG 3.29Å |
| 137 | I | 41 | Very low | 39.4 | Very low | 140 Ų | 140 | 128 Ų | 128 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -80.5 | -27 | -166.9 | -61.7 | 176.2 | 0 | 0 | 0 | 113.5 | T133 S139 | T133-I137 HydrophobicContact CG2-CD1 4.25Å; I137-S139 PolarHBondContact O-N 2.94Å |
| 138 | K | 36.3 | Very low | 39.9 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -79.8 | 32.4 | 177.2 | -80.3 | -176 | 174.3 | 174.5 | 0 | 113.5 | E156 | K138-E156 IonicContact NZ-OE1 3.31Å; K138-E156 PolarHBondContact NZ-OE1 3.33Å; K138-E156 IonicContact NZ-OE2 2.69Å; K138-E156 PolarHBondContact NZ-OE2 2.69Å |
| 139 | S | 40.1 | Very low | 41 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 54% | 0.538 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -106.5 | -21.9 | -168.5 | 58.5 | 0 | 0 | 0 | 0 | 117.5 | H136 I137 | H136-S139 WeakPolarHBondContact O-CB 3.49Å; H136-S139 PolarHBondContact O-OG 3.29Å; I137-S139 PolarHBondContact O-N 2.94Å |
| 140 | N | 39.3 | Very low | 42.2 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -140.5 | 63.4 | -169.6 | -83.7 | -44.7 | 0 | 0 | 0 | 115.5 | ||
| 141 | V | 36.3 | Very low | 43.1 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -142.2 | 141.8 | 153.3 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 142 | S | 37.6 | Very low | 44.5 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -16 | 140.9 | 178.7 | 61.7 | 0 | 0 | 0 | 0 | 119 | P144 | S142-P144 WeakPolarHBondContact O-CD 3.2Š| ||
| 143 | A | 47 | Very low | 46.3 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 88% | 0.876 | 65% | 0.653 | S | S | * | * | trans | -83.2 | 125.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 144 | P | 45.1 | Very low | 47.9 | Very low | 91 Ų | 91 | 125 Ų | 125 | 59% | 0.591 | 66% | 0.655 | S | S | * | * | trans | -112.2 | 160.5 | 154.7 | 38.4 | -33.7 | 0 | 0 | 0 | 112.6 | S142 K146 V149 | S142-P144 WeakPolarHBondContact O-CD 3.2Å; P144-K146 PolarHBondContact O-N 3.1Å; P144-V149 HydrophobicContact CG-CG2 4.28Å; P144-V149 WeakPolarHBondContact O-CG2 3.48Å | ||
| 145 | N | 47 | Very low | 49.6 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 69% | 0.69 | 64% | 0.635 | S | S | * | * | trans | -7.6 | 110.1 | 171.9 | -84.8 | -57.2 | 0 | 0 | 0 | 118.4 | K147 K148 V149 | N145-K147 PolarHBondContact O-N 3.2Å; N145-K148 PolarHBondContact O-N 3.15Å; N145-K148 VanDerWaalsContact O-N 3.16Å; N145-V149 PolarHBondContact O-N 3.47Å | ||
| 146 | K | 50 | Low | 51.5 | Low | 196 Ų | 196 | 119.3 Ų | 119.3 | 85% | 0.852 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54.3 | -22 | 178.3 | -67.3 | 179 | 179.2 | 174.8 | 0 | 115.2 | P144 K150 | P144-K146 PolarHBondContact O-N 3.1Å; K146-K150 WeakPolarHBondContact O-CB 3.47Å |
| 147 | K | 50.3 | Low | 53.8 | Low | 162 Ų | 162 | 117.1 Ų | 117.1 | 70% | 0.704 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.5 | -60.2 | 172.4 | -78.8 | -168.6 | 176.5 | -175.5 | 0 | 112 | N145 V149 K150 E151 | N145-K147 PolarHBondContact O-N 3.2Å; K147-V149 VanDerWaalsContact C-N 3.29Å; K147-V149 PolarHBondContact O-N 3.27Å; K147-K150 WeakPolarHBondContact O-CA 3.41Å; K147-K150 WeakPolarHBondContact O-CB 3.46Å; K147-K150 PolarHBondContact O-N 3.42Å; K147-E151 PolarHBondContact O-N 2.86Å |
| 148 | K | 49.6 | Very low | 55.5 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.8 | -40.2 | -179.6 | -74.2 | -164.6 | 172.7 | -169.4 | 0 | 113.2 | N145 K150 E151 S152 | N145-K148 PolarHBondContact O-N 3.15Å; N145-K148 VanDerWaalsContact O-N 3.16Å; K148-K150 VanDerWaalsContact C-N 3.29Å; K148-K150 PolarHBondContact O-N 3.12Å; K148-E151 WeakPolarHBondContact CA-OE2 3.43Å; K148-E151 PolarHBondContact O-N 3.46Å; K148-S152 VanDerWaalsContact O-CB 3.32Å; K148-S152 WeakPolarHBondContact O-CB 3.47Å; K148-S152 PolarHBondContact O-N 3.06Å |
| 149 | V | 58.7 | Low | 57.5 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -34.9 | 177 | 178 | 0 | 0 | 0 | 0 | 111.9 | P144 N145 K147 K153 | P144-V149 HydrophobicContact CG-CG2 4.28Å; P144-V149 WeakPolarHBondContact O-CG2 3.48Å; N145-V149 PolarHBondContact O-N 3.47Å; K147-V149 VanDerWaalsContact C-N 3.29Å; K147-V149 PolarHBondContact O-N 3.27Å; V149-K153 PolarHBondContact O-N 3.11Å |
| 150 | K | 58.6 | Low | 59.6 | Low | 107 Ų | 107 | 109.8 Ų | 109.8 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74.4 | -46.2 | 177 | -174.4 | -167.7 | 165.6 | -142.4 | 0 | 111.5 | K146 K147 K148 S152 K153 E154 | K146-K150 WeakPolarHBondContact O-CB 3.47Å; K147-K150 WeakPolarHBondContact O-CA 3.41Å; K147-K150 WeakPolarHBondContact O-CB 3.46Å; K147-K150 PolarHBondContact O-N 3.42Å; K148-K150 VanDerWaalsContact C-N 3.29Å; K148-K150 PolarHBondContact O-N 3.12Å; K150-S152 VanDerWaalsContact C-N 3.33Å; K150-S152 PolarHBondContact O-N 3.43Å; K150-K153 PolarHBondContact O-N 3.21Å; K150-K153 VanDerWaalsContact O-N 3.16Å; K150-E154 WeakPolarHBondContact CE-OE1 3.45Å; K150-E154 IonicContact NZ-OE1 3.52Å; K150-E154 IonicContact NZ-OE2 3.93Å; K150-E154 PolarHBondContact O-N 3.04Å |
| 151 | E | 60.5 | Low | 61.7 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 177 | -70.8 | 147.9 | -160.3 | 0 | 0 | 111.4 | K147 K148 K153 E154 K155 | K147-E151 PolarHBondContact O-N 2.86Å; K148-E151 WeakPolarHBondContact CA-OE2 3.43Å; K148-E151 PolarHBondContact O-N 3.46Å; E151-K153 PolarHBondContact O-N 2.93Å; E151-E154 PolarHBondContact O-N 3.25Å; E151-K155 PolarHBondContact O-N 2.56Å |
| 152 | S | 66.4 | Low | 64 | Low | 74 Ų | 74 | 99.4 Ų | 99.4 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | K148 K150 E154 K155 E156 | K148-S152 VanDerWaalsContact O-CB 3.32Å; K148-S152 WeakPolarHBondContact O-CB 3.47Å; K148-S152 PolarHBondContact O-N 3.06Å; K150-S152 VanDerWaalsContact C-N 3.33Å; K150-S152 PolarHBondContact O-N 3.43Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 2.88Å; S152-K155 PolarHBondContact O-N 3.01Å; S152-E156 WeakPolarHBondContact O-CB 3.33Å; S152-E156 PolarHBondContact O-N 3.12Å |
| 153 | K | 72.9 | Confident | 66.3 | Low | 147 Ų | 147 | 96.8 Ų | 96.8 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.2 | -28.8 | 177.8 | -172 | 172.3 | -177.8 | 173.9 | 0 | 113.3 | V149 K150 E151 K157 | V149-K153 PolarHBondContact O-N 3.11Å; K150-K153 PolarHBondContact O-N 3.21Å; K150-K153 VanDerWaalsContact O-N 3.16Å; E151-K153 PolarHBondContact O-N 2.93Å; K153-K157 WeakPolarHBondContact O-CB 3.43Å; K153-K157 PolarHBondContact O-N 3.09Å |
| 154 | E | 68.6 | Low | 68.2 | Low | 96 Ų | 96 | 95.3 Ų | 95.3 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.2 | -35 | 174 | -72.8 | 174.5 | 161.7 | 0 | 0 | 111 | K150 E151 S152 K157 L158 | K150-E154 WeakPolarHBondContact CE-OE1 3.45Å; K150-E154 IonicContact NZ-OE1 3.52Å; K150-E154 IonicContact NZ-OE2 3.93Å; K150-E154 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 3.25Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 2.88Å; E154-K157 PolarHBondContact O-N 2.88Å; E154-L158 PolarHBondContact O-N 3.23Å; E154-L158 VanDerWaalsContact O-N 3.1Å |
| 155 | K | 70.4 | Confident | 70.2 | Confident | 57 Ų | 57 | 91.7 Ų | 91.7 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.4 | -50.7 | 167.6 | -75.9 | -177.9 | 173.2 | 177.8 | 0 | 112.7 | D60 E151 S152 K157 L158 E159 Y575 | D60-K155 IonicContact OD2-NZ 2.7Å; D60-K155 PolarHBondContact OD2-NZ 2.75Å; E151-K155 PolarHBondContact O-N 2.56Å; S152-K155 PolarHBondContact O-N 3.01Å; K155-K157 PolarHBondContact O-N 2.82Å; K155-L158 PolarHBondContact O-N 3.01Å; K155-E159 WeakPolarHBondContact O-CB 2.97Å; K155-E159 PolarHBondContact O-N 3.35Å; K155-Y575 WeakPolarHBondContact CE-OH 3.23Å |
| 156 | E | 74.8 | Confident | 72.2 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -52.2 | -38.1 | 175.5 | -175 | -177.9 | -170.8 | 0 | 0 | 111.5 | K138 S152 R160 | K138-E156 IonicContact NZ-OE1 3.31Å; K138-E156 PolarHBondContact NZ-OE1 3.33Å; K138-E156 IonicContact NZ-OE2 2.69Å; K138-E156 PolarHBondContact NZ-OE2 2.69Å; S152-E156 WeakPolarHBondContact O-CB 3.33Å; S152-E156 PolarHBondContact O-N 3.12Å; E156-R160 WeakPolarHBondContact O-CB 3.4Å; E156-R160 PolarHBondContact O-N 2.74Å |
| 157 | K | 78.6 | Confident | 74.1 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.7 | -36.5 | 176.8 | -172.6 | -172.2 | 176 | -166.3 | 0 | 113.5 | K153 E154 K155 R161 | K153-K157 WeakPolarHBondContact O-CB 3.43Å; K153-K157 PolarHBondContact O-N 3.09Å; E154-K157 PolarHBondContact O-N 2.88Å; K155-K157 PolarHBondContact O-N 2.82Å; K157-R161 WeakPolarHBondContact O-CG 3.47Å; K157-R161 PolarHBondContact O-N 2.83Å; K157-R161 VanDerWaalsContact O-N 3.13Å |
| 158 | L | 77.6 | Confident | 75.9 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -49.9 | 175.9 | 170.5 | 56.3 | 0 | 0 | 0 | 111 | E154 K155 R160 R161 L162 Y557 L574 F578 | E154-L158 PolarHBondContact O-N 3.23Å; E154-L158 VanDerWaalsContact O-N 3.1Å; K155-L158 PolarHBondContact O-N 3.01Å; L158-R160 VanDerWaalsContact C-N 3.29Å; L158-R160 PolarHBondContact O-N 3.32Å; L158-R161 WeakPolarHBondContact O-CA 3.37Å; L158-R161 WeakPolarHBondContact O-CB 3.45Å; L158-R161 PolarHBondContact O-N 3.3Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CD2 4.36Å; L158-L162 HydrophobicContact CD1-CG 3.81Å; L158-L162 HydrophobicContact CG-CD1 3.99Å; L158-L162 HydrophobicContact CG-CG 4.43Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.73Å; L158-Y557 HydrophobicContact CD1-CD1 4.44Å; L158-Y557 HydrophobicContact CD1-CE1 4.22Å; L158-L574 HydrophobicContact CD1-CD1 4.29Å; L158-L574 HydrophobicContact CD1-CD2 3.8Å; L158-L574 HydrophobicContact CD2-CD1 4.3Å; L158-F578 HydrophobicContact CB-CE2 3.84Å; L158-F578 HydrophobicContact CB-CZ 3.85Å; L158-F578 HydrophobicContact CD1-CE2 3.82Å; L158-F578 HydrophobicContact CD1-CZ 4.11Å; L158-F578 HydrophobicContact CD2-CE2 4.13Å; L158-F578 HydrophobicContact CG-CE2 4.12Å; L158-F578 HydrophobicContact CG-CZ 4.46Å |
| 159 | E | 79.3 | Confident | 77.7 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -49.5 | -50 | 175.9 | 173.7 | 169.9 | -139.5 | 0 | 0 | 111.2 | L57 L61 W64 K155 R161 L162 L163 | L57-E159 HydrophobicContact CD1-CB 4.3Å; L57-E159 HydrophobicContact CD1-CG 3.97Å; L61-E159 HydrophobicContact CD1-CB 4.34Å; W64-E159 HydrophobicContact CH2-CG 3.67Å; W64-E159 HydrophobicContact CZ2-CG 3.43Å; W64-E159 VanDerWaalsContact CZ2-CG 3.43Å; W64-E159 WeakPolarHBondContact CZ2-OE1 3.2Å; K155-E159 WeakPolarHBondContact O-CB 2.97Å; K155-E159 PolarHBondContact O-N 3.35Å; E159-R161 PolarHBondContact O-N 3.21Å; E159-L162 PolarHBondContact O-N 3.38Å; E159-L163 PolarHBondContact O-N 2.72Å |
| 160 | R | 82.8 | Confident | 79.1 | Confident | 168 Ų | 168 | 61.8 Ų | 61.8 | 63% | 0.634 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 173.7 | -178.3 | 175.2 | 174 | 142.4 | 7.8 | 113.6 | E156 L158 L162 L163 E164 | E156-R160 WeakPolarHBondContact O-CB 3.4Å; E156-R160 PolarHBondContact O-N 2.74Å; L158-R160 VanDerWaalsContact C-N 3.29Å; L158-R160 PolarHBondContact O-N 3.32Å; R160-L162 VanDerWaalsContact C-N 3.31Å; R160-L162 PolarHBondContact O-N 2.83Å; R160-L163 PolarHBondContact O-N 3.03Å; R160-E164 HydrophobicContact CG-CG 4.41Å; R160-E164 WeakPolarHBondContact CG-OE1 3.4Å; R160-E164 IonicContact CZ-OE1 2.73Å; R160-E164 IonicContact NE-OE1 2.68Å; R160-E164 PolarHBondContact NE-OE1 3Å; R160-E164 IonicContact NH2-OE1 3.7Å; R160-E164 PolarHBondContact NH2-OE1 3.4Å; R160-E164 WeakPolarHBondContact O-CB 3.26Å; R160-E164 WeakPolarHBondContact O-CG 3.31Å; R160-E164 PolarHBondContact O-N 2.78Å |
| 161 | R | 83.6 | Confident | 80.2 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.4 | -82.3 | 178.4 | 163.8 | -173.9 | -9.2 | 111.8 | K157 L158 E159 E165 Y557 E581 | K157-R161 WeakPolarHBondContact O-CG 3.47Å; K157-R161 PolarHBondContact O-N 2.83Å; K157-R161 VanDerWaalsContact O-N 3.13Å; L158-R161 WeakPolarHBondContact O-CA 3.37Å; L158-R161 WeakPolarHBondContact O-CB 3.45Å; L158-R161 PolarHBondContact O-N 3.3Å; E159-R161 PolarHBondContact O-N 3.21Å; R161-E165 PolarHBondContact O-N 3.26Å; R161-Y557 HydrophobicContact CB-CD1 4.12Å; R161-Y557 HydrophobicContact CB-CE1 4.19Å; R161-Y557 PolarHBondContact NH1-OH 2.74Å; R161-E581 IonicContact CZ-OE2 3.27Å; R161-E581 IonicContact NH1-OE1 2.77Å; R161-E581 IonicContact NH1-OE2 2.64Å; R161-E581 PolarHBondContact NH1-OE2 2.83Å; R161-E581 IonicContact NH2-OE1 3.33Å; R161-E581 IonicContact NH2-OE2 2.83Å |
| 162 | L | 85.2 | Confident | 81 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 177.2 | -66.9 | 172.5 | 0 | 0 | 0 | 111.7 | L57 L158 E159 R160 E164 E165 L166 Y557 A560 V561 L564 L574 | L57-L162 HydrophobicContact CB-CD1 4.36Å; L57-L162 HydrophobicContact CD1-CB 4.24Å; L57-L162 HydrophobicContact CD1-CD1 4.26Å; L57-L162 HydrophobicContact CD2-CB 4.37Å; L57-L162 HydrophobicContact CD2-CD1 4.3Å; L158-L162 HydrophobicContact CD1-CD1 3.79Å; L158-L162 HydrophobicContact CD1-CD2 4.36Å; L158-L162 HydrophobicContact CD1-CG 3.81Å; L158-L162 HydrophobicContact CG-CD1 3.99Å; L158-L162 HydrophobicContact CG-CG 4.43Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.73Å; E159-L162 PolarHBondContact O-N 3.38Å; R160-L162 VanDerWaalsContact C-N 3.31Å; R160-L162 PolarHBondContact O-N 2.83Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.33Å; L162-E165 PolarHBondContact O-N 2.85Å; L162-L166 WeakPolarHBondContact O-CB 3.44Å; L162-L166 PolarHBondContact O-N 2.84Å; L162-Y557 HydrophobicContact CD2-CD1 4.45Å; L162-A560 HydrophobicContact CD2-CB 3.9Å; L162-V561 HydrophobicContact CB-CG2 4.32Å; L162-V561 HydrophobicContact CD2-CG2 3.9Å; L162-L564 HydrophobicContact CD1-CD1 4.22Å; L162-L574 HydrophobicContact CD1-CD1 4.22Å |
| 163 | L | 85.6 | Confident | 81.3 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 172.1 | -178 | 52.5 | 0 | 0 | 0 | 111.8 | W64 V91 E159 R160 E165 L166 L167 | W64-L163 HydrophobicContact CE3-CD1 4.24Å; W64-L163 HydrophobicContact CH2-CB 3.67Å; W64-L163 HydrophobicContact CH2-CD1 4.31Å; W64-L163 HydrophobicContact CH2-CD2 4.01Å; W64-L163 HydrophobicContact CH2-CG 4.2Å; W64-L163 HydrophobicContact CZ3-CB 3.58Å; W64-L163 HydrophobicContact CZ3-CD1 3.65Å; W64-L163 HydrophobicContact CZ3-CD2 4.19Å; W64-L163 HydrophobicContact CZ3-CG 3.98Å; V91-L163 HydrophobicContact CB-CD1 4.11Å; V91-L163 HydrophobicContact CG1-CD1 3.99Å; V91-L163 HydrophobicContact CG2-CD1 4.1Å; E159-L163 PolarHBondContact O-N 2.72Å; R160-L163 PolarHBondContact O-N 3.03Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 3.48Å; L163-L166 PolarHBondContact O-N 3.32Å; L163-L167 HydrophobicContact CD1-CD1 3.88Å; L163-L167 HydrophobicContact CD1-CG 4Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 VanDerWaalsContact O-CG 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.43Å; L163-L167 PolarHBondContact O-N 3.15Å |
| 164 | E | 87.3 | Confident | 81.7 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -35.6 | -179.6 | -78.6 | -179.3 | -160.8 | 0 | 0 | 111.7 | R160 L162 K168 | R160-E164 HydrophobicContact CG-CG 4.41Å; R160-E164 WeakPolarHBondContact CG-OE1 3.4Å; R160-E164 IonicContact CZ-OE1 2.73Å; R160-E164 IonicContact NE-OE1 2.68Å; R160-E164 PolarHBondContact NE-OE1 3Å; R160-E164 IonicContact NH2-OE1 3.7Å; R160-E164 PolarHBondContact NH2-OE1 3.4Å; R160-E164 WeakPolarHBondContact O-CB 3.26Å; R160-E164 WeakPolarHBondContact O-CG 3.31Å; R160-E164 PolarHBondContact O-N 2.78Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.33Å; E164-K168 VanDerWaalsContact C-NZ 3.27Å; E164-K168 VanDerWaalsContact O-CG 3.29Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.32Å; E164-K168 PolarHBondContact O-NZ 3.42Å |
| 165 | E | 87.3 | Confident | 82.7 | Confident | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -84.4 | -29.8 | 176.3 | -65.7 | -61.1 | 129.3 | 0 | 0 | 113.6 | R161 L162 L163 K168 M169 K554 V561 | R161-E165 PolarHBondContact O-N 3.26Å; L162-E165 PolarHBondContact O-N 2.85Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 3.48Å; E165-K168 PolarHBondContact O-N 2.88Å; E165-K168 WeakPolarHBondContact OE1-CE 3.43Å; E165-K168 IonicContact OE1-NZ 3.76Å; E165-K168 PolarHBondContact OE1-NZ 2.87Å; E165-M169 WeakPolarHBondContact O-CG 3.27Å; E165-M169 PolarHBondContact O-N 3.46Å; E165-K554 IonicContact OE1-NZ 3.74Å; E165-K554 PolarHBondContact OE1-NZ 3.25Å; E165-V561 HydrophobicContact CB-CG2 4.45Å |
| 166 | L | 89.3 | Confident | 83.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 168.6 | 175.5 | 68.3 | 0 | 0 | 0 | 111.3 | I66 I89 V91 L162 L163 K168 M169 F170 V561 M565 | I66-L166 HydrophobicContact CD1-CD1 4.42Å; I66-L166 HydrophobicContact CD1-CD2 3.82Å; I89-L166 HydrophobicContact CD1-CG 4.44Å; V91-L166 HydrophobicContact CG2-CD2 4.47Å; L162-L166 WeakPolarHBondContact O-CB 3.44Å; L162-L166 PolarHBondContact O-N 2.84Å; L163-L166 PolarHBondContact O-N 3.32Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.43Å; L166-M169 WeakPolarHBondContact O-CB 3.27Å; L166-M169 PolarHBondContact O-N 3.22Å; L166-M169 VanDerWaalsContact O-N 3.11Å; L166-F170 HydrophobicContact CD1-CD2 4.17Å; L166-F170 HydrophobicContact CD1-CE2 3.87Å; L166-F170 PolarHBondContact O-N 3.15Å; L166-V561 HydrophobicContact CB-CG1 3.9Å; L166-V561 HydrophobicContact CB-CG2 4.46Å; L166-V561 HydrophobicContact CD1-CG1 3.73Å; L166-V561 HydrophobicContact CG-CG1 4.43Å; L166-M565 HydrophobicContact CD1-SD 4.05Å |
| 167 | L | 88.6 | Confident | 85 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 175.7 | -74.6 | 168.2 | 0 | 0 | 0 | 111.7 | I89 V91 L163 M169 F170 M171 | I89-L167 HydrophobicContact CD1-CD2 4.06Å; I89-L167 HydrophobicContact CG1-CD2 3.87Å; V91-L167 HydrophobicContact CG2-CD2 4.32Å; L163-L167 HydrophobicContact CD1-CD1 3.88Å; L163-L167 HydrophobicContact CD1-CG 4Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 VanDerWaalsContact O-CG 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.43Å; L163-L167 PolarHBondContact O-N 3.15Å; L167-M169 PolarHBondContact O-N 2.87Å; L167-F170 PolarHBondContact O-N 3.41Å; L167-M171 HydrophobicContact CB-CE 4Å; L167-M171 HydrophobicContact CD2-CE 4.43Å; L167-M171 WeakPolarHBondContact O-CB 3.42Å; L167-M171 WeakPolarHBondContact O-CG 3.43Å; L167-M171 PolarHBondContact O-N 3.38Å |
| 168 | K | 87.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 19% | 0.191 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71 | -25.7 | 175.6 | -64.5 | -176.8 | -154.3 | 79.4 | 0 | 113.9 | E164 E165 L166 F170 D172 S173 | E164-K168 VanDerWaalsContact C-NZ 3.27Å; E164-K168 VanDerWaalsContact O-CG 3.29Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.32Å; E164-K168 PolarHBondContact O-NZ 3.42Å; E165-K168 PolarHBondContact O-N 2.88Å; E165-K168 WeakPolarHBondContact OE1-CE 3.43Å; E165-K168 IonicContact OE1-NZ 3.76Å; E165-K168 PolarHBondContact OE1-NZ 2.87Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.43Å; K168-F170 VanDerWaalsContact C-N 3.34Å; K168-D172 HydrophobicContact CB-CB 4.21Å; K168-D172 VanDerWaalsContact CG-OD2 3.28Å; K168-D172 WeakPolarHBondContact CG-OD2 3.42Å; K168-D172 WeakPolarHBondContact O-CB 3.45Å; K168-D172 PolarHBondContact O-N 3.43Å; K168-S173 PolarHBondContact O-N 2.85Å; K168-S173 VanDerWaalsContact O-N 3.15Å; K168-S173 PolarHBondContact O-OG 3.43Å |
| 169 | M | 87.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -33.4 | 174.5 | -84 | 178.1 | 52.7 | 0 | 0 | 112.2 | E165 L166 L167 S173 F176 R558 V561 I562 M565 | E165-M169 WeakPolarHBondContact O-CG 3.27Å; E165-M169 PolarHBondContact O-N 3.46Å; L166-M169 WeakPolarHBondContact O-CB 3.27Å; L166-M169 PolarHBondContact O-N 3.22Å; L166-M169 VanDerWaalsContact O-N 3.11Å; L167-M169 PolarHBondContact O-N 2.87Å; M169-S173 WeakPolarHBondContact O-CB 3.32Å; M169-F176 WeakPolarHBondContact O-CE2 3.32Å; M169-R558 HydrophobicContact CG-CG 4.13Å; M169-R558 HydrophobicContact SD-CG 3.83Å; M169-V561 HydrophobicContact CE-CG1 4.09Å; M169-V561 HydrophobicContact SD-CB 3.91Å; M169-V561 HydrophobicContact SD-CG1 3.56Å; M169-V561 VanDerWaalsContact SD-CG1 3.56Å; M169-I562 HydrophobicContact CE-CG1 3.61Å; M169-I562 HydrophobicContact SD-CG1 4.1Å; M169-M565 HydrophobicContact CE-SD 3.69Å |
| 170 | F | 88.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -87.8 | -47.4 | 174.5 | -76.8 | -89.2 | 0 | 0 | 0 | 113 | I52 V86 I89 L166 L167 K168 F176 M565 | I52-F170 HydrophobicContact CD1-CD1 4.1Å; I52-F170 HydrophobicContact CD1-CE1 3.64Å; I52-F170 HydrophobicContact CD1-CZ 4.14Å; I52-F170 HydrophobicContact CG2-CE1 4.3Å; I52-F170 HydrophobicContact CG2-CZ 4.01Å; V86-F170 HydrophobicContact CG1-CD1 4.07Å; I89-F170 HydrophobicContact CD1-CB 4.12Å; I89-F170 HydrophobicContact CD1-CD2 3.79Å; I89-F170 HydrophobicContact CD1-CE2 4.49Å; I89-F170 HydrophobicContact CD1-CG 4.05Å; I89-F170 HydrophobicContact CG1-CB 4.33Å; I89-F170 HydrophobicContact CG2-CB 3.85Å; I89-F170 HydrophobicContact CG2-CD1 3.76Å; I89-F170 HydrophobicContact CG2-CD2 4.37Å; I89-F170 HydrophobicContact CG2-CE1 4.43Å; I89-F170 HydrophobicContact CG2-CG 3.73Å; L166-F170 HydrophobicContact CD1-CD2 4.17Å; L166-F170 HydrophobicContact CD1-CE2 3.87Å; L166-F170 PolarHBondContact O-N 3.15Å; L167-F170 PolarHBondContact O-N 3.41Å; K168-F170 VanDerWaalsContact C-N 3.34Å; F170-F176 HydrophobicContact CD1-CB 4.22Å; F170-F176 AromaticContact CD1-CD2 3.28Å; F170-F176 HydrophobicContact CD1-CD2 3.28Å; F170-F176 AromaticContact CD1-CE2 3.68Å; F170-F176 HydrophobicContact CD1-CE2 3.68Å; F170-F176 AromaticContact CD1-CG 3.88Å; F170-F176 HydrophobicContact CD1-CG 3.88Å; F170-F176 HydrophobicContact CD2-CD2 4.41Å; F170-F176 AromaticContact CD2-CE2 3.98Å; F170-F176 HydrophobicContact CD2-CE2 3.98Å; F170-F176 HydrophobicContact CE1-CB 4.1Å; F170-F176 HydrophobicContact CE1-CD1 4.08Å; F170-F176 AromaticContact CE1-CD2 3.34Å; F170-F176 HydrophobicContact CE1-CD2 3.34Å; F170-F176 HydrophobicContact CE1-CE1 4.27Å; F170-F176 AromaticContact CE1-CE2 3.56Å; F170-F176 HydrophobicContact CE1-CE2 3.56Å; F170-F176 AromaticContact CE1-CG 3.58Å; F170-F176 HydrophobicContact CE1-CG 3.58Å; F170-F176 HydrophobicContact CE1-CZ 4.01Å; F170-F176 HydrophobicContact CE2-CD2 4.46Å; F170-F176 AromaticContact CE2-CE2 3.88Å; F170-F176 HydrophobicContact CE2-CE2 3.88Å; F170-F176 HydrophobicContact CE2-CZ 4.15Å; F170-F176 AromaticContact CG-CD2 3.86Å; F170-F176 HydrophobicContact CG-CD2 3.86Å; F170-F176 AromaticContact CG-CE2 3.89Å; F170-F176 HydrophobicContact CG-CE2 3.89Å; F170-F176 HydrophobicContact CZ-CD1 4.48Å; F170-F176 AromaticContact CZ-CD2 3.97Å; F170-F176 HydrophobicContact CZ-CD2 3.97Å; F170-F176 HydrophobicContact CZ-CE1 4.24Å; F170-F176 AromaticContact CZ-CE2 3.68Å; F170-F176 HydrophobicContact CZ-CE2 3.68Å; F170-F176 HydrophobicContact CZ-CG 4.33Å; F170-F176 AromaticContact CZ-CZ 3.8Å; F170-F176 HydrophobicContact CZ-CZ 3.8Å; F170-M565 HydrophobicContact CE2-CE 3.68Å; F170-M565 HydrophobicContact CE2-SD 4.27Å; F170-M565 HydrophobicContact CZ-CE 3.59Å |
| 171 | M | 83.3 | Confident | 87.9 | Confident | 65 Ų | 65 | 37.1 Ų | 37.1 | 32% | 0.32 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -70.7 | -174 | -56.5 | -173 | -50.7 | 0 | 0 | 112.2 | K88 L167 S173 E174 | K88-M171 HydrophobicContact CG-SD 4.3Å; L167-M171 HydrophobicContact CB-CE 4Å; L167-M171 HydrophobicContact CD2-CE 4.43Å; L167-M171 WeakPolarHBondContact O-CB 3.42Å; L167-M171 WeakPolarHBondContact O-CG 3.43Å; L167-M171 PolarHBondContact O-N 3.38Å; M171-S173 PolarHBondContact O-N 2.92Å; M171-S173 VanDerWaalsContact O-N 3.12Å; M171-E174 WeakPolarHBondContact O-CG 3.39Å; M171-E174 PolarHBondContact O-N 2.87Å |
| 172 | D | 75.9 | Confident | 88.4 | Confident | 103 Ų | 103 | 35 Ų | 35 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27 | -174.5 | -55 | 19.3 | 0 | 0 | 0 | 113.9 | K168 | K168-D172 HydrophobicContact CB-CB 4.21Å; K168-D172 VanDerWaalsContact CG-OD2 3.28Å; K168-D172 WeakPolarHBondContact CG-OD2 3.42Å; K168-D172 WeakPolarHBondContact O-CB 3.45Å; K168-D172 PolarHBondContact O-N 3.43Å |
| 173 | S | 72.5 | Confident | 88.8 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -17.2 | -175 | -45.5 | 0 | 0 | 0 | 0 | 113.1 | K168 M169 M171 S175 R558 | K168-S173 PolarHBondContact O-N 2.85Å; K168-S173 VanDerWaalsContact O-N 3.15Å; K168-S173 PolarHBondContact O-OG 3.43Å; M169-S173 WeakPolarHBondContact O-CB 3.32Å; M171-S173 PolarHBondContact O-N 2.92Å; M171-S173 VanDerWaalsContact O-N 3.12Å; S173-S175 VanDerWaalsContact CB-OG 3.31Å; S173-S175 WeakPolarHBondContact CB-OG 3.29Å; S173-S175 PolarHBondContact O-N 3.5Å; S173-S175 PolarHBondContact O-OG 3.16Å; S173-R558 PolarHBondContact OG-NH1 3.06Å; S173-R558 PolarHBondContact OG-NH2 3.41Å |
| 174 | E | 81.8 | Confident | 89.4 | Confident | 81 Ų | 81 | 33.3 Ų | 33.3 | 38% | 0.379 | 17% | 0.17 | S | C | . | . | trans | 44.4 | 35.8 | -177.3 | -59.8 | -157.2 | 120.1 | 0 | 0 | 114.8 | K85 M171 | K85-E174 HydrophobicContact CD-CB 4.09Å; K85-E174 WeakPolarHBondContact CE-OE1 3.34Å; K85-E174 IonicContact NZ-OE1 3.92Å; K85-E174 PolarHBondContact NZ-OE1 3.09Å; K85-E174 IonicContact NZ-OE2 3.58Å; K85-E174 PolarHBondContact NZ-OE2 3.35Å; M171-E174 WeakPolarHBondContact O-CG 3.39Å; M171-E174 PolarHBondContact O-N 2.87Å | ||
| 175 | S | 89.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | trans | -97.5 | 3.3 | -157.3 | -70.4 | 0 | 0 | 0 | 0 | 115.9 | S173 Q236 G237 Q515 | S173-S175 VanDerWaalsContact CB-OG 3.31Å; S173-S175 WeakPolarHBondContact CB-OG 3.29Å; S173-S175 PolarHBondContact O-N 3.5Å; S173-S175 PolarHBondContact O-OG 3.16Å; S175-Q236 CarbonylContact O-C 3.57Å; S175-Q236 WeakPolarHBondContact O-CA 3.46Å; S175-G237 PolarHBondContact O-N 3.01Å; S175-Q515 WeakPolarHBondContact OG-CG 3.29Å; S175-Q515 PolarHBondContact OG-NE2 3.43Å | ||
| 176 | F | 96.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.6 | -168.5 | -68.3 | -78.8 | 0 | 0 | 0 | 112.3 | K85 V86 M169 F170 W211 M234 I235 Q236 M565 | K85-F176 WeakPolarHBondContact CA-O 3.24Å; V86-F176 HydrophobicContact CB-CB 4.48Å; V86-F176 PolarHBondContact N-O 2.84Å; M169-F176 WeakPolarHBondContact O-CE2 3.32Å; F170-F176 HydrophobicContact CD1-CB 4.22Å; F170-F176 AromaticContact CD1-CD2 3.28Å; F170-F176 HydrophobicContact CD1-CD2 3.28Å; F170-F176 AromaticContact CD1-CE2 3.68Å; F170-F176 HydrophobicContact CD1-CE2 3.68Å; F170-F176 AromaticContact CD1-CG 3.88Å; F170-F176 HydrophobicContact CD1-CG 3.88Å; F170-F176 HydrophobicContact CD2-CD2 4.41Å; F170-F176 AromaticContact CD2-CE2 3.98Å; F170-F176 HydrophobicContact CD2-CE2 3.98Å; F170-F176 HydrophobicContact CE1-CB 4.1Å; F170-F176 HydrophobicContact CE1-CD1 4.08Å; F170-F176 AromaticContact CE1-CD2 3.34Å; F170-F176 HydrophobicContact CE1-CD2 3.34Å; F170-F176 HydrophobicContact CE1-CE1 4.27Å; F170-F176 AromaticContact CE1-CE2 3.56Å; F170-F176 HydrophobicContact CE1-CE2 3.56Å; F170-F176 AromaticContact CE1-CG 3.58Å; F170-F176 HydrophobicContact CE1-CG 3.58Å; F170-F176 HydrophobicContact CE1-CZ 4.01Å; F170-F176 HydrophobicContact CE2-CD2 4.46Å; F170-F176 AromaticContact CE2-CE2 3.88Å; F170-F176 HydrophobicContact CE2-CE2 3.88Å; F170-F176 HydrophobicContact CE2-CZ 4.15Å; F170-F176 AromaticContact CG-CD2 3.86Å; F170-F176 HydrophobicContact CG-CD2 3.86Å; F170-F176 AromaticContact CG-CE2 3.89Å; F170-F176 HydrophobicContact CG-CE2 3.89Å; F170-F176 HydrophobicContact CZ-CD1 4.48Å; F170-F176 AromaticContact CZ-CD2 3.97Å; F170-F176 HydrophobicContact CZ-CD2 3.97Å; F170-F176 HydrophobicContact CZ-CE1 4.24Å; F170-F176 AromaticContact CZ-CE2 3.68Å; F170-F176 HydrophobicContact CZ-CE2 3.68Å; F170-F176 HydrophobicContact CZ-CG 4.33Å; F170-F176 AromaticContact CZ-CZ 3.8Å; F170-F176 HydrophobicContact CZ-CZ 3.8Å; F176-W211 AromaticContact CE1-CD1 3.58Å; F176-W211 HydrophobicContact CE1-CD2 4.5Å; F176-W211 HydrophobicContact CE1-CG 4.03Å; F176-W211 AromaticContact CE1-NE1 3.75Å; F176-M234 HydrophobicContact CB-CE 4.08Å; F176-I235 WeakPolarHBondContact CA-O 3.25Å; F176-Q236 HydrophobicContact CD1-CB 4.03Å; F176-Q236 HydrophobicContact CD1-CG 4.29Å; F176-Q236 HydrophobicContact CE1-CB 3.82Å; F176-Q236 HydrophobicContact CE1-CG 3.98Å; F176-Q236 VanDerWaalsContact CE1-NE2 3.33Å; F176-Q236 HydrophobicContact CZ-CG 4.36Å; F176-M565 HydrophobicContact CE1-CE 4.28Å; F176-M565 HydrophobicContact CZ-CE 3.91Å |
| 177 | Y | 97.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.8 | -171.7 | -60.4 | -103.3 | 0 | 0 | 0 | 111 | V74 C84 K85 M234 I235 V239 | V74-Y177 HydrophobicContact CG2-CD1 3.87Å; V74-Y177 HydrophobicContact CG2-CE1 3.78Å; C84-Y177 CarbonylContact O-C 3.15Å; C84-Y177 VanDerWaalsContact O-CA 3.3Å; C84-Y177 WeakPolarHBondContact O-CA 3.25Å; K85-Y177 HydrophobicContact CB-CD1 3.9Å; K85-Y177 HydrophobicContact CB-CE1 3.89Å; K85-Y177 HydrophobicContact CD-CE1 3.87Å; K85-Y177 HydrophobicContact CG-CD1 4.02Å; K85-Y177 HydrophobicContact CG-CE1 3.73Å; K85-Y177 HydrophobicContact CG-CE2 4.44Å; Y177-M234 WeakPolarHBondContact O-CA 3.41Å; Y177-I235 PolarHBondContact N-O 2.82Å; Y177-I235 VanDerWaalsContact N-O 3.08Å; Y177-I235 PolarHBondContact O-N 2.78Å; Y177-V239 HydrophobicContact CD1-CB 3.69Å; Y177-V239 HydrophobicContact CD1-CG2 3.78Å; Y177-V239 HydrophobicContact CD2-CG2 4.45Å; Y177-V239 HydrophobicContact CE1-CB 3.73Å; Y177-V239 HydrophobicContact CE1-CG2 4.23Å; Y177-V239 WeakPolarHBondContact CE1-O 3.4Å; Y177-V239 HydrophobicContact CG-CB 4.28Å; Y177-V239 HydrophobicContact CG-CG2 3.87Å; Y177-V239 PolarHBondContact OH-N 2.97Å; Y177-V239 PolarHBondContact OH-O 2.9Å |
| 178 | Y | 97.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.8 | 177.3 | 69.6 | -77.8 | 0 | 0 | 0 | 111.1 | I68 K71 C84 V86 L180 L184 I232 P233 M234 | I68-Y178 HydrophobicContact CD1-CD1 4.43Å; I68-Y178 HydrophobicContact CD1-CE1 3.76Å; I68-Y178 HydrophobicContact CD1-CE2 4.43Å; K71-Y178 WeakPolarHBondContact CD-OH 3.38Å; C84-Y178 HydrophobicContact CB-CD1 3.98Å; C84-Y178 HydrophobicContact CB-CD2 4.48Å; C84-Y178 HydrophobicContact CB-CE1 3.57Å; C84-Y178 HydrophobicContact CB-CE2 4.14Å; C84-Y178 HydrophobicContact CB-CG 4.43Å; C84-Y178 PolarHBondContact N-O 3.27Å; C84-Y178 PolarHBondContact O-N 3.46Å; V86-Y178 HydrophobicContact CG2-CD1 4.13Å; V86-Y178 HydrophobicContact CG2-CE1 3.84Å; Y178-L180 HydrophobicContact CD2-CD2 4.13Å; Y178-L180 HydrophobicContact CD2-CG 4.5Å; Y178-L180 HydrophobicContact CE2-CD2 4.08Å; Y178-L180 HydrophobicContact CE2-CG 4.32Å; Y178-L184 VanDerWaalsContact C-CD1 3.47Å; Y178-I232 HydrophobicContact CD2-CG2 3.38Å; Y178-I232 HydrophobicContact CE2-CD1 4.47Å; Y178-I232 HydrophobicContact CE2-CG2 4.07Å; Y178-I232 HydrophobicContact CG-CG2 3.71Å; Y178-P233 WeakPolarHBondContact CB-O 3.28Å; Y178-M234 HydrophobicContact CD1-CE 4.35Å |
| 179 | S | 96 | Very high | 91.2 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -132.1 | 153.3 | 161.4 | -178.5 | 0 | 0 | 0 | 0 | 108 | E82 T181 Y182 | E82-S179 VanDerWaalsContact O-CB 3.23Å; E82-S179 WeakPolarHBondContact O-CB 3.37Å; E82-S179 PolarHBondContact O-OG 3.45Å; S179-T181 PolarHBondContact OG-N 3.33Å; S179-Y182 WeakPolarHBondContact CB-O 3.46Å; S179-Y182 PolarHBondContact OG-N 3.46Å | ||
| 180 | L | 92.7 | Very high | 91.5 | Very high | 117 Ų | 117 | 30.2 Ų | 30.2 | 61% | 0.613 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -91.1 | -13.8 | 175.3 | -60.6 | 179.1 | 0 | 0 | 0 | 112.3 | Y178 I232 | Y178-L180 HydrophobicContact CD2-CD2 4.13Å; Y178-L180 HydrophobicContact CD2-CG 4.5Å; Y178-L180 HydrophobicContact CE2-CD2 4.08Å; Y178-L180 HydrophobicContact CE2-CG 4.32Å; L180-I232 HydrophobicContact CD2-CD1 4.28Å; L180-I232 HydrophobicContact CD2-CG1 4.1Å; L180-I232 HydrophobicContact CD2-CG2 4.43Å |
| 181 | T | 92.3 | Very high | 91.7 | Very high | 87 Ų | 87 | 33.2 Ų | 33.2 | 53% | 0.534 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -125.8 | -13.4 | -173.8 | 56 | 0 | 0 | 0 | 0 | 114.2 | H81 S179 | H81-T181 PolarHBondContact CE1-O 3.03Å; H81-T181 WeakPolarHBondContact ND1-CB 3.39Å; H81-T181 PolarHBondContact ND1-O 3.33Å; H81-T181 PolarHBondContact ND1-OG1 3.28Å; S179-T181 PolarHBondContact OG-N 3.33Å |
| 182 | Y | 93.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 32.4 Ų | 32.4 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -124.1 | 142.9 | 178.2 | -176.1 | -90.9 | 0 | 0 | 0 | 112.1 | L77 H81 S179 L184 V188 Q191 | L77-Y182 HydrophobicContact CD1-CD1 3.59Å; L77-Y182 HydrophobicContact CD1-CE1 3.6Å; L77-Y182 HydrophobicContact CD1-CG 4.09Å; H81-Y182 HydrophobicContact CB-CD2 4.46Å; H81-Y182 HydrophobicContact CB-CG 4.38Å; H81-Y182 AromaticContact CD2-CD2 3.54Å; S179-Y182 WeakPolarHBondContact CB-O 3.46Å; S179-Y182 PolarHBondContact OG-N 3.46Å; Y182-L184 HydrophobicContact CD1-CD2 3.87Å; Y182-L184 HydrophobicContact CD1-CG 4.26Å; Y182-L184 HydrophobicContact CE1-CD2 4.14Å; Y182-L184 PolarHBondContact O-N 2.99Å; Y182-V188 WeakPolarHBondContact OH-CG2 3.45Å; Y182-Q191 PolarHBondContact OH-NE2 2.84Å |
| 183 | D | 94.7 | Very high | 92 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | trans | -83.9 | 99.9 | 176 | -178.3 | 8.5 | 0 | 0 | 0 | 110.9 | T185 N186 Q191 L201 | D183-T185 VanDerWaalsContact CG-OG1 3.27Å; D183-T185 PolarHBondContact O-N 3.23Å; D183-T185 WeakPolarHBondContact OD1-CA 3.17Å; D183-T185 VanDerWaalsContact OD1-CB 3.26Å; D183-T185 WeakPolarHBondContact OD1-CB 3.5Å; D183-T185 PolarHBondContact OD1-N 2.97Å; D183-T185 PolarHBondContact OD1-OG1 2.84Å; D183-T185 PolarHBondContact OD2-OG1 3.42Å; D183-N186 WeakPolarHBondContact OD2-CB 3.44Å; D183-N186 PolarHBondContact OD2-ND2 3.49Å; D183-Q191 PolarHBondContact O-NE2 2.91Å; D183-L201 HydrophobicContact CB-CD1 3.93Å | ||
| 184 | L | 97 | Very high | 91.8 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -72 | -12.3 | 175.3 | -70.3 | 175.8 | 0 | 0 | 0 | 114 | L77 V83 Y178 Y182 I235 I281 R283 | L77-L184 HydrophobicContact CD1-CD2 3.89Å; V83-L184 HydrophobicContact CG1-CD1 3.94Å; V83-L184 HydrophobicContact CG2-CD1 4.5Å; V83-L184 HydrophobicContact CG2-CD2 4.01Å; Y178-L184 VanDerWaalsContact C-CD1 3.47Å; Y182-L184 HydrophobicContact CD1-CD2 3.87Å; Y182-L184 HydrophobicContact CD1-CG 4.26Å; Y182-L184 HydrophobicContact CE1-CD2 4.14Å; Y182-L184 PolarHBondContact O-N 2.99Å; L184-I235 HydrophobicContact CB-CD1 4.14Å; L184-I235 HydrophobicContact CB-CG1 4.32Å; L184-I235 HydrophobicContact CB-CG2 4.18Å; L184-I281 HydrophobicContact CD2-CD1 4.28Å; L184-R283 VanDerWaalsContact O-CD 3.23Å; L184-R283 WeakPolarHBondContact O-CD 3.46Å; L184-R283 PolarHBondContact O-NH1 2.99Å; L184-R283 VanDerWaalsContact O-NH1 3.07Å |
| 185 | T | 97.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -83 | -33.4 | -176.6 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | D183 R190 V205 D206 F209 I235 R283 | D183-T185 VanDerWaalsContact CG-OG1 3.27Å; D183-T185 PolarHBondContact O-N 3.23Å; D183-T185 WeakPolarHBondContact OD1-CA 3.17Å; D183-T185 VanDerWaalsContact OD1-CB 3.26Å; D183-T185 WeakPolarHBondContact OD1-CB 3.5Å; D183-T185 PolarHBondContact OD1-N 2.97Å; D183-T185 PolarHBondContact OD1-OG1 2.84Å; D183-T185 PolarHBondContact OD2-OG1 3.42Å; T185-R190 PolarHBondContact O-NH2 3.45Å; T185-V205 HydrophobicContact CG2-CB 3.99Å; T185-V205 HydrophobicContact CG2-CG1 4.08Å; T185-V205 VanDerWaalsContact OG1-CA 3.25Å; T185-V205 WeakPolarHBondContact OG1-CA 3.39Å; T185-V205 WeakPolarHBondContact OG1-CB 3.41Å; T185-D206 WeakPolarHBondContact O-CB 3.38Å; T185-D206 PolarHBondContact OG1-N 2.91Å; T185-F209 HydrophobicContact CG2-CB 4.41Å; T185-F209 VanDerWaalsContact O-CD2 3.29Å; T185-F209 WeakPolarHBondContact O-CD2 3.32Å; T185-I235 HydrophobicContact CG2-CG2 3.84Å; T185-R283 WeakPolarHBondContact O-CD 3.43Å; T185-R283 PolarHBondContact O-NE 2.68Å |
| 186 | N | 96.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -94.6 | 148.6 | 176 | -83.4 | -64.8 | 0 | 0 | 0 | 111.9 | D183 R190 Q191 K204 D206 R283 | D183-N186 WeakPolarHBondContact OD2-CB 3.44Å; D183-N186 PolarHBondContact OD2-ND2 3.49Å; N186-R190 HydrophobicContact CB-CB 4.06Å; N186-R190 WeakPolarHBondContact OD1-CB 3.32Å; N186-R190 WeakPolarHBondContact OD1-CD 3.36Å; N186-R190 PolarHBondContact OD1-NE 3.26Å; N186-Q191 HydrophobicContact CB-CG 3.63Å; N186-Q191 PolarHBondContact O-NE2 3Å; N186-K204 PolarHBondContact ND2-O 3.14Å; N186-D206 PolarHBondContact ND2-N 2.94Å; N186-R283 PolarHBondContact O-NH1 3.17Å |
| 187 | S | 96.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | trans | -69.7 | 158.5 | 165.4 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | Q189 R190 Q191 E311 | S187-Q189 PolarHBondContact O-N 3.33Å; S187-R190 PolarHBondContact O-N 3.16Å; S187-R190 PolarHBondContact OG-N 3.41Å; S187-R190 PolarHBondContact OG-NH1 3.23Å; S187-Q191 WeakPolarHBondContact O-CG 3.2Å; S187-Q191 PolarHBondContact O-N 3.48Å; S187-E311 WeakPolarHBondContact CA-OE1 3.45Å; S187-E311 WeakPolarHBondContact CB-OE1 3.3Å | ||
| 188 | V | 95.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.4 | -41.6 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | Y182 R190 Q191 S192 E311 L313 T320 V441 | Y182-V188 WeakPolarHBondContact OH-CG2 3.45Å; V188-R190 PolarHBondContact O-N 3.44Å; V188-Q191 PolarHBondContact O-N 3.45Å; V188-S192 WeakPolarHBondContact O-CB 3.45Å; V188-S192 PolarHBondContact O-N 3.45Å; V188-S192 PolarHBondContact O-OG 2.86Å; V188-E311 PolarHBondContact N-OE1 2.95Å; V188-L313 HydrophobicContact CB-CD2 4.38Å; V188-L313 HydrophobicContact CG2-CD1 4.21Å; V188-L313 HydrophobicContact CG2-CD2 3.57Å; V188-T320 HydrophobicContact CG1-CG2 4.4Å; V188-T320 HydrophobicContact CG2-CG2 4.34Å; V188-V441 HydrophobicContact CG1-CB 4.5Å; V188-V441 HydrophobicContact CG1-CG2 3.79Å |
| 189 | Q | 94.8 | Very high | 86.6 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 175.4 | -176.8 | 153.9 | -64.3 | 0 | 0 | 112.5 | S187 Q191 S192 T193 C439 K449 Q450 | S187-Q189 PolarHBondContact O-N 3.33Å; Q189-Q191 VanDerWaalsContact C-N 3.35Å; Q189-Q191 PolarHBondContact O-N 2.66Å; Q189-S192 PolarHBondContact O-N 3Å; Q189-T193 HydrophobicContact CG-CG2 4.35Å; Q189-T193 WeakPolarHBondContact O-CB 3.33Å; Q189-T193 WeakPolarHBondContact O-CG2 3.49Å; Q189-T193 PolarHBondContact O-N 3.19Å; Q189-T193 PolarHBondContact O-OG1 3.38Å; Q189-C439 HydrophobicContact CB-CB 3.89Å; Q189-C439 HydrophobicContact CG-CB 4.44Å; Q189-K449 VanDerWaalsContact OE1-CA 3.3Å; Q189-Q450 PolarHBondContact NE2-O 2.99Å |
| 190 | R | 93 | Very high | 86.1 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 18% | 0.177 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | -179 | -70.6 | -165.1 | -64.3 | -84.5 | 8 | 111.1 | T185 N186 S187 V188 T193 G194 D206 E309 | T185-R190 PolarHBondContact O-NH2 3.45Å; N186-R190 HydrophobicContact CB-CB 4.06Å; N186-R190 WeakPolarHBondContact OD1-CB 3.32Å; N186-R190 WeakPolarHBondContact OD1-CD 3.36Å; N186-R190 PolarHBondContact OD1-NE 3.26Å; S187-R190 PolarHBondContact O-N 3.16Å; S187-R190 PolarHBondContact OG-N 3.41Å; S187-R190 PolarHBondContact OG-NH1 3.23Å; V188-R190 PolarHBondContact O-N 3.44Å; R190-T193 PolarHBondContact O-N 2.95Å; R190-T193 PolarHBondContact O-OG1 2.92Å; R190-G194 PolarHBondContact O-N 2.87Å; R190-D206 IonicContact CZ-OD2 3.79Å; R190-D206 VanDerWaalsContact CZ-OD2 3.27Å; R190-D206 IonicContact NE-OD2 3.56Å; R190-D206 PolarHBondContact NE-OD2 3.07Å; R190-D206 IonicContact NH2-OD2 3.32Å; R190-D206 PolarHBondContact NH2-OD2 2.85Å; R190-E309 IonicContact CZ-OE1 2.73Å; R190-E309 IonicContact CZ-OE2 3.1Å; R190-E309 IonicContact NH1-OE1 3.53Å; R190-E309 PolarHBondContact NH1-OE1 2.89Å; R190-E309 IonicContact NH1-OE2 3.35Å; R190-E309 PolarHBondContact NH1-OE2 2.81Å; R190-E309 IonicContact NH2-OE1 3.63Å; R190-E309 PolarHBondContact NH2-OE1 2.89Å; R190-E309 IonicContact NH2-OE2 3.22Å; R190-E309 PolarHBondContact NH2-OE2 2.91Å |
| 191 | Q | 91.6 | Very high | 85.9 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 177.2 | -64 | -177.4 | 61.6 | 0 | 0 | 112.3 | Y182 D183 N186 S187 V188 Q189 T193 G194 | Y182-Q191 PolarHBondContact OH-NE2 2.84Å; D183-Q191 PolarHBondContact O-NE2 2.91Å; N186-Q191 HydrophobicContact CB-CG 3.63Å; N186-Q191 PolarHBondContact O-NE2 3Å; S187-Q191 WeakPolarHBondContact O-CG 3.2Å; S187-Q191 PolarHBondContact O-N 3.48Å; V188-Q191 PolarHBondContact O-N 3.45Å; Q189-Q191 VanDerWaalsContact C-N 3.35Å; Q189-Q191 PolarHBondContact O-N 2.66Å; Q191-T193 VanDerWaalsContact C-N 3.34Å; Q191-T193 PolarHBondContact O-N 2.92Å; Q191-G194 PolarHBondContact O-N 3.32Å |
| 192 | S | 88.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -79.4 | -9.7 | -178.7 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | V188 Q189 V446 | V188-S192 WeakPolarHBondContact O-CB 3.45Å; V188-S192 PolarHBondContact O-N 3.45Å; V188-S192 PolarHBondContact O-OG 2.86Å; Q189-S192 PolarHBondContact O-N 3Å; S192-V446 WeakPolarHBondContact O-CG2 3.32Å |
| 193 | T | 78.3 | Confident | 85.6 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -94.7 | -9.3 | 170.1 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | Q189 R190 Q191 K449 | Q189-T193 HydrophobicContact CG-CG2 4.35Å; Q189-T193 WeakPolarHBondContact O-CB 3.33Å; Q189-T193 WeakPolarHBondContact O-CG2 3.49Å; Q189-T193 PolarHBondContact O-N 3.19Å; Q189-T193 PolarHBondContact O-OG1 3.38Å; R190-T193 PolarHBondContact O-N 2.95Å; R190-T193 PolarHBondContact O-OG1 2.92Å; Q191-T193 VanDerWaalsContact C-N 3.34Å; Q191-T193 PolarHBondContact O-N 2.92Å; T193-K449 HydrophobicContact CG2-CD 4.36Å |
| 194 | G | 67.1 | Low | 85.3 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75 | 155.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R190 Q191 | R190-G194 PolarHBondContact O-N 2.87Å; Q191-G194 PolarHBondContact O-N 3.32Å |
| 195 | E | 61.9 | Low | 85.1 | Confident | 183 Ų | 183 | 64.3 Ų | 64.3 | 86% | 0.855 | 33% | 0.334 | S | S | * | . | trans | -63.3 | 156.3 | 166.3 | -62.7 | -174.3 | 155.4 | 0 | 0 | 110.5 | D197 | E195-D197 PolarHBondContact O-N 3.15Š| ||
| 196 | R | 66.2 | Low | 85.1 | Confident | 255 Ų | 255 | 65.1 Ų | 65.1 | 96% | 0.962 | 34% | 0.338 | S | S | * | . | trans | -73.9 | 66.8 | 173.3 | -73.9 | -166.1 | 179.9 | -163 | 3.1 | 111.2 | ||||
| 197 | D | 65.7 | Low | 85 | Confident | 54 Ų | 54 | 67 Ų | 67 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | trans | -69.5 | 138.1 | -178 | -173.8 | -28.6 | 0 | 0 | 0 | 111.3 | E195 R199 K204 | E195-D197 PolarHBondContact O-N 3.15Å; D197-R199 VanDerWaalsContact C-N 3.31Å; D197-R199 PolarHBondContact O-N 3.14Å; D197-R199 VanDerWaalsContact OD1-CB 3.25Å; D197-R199 WeakPolarHBondContact OD1-CB 3.46Å; D197-R199 VanDerWaalsContact OD1-CG 3.27Å; D197-R199 WeakPolarHBondContact OD1-CG 3.28Å; D197-R199 PolarHBondContact OD1-N 3.5Å; D197-R199 IonicContact OD1-NE 3.51Å; D197-R199 PolarHBondContact OD1-NE 2.75Å; D197-R199 IonicContact OD2-CZ 2.73Å; D197-R199 IonicContact OD2-NE 3.78Å; D197-R199 PolarHBondContact OD2-NE 2.99Å; D197-R199 IonicContact OD2-NH2 3.09Å; D197-R199 PolarHBondContact OD2-NH2 3.23Å; D197-K204 VanDerWaalsContact O-CE 3.29Å; D197-K204 WeakPolarHBondContact O-CE 3.26Å; D197-K204 PolarHBondContact O-NZ 3.29Å | ||
| 198 | G | 75.1 | Confident | 85 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 86% | 0.856 | 35% | 0.35 | S | S | * | . | trans | -76.4 | -9.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 199 | R | 85.4 | Confident | 85.1 | Confident | 122 Ų | 122 | 67.1 Ų | 67.1 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -58.9 | 149.8 | -176 | -80 | -174.8 | -67.6 | 158.5 | -1.1 | 113.8 | D197 Q203 K204 | D197-R199 VanDerWaalsContact C-N 3.31Å; D197-R199 PolarHBondContact O-N 3.14Å; D197-R199 VanDerWaalsContact OD1-CB 3.25Å; D197-R199 WeakPolarHBondContact OD1-CB 3.46Å; D197-R199 VanDerWaalsContact OD1-CG 3.27Å; D197-R199 WeakPolarHBondContact OD1-CG 3.28Å; D197-R199 PolarHBondContact OD1-N 3.5Å; D197-R199 IonicContact OD1-NE 3.51Å; D197-R199 PolarHBondContact OD1-NE 2.75Å; D197-R199 IonicContact OD2-CZ 2.73Å; D197-R199 IonicContact OD2-NE 3.78Å; D197-R199 PolarHBondContact OD2-NE 2.99Å; D197-R199 IonicContact OD2-NH2 3.09Å; D197-R199 PolarHBondContact OD2-NH2 3.23Å; R199-Q203 HydrophobicContact CB-CB 4.22Å; R199-Q203 VanDerWaalsContact CD-OE1 3.28Å; R199-Q203 PolarHBondContact NH1-O 3.17Å; R199-K204 WeakPolarHBondContact O-CE 3.39Å; R199-K204 PolarHBondContact O-NZ 3.3Å |
| 200 | P | 86.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | trans | -61.4 | 154.9 | 174.7 | 29.9 | -39 | 0 | 0 | 0 | 111.8 | W202 Q203 N228 | P200-W202 VanDerWaalsContact C-N 3.28Å; P200-W202 PolarHBondContact O-N 2.91Å; P200-W202 VanDerWaalsContact O-N 3.14Å; P200-Q203 HydrophobicContact CG-CB 4.32Å; P200-Q203 HydrophobicContact CG-CG 3.87Å; P200-Q203 PolarHBondContact O-N 2.92Å; P200-N228 HydrophobicContact CB-CB 3.98Å; P200-N228 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 201 | L | 87.3 | Confident | 85.3 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -45.8 | -50.2 | -174.9 | -170.3 | 72.1 | 0 | 0 | 0 | 112.7 | D183 Q203 K204 V205 P233 | D183-L201 HydrophobicContact CB-CD1 3.93Å; L201-Q203 PolarHBondContact O-N 3.08Å; L201-Q203 VanDerWaalsContact O-N 3.1Å; L201-K204 PolarHBondContact O-N 2.97Å; L201-V205 WeakPolarHBondContact O-CG1 3.14Å; L201-P233 HydrophobicContact CD2-CG 4.42Å |
| 202 | W | 89.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.9 | -11.8 | -175.2 | 74 | -95.4 | 0 | 0 | 0 | 115.8 | P200 V205 F210 T220 N228 I231 P233 | P200-W202 VanDerWaalsContact C-N 3.28Å; P200-W202 PolarHBondContact O-N 2.91Å; P200-W202 VanDerWaalsContact O-N 3.14Å; W202-V205 VanDerWaalsContact O-CG2 3.23Å; W202-V205 WeakPolarHBondContact O-CG2 3.23Å; W202-F210 HydrophobicContact CB-CE1 4.33Å; W202-F210 HydrophobicContact CB-CZ 4.32Å; W202-T220 HydrophobicContact CE3-CG2 3.97Å; W202-T220 HydrophobicContact CH2-CG2 4.15Å; W202-T220 HydrophobicContact CZ3-CG2 3.63Å; W202-N228 PolarHBondContact NE1-OD1 3.04Å; W202-I231 HydrophobicContact CB-CB 4.38Å; W202-I231 HydrophobicContact CB-CG2 3.39Å; W202-I231 HydrophobicContact CD2-CD1 3.81Å; W202-I231 HydrophobicContact CD2-CG2 3.96Å; W202-I231 VanDerWaalsContact CE2-CD1 3.43Å; W202-I231 HydrophobicContact CE3-CD1 4.37Å; W202-I231 HydrophobicContact CG-CB 4.04Å; W202-I231 HydrophobicContact CG-CD1 4.18Å; W202-I231 HydrophobicContact CG-CG2 3.43Å; W202-I231 VanDerWaalsContact CG-CG2 3.43Å; W202-I231 HydrophobicContact CH2-CD1 4.28Å; W202-I231 HydrophobicContact CZ2-CD1 3.7Å; W202-P233 HydrophobicContact CB-CG 3.75Å |
| 203 | Q | 89.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -95.4 | -6.2 | 175.5 | -67.6 | -179.5 | 0.2 | 0 | 0 | 113.3 | R199 P200 L201 | R199-Q203 HydrophobicContact CB-CB 4.22Å; R199-Q203 VanDerWaalsContact CD-OE1 3.28Å; R199-Q203 PolarHBondContact NH1-O 3.17Å; P200-Q203 HydrophobicContact CG-CB 4.32Å; P200-Q203 HydrophobicContact CG-CG 3.87Å; P200-Q203 PolarHBondContact O-N 2.92Å; L201-Q203 PolarHBondContact O-N 3.08Å; L201-Q203 VanDerWaalsContact O-N 3.1Å |
| 204 | K | 89.6 | Confident | 86.6 | Confident | 87 Ų | 87 | 62.1 Ų | 62.1 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -15.6 | 178.6 | -68.8 | 162.3 | 166.4 | 164.2 | 0 | 113.3 | N186 D197 R199 L201 | N186-K204 PolarHBondContact ND2-O 3.14Å; D197-K204 VanDerWaalsContact O-CE 3.29Å; D197-K204 WeakPolarHBondContact O-CE 3.26Å; D197-K204 PolarHBondContact O-NZ 3.29Å; R199-K204 WeakPolarHBondContact O-CE 3.39Å; R199-K204 PolarHBondContact O-NZ 3.3Å; L201-K204 PolarHBondContact O-N 2.97Å |
| 205 | V | 93.6 | Very high | 87.8 | Confident | 22 Ų | 22 | 60 Ų | 60 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -61.6 | 148.9 | -174.3 | -61.7 | 0 | 0 | 0 | 0 | 114.1 | T185 L201 W202 D207 F210 P233 | T185-V205 HydrophobicContact CG2-CB 3.99Å; T185-V205 HydrophobicContact CG2-CG1 4.08Å; T185-V205 VanDerWaalsContact OG1-CA 3.25Å; T185-V205 WeakPolarHBondContact OG1-CA 3.39Å; T185-V205 WeakPolarHBondContact OG1-CB 3.41Å; L201-V205 WeakPolarHBondContact O-CG1 3.14Å; W202-V205 VanDerWaalsContact O-CG2 3.23Å; W202-V205 WeakPolarHBondContact O-CG2 3.23Å; V205-D207 PolarHBondContact O-N 2.96Å; V205-F210 HydrophobicContact CB-CD1 4.5Å; V205-F210 HydrophobicContact CG2-CB 4.17Å; V205-F210 HydrophobicContact CG2-CD1 3.33Å; V205-F210 HydrophobicContact CG2-CE1 3.86Å; V205-F210 HydrophobicContact CG2-CG 4.01Å; V205-P233 HydrophobicContact CG1-CB 3.92Å; V205-P233 HydrophobicContact CG1-CG 3.97Å |
| 206 | D | 95.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | trans | -68.8 | 106.9 | 167.4 | -167.3 | -29.4 | 0 | 0 | 0 | 109.1 | T185 N186 R190 R208 F209 F210 | T185-D206 WeakPolarHBondContact O-CB 3.38Å; T185-D206 PolarHBondContact OG1-N 2.91Å; N186-D206 PolarHBondContact ND2-N 2.94Å; R190-D206 IonicContact CZ-OD2 3.79Å; R190-D206 VanDerWaalsContact CZ-OD2 3.27Å; R190-D206 IonicContact NE-OD2 3.56Å; R190-D206 PolarHBondContact NE-OD2 3.07Å; R190-D206 IonicContact NH2-OD2 3.32Å; R190-D206 PolarHBondContact NH2-OD2 2.85Å; D206-R208 PolarHBondContact O-N 3.34Å; D206-R208 VanDerWaalsContact O-N 3.09Å; D206-R208 VanDerWaalsContact OD1-CB 3.27Å; D206-R208 WeakPolarHBondContact OD1-CB 3.48Å; D206-R208 VanDerWaalsContact OD1-CG 3.31Å; D206-R208 WeakPolarHBondContact OD1-CG 3.44Å; D206-R208 IonicContact OD1-CZ 3.01Å; D206-R208 PolarHBondContact OD1-N 3.11Å; D206-R208 IonicContact OD1-NE 2.71Å; D206-R208 PolarHBondContact OD1-NE 2.79Å; D206-R208 IonicContact OD1-NH2 3.19Å; D206-R208 IonicContact OD2-CZ 3.83Å; D206-R208 IonicContact OD2-NE 3.78Å; D206-R208 PolarHBondContact OD2-NE 3.47Å; D206-R208 IonicContact OD2-NH2 2.71Å; D206-R208 PolarHBondContact OD2-NH2 3.35Å; D206-F209 HydrophobicContact CB-CD2 3.95Å; D206-F209 PolarHBondContact O-N 2.98Å; D206-F209 WeakPolarHBondContact OD2-CD2 3.41Å; D206-F209 WeakPolarHBondContact OD2-CE2 3.22Å; D206-F210 PolarHBondContact O-N 2.94Å | ||
| 207 | D | 95.1 | Very high | 90.5 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -48.7 | -40.5 | -179.3 | 175.9 | 86.1 | 0 | 0 | 0 | 111.8 | V205 F209 F210 K213 R286 H287 | V205-D207 PolarHBondContact O-N 2.96Å; D207-F209 PolarHBondContact O-N 3.31Å; D207-F210 PolarHBondContact O-N 2.71Å; D207-F210 VanDerWaalsContact O-N 3.12Å; D207-K213 WeakPolarHBondContact OD1-CD 3.03Å; D207-K213 IonicContact OD1-NZ 2.7Å; D207-K213 PolarHBondContact OD1-NZ 2.83Å; D207-R286 WeakPolarHBondContact O-CD 3.47Å; D207-H287 IonicContact OD2-CE1 2.86Å; D207-H287 PolarHBondContact OD2-CE1 3.42Å; D207-H287 VanDerWaalsContact OD2-CE1 3.32Å; D207-H287 IonicContact OD2-NE2 2.66Å; D207-H287 PolarHBondContact OD2-NE2 3.25Å |
| 208 | R | 95.7 | Very high | 91.6 | Very high | 20 Ų | 20 | 42 Ų | 42 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -55 | -29.4 | -178.3 | -53.3 | 176 | -60.2 | 158 | 5 | 111.4 | D206 S285 R286 E309 E364 Y369 | D206-R208 PolarHBondContact O-N 3.34Å; D206-R208 VanDerWaalsContact O-N 3.09Å; D206-R208 VanDerWaalsContact OD1-CB 3.27Å; D206-R208 WeakPolarHBondContact OD1-CB 3.48Å; D206-R208 VanDerWaalsContact OD1-CG 3.31Å; D206-R208 WeakPolarHBondContact OD1-CG 3.44Å; D206-R208 IonicContact OD1-CZ 3.01Å; D206-R208 PolarHBondContact OD1-N 3.11Å; D206-R208 IonicContact OD1-NE 2.71Å; D206-R208 PolarHBondContact OD1-NE 2.79Å; D206-R208 IonicContact OD1-NH2 3.19Å; D206-R208 IonicContact OD2-CZ 3.83Å; D206-R208 IonicContact OD2-NE 3.78Å; D206-R208 PolarHBondContact OD2-NE 3.47Å; D206-R208 IonicContact OD2-NH2 2.71Å; D206-R208 PolarHBondContact OD2-NH2 3.35Å; R208-S285 CarbonylContact O-C 3.56Å; R208-S285 WeakPolarHBondContact O-CA 3.47Å; R208-S285 PolarHBondContact O-OG 2.96Å; R208-R286 WeakPolarHBondContact O-CG 3.42Å; R208-R286 PolarHBondContact O-N 2.98Å; R208-E309 IonicContact NH2-OE2 2.65Å; R208-E364 WeakPolarHBondContact CD-OE1 3.42Å; R208-E364 IonicContact NH1-OE1 3.79Å; R208-Y369 PolarHBondContact NH1-OH 2.91Å; R208-Y369 PolarHBondContact NH2-OH 3.02Å |
| 209 | F | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -112 | -2.7 | -177.1 | -53.4 | -60.9 | 0 | 0 | 0 | 114.6 | T185 D206 D207 W211 I235 R283 Y307 E309 | T185-F209 HydrophobicContact CG2-CB 4.41Å; T185-F209 VanDerWaalsContact O-CD2 3.29Å; T185-F209 WeakPolarHBondContact O-CD2 3.32Å; D206-F209 HydrophobicContact CB-CD2 3.95Å; D206-F209 PolarHBondContact O-N 2.98Å; D206-F209 WeakPolarHBondContact OD2-CD2 3.41Å; D206-F209 WeakPolarHBondContact OD2-CE2 3.22Å; D207-F209 PolarHBondContact O-N 3.31Å; F209-W211 VanDerWaalsContact C-N 3.35Å; F209-W211 PolarHBondContact O-N 3.14Å; F209-I235 HydrophobicContact CB-CG2 4.28Å; F209-R283 HydrophobicContact CB-CB 4.11Å; F209-R283 HydrophobicContact CD1-CB 3.4Å; F209-R283 HydrophobicContact CD2-CB 4.15Å; F209-R283 HydrophobicContact CE1-CB 3.75Å; F209-R283 VanDerWaalsContact CE1-O 3.24Å; F209-R283 WeakPolarHBondContact CE1-O 3.48Å; F209-R283 HydrophobicContact CE2-CB 4.44Å; F209-R283 HydrophobicContact CG-CB 3.61Å; F209-R283 HydrophobicContact CG-CG 4.32Å; F209-R283 HydrophobicContact CZ-CB 4.26Å; F209-Y307 HydrophobicContact CE1-CD1 4.3Å; F209-Y307 HydrophobicContact CZ-CD1 4.21Å; F209-Y307 HydrophobicContact CZ-CE1 4.03Å; F209-E309 HydrophobicContact CE1-CB 4.26Å; F209-E309 HydrophobicContact CE2-CB 4.14Å; F209-E309 HydrophobicContact CZ-CB 3.56Å |
| 210 | F | 96.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | trans | -75.3 | 84.3 | 173.3 | -167.1 | 175.5 | 0 | 0 | 0 | 110.1 | W202 V205 D206 D207 N212 K213 I216 I231 P233 R286 | W202-F210 HydrophobicContact CB-CE1 4.33Å; W202-F210 HydrophobicContact CB-CZ 4.32Å; V205-F210 HydrophobicContact CB-CD1 4.5Å; V205-F210 HydrophobicContact CG2-CB 4.17Å; V205-F210 HydrophobicContact CG2-CD1 3.33Å; V205-F210 HydrophobicContact CG2-CE1 3.86Å; V205-F210 HydrophobicContact CG2-CG 4.01Å; D206-F210 PolarHBondContact O-N 2.94Å; D207-F210 PolarHBondContact O-N 2.71Å; D207-F210 VanDerWaalsContact O-N 3.12Å; F210-N212 WeakPolarHBondContact CD2-OD1 3.46Å; F210-N212 WeakPolarHBondContact CE2-OD1 3.29Å; F210-N212 PolarHBondContact O-N 2.75Å; F210-K213 HydrophobicContact CB-CB 4.27Å; F210-K213 HydrophobicContact CD1-CB 3.85Å; F210-K213 HydrophobicContact CD1-CD 3.88Å; F210-K213 HydrophobicContact CD1-CG 3.96Å; F210-K213 HydrophobicContact CD2-CB 3.93Å; F210-K213 HydrophobicContact CE1-CB 4.24Å; F210-K213 HydrophobicContact CE1-CD 4.42Å; F210-K213 HydrophobicContact CE1-CG 4.16Å; F210-K213 HydrophobicContact CE2-CB 4.25Å; F210-K213 HydrophobicContact CG-CB 3.74Å; F210-K213 HydrophobicContact CG-CD 4.41Å; F210-K213 HydrophobicContact CG-CG 4.36Å; F210-K213 HydrophobicContact CZ-CB 4.44Å; F210-K213 WeakPolarHBondContact O-CB 3.44Å; F210-K213 PolarHBondContact O-N 3.39Å; F210-I216 HydrophobicContact CE2-CD1 3.91Å; F210-I216 HydrophobicContact CZ-CD1 3.66Å; F210-I231 HydrophobicContact CZ-CG2 4.06Å; F210-P233 HydrophobicContact CD2-CB 4.24Å; F210-P233 HydrophobicContact CE2-CB 4.04Å; F210-P233 HydrophobicContact CE2-CG 4.46Å; F210-P233 HydrophobicContact CZ-CB 4.34Å; F210-P233 HydrophobicContact CZ-CG 4.32Å; F210-R286 PolarHBondContact O-NH1 3.33Å | ||
| 211 | W | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -43.8 | -165.2 | -168 | -83.4 | 0 | 0 | 0 | 113.6 | F176 F209 K213 M234 Q236 R284 S285 R286 A289 I562 Q566 | F176-W211 AromaticContact CE1-CD1 3.58Å; F176-W211 HydrophobicContact CE1-CD2 4.5Å; F176-W211 HydrophobicContact CE1-CG 4.03Å; F176-W211 AromaticContact CE1-NE1 3.75Å; F209-W211 VanDerWaalsContact C-N 3.35Å; F209-W211 PolarHBondContact O-N 3.14Å; W211-K213 VanDerWaalsContact C-N 3.35Å; W211-M234 VanDerWaalsContact CB-O 3.29Å; W211-M234 WeakPolarHBondContact CB-O 3.38Å; W211-M234 PolarHBondContact N-O 3.11Å; W211-Q236 HydrophobicContact CB-CB 4.5Å; W211-Q236 HydrophobicContact CD2-CB 3.56Å; W211-Q236 HydrophobicContact CE3-CB 3.49Å; W211-Q236 VanDerWaalsContact CE3-CB 3.49Å; W211-Q236 HydrophobicContact CG-CB 4.02Å; W211-Q236 HydrophobicContact CH2-CB 4.34Å; W211-Q236 VanDerWaalsContact CH2-OE1 3.29Å; W211-Q236 HydrophobicContact CZ2-CB 4.45Å; W211-Q236 HydrophobicContact CZ3-CB 3.89Å; W211-R284 HydrophobicContact CZ3-CB 4.24Å; W211-R284 HydrophobicContact CZ3-CG 4.08Å; W211-S285 VanDerWaalsContact CZ3-O 3.31Å; W211-S285 WeakPolarHBondContact CZ3-O 3.37Å; W211-R286 HydrophobicContact CE3-CB 4.37Å; W211-R286 PolarHBondContact O-NH1 3.16Å; W211-R286 VanDerWaalsContact O-NH1 3.14Å; W211-A289 HydrophobicContact CH2-CB 3.5Å; W211-A289 VanDerWaalsContact CH2-CB 3.5Å; W211-A289 HydrophobicContact CZ2-CB 4.24Å; W211-A289 HydrophobicContact CZ3-CB 4.17Å; W211-I562 HydrophobicContact CZ2-CG2 4.39Å; W211-Q566 VanDerWaalsContact NE1-NE2 3.16Å; W211-Q566 PolarHBondContact O-NE2 3.14Å; W211-Q566 PolarHBondContact O-OE1 3.32Å |
| 212 | N | 95.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 1.7 | -175.6 | 63.5 | -45.7 | 0 | 0 | 0 | 114.2 | I52 F210 Y214 M215 I216 I232 M234 | I52-N212 HydrophobicContact CG2-CB 4.44Å; I52-N212 PolarHBondContact O-ND2 2.81Å; I52-N212 VanDerWaalsContact O-ND2 3.17Å; F210-N212 WeakPolarHBondContact CD2-OD1 3.46Å; F210-N212 WeakPolarHBondContact CE2-OD1 3.29Å; F210-N212 PolarHBondContact O-N 2.75Å; N212-Y214 VanDerWaalsContact C-N 3.3Å; N212-Y214 PolarHBondContact O-N 3.34Å; N212-Y214 VanDerWaalsContact O-N 3.12Å; N212-M215 HydrophobicContact CB-SD 4.26Å; N212-M215 WeakPolarHBondContact O-CA 3.29Å; N212-M215 WeakPolarHBondContact O-CB 3.33Å; N212-M215 PolarHBondContact O-N 3.34Å; N212-I216 PolarHBondContact O-N 2.86Å; N212-I232 PolarHBondContact ND2-O 2.83Å; N212-I232 PolarHBondContact OD1-O 3.08Å; N212-M234 HydrophobicContact CB-SD 4.49Å; N212-M234 WeakPolarHBondContact OD1-CB 3.23Å; N212-M234 PolarHBondContact OD1-N 3.35Å |
| 213 | K | 94.9 | Very high | 92 | Very high | 81 Ų | 81 | 40.1 Ų | 40.1 | 35% | 0.352 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -46.3 | -46.7 | -174.3 | -176.5 | 176 | 171 | 176.3 | 0 | 114.3 | D207 F210 W211 I216 Q217 | D207-K213 WeakPolarHBondContact OD1-CD 3.03Å; D207-K213 IonicContact OD1-NZ 2.7Å; D207-K213 PolarHBondContact OD1-NZ 2.83Å; F210-K213 HydrophobicContact CB-CB 4.27Å; F210-K213 HydrophobicContact CD1-CB 3.85Å; F210-K213 HydrophobicContact CD1-CD 3.88Å; F210-K213 HydrophobicContact CD1-CG 3.96Å; F210-K213 HydrophobicContact CD2-CB 3.93Å; F210-K213 HydrophobicContact CE1-CB 4.24Å; F210-K213 HydrophobicContact CE1-CD 4.42Å; F210-K213 HydrophobicContact CE1-CG 4.16Å; F210-K213 HydrophobicContact CE2-CB 4.25Å; F210-K213 HydrophobicContact CG-CB 3.74Å; F210-K213 HydrophobicContact CG-CD 4.41Å; F210-K213 HydrophobicContact CG-CG 4.36Å; F210-K213 HydrophobicContact CZ-CB 4.44Å; F210-K213 WeakPolarHBondContact O-CB 3.44Å; F210-K213 PolarHBondContact O-N 3.39Å; W211-K213 VanDerWaalsContact C-N 3.35Å; K213-I216 VanDerWaalsContact O-CG1 3.24Å; K213-I216 WeakPolarHBondContact O-CG1 3.49Å; K213-I216 PolarHBondContact O-N 3.36Å; K213-Q217 PolarHBondContact O-N 2.92Å |
| 214 | Y | 93.7 | Very high | 91.7 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -64.6 | -39.6 | 177.6 | 176 | -98.6 | 0 | 0 | 0 | 112.9 | N212 I216 Q217 | N212-Y214 VanDerWaalsContact C-N 3.3Å; N212-Y214 PolarHBondContact O-N 3.34Å; N212-Y214 VanDerWaalsContact O-N 3.12Å; Y214-I216 PolarHBondContact O-N 3.24Å; Y214-I216 VanDerWaalsContact O-N 3.14Å; Y214-Q217 VanDerWaalsContact O-CB 3.31Å; Y214-Q217 WeakPolarHBondContact O-CB 3.24Å; Y214-Q217 PolarHBondContact O-N 3.18Å; Y214-Q217 VanDerWaalsContact O-N 3.12Å |
| 215 | M | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -65.3 | -19.6 | -178.6 | -51.5 | 175.4 | 62.1 | 0 | 0 | 112.4 | I52 G53 K54 I66 N212 M565 | I52-M215 HydrophobicContact CG2-CE 4.03Å; I52-M215 HydrophobicContact CG2-SD 4.41Å; G53-M215 CarbonylContact C-O 3.5Å; G53-M215 WeakPolarHBondContact CA-O 3.46Å; K54-M215 PolarHBondContact N-O 2.85Å; K54-M215 WeakPolarHBondContact O-CA 3.23Å; K54-M215 WeakPolarHBondContact O-CB 3.47Å; I66-M215 HydrophobicContact CD1-CE 3.59Å; N212-M215 HydrophobicContact CB-SD 4.26Å; N212-M215 WeakPolarHBondContact O-CA 3.29Å; N212-M215 WeakPolarHBondContact O-CB 3.33Å; N212-M215 PolarHBondContact O-N 3.34Å; M215-M565 HydrophobicContact CE-CE 4.27Å; M215-M565 HydrophobicContact CE-CG 4.37Å; M215-M565 WeakPolarHBondContact CG-O 3.31Å; M215-M565 HydrophobicContact SD-CB 4Å; M215-M565 HydrophobicContact SD-CE 3.57Å; M215-M565 VanDerWaalsContact SD-CE 3.57Å; M215-M565 HydrophobicContact SD-CG 3.92Å |
| 216 | I | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -112.9 | 18.7 | 178.1 | 60.3 | 165 | 0 | 0 | 0 | 112.7 | I52 F210 N212 K213 Y214 D218 L219 T220 I231 | I52-I216 VanDerWaalsContact O-CG2 3.27Å; I52-I216 WeakPolarHBondContact O-CG2 3.17Å; F210-I216 HydrophobicContact CE2-CD1 3.91Å; F210-I216 HydrophobicContact CZ-CD1 3.66Å; N212-I216 PolarHBondContact O-N 2.86Å; K213-I216 VanDerWaalsContact O-CG1 3.24Å; K213-I216 WeakPolarHBondContact O-CG1 3.49Å; K213-I216 PolarHBondContact O-N 3.36Å; Y214-I216 PolarHBondContact O-N 3.24Å; Y214-I216 VanDerWaalsContact O-N 3.14Å; I216-D218 VanDerWaalsContact C-N 3.32Å; I216-D218 PolarHBondContact O-N 3.3Å; I216-L219 HydrophobicContact CB-CB 4.42Å; I216-L219 HydrophobicContact CB-CD1 4.25Å; I216-L219 HydrophobicContact CG2-CD1 4.27Å; I216-L219 WeakPolarHBondContact O-CA 3.1Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 PolarHBondContact O-N 3.36Å; I216-T220 HydrophobicContact CD1-CG2 4.23Å; I216-T220 HydrophobicContact CG1-CG2 4.39Å; I216-T220 PolarHBondContact O-N 3.44Å; I216-I231 HydrophobicContact CD1-CB 4.42Å; I216-I231 HydrophobicContact CD1-CG1 4.35Å; I216-I231 HydrophobicContact CD1-CG2 3.6Å |
| 217 | Q | 91.7 | Very high | 90.7 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -52.4 | -47.4 | -172.6 | 180 | 167.4 | -13.2 | 0 | 0 | 112.4 | K213 Y214 L219 T220 E221 | K213-Q217 PolarHBondContact O-N 2.92Å; Y214-Q217 VanDerWaalsContact O-CB 3.31Å; Y214-Q217 WeakPolarHBondContact O-CB 3.24Å; Y214-Q217 PolarHBondContact O-N 3.18Å; Y214-Q217 VanDerWaalsContact O-N 3.12Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.85Å; Q217-T220 PolarHBondContact O-N 2.81Å; Q217-T220 PolarHBondContact O-OG1 3.05Å; Q217-E221 HydrophobicContact CG-CG 4.33Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.24Å; Q217-E221 PolarHBondContact NE2-OE1 2.56Å; Q217-E221 WeakPolarHBondContact O-CG 3.35Å; Q217-E221 PolarHBondContact O-N 3.2Å |
| 218 | D | 88.9 | Confident | 90.4 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -46 | -47.4 | 171.2 | -62.4 | 49.4 | 0 | 0 | 0 | 113.1 | L28 K54 I216 T220 E221 I222 | L28-D218 HydrophobicContact CB-CB 4.17Å; L28-D218 HydrophobicContact CD1-CB 4.03Å; K54-D218 WeakPolarHBondContact CE-OD1 3.14Å; K54-D218 IonicContact NZ-OD1 2.75Å; K54-D218 PolarHBondContact NZ-OD1 2.91Å; K54-D218 IonicContact NZ-OD2 2.79Å; K54-D218 PolarHBondContact NZ-OD2 3.08Å; I216-D218 VanDerWaalsContact C-N 3.32Å; I216-D218 PolarHBondContact O-N 3.3Å; D218-T220 VanDerWaalsContact C-N 3.31Å; D218-T220 PolarHBondContact O-N 2.77Å; D218-E221 PolarHBondContact O-N 2.97Å; D218-E221 VanDerWaalsContact O-N 3.16Å; D218-I222 WeakPolarHBondContact O-CG1 3.27Å; D218-I222 PolarHBondContact O-N 3.29Å; D218-I222 VanDerWaalsContact O-N 3.08Å |
| 219 | L | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -35.4 | -178.2 | -61.1 | -177.6 | 0 | 0 | 0 | 111.5 | L19 L28 I216 Q217 E221 I222 V227 W230 I231 | L19-L219 HydrophobicContact CD1-CD2 3.75Å; L19-L219 HydrophobicContact CD2-CD2 4.2Å; L28-L219 HydrophobicContact CB-CD2 4.06Å; L28-L219 HydrophobicContact CD1-CD2 3.95Å; L28-L219 HydrophobicContact CD1-CG 4.05Å; L28-L219 HydrophobicContact CG-CD2 4.46Å; I216-L219 HydrophobicContact CB-CB 4.42Å; I216-L219 HydrophobicContact CB-CD1 4.25Å; I216-L219 HydrophobicContact CG2-CD1 4.27Å; I216-L219 WeakPolarHBondContact O-CA 3.1Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 PolarHBondContact O-N 3.36Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.85Å; L219-E221 VanDerWaalsContact C-N 3.27Å; L219-E221 PolarHBondContact O-N 3.13Å; L219-I222 HydrophobicContact CD2-CD1 4.16Å; L219-V227 HydrophobicContact CB-CG2 3.92Å; L219-V227 HydrophobicContact CD2-CG2 4.04Å; L219-V227 VanDerWaalsContact O-CG1 3.32Å; L219-V227 WeakPolarHBondContact O-CG1 3.44Å; L219-V227 WeakPolarHBondContact O-CG2 3.25Å; L219-W230 HydrophobicContact CD1-CB 4.27Å; L219-I231 HydrophobicContact CB-CD1 4.19Å; L219-I231 HydrophobicContact CB-CG1 3.86Å; L219-I231 HydrophobicContact CD1-CG1 4.44Å |
| 220 | T | 88.5 | Confident | 89.8 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.1 | -21.1 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 113 | W202 I216 Q217 D218 I231 | W202-T220 HydrophobicContact CE3-CG2 3.97Å; W202-T220 HydrophobicContact CH2-CG2 4.15Å; W202-T220 HydrophobicContact CZ3-CG2 3.63Å; I216-T220 HydrophobicContact CD1-CG2 4.23Å; I216-T220 HydrophobicContact CG1-CG2 4.39Å; I216-T220 PolarHBondContact O-N 3.44Å; Q217-T220 PolarHBondContact O-N 2.81Å; Q217-T220 PolarHBondContact O-OG1 3.05Å; D218-T220 VanDerWaalsContact C-N 3.31Å; D218-T220 PolarHBondContact O-N 2.77Å; T220-I231 HydrophobicContact CG2-CD1 4.09Å |
| 221 | E | 88.7 | Confident | 89.7 | Confident | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -94.2 | -20.5 | -177.2 | -70.6 | 173.7 | 172.6 | 0 | 0 | 113.9 | Q217 D218 L219 G223 | Q217-E221 HydrophobicContact CG-CG 4.33Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.24Å; Q217-E221 PolarHBondContact NE2-OE1 2.56Å; Q217-E221 WeakPolarHBondContact O-CG 3.35Å; Q217-E221 PolarHBondContact O-N 3.2Å; D218-E221 PolarHBondContact O-N 2.97Å; D218-E221 VanDerWaalsContact O-N 3.16Å; L219-E221 VanDerWaalsContact C-N 3.27Å; L219-E221 PolarHBondContact O-N 3.13Å; E221-G223 PolarHBondContact O-N 3.17Å; E221-G223 VanDerWaalsContact O-N 3.1Å |
| 222 | I | 85.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 45 Ų | 45 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -57.3 | -24.5 | 177.7 | -78.7 | 166.1 | 0 | 0 | 0 | 113.7 | L30 D218 L219 T224 V227 | L30-I222 HydrophobicContact CD1-CG2 4.18Å; D218-I222 WeakPolarHBondContact O-CG1 3.27Å; D218-I222 PolarHBondContact O-N 3.29Å; D218-I222 VanDerWaalsContact O-N 3.08Å; L219-I222 HydrophobicContact CD2-CD1 4.16Å; I222-T224 HydrophobicContact CG2-CG2 4.19Å; I222-T224 WeakPolarHBondContact CG2-OG1 3.34Å; I222-T224 PolarHBondContact O-N 3.17Å; I222-V227 HydrophobicContact CB-CG2 4.33Å; I222-V227 HydrophobicContact CD1-CG2 4.29Å; I222-V227 HydrophobicContact CG2-CB 4.37Å; I222-V227 HydrophobicContact CG2-CG2 4.35Å |
| 223 | G | 77.3 | Confident | 89.7 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 71% | 0.711 | 25% | 0.25 | S | C | * | . | trans | 71.5 | -16.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | E221 | E221-G223 PolarHBondContact O-N 3.17Å; E221-G223 VanDerWaalsContact O-N 3.1Å | ||
| 224 | T | 83.4 | Confident | 89.7 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | trans | -79.6 | 142.6 | 179.8 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | L30 I222 D226 V227 | L30-T224 WeakPolarHBondContact CD1-OG1 3.23Å; I222-T224 HydrophobicContact CG2-CG2 4.19Å; I222-T224 WeakPolarHBondContact CG2-OG1 3.34Å; I222-T224 PolarHBondContact O-N 3.17Å; T224-D226 VanDerWaalsContact C-N 3.29Å; T224-D226 PolarHBondContact O-N 3.31Å; T224-V227 WeakPolarHBondContact O-CB 3.38Å; T224-V227 VanDerWaalsContact O-CG1 3.23Å; T224-V227 WeakPolarHBondContact O-CG1 3.48Å; T224-V227 PolarHBondContact O-N 3.42Å; T224-V227 VanDerWaalsContact O-N 3.11Å | ||
| 225 | P | 84.3 | Confident | 89.9 | Confident | 98 Ų | 98 | 38 Ų | 38 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -64.8 | -23.7 | -175.5 | 26.1 | -35.4 | 0 | 0 | 0 | 115 | V227 N228 | P225-V227 PolarHBondContact O-N 3.48Å; P225-N228 VanDerWaalsContact O-CB 3.25Å; P225-N228 WeakPolarHBondContact O-CB 3.3Å; P225-N228 PolarHBondContact O-N 2.87Å; P225-N228 PolarHBondContact O-ND2 2.83Å |
| 226 | D | 84.8 | Confident | 90 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -67.9 | -18 | 175.9 | -76.1 | -71.8 | 0 | 0 | 0 | 113.8 | R17 L30 T224 N228 F229 | R17-D226 IonicContact CZ-OD1 3.35Å; R17-D226 IonicContact NE-OD1 2.67Å; R17-D226 PolarHBondContact NE-OD1 2.84Å; R17-D226 IonicContact NH2-OD1 2.96Å; R17-D226 PolarHBondContact NH2-OD1 2.92Å; L30-D226 HydrophobicContact CD1-CB 4.17Å; T224-D226 VanDerWaalsContact C-N 3.29Å; T224-D226 PolarHBondContact O-N 3.31Å; D226-N228 PolarHBondContact O-N 3.46Å; D226-F229 PolarHBondContact O-N 2.87Å |
| 227 | V | 88.6 | Confident | 90.1 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -67.6 | -24.2 | 176.8 | 88.1 | 0 | 0 | 0 | 0 | 112.4 | L30 L219 I222 T224 P225 F229 W230 I231 | L30-V227 HydrophobicContact CD1-CB 3.76Å; L30-V227 HydrophobicContact CD1-CG2 4.02Å; L219-V227 HydrophobicContact CB-CG2 3.92Å; L219-V227 HydrophobicContact CD2-CG2 4.04Å; L219-V227 VanDerWaalsContact O-CG1 3.32Å; L219-V227 WeakPolarHBondContact O-CG1 3.44Å; L219-V227 WeakPolarHBondContact O-CG2 3.25Å; I222-V227 HydrophobicContact CB-CG2 4.33Å; I222-V227 HydrophobicContact CD1-CG2 4.29Å; I222-V227 HydrophobicContact CG2-CB 4.37Å; I222-V227 HydrophobicContact CG2-CG2 4.35Å; T224-V227 WeakPolarHBondContact O-CB 3.38Å; T224-V227 VanDerWaalsContact O-CG1 3.23Å; T224-V227 WeakPolarHBondContact O-CG1 3.48Å; T224-V227 PolarHBondContact O-N 3.42Å; T224-V227 VanDerWaalsContact O-N 3.11Å; P225-V227 PolarHBondContact O-N 3.48Å; V227-F229 PolarHBondContact O-N 3.2Å; V227-W230 PolarHBondContact O-N 3.01Å; V227-I231 HydrophobicContact CG1-CD1 3.92Å; V227-I231 HydrophobicContact CG2-CD1 4.46Å; V227-I231 PolarHBondContact O-N 3.11Å |
| 228 | N | 90.3 | Very high | 90.4 | Very high | 51 Ų | 51 | 35 Ų | 35 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -56.4 | -26.3 | 179 | -64 | -27.2 | 0 | 0 | 0 | 113.2 | P200 W202 P225 D226 | P200-N228 HydrophobicContact CB-CB 3.98Å; P200-N228 WeakPolarHBondContact CG-OD1 3.47Å; W202-N228 PolarHBondContact NE1-OD1 3.04Å; P225-N228 VanDerWaalsContact O-CB 3.25Å; P225-N228 WeakPolarHBondContact O-CB 3.3Å; P225-N228 PolarHBondContact O-N 2.87Å; P225-N228 PolarHBondContact O-ND2 2.83Å; D226-N228 PolarHBondContact O-N 3.46Å |
| 229 | F | 89.2 | Confident | 90.8 | Very high | 79 Ų | 79 | 33.3 Ų | 33.3 | 35% | 0.346 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -73 | -27.8 | 177.8 | -177.8 | -97.3 | 0 | 0 | 0 | 113.4 | M1 Q14 D226 V227 | M1-F229 HydrophobicContact CE-CE1 4.39Å; Q14-F229 HydrophobicContact CB-CE1 4.08Å; Q14-F229 HydrophobicContact CB-CZ 4.39Å; Q14-F229 HydrophobicContact CG-CE1 4.2Å; Q14-F229 HydrophobicContact CG-CZ 3.98Å; D226-F229 PolarHBondContact O-N 2.87Å; V227-F229 PolarHBondContact O-N 3.2Å |
| 230 | W | 91.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -15.6 | -174.7 | -61.3 | 96.9 | 0 | 0 | 0 | 113.2 | M1 L12 R17 L19 L30 V51 L219 V227 I232 | M1-W230 HydrophobicContact CE-CE3 4.22Å; M1-W230 HydrophobicContact CE-CZ3 4.1Å; M1-W230 HydrophobicContact CG-CZ3 4.18Å; M1-W230 HydrophobicContact SD-CE3 4.11Å; M1-W230 HydrophobicContact SD-CZ3 3.57Å; M1-W230 VanDerWaalsContact SD-CZ3 3.57Å; L12-W230 HydrophobicContact CB-CH2 3.88Å; L12-W230 HydrophobicContact CB-CZ3 3.65Å; L12-W230 HydrophobicContact CD2-CZ3 4.31Å; L12-W230 VanDerWaalsContact O-CH2 3.26Å; L12-W230 WeakPolarHBondContact O-CH2 3.44Å; R17-W230 HydrophobicContact CB-CZ2 4.12Å; L19-W230 HydrophobicContact CB-CD2 3.81Å; L19-W230 HydrophobicContact CB-CE3 3.94Å; L19-W230 HydrophobicContact CB-CG 4.44Å; L19-W230 HydrophobicContact CB-CH2 4Å; L19-W230 HydrophobicContact CB-CZ2 3.85Å; L19-W230 HydrophobicContact CB-CZ3 4.03Å; L19-W230 HydrophobicContact CD2-CB 4.31Å; L19-W230 HydrophobicContact CD2-CD2 3.97Å; L19-W230 HydrophobicContact CD2-CE3 3.85Å; L19-W230 HydrophobicContact CD2-CG 4.18Å; L19-W230 HydrophobicContact CG-CD2 4.46Å; L30-W230 VanDerWaalsContact CD2-CD1 3.49Å; L30-W230 HydrophobicContact CD2-CG 4.43Å; V51-W230 HydrophobicContact CG2-CE3 4.29Å; L219-W230 HydrophobicContact CD1-CB 4.27Å; V227-W230 PolarHBondContact O-N 3.01Å; W230-I232 PolarHBondContact O-N 3.15Å |
| 231 | I | 94 | Very high | 91.6 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | trans | -86.8 | 110.6 | -179.9 | -65 | 166.6 | 0 | 0 | 0 | 109.7 | W202 F210 I216 L219 T220 V227 | W202-I231 HydrophobicContact CB-CB 4.38Å; W202-I231 HydrophobicContact CB-CG2 3.39Å; W202-I231 HydrophobicContact CD2-CD1 3.81Å; W202-I231 HydrophobicContact CD2-CG2 3.96Å; W202-I231 VanDerWaalsContact CE2-CD1 3.43Å; W202-I231 HydrophobicContact CE3-CD1 4.37Å; W202-I231 HydrophobicContact CG-CB 4.04Å; W202-I231 HydrophobicContact CG-CD1 4.18Å; W202-I231 HydrophobicContact CG-CG2 3.43Å; W202-I231 VanDerWaalsContact CG-CG2 3.43Å; W202-I231 HydrophobicContact CH2-CD1 4.28Å; W202-I231 HydrophobicContact CZ2-CD1 3.7Å; F210-I231 HydrophobicContact CZ-CG2 4.06Å; I216-I231 HydrophobicContact CD1-CB 4.42Å; I216-I231 HydrophobicContact CD1-CG1 4.35Å; I216-I231 HydrophobicContact CD1-CG2 3.6Å; L219-I231 HydrophobicContact CB-CD1 4.19Å; L219-I231 HydrophobicContact CB-CG1 3.86Å; L219-I231 HydrophobicContact CD1-CG1 4.44Å; T220-I231 HydrophobicContact CG2-CD1 4.09Å; V227-I231 HydrophobicContact CG1-CD1 3.92Å; V227-I231 HydrophobicContact CG2-CD1 4.46Å; V227-I231 PolarHBondContact O-N 3.11Å | ||
| 232 | I | 94.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | trans | -107.2 | 110.8 | 175.3 | -58.5 | 176.1 | 0 | 0 | 0 | 108.7 | I68 Y178 L180 N212 W230 M234 | I68-I232 HydrophobicContact CD1-CD1 4.27Å; Y178-I232 HydrophobicContact CD2-CG2 3.38Å; Y178-I232 HydrophobicContact CE2-CD1 4.47Å; Y178-I232 HydrophobicContact CE2-CG2 4.07Å; Y178-I232 HydrophobicContact CG-CG2 3.71Å; L180-I232 HydrophobicContact CD2-CD1 4.28Å; L180-I232 HydrophobicContact CD2-CG1 4.1Å; L180-I232 HydrophobicContact CD2-CG2 4.43Å; N212-I232 PolarHBondContact ND2-O 2.83Å; N212-I232 PolarHBondContact OD1-O 3.08Å; W230-I232 PolarHBondContact O-N 3.15Å; I232-M234 HydrophobicContact CG2-CG 4.21Å; I232-M234 PolarHBondContact O-N 3.19Å | ||
| 233 | P | 95.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | trans | -67.8 | 122.3 | 170.1 | -20.9 | 34.3 | 0 | 0 | 0 | 111.6 | Y178 L201 W202 V205 F210 | Y178-P233 WeakPolarHBondContact CB-O 3.28Å; L201-P233 HydrophobicContact CD2-CG 4.42Å; W202-P233 HydrophobicContact CB-CG 3.75Å; V205-P233 HydrophobicContact CG1-CB 3.92Å; V205-P233 HydrophobicContact CG1-CG 3.97Å; F210-P233 HydrophobicContact CD2-CB 4.24Å; F210-P233 HydrophobicContact CE2-CB 4.04Å; F210-P233 HydrophobicContact CE2-CG 4.46Å; F210-P233 HydrophobicContact CZ-CB 4.34Å; F210-P233 HydrophobicContact CZ-CG 4.32Å | ||
| 234 | M | 95.8 | Very high | 93 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.8 | 178.6 | -53.1 | -175.8 | 76.7 | 0 | 0 | 111 | I52 V86 F176 Y177 Y178 W211 N212 I232 | I52-M234 HydrophobicContact CB-SD 4.33Å; I52-M234 HydrophobicContact CD1-CE 4.36Å; I52-M234 HydrophobicContact CD1-SD 4.42Å; I52-M234 HydrophobicContact CG1-CE 4.49Å; I52-M234 HydrophobicContact CG1-SD 4.03Å; I52-M234 HydrophobicContact CG2-SD 3.92Å; V86-M234 HydrophobicContact CB-CE 4.45Å; V86-M234 HydrophobicContact CG2-CE 3.44Å; V86-M234 VanDerWaalsContact CG2-CE 3.44Å; F176-M234 HydrophobicContact CB-CE 4.08Å; Y177-M234 WeakPolarHBondContact O-CA 3.41Å; Y178-M234 HydrophobicContact CD1-CE 4.35Å; W211-M234 VanDerWaalsContact CB-O 3.29Å; W211-M234 WeakPolarHBondContact CB-O 3.38Å; W211-M234 PolarHBondContact N-O 3.11Å; N212-M234 HydrophobicContact CB-SD 4.49Å; N212-M234 WeakPolarHBondContact OD1-CB 3.23Å; N212-M234 PolarHBondContact OD1-N 3.35Å; I232-M234 HydrophobicContact CG2-CG 4.21Å; I232-M234 PolarHBondContact O-N 3.19Å |
| 235 | I | 97.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 146.7 | 164.9 | 62.5 | 166.1 | 0 | 0 | 0 | 110 | F176 Y177 L184 T185 F209 V239 I281 R283 | F176-I235 WeakPolarHBondContact CA-O 3.25Å; Y177-I235 PolarHBondContact N-O 2.82Å; Y177-I235 VanDerWaalsContact N-O 3.08Å; Y177-I235 PolarHBondContact O-N 2.78Å; L184-I235 HydrophobicContact CB-CD1 4.14Å; L184-I235 HydrophobicContact CB-CG1 4.32Å; L184-I235 HydrophobicContact CB-CG2 4.18Å; T185-I235 HydrophobicContact CG2-CG2 3.84Å; F209-I235 HydrophobicContact CB-CG2 4.28Å; I235-V239 HydrophobicContact CD1-CG2 4.1Å; I235-I281 HydrophobicContact CD1-CG2 4.22Å; I235-R283 HydrophobicContact CD1-CG 4.17Å; I235-R283 HydrophobicContact CG2-CG 4.31Å |
| 236 | Q | 96.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136 | 155.9 | -172.2 | 176.4 | 98.5 | 0 | 0 | 108.8 | S175 F176 W211 R284 Q515 | S175-Q236 CarbonylContact O-C 3.57Å; S175-Q236 WeakPolarHBondContact O-CA 3.46Å; F176-Q236 HydrophobicContact CD1-CB 4.03Å; F176-Q236 HydrophobicContact CD1-CG 4.29Å; F176-Q236 HydrophobicContact CE1-CB 3.82Å; F176-Q236 HydrophobicContact CE1-CG 3.98Å; F176-Q236 VanDerWaalsContact CE1-NE2 3.33Å; F176-Q236 HydrophobicContact CZ-CG 4.36Å; W211-Q236 HydrophobicContact CB-CB 4.5Å; W211-Q236 HydrophobicContact CD2-CB 3.56Å; W211-Q236 HydrophobicContact CE3-CB 3.49Å; W211-Q236 VanDerWaalsContact CE3-CB 3.49Å; W211-Q236 HydrophobicContact CG-CB 4.02Å; W211-Q236 HydrophobicContact CH2-CB 4.34Å; W211-Q236 VanDerWaalsContact CH2-OE1 3.29Å; W211-Q236 HydrophobicContact CZ2-CB 4.45Å; W211-Q236 HydrophobicContact CZ3-CB 3.89Å; Q236-R284 WeakPolarHBondContact O-CB 3.48Å; Q236-R284 PolarHBondContact O-N 2.9Å; Q236-R284 VanDerWaalsContact OE1-CD 3.25Å; Q236-Q515 HydrophobicContact CG-CG 4.44Å |
| 237 | G | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | -121.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S175 S282 Q515 | S175-G237 PolarHBondContact O-N 3.01Å; G237-S282 CarbonylContact C-O 3.51Å; G237-S282 VanDerWaalsContact CA-O 3.27Å; G237-S282 WeakPolarHBondContact CA-O 3.48Å; G237-Q515 PolarHBondContact O-NE2 3.12Å |
| 238 | F | 96.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.2 | -176.2 | 176.9 | -103.1 | 0 | 0 | 0 | 110.8 | Q240 L280 I281 S282 N507 N508 S511 I512 | F238-Q240 HydrophobicContact CE1-CB 3.7Å; F238-Q240 HydrophobicContact CE2-CB 4.27Å; F238-Q240 HydrophobicContact CZ-CB 3.41Å; F238-Q240 VanDerWaalsContact CZ-CB 3.41Å; F238-Q240 HydrophobicContact CZ-CG 4.46Å; F238-L280 HydrophobicContact CE1-CB 4.46Å; F238-L280 HydrophobicContact CE1-CD2 4.29Å; F238-L280 HydrophobicContact CE1-CG 4.38Å; F238-I281 CarbonylContact O-C 3.53Å; F238-I281 WeakPolarHBondContact O-CA 3.16Å; F238-S282 PolarHBondContact N-O 3.01Å; F238-S282 PolarHBondContact O-N 2.8Å; F238-N507 HydrophobicContact CE2-CB 3.8Å; F238-N507 HydrophobicContact CZ-CB 3.59Å; F238-N508 HydrophobicContact CD1-CB 3.59Å; F238-N508 HydrophobicContact CE1-CB 3.68Å; F238-N508 HydrophobicContact CG-CB 4.21Å; F238-N508 HydrophobicContact CZ-CB 4.35Å; F238-S511 VanDerWaalsContact CD2-OG 3.31Å; F238-S511 WeakPolarHBondContact CD2-OG 3.15Å; F238-I512 HydrophobicContact CB-CD1 4.34Å |
| 239 | V | 98 | Very high | 91.8 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 132.9 | 162.5 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | V74 V83 Y177 I235 I241 L280 I281 | V74-V239 HydrophobicContact CG1-CB 4.36Å; V74-V239 HydrophobicContact CG1-CG1 4.17Å; V74-V239 WeakPolarHBondContact CG1-O 3.21Å; V83-V239 HydrophobicContact CG1-CB 4.34Å; V83-V239 HydrophobicContact CG1-CG1 4.11Å; V83-V239 HydrophobicContact CG1-CG2 4.37Å; Y177-V239 HydrophobicContact CD1-CB 3.69Å; Y177-V239 HydrophobicContact CD1-CG2 3.78Å; Y177-V239 HydrophobicContact CD2-CG2 4.45Å; Y177-V239 HydrophobicContact CE1-CB 3.73Å; Y177-V239 HydrophobicContact CE1-CG2 4.23Å; Y177-V239 WeakPolarHBondContact CE1-O 3.4Å; Y177-V239 HydrophobicContact CG-CB 4.28Å; Y177-V239 HydrophobicContact CG-CG2 3.87Å; Y177-V239 PolarHBondContact OH-N 2.97Å; Y177-V239 PolarHBondContact OH-O 2.9Å; I235-V239 HydrophobicContact CD1-CG2 4.1Å; V239-I241 HydrophobicContact CG1-CD1 4.34Å; V239-I241 HydrophobicContact CG1-CG1 4.05Å; V239-L280 WeakPolarHBondContact CA-O 3.38Å; V239-I281 HydrophobicContact CG1-CG1 4.13Å; V239-I281 HydrophobicContact CG2-CG1 4.36Å; V239-I281 HydrophobicContact CG2-CG2 4.33Å |
| 240 | Q | 97.4 | Very high | 90.4 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.1 | 162.2 | -176.6 | 173.8 | -9.2 | 0 | 0 | 107.9 | F238 E242 A279 L280 M504 N507 | F238-Q240 HydrophobicContact CE1-CB 3.7Å; F238-Q240 HydrophobicContact CE2-CB 4.27Å; F238-Q240 HydrophobicContact CZ-CB 3.41Å; F238-Q240 VanDerWaalsContact CZ-CB 3.41Å; F238-Q240 HydrophobicContact CZ-CG 4.46Å; Q240-E242 HydrophobicContact CG-CG 4.27Å; Q240-E242 PolarHBondContact NE2-OE1 3.36Å; Q240-A279 WeakPolarHBondContact O-CA 3.49Å; Q240-L280 PolarHBondContact N-O 3.34Å; Q240-L280 PolarHBondContact O-N 2.8Å; Q240-M504 HydrophobicContact CB-CE 4.39Å; Q240-M504 HydrophobicContact CG-CE 4.29Å; Q240-M504 HydrophobicContact CG-CG 4.3Å; Q240-M504 WeakPolarHBondContact O-CE 3.5Å; Q240-N507 PolarHBondContact OE1-ND2 2.9Å |
| 241 | I | 97.4 | Very high | 88.3 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.4 | -178.5 | -54.9 | 171 | 0 | 0 | 0 | 106.2 | L77 V83 V239 L277 V278 A279 | L77-I241 HydrophobicContact CD2-CD1 3.76Å; L77-I241 HydrophobicContact CD2-CG1 4.21Å; L77-I241 HydrophobicContact CG-CD1 3.92Å; V83-I241 HydrophobicContact CB-CD1 4.31Å; V83-I241 HydrophobicContact CG2-CD1 4.17Å; V239-I241 HydrophobicContact CG1-CD1 4.34Å; V239-I241 HydrophobicContact CG1-CG1 4.05Å; I241-L277 HydrophobicContact CG2-CD1 3.86Å; I241-L277 HydrophobicContact CG2-CD2 4.04Å; I241-L277 HydrophobicContact CG2-CG 3.93Å; I241-V278 WeakPolarHBondContact CA-O 3.42Å; I241-A279 HydrophobicContact CB-CB 4.47Å; I241-A279 HydrophobicContact CG1-CB 3.91Å; I241-A279 HydrophobicContact CG2-CB 4.39Å |
| 242 | E | 96.1 | Very high | 86.2 | Confident | 67 Ų | 67 | 37.1 Ų | 37.1 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.5 | 179.9 | -62.5 | -66.2 | 163.2 | 0 | 0 | 109.2 | Q240 V278 I500 M504 | Q240-E242 HydrophobicContact CG-CG 4.27Å; Q240-E242 PolarHBondContact NE2-OE1 3.36Å; E242-V278 HydrophobicContact CB-CG1 4.03Å; E242-V278 PolarHBondContact N-O 2.93Å; E242-V278 PolarHBondContact O-N 2.94Å; E242-I500 HydrophobicContact CB-CG2 4.13Å; E242-I500 HydrophobicContact CG-CG2 3.88Å; E242-M504 HydrophobicContact CB-CE 4.24Å; E242-M504 HydrophobicContact CB-SD 3.99Å; E242-M504 HydrophobicContact CG-CE 3.9Å; E242-M504 HydrophobicContact CG-CG 3.92Å; E242-M504 HydrophobicContact CG-SD 3.64Å |
| 243 | E | 93.8 | Very high | 84.1 | Confident | 105 Ų | 105 | 40.8 Ų | 40.8 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.4 | 170.1 | -158.7 | -165.6 | 166.7 | 0 | 0 | 109.4 | R275 | E243-R275 IonicContact OE1-CZ 3.3Å; E243-R275 IonicContact OE1-NE 2.73Å; E243-R275 PolarHBondContact OE1-NE 3.25Å; E243-R275 IonicContact OE1-NH2 2.78Å; E243-R275 PolarHBondContact OE1-NH2 3.07Å; E243-R275 IonicContact OE2-CZ 3.44Å; E243-R275 IonicContact OE2-NE 3.48Å; E243-R275 IonicContact OE2-NH2 3.32Å; E243-R275 PolarHBondContact OE2-NH2 3.1Å |
| 244 | L | 91.9 | Very high | 82 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.5 | -174.4 | -66.7 | -176.2 | 0 | 0 | 0 | 111.1 | R275 F276 V278 C497 I500 | L244-R275 CarbonylContact O-C 3.42Å; L244-R275 VanDerWaalsContact O-CA 3.28Å; L244-R275 WeakPolarHBondContact O-CA 3.47Å; L244-F276 HydrophobicContact CB-CD1 4Å; L244-F276 HydrophobicContact CB-CD2 4.38Å; L244-F276 HydrophobicContact CB-CE1 3.61Å; L244-F276 HydrophobicContact CB-CE2 4.04Å; L244-F276 HydrophobicContact CB-CG 4.38Å; L244-F276 HydrophobicContact CB-CZ 3.64Å; L244-F276 HydrophobicContact CD1-CE1 4.28Å; L244-F276 HydrophobicContact CD1-CE2 3.67Å; L244-F276 HydrophobicContact CD1-CZ 3.46Å; L244-F276 VanDerWaalsContact CD1-CZ 3.46Å; L244-F276 HydrophobicContact CG-CE2 4.33Å; L244-F276 HydrophobicContact CG-CZ 4.16Å; L244-F276 PolarHBondContact N-O 3Å; L244-F276 PolarHBondContact O-N 3.09Å; L244-V278 HydrophobicContact CD1-CB 4.5Å; L244-V278 HydrophobicContact CD1-CG1 3.6Å; L244-V278 HydrophobicContact CG-CG1 3.88Å; L244-C497 HydrophobicContact CD1-CB 4.25Å; L244-I500 HydrophobicContact CD2-CB 3.82Å; L244-I500 HydrophobicContact CD2-CD1 3.47Å; L244-I500 VanDerWaalsContact CD2-CD1 3.47Å; L244-I500 HydrophobicContact CD2-CG1 4.24Å; L244-I500 HydrophobicContact CD2-CG2 3.78Å |
| 245 | V | 88.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | N247 H273 R275 C497 | V245-N247 PolarHBondContact O-N 3.49Å; V245-N247 VanDerWaalsContact O-N 3.12Å; V245-H273 HydrophobicContact CG1-CB 3.56Å; V245-R275 HydrophobicContact CG2-CG 4.24Å; V245-C497 PolarHBondContact O-SG 3.49Å |
| 246 | V | 85.8 | Confident | 77.2 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | trans | -78.6 | 98.5 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | Y248 P274 F276 V486 P494 | V246-Y248 HydrophobicContact CG1-CD2 4.02Å; V246-Y248 HydrophobicContact CG1-CE2 3.45Å; V246-Y248 VanDerWaalsContact CG1-CE2 3.45Å; V246-P274 HydrophobicContact CB-CG 4.15Å; V246-P274 PolarHBondContact N-O 3.46Å; V246-F276 HydrophobicContact CG2-CD1 3.92Å; V246-F276 HydrophobicContact CG2-CE1 3.66Å; V246-V486 HydrophobicContact CG2-CG1 3.75Å; V246-P494 HydrophobicContact CG1-CG 3.91Å | ||
| 247 | N | 83.5 | Confident | 74.6 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | trans | -124.7 | 127.1 | 172.9 | -169.2 | -9.2 | 0 | 0 | 0 | 110.9 | V245 T249 H273 P494 | V245-N247 PolarHBondContact O-N 3.49Å; V245-N247 VanDerWaalsContact O-N 3.12Å; N247-T249 PolarHBondContact ND2-OG1 3.19Å; N247-T249 WeakPolarHBondContact OD1-CB 3.24Å; N247-T249 PolarHBondContact OD1-N 3.22Å; N247-T249 PolarHBondContact OD1-OG1 3.41Å; N247-H273 VanDerWaalsContact CG-NE2 3.26Å; N247-H273 PolarHBondContact ND2-NE2 3.16Å; N247-H273 PolarHBondContact OD1-CD2 3.46Å; N247-H273 PolarHBondContact OD1-NE2 3.29Å; N247-P494 WeakPolarHBondContact O-CB 3.49Å | ||
| 248 | Y | 78.1 | Confident | 72.3 | Confident | 82 Ų | 82 | 69 Ų | 69 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -106.1 | -11.1 | 177.1 | -70.6 | -78.8 | 0 | 0 | 0 | 113.8 | V246 M487 P488 Q491 P492 P494 | V246-Y248 HydrophobicContact CG1-CD2 4.02Å; V246-Y248 HydrophobicContact CG1-CE2 3.45Å; V246-Y248 VanDerWaalsContact CG1-CE2 3.45Å; Y248-M487 WeakPolarHBondContact OH-CG 3.48Å; Y248-P488 HydrophobicContact CE2-CG 4.33Å; Y248-Q491 HydrophobicContact CE1-CB 3.94Å; Y248-Q491 VanDerWaalsContact CE2-OE1 3.29Å; Y248-Q491 VanDerWaalsContact CZ-OE1 3.3Å; Y248-P492 VanDerWaalsContact CE1-O 3.26Å; Y248-P492 WeakPolarHBondContact CE1-O 3.31Å; Y248-P492 PolarHBondContact OH-O 3.15Å; Y248-P494 HydrophobicContact CD1-CG 4.16Å; Y248-P494 HydrophobicContact CD2-CG 4.41Å; Y248-P494 HydrophobicContact CE1-CB 4.47Å; Y248-P494 HydrophobicContact CE1-CG 3.75Å; Y248-P494 HydrophobicContact CE2-CG 4.02Å; Y248-P494 HydrophobicContact CG-CG 4.49Å |
| 249 | T | 70.6 | Confident | 70.3 | Confident | 113 Ų | 113 | 74.6 Ų | 74.6 | 69% | 0.693 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -77.7 | -24.1 | 179.1 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | N247 S251 | N247-T249 PolarHBondContact ND2-OG1 3.19Å; N247-T249 WeakPolarHBondContact OD1-CB 3.24Å; N247-T249 PolarHBondContact OD1-N 3.22Å; N247-T249 PolarHBondContact OD1-OG1 3.41Å; T249-S251 PolarHBondContact O-N 3.5Å; T249-S251 VanDerWaalsContact O-N 3.1Å |
| 250 | E | 59.2 | Low | 67.9 | Low | 85 Ų | 85 | 83.5 Ų | 83.5 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | trans | -79.2 | 90.9 | 174.4 | -70.5 | -168.9 | 113 | 0 | 0 | 111.4 | K496 | E250-K496 IonicContact OE1-NZ 3.93Å; E250-K496 PolarHBondContact OE1-NZ 3.14Å; E250-K496 WeakPolarHBondContact OE2-CD 3.38Å; E250-K496 VanDerWaalsContact OE2-CE 3.29Å; E250-K496 WeakPolarHBondContact OE2-CE 3.4Å; E250-K496 IonicContact OE2-NZ 3.39Å; E250-K496 PolarHBondContact OE2-NZ 3.02Å | ||
| 251 | S | 47.6 | Very low | 65.3 | Low | 79 Ų | 79 | 88.3 Ų | 88.3 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | trans | -57.3 | 157.9 | 156.9 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | T249 D253 | T249-S251 PolarHBondContact O-N 3.5Å; T249-S251 VanDerWaalsContact O-N 3.1Å; S251-D253 PolarHBondContact O-N 3.31Å | ||
| 252 | S | 48.8 | Very low | 62.8 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -55.9 | 130 | -176.4 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | D254 E255 | S252-D254 PolarHBondContact O-N 3.14Å; S252-E255 PolarHBondContact O-N 2.95Å | ||
| 253 | D | 50.2 | Low | 60.3 | Low | 82 Ų | 82 | 95.4 Ų | 95.4 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -58.8 | -13.4 | -177.3 | -68.7 | -67.5 | 0 | 0 | 0 | 114.2 | S251 E255 K256 K496 | S251-D253 PolarHBondContact O-N 3.31Å; D253-E255 PolarHBondContact O-N 3.19Å; D253-K256 PolarHBondContact O-N 3.31Å; D253-K256 IonicContact OD1-NZ 2.8Å; D253-K256 PolarHBondContact OD1-NZ 2.71Å; D253-K496 IonicContact OD2-NZ 2.77Å; D253-K496 PolarHBondContact OD2-NZ 3.37Å |
| 254 | D | 51.8 | Low | 57.8 | Low | 138 Ų | 138 | 99.8 Ų | 99.8 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -60.7 | -24.7 | 171.5 | -57.2 | -71.5 | 0 | 0 | 0 | 113.8 | S252 K256 | S252-D254 PolarHBondContact O-N 3.14Å; D254-K256 VanDerWaalsContact C-N 3.35Å |
| 255 | E | 47.1 | Very low | 55.3 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 67% | 0.673 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -75.5 | -16.9 | 177 | -81.4 | -79.2 | 105 | 0 | 0 | 113.6 | S252 D253 S257 | S252-E255 PolarHBondContact O-N 2.95Å; D253-E255 PolarHBondContact O-N 3.19Å; E255-S257 PolarHBondContact O-N 3.04Å |
| 256 | K | 46.5 | Very low | 53.1 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 47 | -173.7 | -67.4 | 174.6 | -176.7 | 160 | 0 | 113.4 | D253 D254 | D253-K256 PolarHBondContact O-N 3.31Å; D253-K256 IonicContact OD1-NZ 2.8Å; D253-K256 PolarHBondContact OD1-NZ 2.71Å; D254-K256 VanDerWaalsContact C-N 3.35Å |
| 257 | S | 42.4 | Very low | 50.9 | Low | 82 Ų | 82 | 116.4 Ų | 116.4 | 57% | 0.573 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 8.5 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 115 | E255 | E255-S257 PolarHBondContact O-N 3.04Š|
| 258 | S | 46.4 | Very low | 49.2 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | trans | -113.6 | 108.8 | 172.4 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | E260 | S258-E260 PolarHBondContact O-N 3.39Š| ||
| 259 | P | 54.3 | Low | 47.5 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -96.8 | 72.4 | -174.7 | 37.2 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 260 | E | 47.4 | Very low | 46 | Very low | 189 Ų | 189 | 124.1 Ų | 124.1 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -156.6 | 64 | 175 | -127.2 | 161.1 | -120.7 | 0 | 0 | 114.7 | S258 | S258-E260 PolarHBondContact O-N 3.39Š| ||
| 261 | T | 42.9 | Very low | 45.5 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -146 | 135.2 | 162.7 | -26.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 262 | P | 46.2 | Very low | 46.1 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -62.4 | 150.2 | 171.9 | -21.1 | 33.2 | 0 | 0 | 0 | 111.3 | Q264 | P262-Q264 PolarHBondContact O-N 3.38Å; P262-Q264 VanDerWaalsContact O-N 3.1Å | ||
| 263 | P | 43.4 | Very low | 47.2 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | trans | -64.4 | 113.5 | 170.6 | 27.7 | -32.9 | 0 | 0 | 0 | 109 | E265 | P263-E265 PolarHBondContact O-N 3.05Š| ||
| 264 | Q | 40.7 | Very low | 48.9 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -64.5 | 132.6 | 166.7 | -103.6 | 179 | -35.4 | 0 | 0 | 108.8 | P262 | P262-Q264 PolarHBondContact O-N 3.38Å; P262-Q264 VanDerWaalsContact O-N 3.1Å | ||
| 265 | E | 38.8 | Very low | 50.7 | Low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -64.4 | 143.5 | -179.2 | -63.6 | -178.1 | 133.4 | 0 | 0 | 110.8 | P263 T267 | P263-E265 PolarHBondContact O-N 3.05Å; E265-T267 PolarHBondContact O-N 2.71Å | ||
| 266 | S | 42.5 | Very low | 52.9 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | trans | -65 | 105.8 | -178.5 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | C268 | S266-C268 PolarHBondContact O-N 2.74Å; S266-C268 PolarHBondContact O-SG 2.78Å; S266-C268 VanDerWaalsContact O-SG 3.34Å | ||
| 267 | T | 39.8 | Very low | 55.3 | Low | 130 Ų | 130 | 115.2 Ų | 115.2 | 80% | 0.798 | 65% | 0.651 | S | S | * | * | trans | -58.4 | 122.7 | 169.2 | 34.9 | 0 | 0 | 0 | 0 | 110.3 | E265 V269 | E265-T267 PolarHBondContact O-N 2.71Å; T267-V269 PolarHBondContact O-N 2.93Å | ||
| 268 | C | 48.1 | Very low | 57.9 | Low | 120 Ų | 120 | 111.4 Ų | 111.4 | 81% | 0.811 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -86.2 | 101.6 | -165.5 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | S266 | S266-C268 PolarHBondContact O-N 2.74Å; S266-C268 PolarHBondContact O-SG 2.78Å; S266-C268 VanDerWaalsContact O-SG 3.34Å |
| 269 | V | 42.1 | Very low | 60.3 | Low | 125 Ų | 125 | 106.5 Ų | 106.5 | 76% | 0.758 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -140.4 | 159.1 | 141.4 | -170.1 | 0 | 0 | 0 | 0 | 106.5 | T267 D271 | T267-V269 PolarHBondContact O-N 2.93Å; V269-D271 PolarHBondContact O-N 2.79Å |
| 270 | D | 40.7 | Very low | 62.4 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 76% | 0.759 | 55% | 0.552 | S | S | * | * | trans | -65 | 93.8 | 172 | -65.4 | -70.2 | 0 | 0 | 0 | 111.1 | I272 | D270-I272 HydrophobicContact CB-CD1 4.39Å; D270-I272 HydrophobicContact CB-CG1 4.12Å; D270-I272 PolarHBondContact O-N 3.29Å | ||
| 271 | D | 47.6 | Very low | 64.8 | Low | 123 Ų | 123 | 91.6 Ų | 91.6 | 66% | 0.658 | 51% | 0.509 | S | S | * | . | trans | -71 | 68.2 | 173.7 | -81.5 | -29.1 | 0 | 0 | 0 | 111.3 | V269 H273 | V269-D271 PolarHBondContact O-N 2.79Å; D271-H273 PolarHBondContact O-N 3.2Å; D271-H273 PolarHBondContact O-ND1 2.94Å | ||
| 272 | I | 60.9 | Low | 67.5 | Low | 144 Ų | 144 | 85.4 Ų | 85.4 | 74% | 0.738 | 47% | 0.472 | S | S | * | . | trans | -71.9 | 80.2 | 172.3 | -54.3 | 178.1 | 0 | 0 | 0 | 108.3 | D270 | D270-I272 HydrophobicContact CB-CD1 4.39Å; D270-I272 HydrophobicContact CB-CG1 4.12Å; D270-I272 PolarHBondContact O-N 3.29Å | ||
| 273 | H | 72.1 | Confident | 69.9 | Low | 60 Ų | 60 | 80.2 Ų | 80.2 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 121 | 170.7 | -70.6 | 79 | 0 | 0 | 0 | 109.5 | V245 N247 D271 R275 | V245-H273 HydrophobicContact CG1-CB 3.56Å; N247-H273 VanDerWaalsContact CG-NE2 3.26Å; N247-H273 PolarHBondContact ND2-NE2 3.16Å; N247-H273 PolarHBondContact OD1-CD2 3.46Å; N247-H273 PolarHBondContact OD1-NE2 3.29Å; D271-H273 PolarHBondContact O-N 3.2Å; D271-H273 PolarHBondContact O-ND1 2.94Å; H273-R275 WeakPolarHBondContact O-CG 3.12Å; H273-R275 PolarHBondContact O-N 2.91Å |
| 274 | P | 84.3 | Confident | 72.4 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 130 | -168.3 | 20.3 | -27.3 | 0 | 0 | 0 | 111.2 | V246 V486 | V246-P274 HydrophobicContact CB-CG 4.15Å; V246-P274 PolarHBondContact N-O 3.46Å; P274-V486 HydrophobicContact CB-CG1 4.25Å; P274-V486 HydrophobicContact CB-CG2 4.43Å |
| 275 | R | 90.1 | Very high | 75 | Confident | 137 Ų | 137 | 65.5 Ų | 65.5 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 144.4 | -175.2 | -56.7 | 176.3 | 66.6 | 149.7 | -4 | 110.1 | E243 L244 V245 H273 | E243-R275 IonicContact OE1-CZ 3.3Å; E243-R275 IonicContact OE1-NE 2.73Å; E243-R275 PolarHBondContact OE1-NE 3.25Å; E243-R275 IonicContact OE1-NH2 2.78Å; E243-R275 PolarHBondContact OE1-NH2 3.07Å; E243-R275 IonicContact OE2-CZ 3.44Å; E243-R275 IonicContact OE2-NE 3.48Å; E243-R275 IonicContact OE2-NH2 3.32Å; E243-R275 PolarHBondContact OE2-NH2 3.1Å; L244-R275 CarbonylContact O-C 3.42Å; L244-R275 VanDerWaalsContact O-CA 3.28Å; L244-R275 WeakPolarHBondContact O-CA 3.47Å; V245-R275 HydrophobicContact CG2-CG 4.24Å; H273-R275 WeakPolarHBondContact O-CG 3.12Å; H273-R275 PolarHBondContact O-N 2.91Å |
| 276 | F | 93.9 | Very high | 77.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.1 | 172.2 | 70.1 | -84.6 | 0 | 0 | 0 | 111 | L244 V246 V278 I314 H315 V316 M477 L481 V486 L493 | L244-F276 HydrophobicContact CB-CD1 4Å; L244-F276 HydrophobicContact CB-CD2 4.38Å; L244-F276 HydrophobicContact CB-CE1 3.61Å; L244-F276 HydrophobicContact CB-CE2 4.04Å; L244-F276 HydrophobicContact CB-CG 4.38Å; L244-F276 HydrophobicContact CB-CZ 3.64Å; L244-F276 HydrophobicContact CD1-CE1 4.28Å; L244-F276 HydrophobicContact CD1-CE2 3.67Å; L244-F276 HydrophobicContact CD1-CZ 3.46Å; L244-F276 VanDerWaalsContact CD1-CZ 3.46Å; L244-F276 HydrophobicContact CG-CE2 4.33Å; L244-F276 HydrophobicContact CG-CZ 4.16Å; L244-F276 PolarHBondContact N-O 3Å; L244-F276 PolarHBondContact O-N 3.09Å; V246-F276 HydrophobicContact CG2-CD1 3.92Å; V246-F276 HydrophobicContact CG2-CE1 3.66Å; F276-V278 HydrophobicContact CD2-CB 4.46Å; F276-V278 HydrophobicContact CE2-CB 4.25Å; F276-I314 HydrophobicContact CD2-CD1 3.99Å; F276-I314 HydrophobicContact CD2-CG2 4.14Å; F276-I314 HydrophobicContact CE2-CD1 3.87Å; F276-H315 WeakPolarHBondContact CA-O 3.45Å; F276-V316 HydrophobicContact CB-CG2 3.45Å; F276-V316 VanDerWaalsContact CB-CG2 3.45Å; F276-M477 HydrophobicContact CE2-SD 4.38Å; F276-L481 HydrophobicContact CB-CD2 4.25Å; F276-L481 HydrophobicContact CD1-CD2 3.85Å; F276-L481 HydrophobicContact CD2-CD2 3.82Å; F276-L481 HydrophobicContact CE1-CD1 3.95Å; F276-L481 HydrophobicContact CE1-CD2 4.04Å; F276-L481 HydrophobicContact CE2-CD1 4.04Å; F276-L481 HydrophobicContact CE2-CD2 3.99Å; F276-L481 HydrophobicContact CG-CD2 3.73Å; F276-L481 HydrophobicContact CZ-CD1 3.62Å; F276-L481 HydrophobicContact CZ-CD2 4.09Å; F276-V486 HydrophobicContact CD1-CG1 4.08Å; F276-L493 HydrophobicContact CZ-CD1 4.45Å |
| 277 | L | 96.1 | Very high | 80 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 133.9 | 170.6 | 177.5 | 152 | 0 | 0 | 0 | 108.9 | I241 A279 I314 H315 | I241-L277 HydrophobicContact CG2-CD1 3.86Å; I241-L277 HydrophobicContact CG2-CD2 4.04Å; I241-L277 HydrophobicContact CG2-CG 3.93Å; L277-A279 HydrophobicContact CD2-CB 4.36Å; L277-I314 WeakPolarHBondContact O-CA 3.43Å; L277-H315 HydrophobicContact CB-CB 4.25Å; L277-H315 HydrophobicContact CD2-CB 4.22Å; L277-H315 PolarHBondContact N-O 2.97Å; L277-H315 PolarHBondContact O-N 3.08Å |
| 278 | V | 96.8 | Very high | 82.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.6 | 169.6 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | I241 E242 L244 F276 L313 I314 M504 | I241-V278 WeakPolarHBondContact CA-O 3.42Å; E242-V278 HydrophobicContact CB-CG1 4.03Å; E242-V278 PolarHBondContact N-O 2.93Å; E242-V278 PolarHBondContact O-N 2.94Å; L244-V278 HydrophobicContact CD1-CB 4.5Å; L244-V278 HydrophobicContact CD1-CG1 3.6Å; L244-V278 HydrophobicContact CG-CG1 3.88Å; F276-V278 HydrophobicContact CD2-CB 4.46Å; F276-V278 HydrophobicContact CE2-CB 4.25Å; V278-L313 WeakPolarHBondContact CA-O 3.34Å; V278-I314 HydrophobicContact CB-CD1 3.87Å; V278-I314 HydrophobicContact CG2-CD1 3.72Å; V278-M504 HydrophobicContact CG1-CE 4.04Å; V278-M504 HydrophobicContact CG1-SD 3.72Å; V278-M504 HydrophobicContact CG2-CE 4.28Å; V278-M504 HydrophobicContact CG2-SD 4.39Å |
| 279 | A | 98 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L77 Q240 I241 L277 Q312 L313 | L77-A279 HydrophobicContact CD2-CB 3.71Å; Q240-A279 WeakPolarHBondContact O-CA 3.49Å; I241-A279 HydrophobicContact CB-CB 4.47Å; I241-A279 HydrophobicContact CG1-CB 3.91Å; I241-A279 HydrophobicContact CG2-CB 4.39Å; L277-A279 HydrophobicContact CD2-CB 4.36Å; A279-Q312 WeakPolarHBondContact O-CA 3.47Å; A279-L313 HydrophobicContact CB-CB 4.12Å; A279-L313 HydrophobicContact CB-CD1 4.33Å; A279-L313 HydrophobicContact CB-CG 4.48Å; A279-L313 PolarHBondContact N-O 2.9Å; A279-L313 PolarHBondContact O-N 2.88Å |
| 280 | L | 98.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 106.6 | 175 | -176.5 | 59.8 | 0 | 0 | 0 | 108.6 | F238 V239 Q240 T310 M504 W505 N508 | F238-L280 HydrophobicContact CE1-CB 4.46Å; F238-L280 HydrophobicContact CE1-CD2 4.29Å; F238-L280 HydrophobicContact CE1-CG 4.38Å; V239-L280 WeakPolarHBondContact CA-O 3.38Å; Q240-L280 PolarHBondContact N-O 3.34Å; Q240-L280 PolarHBondContact O-N 2.8Å; L280-T310 HydrophobicContact CD1-CG2 3.78Å; L280-M504 HydrophobicContact CB-CE 4.07Å; L280-M504 HydrophobicContact CD2-CB 4.26Å; L280-W505 HydrophobicContact CD1-CD2 4.4Å; L280-W505 HydrophobicContact CD1-CH2 4.05Å; L280-W505 HydrophobicContact CD1-CZ2 3.6Å; L280-W505 HydrophobicContact CD2-CD2 3.73Å; L280-W505 HydrophobicContact CD2-CE3 4.27Å; L280-W505 HydrophobicContact CD2-CG 3.85Å; L280-W505 HydrophobicContact CD2-CZ2 4.43Å; L280-N508 HydrophobicContact CD2-CB 3.78Å; L280-N508 HydrophobicContact CG-CB 4.48Å |
| 281 | I | 98.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126 | -178.7 | -59.1 | 170.6 | 0 | 0 | 0 | 107.8 | L77 L184 I235 F238 V239 R283 T310 E311 L313 | L77-I281 HydrophobicContact CD1-CD1 4.27Å; L184-I281 HydrophobicContact CD2-CD1 4.28Å; I235-I281 HydrophobicContact CD1-CG2 4.22Å; F238-I281 CarbonylContact O-C 3.53Å; F238-I281 WeakPolarHBondContact O-CA 3.16Å; V239-I281 HydrophobicContact CG1-CG1 4.13Å; V239-I281 HydrophobicContact CG2-CG1 4.36Å; V239-I281 HydrophobicContact CG2-CG2 4.33Å; I281-R283 HydrophobicContact CG2-CG 4.13Å; I281-T310 CarbonylContact O-C 3.5Å; I281-T310 WeakPolarHBondContact O-CA 3.48Å; I281-E311 HydrophobicContact CB-CB 4.49Å; I281-E311 PolarHBondContact N-O 3.39Å; I281-E311 PolarHBondContact O-N 3.1Å; I281-L313 HydrophobicContact CD1-CD1 3.95Å |
| 282 | S | 98.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128 | 167 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | G237 F238 E309 T310 R327 N508 | G237-S282 CarbonylContact C-O 3.51Å; G237-S282 VanDerWaalsContact CA-O 3.27Å; G237-S282 WeakPolarHBondContact CA-O 3.48Å; F238-S282 PolarHBondContact N-O 3.01Å; F238-S282 PolarHBondContact O-N 2.8Å; S282-E309 CarbonylContact C-O 3.57Å; S282-E309 WeakPolarHBondContact CA-O 3.42Å; S282-T310 WeakPolarHBondContact OG-CG2 3.41Å; S282-T310 PolarHBondContact OG-OG1 3.48Å; S282-R327 PolarHBondContact OG-NH2 3.23Å; S282-N508 PolarHBondContact OG-ND2 3.12Å; S282-N508 PolarHBondContact OG-OD1 2.87Å; S282-N508 VanDerWaalsContact OG-OD1 3.05Å |
| 283 | R | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.7 | 179.7 | -56.6 | 174.1 | -102.2 | -84 | 1 | 109.3 | L184 T185 N186 F209 I235 I281 V308 E309 E311 | L184-R283 VanDerWaalsContact O-CD 3.23Å; L184-R283 WeakPolarHBondContact O-CD 3.46Å; L184-R283 PolarHBondContact O-NH1 2.99Å; L184-R283 VanDerWaalsContact O-NH1 3.07Å; T185-R283 WeakPolarHBondContact O-CD 3.43Å; T185-R283 PolarHBondContact O-NE 2.68Å; N186-R283 PolarHBondContact O-NH1 3.17Å; F209-R283 HydrophobicContact CB-CB 4.11Å; F209-R283 HydrophobicContact CD1-CB 3.4Å; F209-R283 HydrophobicContact CD2-CB 4.15Å; F209-R283 HydrophobicContact CE1-CB 3.75Å; F209-R283 VanDerWaalsContact CE1-O 3.24Å; F209-R283 WeakPolarHBondContact CE1-O 3.48Å; F209-R283 HydrophobicContact CE2-CB 4.44Å; F209-R283 HydrophobicContact CG-CB 3.61Å; F209-R283 HydrophobicContact CG-CG 4.32Å; F209-R283 HydrophobicContact CZ-CB 4.26Å; I235-R283 HydrophobicContact CD1-CG 4.17Å; I235-R283 HydrophobicContact CG2-CG 4.31Å; I281-R283 HydrophobicContact CG2-CG 4.13Å; R283-V308 CarbonylContact O-C 3.55Å; R283-V308 VanDerWaalsContact O-CA 3.23Å; R283-V308 WeakPolarHBondContact O-CA 3.48Å; R283-V308 WeakPolarHBondContact O-CG1 3.46Å; R283-E309 IonicContact CZ-OE1 2.74Å; R283-E309 PolarHBondContact N-O 2.91Å; R283-E309 IonicContact NE-OE1 3.65Å; R283-E309 PolarHBondContact NE-OE1 2.85Å; R283-E309 IonicContact NH2-OE1 2.76Å; R283-E309 PolarHBondContact NH2-OE1 2.88Å; R283-E309 PolarHBondContact O-N 2.78Å; R283-E311 IonicContact CZ-OE2 3.73Å; R283-E311 VanDerWaalsContact CZ-OE2 3.23Å; R283-E311 IonicContact NH1-OE2 3.12Å; R283-E311 PolarHBondContact NH1-OE2 3.3Å; R283-E311 IonicContact NH2-OE1 2.68Å; R283-E311 IonicContact NH2-OE2 3.19Å; R283-E311 PolarHBondContact NH2-OE2 2.81Å |
| 284 | R | 95.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132 | 173.7 | -172.3 | -169.1 | -172.6 | 179.3 | 11.8 | 109.6 | W211 Q236 G290 N306 V308 Q515 | W211-R284 HydrophobicContact CZ3-CB 4.24Å; W211-R284 HydrophobicContact CZ3-CG 4.08Å; Q236-R284 WeakPolarHBondContact O-CB 3.48Å; Q236-R284 PolarHBondContact O-N 2.9Å; Q236-R284 VanDerWaalsContact OE1-CD 3.25Å; R284-G290 PolarHBondContact NH2-O 3.27Å; R284-N306 PolarHBondContact NE-OD1 3.44Å; R284-N306 PolarHBondContact NH2-OD1 3.32Å; R284-V308 HydrophobicContact CB-CG2 4.19Å; R284-V308 HydrophobicContact CG-CG2 4.14Å; R284-Q515 PolarHBondContact NH1-O 3.08Å; R284-Q515 PolarHBondContact NH2-O 3.33Å; R284-Q515 VanDerWaalsContact NH2-O 3.11Å |
| 285 | S | 95.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | trans | -66.6 | 136.8 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 112 | R208 W211 H287 Y307 | R208-S285 CarbonylContact O-C 3.56Å; R208-S285 WeakPolarHBondContact O-CA 3.47Å; R208-S285 PolarHBondContact O-OG 2.96Å; W211-S285 VanDerWaalsContact CZ3-O 3.31Å; W211-S285 WeakPolarHBondContact CZ3-O 3.37Å; S285-H287 PolarHBondContact O-N 3.5Å; S285-H287 PolarHBondContact OG-N 3.3Å; S285-H287 VanDerWaalsContact OG-N 3.16Å; S285-Y307 PolarHBondContact N-O 3.08Å | ||
| 286 | R | 93.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 10% | 0.102 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -60.2 | -34.4 | 168.5 | 69.5 | -177.9 | -80.5 | 95.3 | 13 | 110.9 | D207 R208 F210 W211 | D207-R286 WeakPolarHBondContact O-CD 3.47Å; R208-R286 WeakPolarHBondContact O-CG 3.42Å; R208-R286 PolarHBondContact O-N 2.98Å; F210-R286 PolarHBondContact O-NH1 3.33Å; W211-R286 HydrophobicContact CE3-CB 4.37Å; W211-R286 PolarHBondContact O-NH1 3.16Å; W211-R286 VanDerWaalsContact O-NH1 3.14Å |
| 287 | H | 93 | Very high | 91.7 | Very high | 52 Ų | 52 | 20.2 Ų | 20.2 | 24% | 0.241 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 129.7 | -173.2 | -60.1 | -50.7 | 0 | 0 | 0 | 111.1 | D207 S285 A289 N303 | D207-H287 IonicContact OD2-CE1 2.86Å; D207-H287 PolarHBondContact OD2-CE1 3.42Å; D207-H287 VanDerWaalsContact OD2-CE1 3.32Å; D207-H287 IonicContact OD2-NE2 2.66Å; D207-H287 PolarHBondContact OD2-NE2 3.25Å; S285-H287 PolarHBondContact O-N 3.5Å; S285-H287 PolarHBondContact OG-N 3.3Å; S285-H287 VanDerWaalsContact OG-N 3.16Å; H287-A289 PolarHBondContact O-N 2.91Å; H287-A289 VanDerWaalsContact O-N 3.11Å; H287-N303 HydrophobicContact CB-CB 3.98Å; H287-N303 VanDerWaalsContact CB-OD1 3.31Å; H287-N303 WeakPolarHBondContact CB-OD1 3.48Å |
| 288 | R | 91.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 18.7 Ų | 18.7 | 22% | 0.223 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 30.3 | -175.5 | -156.3 | 177 | 174.8 | 71.5 | -5.5 | 114.4 | R296 G297 V298 N303 A305 | R288-R296 PolarHBondContact NE-O 3.45Å; R288-R296 PolarHBondContact NH2-O 3.39Å; R288-G297 WeakPolarHBondContact CD-O 3.46Å; R288-G297 PolarHBondContact NE-O 2.88Å; R288-V298 PolarHBondContact NE-O 3.23Å; R288-V298 PolarHBondContact NH2-O 3.03Å; R288-V298 VanDerWaalsContact NH2-O 3.08Å; R288-N303 HydrophobicContact CB-CB 4.14Å; R288-N303 WeakPolarHBondContact CD-O 3.46Å; R288-A305 HydrophobicContact CG-CB 3.96Å; R288-A305 WeakPolarHBondContact O-CA 3.49Å |
| 289 | A | 90.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 8% | 0.084 | C | C | . | . | trans | -60.8 | 141.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W211 H287 Q559 I562 | W211-A289 HydrophobicContact CH2-CB 3.5Å; W211-A289 VanDerWaalsContact CH2-CB 3.5Å; W211-A289 HydrophobicContact CZ2-CB 4.24Å; W211-A289 HydrophobicContact CZ3-CB 4.17Å; H287-A289 PolarHBondContact O-N 2.91Å; H287-A289 VanDerWaalsContact O-N 3.11Å; A289-Q559 PolarHBondContact O-NE2 3.28Å; A289-Q559 VanDerWaalsContact O-NE2 3.08Å; A289-I562 HydrophobicContact CB-CG2 3.82Å | ||
| 290 | G | 87.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | 173.7 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | R284 N306 | R284-G290 PolarHBondContact NH2-O 3.27Å; G290-N306 PolarHBondContact N-OD1 3.11Å; G290-N306 VanDerWaalsContact O-CG 3.27Å; G290-N306 PolarHBondContact O-ND2 2.95Å; G290-N306 PolarHBondContact O-OD1 2.85Å | ||
| 291 | M | 86.3 | Confident | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -75.7 | 150.8 | -178 | -60.3 | -55.1 | -64.4 | 0 | 0 | 112.1 | Y293 K294 R295 Y516 D555 R558 Q559 I562 | M291-Y293 VanDerWaalsContact C-N 3.31Å; M291-Y293 PolarHBondContact O-N 2.83Å; M291-K294 HydrophobicContact CB-CB 4.19Å; M291-K294 HydrophobicContact CB-CG 4.08Å; M291-K294 PolarHBondContact O-N 3.08Å; M291-R295 PolarHBondContact O-N 2.81Å; M291-Y516 WeakPolarHBondContact CE-O 3.36Å; M291-D555 HydrophobicContact CB-CB 3.89Å; M291-D555 HydrophobicContact CE-CB 4.47Å; M291-D555 WeakPolarHBondContact CE-OD1 3.3Å; M291-D555 HydrophobicContact CG-CB 4.06Å; M291-R558 HydrophobicContact CG-CB 4.26Å; M291-R558 HydrophobicContact CG-CG 4.41Å; M291-R558 HydrophobicContact SD-CB 4.25Å; M291-R558 HydrophobicContact SD-CG 3.8Å; M291-Q559 HydrophobicContact CG-CB 4.49Å; M291-I562 HydrophobicContact SD-CD1 4.33Å | ||
| 292 | R | 79.8 | Confident | 90.5 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 11% | 0.106 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -46.4 | -169.2 | -179.8 | 173.9 | -179.8 | -175.5 | 1.7 | 115.9 | R296 D460 Y516 | R292-R296 VanDerWaalsContact O-CZ 3.28Å; R292-R296 PolarHBondContact O-NE 3.5Å; R292-R296 PolarHBondContact O-NH2 2.83Å; R292-D460 IonicContact CZ-OD1 2.73Å; R292-D460 IonicContact NE-OD1 3.15Å; R292-D460 PolarHBondContact NE-OD1 3Å; R292-D460 PolarHBondContact NH2-O 3.12Å; R292-D460 IonicContact NH2-OD1 2.68Å; R292-D460 PolarHBondContact NH2-OD1 3.48Å; R292-D460 IonicContact NH2-OD2 3.2Å; R292-Y516 HydrophobicContact CB-CD1 4.31Å; R292-Y516 HydrophobicContact CB-CE1 3.9Å; R292-Y516 HydrophobicContact CB-CE2 4.13Å; R292-Y516 HydrophobicContact CG-CE1 3.77Å; R292-Y516 PolarHBondContact N-O 3.5Å |
| 293 | Y | 78.4 | Confident | 90.4 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 14% | 0.137 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 7.9 | -178.1 | -60.1 | -75 | 0 | 0 | 0 | 113.5 | M291 Q336 P343 N551 | M291-Y293 VanDerWaalsContact C-N 3.31Å; M291-Y293 PolarHBondContact O-N 2.83Å; Y293-Q336 HydrophobicContact CD1-CB 3.8Å; Y293-Q336 HydrophobicContact CE1-CB 4.24Å; Y293-P343 HydrophobicContact CD1-CG 3.89Å; Y293-P343 HydrophobicContact CE1-CG 3.85Å; Y293-N551 HydrophobicContact CD2-CB 4.2Å; Y293-N551 WeakPolarHBondContact CD2-ND2 3.45Å; Y293-N551 WeakPolarHBondContact CD2-OD1 3.27Å |
| 294 | K | 82 | Confident | 90.3 | Very high | 96 Ų | 96 | 35.5 Ų | 35.5 | 42% | 0.417 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -36.3 | 179.1 | -61.5 | -63.4 | -174.7 | 174.1 | 0 | 113.1 | M291 D555 Q559 | M291-K294 HydrophobicContact CB-CB 4.19Å; M291-K294 HydrophobicContact CB-CG 4.08Å; M291-K294 PolarHBondContact O-N 3.08Å; K294-D555 HydrophobicContact CG-CB 4.41Å; K294-Q559 HydrophobicContact CB-CB 4.34Å; K294-Q559 HydrophobicContact CB-CG 4.15Å; K294-Q559 HydrophobicContact CG-CB 4.35Å |
| 295 | R | 86.5 | Confident | 90.1 | Very high | 67 Ų | 67 | 35.4 Ų | 35.4 | 25% | 0.253 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -130.6 | 120.6 | 175.4 | -57.4 | -68.3 | -168.5 | 178 | 2.6 | 110.8 | M291 A305 D563 | M291-R295 PolarHBondContact O-N 2.81Å; R295-A305 HydrophobicContact CB-CB 4.14Å; R295-D563 IonicContact CZ-OD1 2.74Å; R295-D563 IonicContact CZ-OD2 2.87Å; R295-D563 IonicContact NE-OD1 3.22Å; R295-D563 IonicContact NH2-OD1 2.61Å; R295-D563 PolarHBondContact NH2-OD1 3.33Å; R295-D563 IonicContact NH2-OD2 2.63Å; R295-D563 PolarHBondContact NH2-OD2 3.25Å |
| 296 | R | 90.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 4% | 0.038 | 16% | 0.163 | C | C | . | . | trans | -143.8 | 164.9 | 177 | -71.5 | -169.8 | 174.2 | -91.9 | 10.2 | 110.5 | R288 R292 W334 M459 D460 Y516 | R288-R296 PolarHBondContact NE-O 3.45Å; R288-R296 PolarHBondContact NH2-O 3.39Å; R292-R296 VanDerWaalsContact O-CZ 3.28Å; R292-R296 PolarHBondContact O-NE 3.5Å; R292-R296 PolarHBondContact O-NH2 2.83Å; R296-W334 HydrophobicContact CB-CD2 4.28Å; R296-W334 HydrophobicContact CB-CZ2 4.42Å; R296-W334 WeakPolarHBondContact CB-O 3.41Å; R296-M459 PolarHBondContact NH1-O 3.35Å; R296-D460 IonicContact CZ-OD1 2.78Å; R296-D460 IonicContact NH2-OD1 2.85Å; R296-D460 PolarHBondContact NH2-OD1 2.95Å; R296-D460 IonicContact NH2-OD2 3.96Å; R296-Y516 PolarHBondContact NH1-OH 2.7Å | ||
| 297 | G | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 67.9 | -168.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R288 A305 S329 V330 V332 W334 | R288-G297 WeakPolarHBondContact CD-O 3.46Å; R288-G297 PolarHBondContact NE-O 2.88Å; G297-A305 PolarHBondContact O-N 2.63Å; G297-S329 PolarHBondContact N-OG 3.19Å; G297-V330 WeakPolarHBondContact CA-O 3.41Å; G297-V332 CarbonylContact C-O 3.59Å; G297-V332 WeakPolarHBondContact CA-O 3.32Å; G297-W334 VanDerWaalsContact CA-CD1 3.42Å |
| 298 | V | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -86.6 | 159.1 | 175.5 | 76.1 | 0 | 0 | 0 | 0 | 112 | R288 G302 N303 V304 V332 F333 | R288-V298 PolarHBondContact NE-O 3.23Å; R288-V298 PolarHBondContact NH2-O 3.03Å; R288-V298 VanDerWaalsContact NH2-O 3.08Å; V298-G302 VanDerWaalsContact CG2-C 3.46Å; V298-G302 WeakPolarHBondContact CG2-O 3.37Å; V298-N303 CarbonylContact C-O 3.39Å; V298-N303 WeakPolarHBondContact CA-O 3.48Å; V298-V304 HydrophobicContact CB-CG1 4.46Å; V298-V304 HydrophobicContact CG2-CG1 4.39Å; V298-V332 PolarHBondContact N-O 2.82Å; V298-F333 HydrophobicContact CG1-CD1 4.35Å; V298-F333 HydrophobicContact CG1-CD2 3.87Å; V298-F333 HydrophobicContact CG1-CE1 4.06Å; V298-F333 HydrophobicContact CG1-CE2 3.54Å; V298-F333 HydrophobicContact CG1-CG 4.25Å; V298-F333 HydrophobicContact CG1-CZ 3.64Å; V298-F333 WeakPolarHBondContact O-CE1 3.27Å |
| 299 | D | 92.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | trans | -100.8 | -169.6 | 166.1 | 65.5 | 20.9 | 0 | 0 | 0 | 113.2 | N301 G302 N303 F333 | D299-N301 PolarHBondContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CA 3.46Å; D299-N301 WeakPolarHBondContact OD1-CB 3.48Å; D299-N301 PolarHBondContact OD1-N 3.32Å; D299-G302 PolarHBondContact OD1-N 2.84Å; D299-N303 PolarHBondContact N-O 3.23Å; D299-N303 PolarHBondContact OD1-N 2.96Å; D299-N303 PolarHBondContact OD1-ND2 2.91Å; D299-N303 WeakPolarHBondContact OD2-CB 3.44Å; D299-N303 PolarHBondContact OD2-ND2 3.15Å; D299-F333 WeakPolarHBondContact O-CZ 3.43Å | ||
| 300 | K | 91.3 | Very high | 90.8 | Very high | 160 Ų | 160 | 29.8 Ų | 29.8 | 70% | 0.696 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -8.4 | 177.7 | -65.8 | -172.1 | -179.6 | -175.9 | 0 | 114 | Y357 | K300-Y357 VanDerWaalsContact CA-CE1 3.49Å; K300-Y357 HydrophobicContact CB-CE1 4.03Å; K300-Y357 HydrophobicContact CG-CE1 4.41Å; K300-Y357 VanDerWaalsContact O-CD1 3.32Å; K300-Y357 WeakPolarHBondContact O-CD1 3.43Å; K300-Y357 VanDerWaalsContact O-CE1 3.24Å; K300-Y357 WeakPolarHBondContact O-CE1 3.48Å |
| 301 | N | 91.7 | Very high | 91.3 | Very high | 128 Ų | 128 | 29.8 Ų | 29.8 | 68% | 0.684 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 7.9 | -174.6 | -57.8 | 14.5 | 0 | 0 | 0 | 111.3 | D299 | D299-N301 PolarHBondContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CA 3.46Å; D299-N301 WeakPolarHBondContact OD1-CB 3.48Å; D299-N301 PolarHBondContact OD1-N 3.32Å |
| 302 | G | 93.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 30 Ų | 30 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 83.5 | -1.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | V298 D299 V304 H361 | V298-G302 VanDerWaalsContact CG2-C 3.46Å; V298-G302 WeakPolarHBondContact CG2-O 3.37Å; D299-G302 PolarHBondContact OD1-N 2.84Å; G302-V304 PolarHBondContact O-N 2.8Å; G302-H361 VanDerWaalsContact O-CB 3.3Å; G302-H361 WeakPolarHBondContact O-CB 3.3Å; G302-H361 PolarHBondContact O-ND1 3.41Å |
| 303 | N | 94.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 18% | 0.176 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 128.5 | -179.6 | -55.5 | -77.1 | 0 | 0 | 0 | 110.8 | H287 R288 V298 D299 | H287-N303 HydrophobicContact CB-CB 3.98Å; H287-N303 VanDerWaalsContact CB-OD1 3.31Å; H287-N303 WeakPolarHBondContact CB-OD1 3.48Å; R288-N303 HydrophobicContact CB-CB 4.14Å; R288-N303 WeakPolarHBondContact CD-O 3.46Å; V298-N303 CarbonylContact C-O 3.39Å; V298-N303 WeakPolarHBondContact CA-O 3.48Å; D299-N303 PolarHBondContact N-O 3.23Å; D299-N303 PolarHBondContact OD1-N 2.96Å; D299-N303 PolarHBondContact OD1-ND2 2.91Å; D299-N303 WeakPolarHBondContact OD2-CB 3.44Å; D299-N303 PolarHBondContact OD2-ND2 3.15Å |
| 304 | V | 94.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 140.2 | 170.7 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | V298 G302 N306 Y307 P331 | V298-V304 HydrophobicContact CB-CG1 4.46Å; V298-V304 HydrophobicContact CG2-CG1 4.39Å; G302-V304 PolarHBondContact O-N 2.8Å; V304-N306 PolarHBondContact O-N 2.98Å; V304-Y307 HydrophobicContact CG2-CD2 3.77Å; V304-Y307 HydrophobicContact CG2-CG 4.37Å; V304-P331 HydrophobicContact CG1-CB 3.55Å |
| 305 | A | 92.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 132.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R288 R295 G297 Y307 S329 | R288-A305 HydrophobicContact CG-CB 3.96Å; R288-A305 WeakPolarHBondContact O-CA 3.49Å; R295-A305 HydrophobicContact CB-CB 4.14Å; G297-A305 PolarHBondContact O-N 2.63Å; A305-Y307 VanDerWaalsContact C-N 3.34Å; A305-Y307 PolarHBondContact O-N 2.77Å; A305-S329 VanDerWaalsContact O-CB 3.27Å; A305-S329 WeakPolarHBondContact O-CB 3.37Å; A305-S329 PolarHBondContact O-N 2.76Å |
| 306 | N | 90.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 41.7 | 174.3 | -58.8 | -65 | 0 | 0 | 0 | 114.7 | R284 G290 V304 Y516 | R284-N306 PolarHBondContact NE-OD1 3.44Å; R284-N306 PolarHBondContact NH2-OD1 3.32Å; G290-N306 PolarHBondContact N-OD1 3.11Å; G290-N306 VanDerWaalsContact O-CG 3.27Å; G290-N306 PolarHBondContact O-ND2 2.95Å; G290-N306 PolarHBondContact O-OD1 2.85Å; V304-N306 PolarHBondContact O-N 2.98Å; N306-Y516 HydrophobicContact CB-CD2 4.12Å; N306-Y516 HydrophobicContact CB-CE2 4.21Å; N306-Y516 WeakPolarHBondContact ND2-CE2 3.46Å |
| 307 | Y | 95 | Very high | 94.5 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | trans | -57.7 | 135 | 164.7 | -169.9 | -98 | 0 | 0 | 0 | 111 | F209 S285 V304 A305 T326 R327 Q365 Y369 | F209-Y307 HydrophobicContact CE1-CD1 4.3Å; F209-Y307 HydrophobicContact CZ-CD1 4.21Å; F209-Y307 HydrophobicContact CZ-CE1 4.03Å; S285-Y307 PolarHBondContact N-O 3.08Å; V304-Y307 HydrophobicContact CG2-CD2 3.77Å; V304-Y307 HydrophobicContact CG2-CG 4.37Å; A305-Y307 VanDerWaalsContact C-N 3.34Å; A305-Y307 PolarHBondContact O-N 2.77Å; Y307-T326 HydrophobicContact CE1-CG2 4.45Å; Y307-T326 HydrophobicContact CE2-CG2 4.4Å; Y307-T326 VanDerWaalsContact OH-CG2 3.31Å; Y307-T326 WeakPolarHBondContact OH-CG2 3.19Å; Y307-R327 CarbonylContact C-O 3.49Å; Y307-R327 WeakPolarHBondContact CA-O 3.3Å; Y307-Q365 VanDerWaalsContact CE2-OE1 3.32Å; Y307-Q365 VanDerWaalsContact OH-CD 3.28Å; Y307-Q365 PolarHBondContact OH-NE2 3.03Å; Y307-Q365 PolarHBondContact OH-OE1 3.45Å; Y307-Y369 VanDerWaalsContact OH-CE2 3.24Å; Y307-Y369 WeakPolarHBondContact OH-CE2 3.37Å; Y307-Y369 PolarHBondContact OH-OH 2.78Å | ||
| 308 | V | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 109 | R283 R284 T326 R327 I512 | R283-V308 CarbonylContact O-C 3.55Å; R283-V308 VanDerWaalsContact O-CA 3.23Å; R283-V308 WeakPolarHBondContact O-CA 3.48Å; R283-V308 WeakPolarHBondContact O-CG1 3.46Å; R284-V308 HydrophobicContact CB-CG2 4.19Å; R284-V308 HydrophobicContact CG-CG2 4.14Å; V308-T326 WeakPolarHBondContact O-CA 3.48Å; V308-R327 HydrophobicContact CB-CG 3.85Å; V308-R327 HydrophobicContact CG1-CG 4.49Å; V308-R327 PolarHBondContact N-O 2.83Å; V308-R327 PolarHBondContact O-N 2.82Å; V308-I512 HydrophobicContact CG2-CG2 4.16Å |
| 309 | E | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127 | 165.3 | -173.1 | 179.1 | 82.6 | 0 | 0 | 108.4 | R190 R208 F209 S282 R283 V324 T326 Y369 | R190-E309 IonicContact CZ-OE1 2.73Å; R190-E309 IonicContact CZ-OE2 3.1Å; R190-E309 IonicContact NH1-OE1 3.53Å; R190-E309 PolarHBondContact NH1-OE1 2.89Å; R190-E309 IonicContact NH1-OE2 3.35Å; R190-E309 PolarHBondContact NH1-OE2 2.81Å; R190-E309 IonicContact NH2-OE1 3.63Å; R190-E309 PolarHBondContact NH2-OE1 2.89Å; R190-E309 IonicContact NH2-OE2 3.22Å; R190-E309 PolarHBondContact NH2-OE2 2.91Å; R208-E309 IonicContact NH2-OE2 2.65Å; F209-E309 HydrophobicContact CE1-CB 4.26Å; F209-E309 HydrophobicContact CE2-CB 4.14Å; F209-E309 HydrophobicContact CZ-CB 3.56Å; S282-E309 CarbonylContact C-O 3.57Å; S282-E309 WeakPolarHBondContact CA-O 3.42Å; R283-E309 IonicContact CZ-OE1 2.74Å; R283-E309 PolarHBondContact N-O 2.91Å; R283-E309 IonicContact NE-OE1 3.65Å; R283-E309 PolarHBondContact NE-OE1 2.85Å; R283-E309 IonicContact NH2-OE1 2.76Å; R283-E309 PolarHBondContact NH2-OE1 2.88Å; R283-E309 PolarHBondContact O-N 2.78Å; E309-V324 HydrophobicContact CG-CG1 3.47Å; E309-V324 VanDerWaalsContact CG-CG1 3.47Å; E309-T326 HydrophobicContact CG-CG2 4.41Å; E309-Y369 VanDerWaalsContact OE2-CE1 3.27Å; E309-Y369 WeakPolarHBondContact OE2-CE1 3.43Å; E309-Y369 VanDerWaalsContact OE2-CZ 3.32Å; E309-Y369 PolarHBondContact OE2-OH 3.2Å |
| 310 | T | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.2 | 175.8 | -53 | 0 | 0 | 0 | 0 | 108.1 | L280 I281 S282 Q325 R327 Q469 W505 | L280-T310 HydrophobicContact CD1-CG2 3.78Å; I281-T310 CarbonylContact O-C 3.5Å; I281-T310 WeakPolarHBondContact O-CA 3.48Å; S282-T310 WeakPolarHBondContact OG-CG2 3.41Å; S282-T310 PolarHBondContact OG-OG1 3.48Å; T310-Q325 PolarHBondContact N-O 3.01Å; T310-Q325 PolarHBondContact O-N 3.33Å; T310-R327 PolarHBondContact OG1-NE 2.91Å; T310-R327 PolarHBondContact OG1-NH2 2.92Å; T310-R327 VanDerWaalsContact OG1-NH2 3.15Å; T310-Q469 PolarHBondContact OG1-OE1 2.86Å; T310-W505 HydrophobicContact CG2-CH2 3.49Å; T310-W505 VanDerWaalsContact CG2-CH2 3.49Å; T310-W505 HydrophobicContact CG2-CZ2 4.3Å; T310-W505 HydrophobicContact CG2-CZ3 3.89Å |
| 311 | E | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.6 | 177.3 | 175.1 | 175.6 | -135.9 | 0 | 0 | 109.9 | S187 V188 I281 R283 L313 S322 F323 V324 | S187-E311 WeakPolarHBondContact CA-OE1 3.45Å; S187-E311 WeakPolarHBondContact CB-OE1 3.3Å; V188-E311 PolarHBondContact N-OE1 2.95Å; I281-E311 HydrophobicContact CB-CB 4.49Å; I281-E311 PolarHBondContact N-O 3.39Å; I281-E311 PolarHBondContact O-N 3.1Å; R283-E311 IonicContact CZ-OE2 3.73Å; R283-E311 VanDerWaalsContact CZ-OE2 3.23Å; R283-E311 IonicContact NH1-OE2 3.12Å; R283-E311 PolarHBondContact NH1-OE2 3.3Å; R283-E311 IonicContact NH2-OE1 2.68Å; R283-E311 IonicContact NH2-OE2 3.19Å; R283-E311 PolarHBondContact NH2-OE2 2.81Å; E311-L313 HydrophobicContact CG-CD2 3.64Å; E311-L313 HydrophobicContact CG-CG 4.18Å; E311-S322 PolarHBondContact OE1-OG 2.99Å; E311-F323 WeakPolarHBondContact CA-O 3.37Å; E311-V324 HydrophobicContact CB-CG2 4.25Å; E311-V324 HydrophobicContact CG-CG2 4.21Å |
| 312 | Q | 98.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.2 | 166.8 | 178.4 | -179.1 | 16.6 | 0 | 0 | 108.7 | A279 S322 F323 A473 M477 | A279-Q312 WeakPolarHBondContact O-CA 3.47Å; Q312-S322 WeakPolarHBondContact O-CA 3.47Å; Q312-F323 PolarHBondContact N-O 2.83Å; Q312-F323 PolarHBondContact O-N 2.9Å; Q312-A473 PolarHBondContact OE1-O 2.8Å; Q312-M477 PolarHBondContact NE2-SD 2.85Å |
| 313 | L | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.2 | 171.3 | -54.1 | -178.2 | 0 | 0 | 0 | 110.2 | L77 V188 V278 A279 I281 E311 L321 | L77-L313 HydrophobicContact CD2-CD1 4.05Å; V188-L313 HydrophobicContact CB-CD2 4.38Å; V188-L313 HydrophobicContact CG2-CD1 4.21Å; V188-L313 HydrophobicContact CG2-CD2 3.57Å; V278-L313 WeakPolarHBondContact CA-O 3.34Å; A279-L313 HydrophobicContact CB-CB 4.12Å; A279-L313 HydrophobicContact CB-CD1 4.33Å; A279-L313 HydrophobicContact CB-CG 4.48Å; A279-L313 PolarHBondContact N-O 2.9Å; A279-L313 PolarHBondContact O-N 2.88Å; I281-L313 HydrophobicContact CD1-CD1 3.95Å; E311-L313 HydrophobicContact CG-CD2 3.64Å; E311-L313 HydrophobicContact CG-CG 4.18Å; L313-L321 CarbonylContact C-O 3.03Å; L313-L321 VanDerWaalsContact CA-O 3.29Å; L313-L321 WeakPolarHBondContact CA-O 3.27Å |
| 314 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.5 | 168 | -61.1 | -64.4 | 0 | 0 | 0 | 107.4 | F276 L277 V278 V316 L321 M477 L481 L484 | F276-I314 HydrophobicContact CD2-CD1 3.99Å; F276-I314 HydrophobicContact CD2-CG2 4.14Å; F276-I314 HydrophobicContact CE2-CD1 3.87Å; L277-I314 WeakPolarHBondContact O-CA 3.43Å; V278-I314 HydrophobicContact CB-CD1 3.87Å; V278-I314 HydrophobicContact CG2-CD1 3.72Å; I314-V316 HydrophobicContact CG2-CG2 4.49Å; I314-L321 HydrophobicContact CB-CB 4.44Å; I314-L321 PolarHBondContact N-O 2.85Å; I314-L321 PolarHBondContact O-N 2.96Å; I314-M477 HydrophobicContact CD1-CG 3.69Å; I314-M477 HydrophobicContact CD1-SD 3.74Å; I314-M477 HydrophobicContact CG1-CG 4.07Å; I314-L481 HydrophobicContact CG2-CD2 3.88Å; I314-L484 HydrophobicContact CG2-CD1 4.35Å |
| 315 | H | 96 | Very high | 95.8 | Very high | 42 Ų | 42 | 20.3 Ų | 20.3 | 19% | 0.194 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130 | -177 | 173.3 | 70.1 | 0 | 0 | 0 | 111.5 | P78 F276 L277 H317 H319 T320 | P78-H315 HydrophobicContact CG-CB 3.74Å; F276-H315 WeakPolarHBondContact CA-O 3.45Å; L277-H315 HydrophobicContact CB-CB 4.25Å; L277-H315 HydrophobicContact CD2-CB 4.22Å; L277-H315 PolarHBondContact N-O 2.97Å; L277-H315 PolarHBondContact O-N 3.08Å; H315-H317 PolarHBondContact CE1-O 2.74Å; H315-H317 PolarHBondContact NE2-O 3.32Å; H315-H319 WeakPolarHBondContact CA-O 3.31Å; H315-H319 PolarHBondContact ND1-O 3.37Å; H315-T320 PolarHBondContact ND1-OG1 2.69Å; H315-T320 VanDerWaalsContact ND1-OG1 3.11Å |
| 316 | V | 94.1 | Very high | 96 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 117.2 | -172.7 | 172 | 0 | 0 | 0 | 0 | 108.3 | F276 I314 N318 H319 L484 V486 | F276-V316 HydrophobicContact CB-CG2 3.45Å; F276-V316 VanDerWaalsContact CB-CG2 3.45Å; I314-V316 HydrophobicContact CG2-CG2 4.49Å; V316-N318 PolarHBondContact O-N 2.91Å; V316-N318 VanDerWaalsContact O-N 3.14Å; V316-H319 PolarHBondContact N-O 3.43Å; V316-H319 WeakPolarHBondContact O-CB 3.33Å; V316-H319 PolarHBondContact O-N 2.9Å; V316-L484 HydrophobicContact CB-CD1 4.12Å; V316-L484 HydrophobicContact CG2-CD1 3.9Å; V316-V486 HydrophobicContact CG1-CG2 3.77Å; V316-V486 HydrophobicContact CG2-CG2 4.05Å |
| 317 | H | 88.1 | Confident | 96.2 | Very high | 160 Ų | 160 | 19.7 Ų | 19.7 | 74% | 0.741 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | -117.4 | -172.8 | -56.9 | 97 | 0 | 0 | 0 | 110.7 | H315 | H315-H317 PolarHBondContact CE1-O 2.74Å; H315-H317 PolarHBondContact NE2-O 3.32Å |
| 318 | N | 90.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 20 Ų | 20 | 47% | 0.471 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 3.5 | -178.1 | -61.5 | -1.4 | 0 | 0 | 0 | 112.8 | V316 D442 E443 | V316-N318 PolarHBondContact O-N 2.91Å; V316-N318 VanDerWaalsContact O-N 3.14Å; N318-D442 WeakPolarHBondContact O-CA 3.46Å; N318-E443 HydrophobicContact CB-CG 4.1Å; N318-E443 PolarHBondContact ND2-OE1 2.96Å; N318-E443 PolarHBondContact ND2-OE2 2.69Å |
| 319 | H | 95.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 20.3 Ų | 20.3 | 27% | 0.273 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.5 | 178.9 | -62.8 | -55.5 | 0 | 0 | 0 | 111.9 | H315 V316 L321 W440 V441 D442 L484 | H315-H319 WeakPolarHBondContact CA-O 3.31Å; H315-H319 PolarHBondContact ND1-O 3.37Å; V316-H319 PolarHBondContact N-O 3.43Å; V316-H319 WeakPolarHBondContact O-CB 3.33Å; V316-H319 PolarHBondContact O-N 2.9Å; H319-L321 HydrophobicContact CB-CD1 3.93Å; H319-W440 AromaticContact CG-NE1 3.5Å; H319-W440 AromaticContact ND1-NE1 3.36Å; H319-W440 PolarHBondContact ND1-NE1 2.79Å; H319-V441 WeakPolarHBondContact CA-O 3.37Å; H319-D442 IonicContact CE1-OD2 2.84Å; H319-D442 WeakPolarHBondContact ND1-CB 3.47Å; H319-L484 HydrophobicContact CB-CD2 3.97Å |
| 320 | T | 96.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 14% | 0.141 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121 | 172.9 | -56 | 0 | 0 | 0 | 0 | 109.7 | P78 V188 H315 V441 | P78-T320 HydrophobicContact CG-CG2 4.41Å; V188-T320 HydrophobicContact CG1-CG2 4.4Å; V188-T320 HydrophobicContact CG2-CG2 4.34Å; H315-T320 PolarHBondContact ND1-OG1 2.69Å; H315-T320 VanDerWaalsContact ND1-OG1 3.11Å; T320-V441 PolarHBondContact N-O 2.81Å; T320-V441 PolarHBondContact O-N 2.75Å |
| 321 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.2 | -177.3 | -69.1 | 70 | 0 | 0 | 0 | 108.9 | L313 I314 H319 C439 W440 Q480 L484 | L313-L321 CarbonylContact C-O 3.03Å; L313-L321 VanDerWaalsContact CA-O 3.29Å; L313-L321 WeakPolarHBondContact CA-O 3.27Å; I314-L321 HydrophobicContact CB-CB 4.44Å; I314-L321 PolarHBondContact N-O 2.85Å; I314-L321 PolarHBondContact O-N 2.96Å; H319-L321 HydrophobicContact CB-CD1 3.93Å; L321-C439 CarbonylContact C-O 3.59Å; L321-C439 VanDerWaalsContact CA-O 3.26Å; L321-C439 WeakPolarHBondContact CA-O 3.29Å; L321-W440 HydrophobicContact CD1-CD2 4.43Å; L321-W440 HydrophobicContact CD1-CG 3.97Å; L321-W440 HydrophobicContact CD2-CD2 4.31Å; L321-W440 HydrophobicContact CD2-CG 4.26Å; L321-W440 HydrophobicContact CG-CB 4.1Å; L321-W440 HydrophobicContact CG-CD2 4.28Å; L321-W440 HydrophobicContact CG-CG 3.75Å; L321-Q480 HydrophobicContact CD2-CB 3.82Å; L321-Q480 HydrophobicContact CD2-CG 3.81Å; L321-L484 HydrophobicContact CD1-CD1 3.89Å; L321-L484 HydrophobicContact CD1-CD2 4.17Å; L321-L484 HydrophobicContact CD1-CG 4.42Å; L321-L484 HydrophobicContact CD2-CD1 3.89Å; L321-L484 HydrophobicContact CD2-CG 4.24Å |
| 322 | S | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.9 | -174.3 | 141.8 | 0 | 0 | 0 | 0 | 110.5 | E311 Q312 C439 | E311-S322 PolarHBondContact OE1-OG 2.99Å; Q312-S322 WeakPolarHBondContact O-CA 3.47Å; S322-C439 PolarHBondContact N-O 3.05Å; S322-C439 PolarHBondContact O-N 3.05Å |
| 323 | F | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.5 | 171 | 178.8 | -121 | 0 | 0 | 0 | 111 | E311 Q312 Q325 W438 F454 I472 A473 V476 | E311-F323 WeakPolarHBondContact CA-O 3.37Å; Q312-F323 PolarHBondContact N-O 2.83Å; Q312-F323 PolarHBondContact O-N 2.9Å; F323-Q325 HydrophobicContact CD1-CG 4.32Å; F323-Q325 HydrophobicContact CE1-CG 3.58Å; F323-Q325 HydrophobicContact CZ-CG 3.76Å; F323-W438 HydrophobicContact CB-CB 4.44Å; F323-F454 HydrophobicContact CZ-CD2 4.08Å; F323-F454 HydrophobicContact CZ-CE2 4.45Å; F323-I472 HydrophobicContact CE1-CG2 3.95Å; F323-I472 HydrophobicContact CZ-CG2 3.81Å; F323-A473 HydrophobicContact CD1-CB 4.41Å; F323-A473 HydrophobicContact CE1-CB 4.45Å; F323-V476 HydrophobicContact CB-CG1 3.9Å; F323-V476 HydrophobicContact CD1-CB 3.99Å; F323-V476 HydrophobicContact CD1-CG1 4.08Å; F323-V476 HydrophobicContact CD1-CG2 4.07Å; F323-V476 HydrophobicContact CD2-CB 4.48Å; F323-V476 HydrophobicContact CD2-CG1 4Å; F323-V476 HydrophobicContact CD2-CG2 4.16Å; F323-V476 HydrophobicContact CE1-CB 4.19Å; F323-V476 HydrophobicContact CE1-CG2 3.8Å; F323-V476 HydrophobicContact CE2-CG2 3.92Å; F323-V476 HydrophobicContact CG-CB 4.15Å; F323-V476 HydrophobicContact CG-CG1 3.73Å; F323-V476 HydrophobicContact CG-CG2 4.24Å; F323-V476 HydrophobicContact CZ-CG2 3.73Å |
| 324 | V | 98.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.036 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135 | -175.8 | -179.6 | 0 | 0 | 0 | 0 | 111 | E309 E311 Y369 Q450 I453 | E309-V324 HydrophobicContact CG-CG1 3.47Å; E309-V324 VanDerWaalsContact CG-CG1 3.47Å; E311-V324 HydrophobicContact CB-CG2 4.25Å; E311-V324 HydrophobicContact CG-CG2 4.21Å; V324-Y369 HydrophobicContact CG1-CE1 4.34Å; V324-Q450 PolarHBondContact O-NE2 2.82Å; V324-I453 HydrophobicContact CB-CG2 4.47Å; V324-I453 HydrophobicContact CG1-CG2 4.47Å |
| 325 | Q | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159.7 | 170.7 | -65.3 | -178.6 | 76.8 | 0 | 0 | 110 | T310 F323 F454 Q469 | T310-Q325 PolarHBondContact N-O 3.01Å; T310-Q325 PolarHBondContact O-N 3.33Å; F323-Q325 HydrophobicContact CD1-CG 4.32Å; F323-Q325 HydrophobicContact CE1-CG 3.58Å; F323-Q325 HydrophobicContact CZ-CG 3.76Å; Q325-F454 HydrophobicContact CG-CB 4.48Å; Q325-Q469 HydrophobicContact CB-CG 4.45Å; Q325-Q469 PolarHBondContact NE2-O 2.88Å |
| 326 | T | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 161 | 176.8 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | Y307 V308 E309 I453 F454 R455 V456 Q469 | Y307-T326 HydrophobicContact CE1-CG2 4.45Å; Y307-T326 HydrophobicContact CE2-CG2 4.4Å; Y307-T326 VanDerWaalsContact OH-CG2 3.31Å; Y307-T326 WeakPolarHBondContact OH-CG2 3.19Å; V308-T326 WeakPolarHBondContact O-CA 3.48Å; E309-T326 HydrophobicContact CG-CG2 4.41Å; T326-I453 HydrophobicContact CG2-CD1 3.43Å; T326-I453 VanDerWaalsContact CG2-CD1 3.43Å; T326-F454 PolarHBondContact N-O 3.33Å; T326-R455 WeakPolarHBondContact O-CA 3.43Å; T326-R455 WeakPolarHBondContact OG1-CB 3.49Å; T326-R455 WeakPolarHBondContact OG1-CG 3.36Å; T326-V456 PolarHBondContact O-N 2.96Å; T326-Q469 VanDerWaalsContact C-NE2 3.32Å; T326-Q469 PolarHBondContact O-NE2 2.92Å |
| 327 | R | 94.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 153.1 | 173.5 | 54.8 | -171.6 | 160.2 | -173.7 | -3.6 | 108.9 | S282 Y307 V308 T310 V456 N466 Q469 N508 | S282-R327 PolarHBondContact OG-NH2 3.23Å; Y307-R327 CarbonylContact C-O 3.49Å; Y307-R327 WeakPolarHBondContact CA-O 3.3Å; V308-R327 HydrophobicContact CB-CG 3.85Å; V308-R327 HydrophobicContact CG1-CG 4.49Å; V308-R327 PolarHBondContact N-O 2.83Å; V308-R327 PolarHBondContact O-N 2.82Å; T310-R327 PolarHBondContact OG1-NE 2.91Å; T310-R327 PolarHBondContact OG1-NH2 2.92Å; T310-R327 VanDerWaalsContact OG1-NH2 3.15Å; R327-V456 WeakPolarHBondContact CB-O 3.43Å; R327-N466 PolarHBondContact NH1-OD1 2.91Å; R327-Q469 VanDerWaalsContact CD-OE1 3.31Å; R327-N508 PolarHBondContact NH2-ND2 3.04Å; R327-N508 PolarHBondContact NH2-OD1 3.15Å; R327-N508 VanDerWaalsContact NH2-OD1 3.12Å |
| 328 | G | 91.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 18.4 Ų | 18.4 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -176.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 329 | S | 92.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 8% | 0.077 | 12% | 0.12 | C | C | . | . | trans | -65.6 | 155.3 | 172 | -149.7 | 0 | 0 | 0 | 0 | 111.7 | G297 A305 W334 | G297-S329 PolarHBondContact N-OG 3.19Å; A305-S329 VanDerWaalsContact O-CB 3.27Å; A305-S329 WeakPolarHBondContact O-CB 3.37Å; A305-S329 PolarHBondContact O-N 2.76Å; S329-W334 PolarHBondContact OG-NE1 3.2Å | ||
| 330 | V | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -62.9 | 128.4 | 170.7 | 174 | 0 | 0 | 0 | 0 | 108.8 | G297 V332 W334 I387 Y391 | G297-V330 WeakPolarHBondContact CA-O 3.41Å; V330-V332 HydrophobicContact CG1-CG1 4.23Å; V330-V332 HydrophobicContact CG1-CG2 4.06Å; V330-V332 PolarHBondContact O-N 3.18Å; V330-W334 PolarHBondContact O-NE1 3.11Å; V330-I387 HydrophobicContact CB-CG2 3.87Å; V330-I387 HydrophobicContact CG1-CG2 3.87Å; V330-I387 HydrophobicContact CG2-CG2 3.89Å; V330-Y391 HydrophobicContact CG1-CD1 3.98Å; V330-Y391 HydrophobicContact CG1-CD2 3.97Å; V330-Y391 HydrophobicContact CG1-CG 3.62Å; V330-Y391 HydrophobicContact CG2-CD1 4.18Å | ||
| 331 | P | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -75.1 | 45.5 | -172.3 | 27 | -31.8 | 0 | 0 | 0 | 115.1 | V304 F358 H361 F362 Y391 | V304-P331 HydrophobicContact CG1-CB 3.55Å; P331-F358 HydrophobicContact CB-CD2 4.11Å; P331-F358 HydrophobicContact CG-CD2 3.82Å; P331-F358 HydrophobicContact CG-CE2 3.74Å; P331-H361 HydrophobicContact CB-CB 4.45Å; P331-F362 HydrophobicContact CB-CE2 4.41Å; P331-F362 HydrophobicContact CG-CD2 4.43Å; P331-F362 HydrophobicContact CG-CE2 3.48Å; P331-F362 VanDerWaalsContact CG-CE2 3.48Å; P331-F362 HydrophobicContact CG-CZ 4.05Å; P331-Y391 HydrophobicContact CG-CD2 4.38Å; P331-Y391 HydrophobicContact CG-CE2 3.78Å |
| 332 | V | 94.6 | Very high | 85.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -116.5 | 167.1 | 171 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | G297 V298 V330 W334 L347 T354 Q394 | G297-V332 CarbonylContact C-O 3.59Å; G297-V332 WeakPolarHBondContact CA-O 3.32Å; V298-V332 PolarHBondContact N-O 2.82Å; V330-V332 HydrophobicContact CG1-CG1 4.23Å; V330-V332 HydrophobicContact CG1-CG2 4.06Å; V330-V332 PolarHBondContact O-N 3.18Å; V332-W334 HydrophobicContact CG2-CB 4.18Å; V332-W334 HydrophobicContact CG2-CG 4.1Å; V332-W334 PolarHBondContact O-N 3.23Å; V332-L347 HydrophobicContact CG2-CD2 3.98Å; V332-T354 HydrophobicContact CB-CG2 3.88Å; V332-T354 HydrophobicContact CG1-CG2 3.98Å; V332-Q394 HydrophobicContact CG1-CG 4.12Å |
| 333 | F | 93.7 | Very high | 84.8 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 9% | 0.088 | 17% | 0.174 | C | C | . | . | trans | -81.6 | 106.9 | 171.1 | -70.7 | -85.4 | 0 | 0 | 0 | 109.6 | V298 D299 L347 D348 K349 T354 Y357 | V298-F333 HydrophobicContact CG1-CD1 4.35Å; V298-F333 HydrophobicContact CG1-CD2 3.87Å; V298-F333 HydrophobicContact CG1-CE1 4.06Å; V298-F333 HydrophobicContact CG1-CE2 3.54Å; V298-F333 HydrophobicContact CG1-CG 4.25Å; V298-F333 HydrophobicContact CG1-CZ 3.64Å; V298-F333 WeakPolarHBondContact O-CE1 3.27Å; D299-F333 WeakPolarHBondContact O-CZ 3.43Å; F333-L347 CarbonylContact O-C 3.56Å; F333-L347 WeakPolarHBondContact O-CA 3.23Å; F333-D348 HydrophobicContact CB-CB 4.43Å; F333-D348 PolarHBondContact O-N 3.36Å; F333-K349 HydrophobicContact CB-CB 3.94Å; F333-K349 HydrophobicContact CB-CD 4.23Å; F333-K349 HydrophobicContact CB-CG 3.77Å; F333-K349 HydrophobicContact CD1-CD 4.2Å; F333-K349 HydrophobicContact CD1-CG 4.4Å; F333-K349 HydrophobicContact CD2-CB 4.35Å; F333-K349 HydrophobicContact CD2-CD 3.6Å; F333-K349 HydrophobicContact CD2-CG 4.11Å; F333-K349 HydrophobicContact CE2-CD 4Å; F333-K349 VanDerWaalsContact CE2-NZ 3.26Å; F333-K349 HydrophobicContact CG-CB 4.3Å; F333-K349 HydrophobicContact CG-CD 3.72Å; F333-K349 HydrophobicContact CG-CG 3.82Å; F333-K349 HydrophobicContact CZ-CD 4.47Å; F333-T354 HydrophobicContact CD2-CG2 4.31Å; F333-Y357 AromaticContact CE2-CD2 3.47Å; F333-Y357 HydrophobicContact CE2-CD2 3.47Å; F333-Y357 VanDerWaalsContact CE2-CD2 3.47Å; F333-Y357 HydrophobicContact CE2-CE2 4.1Å; F333-Y357 AromaticContact CE2-CG 3.71Å; F333-Y357 HydrophobicContact CE2-CG 3.71Å; F333-Y357 HydrophobicContact CZ-CD1 4.16Å; F333-Y357 AromaticContact CZ-CD2 3.85Å; F333-Y357 HydrophobicContact CZ-CD2 3.85Å; F333-Y357 HydrophobicContact CZ-CE2 4.28Å; F333-Y357 AromaticContact CZ-CG 3.76Å; F333-Y357 HydrophobicContact CZ-CG 3.76Å | ||
| 334 | W | 92.5 | Very high | 84 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.2 | -179.7 | 72.8 | -77.1 | 0 | 0 | 0 | 113.7 | R296 G297 S329 V330 V332 Q336 P345 R346 L347 D348 I387 M459 | R296-W334 HydrophobicContact CB-CD2 4.28Å; R296-W334 HydrophobicContact CB-CZ2 4.42Å; R296-W334 WeakPolarHBondContact CB-O 3.41Å; G297-W334 VanDerWaalsContact CA-CD1 3.42Å; S329-W334 PolarHBondContact OG-NE1 3.2Å; V330-W334 PolarHBondContact O-NE1 3.11Å; V332-W334 HydrophobicContact CG2-CB 4.18Å; V332-W334 HydrophobicContact CG2-CG 4.1Å; V332-W334 PolarHBondContact O-N 3.23Å; W334-Q336 HydrophobicContact CZ3-CG 4.2Å; W334-P345 HydrophobicContact CE3-CB 4.07Å; W334-P345 HydrophobicContact CZ3-CB 4.12Å; W334-R346 VanDerWaalsContact CA-O 3.24Å; W334-R346 WeakPolarHBondContact CA-O 3.49Å; W334-R346 VanDerWaalsContact CB-O 3.26Å; W334-R346 WeakPolarHBondContact CB-O 3.47Å; W334-L347 HydrophobicContact CB-CD2 4.21Å; W334-D348 WeakPolarHBondContact CA-OD2 3.09Å; W334-I387 HydrophobicContact CB-CD1 3.7Å; W334-I387 HydrophobicContact CD2-CD1 3.84Å; W334-I387 HydrophobicContact CD2-CG1 4.17Å; W334-I387 HydrophobicContact CD2-CG2 4.36Å; W334-I387 HydrophobicContact CE3-CD1 3.82Å; W334-I387 HydrophobicContact CE3-CG1 3.92Å; W334-I387 HydrophobicContact CG-CD1 3.83Å; W334-I387 HydrophobicContact CZ2-CG2 4.35Å; W334-I387 HydrophobicContact CZ3-CG1 4.19Å; W334-M459 HydrophobicContact CH2-CB 4.42Å; W334-M459 HydrophobicContact CH2-CG 3.3Å; W334-M459 HydrophobicContact CH2-SD 4.33Å; W334-M459 HydrophobicContact CZ2-CG 4.24Å; W334-M459 HydrophobicContact CZ3-CG 3.69Å; W334-M459 HydrophobicContact CZ3-SD 4.13Å |
| 335 | S | 88.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 169.2 | 179.3 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | P345 R346 D348 | S335-P345 WeakPolarHBondContact O-CA 3.41Å; S335-R346 PolarHBondContact N-O 3.29Å; S335-R346 PolarHBondContact O-N 2.61Å; S335-R346 PolarHBondContact OG-NE 3.48Å; S335-R346 PolarHBondContact OG-NH2 3.08Å; S335-D348 WeakPolarHBondContact CB-OD2 3.26Å; S335-D348 PolarHBondContact N-OD2 2.87Å; S335-D348 VanDerWaalsContact OG-CG 3.25Å; S335-D348 PolarHBondContact OG-OD1 2.84Å; S335-D348 PolarHBondContact OG-OD2 3.3Å; S335-D348 VanDerWaalsContact OG-OD2 3.09Å |
| 336 | Q | 83 | Confident | 83.1 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | trans | -137.3 | 75.3 | 179.2 | -98.7 | -174.1 | -54.4 | 0 | 0 | 108.3 | Y293 W334 P343 P345 D460 | Y293-Q336 HydrophobicContact CD1-CB 3.8Å; Y293-Q336 HydrophobicContact CE1-CB 4.24Å; W334-Q336 HydrophobicContact CZ3-CG 4.2Å; Q336-P343 HydrophobicContact CB-CB 4.47Å; Q336-P343 HydrophobicContact CB-CG 3.96Å; Q336-P343 HydrophobicContact CG-CG 4.43Å; Q336-P343 PolarHBondContact NE2-O 3.5Å; Q336-P345 HydrophobicContact CG-CB 3.99Å; Q336-D460 PolarHBondContact NE2-OD2 3.27Å; Q336-D460 PolarHBondContact OE1-OD2 3.28Å | ||
| 337 | V | 71.9 | Confident | 82.9 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 47% | 0.473 | 25% | 0.248 | S | C | . | . | trans | -90.8 | 157.2 | -177.2 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | P343 | V337-P343 VanDerWaalsContact O-CB 3.32Å; V337-P343 WeakPolarHBondContact O-CB 3.37Å | ||
| 338 | G | 64.4 | Low | 82.6 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 109.2 | 164.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R340 | G338-R340 PolarHBondContact O-N 3.14Š|
| 339 | Y | 61.5 | Low | 82.6 | Confident | 145 Ų | 145 | 58.4 Ų | 58.4 | 57% | 0.569 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -90.9 | 12.5 | -165.5 | -57.3 | -63.7 | 0 | 0 | 0 | 115.4 | R552 | Y339-R552 PolarHBondContact O-NH2 2.91Š|
| 340 | R | 62.3 | Low | 82.5 | Confident | 185 Ų | 185 | 60.5 Ų | 60.5 | 70% | 0.698 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -75.8 | 153.6 | 174.2 | -62.4 | -173.9 | -177.3 | -169.1 | 1.9 | 110 | G338 N342 | G338-R340 PolarHBondContact O-N 3.14Å; R340-N342 PolarHBondContact O-N 3Å |
| 341 | Y | 62.9 | Low | 82.4 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -56.6 | -37.3 | 178.9 | 172 | -96 | 0 | 0 | 0 | 113.1 | S544 Y548 | Y341-S544 WeakPolarHBondContact OH-CB 3.32Å; Y341-Y548 AromaticContact CD2-CD2 3.62Å; Y341-Y548 HydrophobicContact CD2-CD2 3.62Å; Y341-Y548 HydrophobicContact CD2-CE2 4.35Å; Y341-Y548 AromaticContact CD2-CG 3.82Å; Y341-Y548 HydrophobicContact CD2-CG 3.82Å; Y341-Y548 HydrophobicContact CE2-CD2 4.45Å; Y341-Y548 HydrophobicContact CE2-CG 4.33Å; Y341-Y548 HydrophobicContact CG-CD2 4.36Å |
| 342 | N | 71.1 | Confident | 82.2 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -131.4 | 95.1 | 171.1 | -177.9 | -37.9 | 0 | 0 | 0 | 107.7 | R340 R383 | R340-N342 PolarHBondContact O-N 3Å; N342-R383 VanDerWaalsContact CG-NH1 3.34Å; N342-R383 PolarHBondContact ND2-NH2 3.35Å; N342-R383 VanDerWaalsContact ND2-NH2 3.17Å; N342-R383 PolarHBondContact OD1-NH1 3.03Å |
| 343 | P | 76.1 | Confident | 82 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 144.6 | 178.2 | 26.6 | -34.4 | 0 | 0 | 0 | 111.2 | Y293 Q336 V337 | Y293-P343 HydrophobicContact CD1-CG 3.89Å; Y293-P343 HydrophobicContact CE1-CG 3.85Å; Q336-P343 HydrophobicContact CB-CB 4.47Å; Q336-P343 HydrophobicContact CB-CG 3.96Å; Q336-P343 HydrophobicContact CG-CG 4.43Å; Q336-P343 PolarHBondContact NE2-O 3.5Å; V337-P343 VanDerWaalsContact O-CB 3.32Å; V337-P343 WeakPolarHBondContact O-CB 3.37Å |
| 344 | R | 81.4 | Confident | 82 | Confident | 183 Ų | 183 | 77.2 Ų | 77.2 | 69% | 0.691 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 138.7 | 174.9 | -71.5 | -172.6 | 176.7 | -170.2 | -1.5 | 109.3 | ||
| 345 | P | 88.9 | Confident | 82.1 | Confident | 12 Ų | 12 | 79 Ų | 79 | 8% | 0.078 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -67 | 151.5 | 168.9 | 31.5 | -36.1 | 0 | 0 | 0 | 110.2 | W334 S335 Q336 R383 I386 I387 M459 | W334-P345 HydrophobicContact CE3-CB 4.07Å; W334-P345 HydrophobicContact CZ3-CB 4.12Å; S335-P345 WeakPolarHBondContact O-CA 3.41Å; Q336-P345 HydrophobicContact CG-CB 3.99Å; P345-R383 WeakPolarHBondContact CG-O 3.49Å; P345-I386 HydrophobicContact CB-CG2 4.32Å; P345-I386 HydrophobicContact CG-CG2 3.68Å; P345-I387 HydrophobicContact CB-CD1 4.07Å; P345-I387 HydrophobicContact CB-CG1 3.81Å; P345-I387 HydrophobicContact CG-CG1 4.25Å; P345-M459 HydrophobicContact CB-CE 4.23Å; P345-M459 HydrophobicContact CB-SD 3.96Å; P345-M459 HydrophobicContact CG-CE 3.92Å; P345-M459 HydrophobicContact CG-SD 3.74Å |
| 346 | R | 88.9 | Confident | 82.5 | Confident | 126 Ų | 126 | 81.3 Ų | 81.3 | 48% | 0.475 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 149.1 | 169 | 67.8 | -178.7 | -168.2 | -174.2 | 1.8 | 109.1 | W334 S335 D348 | W334-R346 VanDerWaalsContact CA-O 3.24Å; W334-R346 WeakPolarHBondContact CA-O 3.49Å; W334-R346 VanDerWaalsContact CB-O 3.26Å; W334-R346 WeakPolarHBondContact CB-O 3.47Å; S335-R346 PolarHBondContact N-O 3.29Å; S335-R346 PolarHBondContact O-N 2.61Å; S335-R346 PolarHBondContact OG-NE 3.48Å; S335-R346 PolarHBondContact OG-NH2 3.08Å; R346-D348 IonicContact CZ-OD1 3.98Å; R346-D348 IonicContact NE-OD1 2.67Å; R346-D348 PolarHBondContact NE-OD1 2.98Å; R346-D348 IonicContact NH2-OD1 3.38Å; R346-D348 PolarHBondContact NH2-OD1 2.63Å |
| 347 | L | 92.2 | Very high | 83.1 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.6 | 164.3 | -56.8 | 175.7 | 0 | 0 | 0 | 108 | V332 F333 W334 I386 I387 A390 | V332-L347 HydrophobicContact CG2-CD2 3.98Å; F333-L347 CarbonylContact O-C 3.56Å; F333-L347 WeakPolarHBondContact O-CA 3.23Å; W334-L347 HydrophobicContact CB-CD2 4.21Å; L347-I386 HydrophobicContact CG-CG1 4.43Å; L347-I387 HydrophobicContact CD2-CD1 3.74Å; L347-A390 HydrophobicContact CD1-CB 4.03Å; L347-A390 HydrophobicContact CD2-CB 3.9Å |
| 348 | D | 89.7 | Confident | 84.2 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -99.2 | -5.4 | 179.9 | -60.3 | -52.1 | 0 | 0 | 0 | 112.6 | F333 W334 S335 R346 | F333-D348 HydrophobicContact CB-CB 4.43Å; F333-D348 PolarHBondContact O-N 3.36Å; W334-D348 WeakPolarHBondContact CA-OD2 3.09Å; S335-D348 WeakPolarHBondContact CB-OD2 3.26Å; S335-D348 PolarHBondContact N-OD2 2.87Å; S335-D348 VanDerWaalsContact OG-CG 3.25Å; S335-D348 PolarHBondContact OG-OD1 2.84Å; S335-D348 PolarHBondContact OG-OD2 3.3Å; S335-D348 VanDerWaalsContact OG-OD2 3.09Å; R346-D348 IonicContact CZ-OD1 3.98Å; R346-D348 IonicContact NE-OD1 2.67Å; R346-D348 PolarHBondContact NE-OD1 2.98Å; R346-D348 IonicContact NH2-OD1 3.38Å; R346-D348 PolarHBondContact NH2-OD1 2.63Å |
| 349 | K | 91.1 | Very high | 85.7 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -144 | 168.9 | 173.2 | -63.4 | -163.7 | -165.6 | 168.7 | 0 | 111.2 | F333 E353 | F333-K349 HydrophobicContact CB-CB 3.94Å; F333-K349 HydrophobicContact CB-CD 4.23Å; F333-K349 HydrophobicContact CB-CG 3.77Å; F333-K349 HydrophobicContact CD1-CD 4.2Å; F333-K349 HydrophobicContact CD1-CG 4.4Å; F333-K349 HydrophobicContact CD2-CB 4.35Å; F333-K349 HydrophobicContact CD2-CD 3.6Å; F333-K349 HydrophobicContact CD2-CG 4.11Å; F333-K349 HydrophobicContact CE2-CD 4Å; F333-K349 VanDerWaalsContact CE2-NZ 3.26Å; F333-K349 HydrophobicContact CG-CB 4.3Å; F333-K349 HydrophobicContact CG-CD 3.72Å; F333-K349 HydrophobicContact CG-CG 3.82Å; F333-K349 HydrophobicContact CZ-CD 4.47Å; K349-E353 HydrophobicContact CB-CB 4.13Å; K349-E353 HydrophobicContact CD-CB 3.82Å |
| 350 | S | 90.9 | Very high | 87.3 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | trans | -71.1 | 166.5 | 170.9 | 71.1 | 0 | 0 | 0 | 0 | 113.7 | E353 T354 | S350-E353 VanDerWaalsContact CB-OE2 3.24Å; S350-E353 WeakPolarHBondContact CB-OE2 3.41Å; S350-E353 PolarHBondContact N-OE2 3.41Å; S350-E353 PolarHBondContact O-N 3.4Å; S350-E353 VanDerWaalsContact OG-CG 3.28Å; S350-E353 WeakPolarHBondContact OG-CG 3.33Å; S350-E353 PolarHBondContact OG-N 3.37Å; S350-E353 PolarHBondContact OG-OE2 3.41Å; S350-T354 PolarHBondContact O-N 3.17Å; S350-T354 PolarHBondContact O-OG1 3.01Å | ||
| 351 | E | 89.4 | Confident | 89 | Confident | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -60.1 | -44.9 | 176 | -163.3 | 168.4 | 157.4 | 0 | 0 | 111.6 | T354 V355 K393 Q394 L397 | E351-T354 WeakPolarHBondContact O-CB 3.4Å; E351-T354 PolarHBondContact O-N 2.95Å; E351-T354 VanDerWaalsContact O-N 3.14Å; E351-V355 WeakPolarHBondContact O-CG2 3.45Å; E351-V355 PolarHBondContact O-N 3.17Å; E351-K393 WeakPolarHBondContact OE1-CD 3.41Å; E351-K393 IonicContact OE1-NZ 3.98Å; E351-K393 IonicContact OE2-NZ 3.84Å; E351-K393 PolarHBondContact OE2-NZ 2.97Å; E351-Q394 VanDerWaalsContact CG-NE2 3.33Å; E351-Q394 PolarHBondContact O-NE2 2.71Å; E351-L397 HydrophobicContact CG-CD1 4.26Å |
| 352 | K | 90.8 | Very high | 90.6 | Very high | 192 Ų | 192 | 59.5 Ų | 59.5 | 84% | 0.835 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63 | -43 | 179.3 | -65.7 | -176.1 | 178.5 | -178 | 0 | 112.7 | T354 | K352-T354 PolarHBondContact O-N 3.23Å |
| 353 | E | 90.9 | Very high | 91.8 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71 | -11.2 | 177.1 | -66.8 | 167.3 | 93.7 | 0 | 0 | 113.9 | K349 S350 Y357 | K349-E353 HydrophobicContact CB-CB 4.13Å; K349-E353 HydrophobicContact CD-CB 3.82Å; S350-E353 VanDerWaalsContact CB-OE2 3.24Å; S350-E353 WeakPolarHBondContact CB-OE2 3.41Å; S350-E353 PolarHBondContact N-OE2 3.41Å; S350-E353 PolarHBondContact O-N 3.4Å; S350-E353 VanDerWaalsContact OG-CG 3.28Å; S350-E353 WeakPolarHBondContact OG-CG 3.33Å; S350-E353 PolarHBondContact OG-N 3.37Å; S350-E353 PolarHBondContact OG-OE2 3.41Å; E353-Y357 WeakPolarHBondContact O-CD2 3.22Å; E353-Y357 WeakPolarHBondContact O-CE2 3.49Å |
| 354 | T | 93.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -89.9 | -34.5 | -180 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | V332 F333 S350 E351 K352 A356 Y357 F358 Q394 | V332-T354 HydrophobicContact CB-CG2 3.88Å; V332-T354 HydrophobicContact CG1-CG2 3.98Å; F333-T354 HydrophobicContact CD2-CG2 4.31Å; S350-T354 PolarHBondContact O-N 3.17Å; S350-T354 PolarHBondContact O-OG1 3.01Å; E351-T354 WeakPolarHBondContact O-CB 3.4Å; E351-T354 PolarHBondContact O-N 2.95Å; E351-T354 VanDerWaalsContact O-N 3.14Å; K352-T354 PolarHBondContact O-N 3.23Å; T354-A356 PolarHBondContact O-N 3.39Å; T354-Y357 PolarHBondContact O-N 3.41Å; T354-Y357 VanDerWaalsContact O-N 3.08Å; T354-F358 PolarHBondContact O-N 2.93Å; T354-Q394 HydrophobicContact CG2-CG 4.32Å |
| 355 | V | 95.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -48.5 | -55.8 | -171.8 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | E351 Y357 F358 C359 Q394 L397 | E351-V355 WeakPolarHBondContact O-CG2 3.45Å; E351-V355 PolarHBondContact O-N 3.17Å; V355-Y357 PolarHBondContact O-N 2.99Å; V355-Y357 VanDerWaalsContact O-N 3.15Å; V355-F358 WeakPolarHBondContact O-CA 3.46Å; V355-F358 WeakPolarHBondContact O-CB 3.31Å; V355-F358 PolarHBondContact O-N 2.77Å; V355-C359 PolarHBondContact O-N 3.35Å; V355-C359 PolarHBondContact O-SG 3.07Å; V355-Q394 VanDerWaalsContact CA-OE1 3.27Å; V355-L397 HydrophobicContact CG2-CD1 4.02Å |
| 356 | A | 95.5 | Very high | 93.7 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 56% | 0.562 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.2 | -36.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T354 A360 | T354-A356 PolarHBondContact O-N 3.39Å; A356-A360 WeakPolarHBondContact O-CB 3.24Å; A356-A360 PolarHBondContact O-N 3.14Å; A356-A360 VanDerWaalsContact O-N 3.11Å |
| 357 | Y | 95.9 | Very high | 94 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -82.5 | -26.8 | -179.8 | -50.8 | -86.3 | 0 | 0 | 0 | 112.1 | K300 F333 E353 T354 V355 H361 | K300-Y357 VanDerWaalsContact CA-CE1 3.49Å; K300-Y357 HydrophobicContact CB-CE1 4.03Å; K300-Y357 HydrophobicContact CG-CE1 4.41Å; K300-Y357 VanDerWaalsContact O-CD1 3.32Å; K300-Y357 WeakPolarHBondContact O-CD1 3.43Å; K300-Y357 VanDerWaalsContact O-CE1 3.24Å; K300-Y357 WeakPolarHBondContact O-CE1 3.48Å; F333-Y357 AromaticContact CE2-CD2 3.47Å; F333-Y357 HydrophobicContact CE2-CD2 3.47Å; F333-Y357 VanDerWaalsContact CE2-CD2 3.47Å; F333-Y357 HydrophobicContact CE2-CE2 4.1Å; F333-Y357 AromaticContact CE2-CG 3.71Å; F333-Y357 HydrophobicContact CE2-CG 3.71Å; F333-Y357 HydrophobicContact CZ-CD1 4.16Å; F333-Y357 AromaticContact CZ-CD2 3.85Å; F333-Y357 HydrophobicContact CZ-CD2 3.85Å; F333-Y357 HydrophobicContact CZ-CE2 4.28Å; F333-Y357 AromaticContact CZ-CG 3.76Å; F333-Y357 HydrophobicContact CZ-CG 3.76Å; E353-Y357 WeakPolarHBondContact O-CD2 3.22Å; E353-Y357 WeakPolarHBondContact O-CE2 3.49Å; T354-Y357 PolarHBondContact O-N 3.41Å; T354-Y357 VanDerWaalsContact O-N 3.08Å; V355-Y357 PolarHBondContact O-N 2.99Å; V355-Y357 VanDerWaalsContact O-N 3.15Å; Y357-H361 WeakPolarHBondContact O-CB 3.28Å; Y357-H361 PolarHBondContact O-N 3.32Å; Y357-H361 VanDerWaalsContact O-N 3.17Å |
| 358 | F | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.4 | -47 | 170.3 | -177.6 | -82 | 0 | 0 | 0 | 111.2 | P331 T354 V355 H361 F362 Y391 Q394 V395 F398 | P331-F358 HydrophobicContact CB-CD2 4.11Å; P331-F358 HydrophobicContact CG-CD2 3.82Å; P331-F358 HydrophobicContact CG-CE2 3.74Å; T354-F358 PolarHBondContact O-N 2.93Å; V355-F358 WeakPolarHBondContact O-CA 3.46Å; V355-F358 WeakPolarHBondContact O-CB 3.31Å; V355-F358 PolarHBondContact O-N 2.77Å; F358-H361 WeakPolarHBondContact O-CB 3.48Å; F358-H361 PolarHBondContact O-N 3.41Å; F358-F362 AromaticContact CD1-CD2 3.85Å; F358-F362 HydrophobicContact CD1-CD2 3.85Å; F358-F362 HydrophobicContact CD1-CE2 4.32Å; F358-F362 HydrophobicContact CD2-CD2 4.33Å; F358-F362 HydrophobicContact CD2-CE2 4.1Å; F358-F362 AromaticContact CE1-CD2 3.46Å; F358-F362 HydrophobicContact CE1-CD2 3.46Å; F358-F362 VanDerWaalsContact CE1-CD2 3.46Å; F358-F362 AromaticContact CE1-CE2 3.72Å; F358-F362 HydrophobicContact CE1-CE2 3.72Å; F358-F362 HydrophobicContact CE1-CG 4.45Å; F358-F362 HydrophobicContact CE2-CD2 4.01Å; F358-F362 AromaticContact CE2-CE2 3.49Å; F358-F362 HydrophobicContact CE2-CE2 3.49Å; F358-F362 VanDerWaalsContact CE2-CE2 3.49Å; F358-F362 HydrophobicContact CG-CD2 4.26Å; F358-F362 HydrophobicContact CG-CE2 4.49Å; F358-F362 AromaticContact CZ-CD2 3.56Å; F358-F362 HydrophobicContact CZ-CD2 3.56Å; F358-F362 AromaticContact CZ-CE2 3.26Å; F358-F362 HydrophobicContact CZ-CE2 3.26Å; F358-F362 HydrophobicContact CZ-CZ 4.25Å; F358-F362 WeakPolarHBondContact O-CD2 3.07Å; F358-F362 PolarHBondContact O-N 3.28Å; F358-Y391 AromaticContact CE2-CD2 3.86Å; F358-Y391 HydrophobicContact CE2-CD2 3.86Å; F358-Y391 AromaticContact CE2-CE2 3.89Å; F358-Y391 HydrophobicContact CE2-CE2 3.89Å; F358-Y391 HydrophobicContact CZ-CD2 4.44Å; F358-Y391 HydrophobicContact CZ-CE2 4.3Å; F358-Q394 HydrophobicContact CD1-CB 4.08Å; F358-Q394 HydrophobicContact CD2-CB 3.4Å; F358-Q394 HydrophobicContact CD2-CG 4.14Å; F358-Q394 HydrophobicContact CE1-CB 4.07Å; F358-Q394 VanDerWaalsContact CE1-O 3.25Å; F358-Q394 WeakPolarHBondContact CE1-O 3.45Å; F358-Q394 HydrophobicContact CE2-CB 3.35Å; F358-Q394 HydrophobicContact CE2-CG 4.44Å; F358-Q394 HydrophobicContact CG-CB 3.77Å; F358-Q394 VanDerWaalsContact CZ-C 3.48Å; F358-Q394 HydrophobicContact CZ-CB 3.71Å; F358-V395 HydrophobicContact CZ-CB 4.46Å; F358-V395 HydrophobicContact CZ-CG2 3.79Å; F358-F398 HydrophobicContact CD1-CB 4.11Å; F358-F398 HydrophobicContact CD1-CG 4.44Å; F358-F398 HydrophobicContact CE1-CB 3.72Å; F358-F398 HydrophobicContact CE1-CD1 4.41Å; F358-F398 HydrophobicContact CE1-CG 4.14Å |
| 359 | C | 95.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -55.1 | 175.1 | -61 | 0 | 0 | 0 | 0 | 110.5 | V355 H361 F362 E363 F398 | V355-C359 PolarHBondContact O-N 3.35Å; V355-C359 PolarHBondContact O-SG 3.07Å; C359-H361 PolarHBondContact O-N 2.93Å; C359-H361 VanDerWaalsContact O-N 3.17Å; C359-F362 PolarHBondContact O-N 3.43Å; C359-E363 WeakPolarHBondContact CB-OE1 3.43Å; C359-E363 WeakPolarHBondContact O-CB 3.46Å; C359-E363 VanDerWaalsContact O-CG 3.28Å; C359-E363 WeakPolarHBondContact O-CG 3.47Å; C359-E363 PolarHBondContact O-N 3.36Å; C359-F398 HydrophobicContact CB-CD2 4.09Å; C359-F398 HydrophobicContact CB-CE2 4.06Å |
| 360 | A | 96.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 56 Ų | 56 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.8 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A356 E364 | A356-A360 WeakPolarHBondContact O-CB 3.24Å; A356-A360 PolarHBondContact O-N 3.14Å; A356-A360 VanDerWaalsContact O-N 3.11Å; A360-E364 PolarHBondContact O-N 3.13Å; A360-E364 VanDerWaalsContact O-N 3.16Å |
| 361 | H | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -51 | 173.7 | -178 | 63.1 | 0 | 0 | 0 | 112.2 | G302 P331 Y357 F358 C359 E364 Q365 R455 | G302-H361 VanDerWaalsContact O-CB 3.3Å; G302-H361 WeakPolarHBondContact O-CB 3.3Å; G302-H361 PolarHBondContact O-ND1 3.41Å; P331-H361 HydrophobicContact CB-CB 4.45Å; Y357-H361 WeakPolarHBondContact O-CB 3.28Å; Y357-H361 PolarHBondContact O-N 3.32Å; Y357-H361 VanDerWaalsContact O-N 3.17Å; F358-H361 WeakPolarHBondContact O-CB 3.48Å; F358-H361 PolarHBondContact O-N 3.41Å; C359-H361 PolarHBondContact O-N 2.93Å; C359-H361 VanDerWaalsContact O-N 3.17Å; H361-E364 PolarHBondContact O-N 3.21Å; H361-Q365 VanDerWaalsContact O-CG 3.25Å; H361-Q365 WeakPolarHBondContact O-CG 3.25Å; H361-Q365 PolarHBondContact O-N 3.13Å; H361-Q365 VanDerWaalsContact O-N 3.13Å; H361-R455 PolarHBondContact NE2-NH1 3.22Å; H361-R455 PolarHBondContact NE2-NH2 2.96Å |
| 362 | F | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.3 | -27.8 | -177.8 | -82.4 | -77.4 | 0 | 0 | 0 | 113.8 | P331 F358 C359 Q365 L366 Q372 I374 Y391 F398 L403 | P331-F362 HydrophobicContact CB-CE2 4.41Å; P331-F362 HydrophobicContact CG-CD2 4.43Å; P331-F362 HydrophobicContact CG-CE2 3.48Å; P331-F362 VanDerWaalsContact CG-CE2 3.48Å; P331-F362 HydrophobicContact CG-CZ 4.05Å; F358-F362 AromaticContact CD1-CD2 3.85Å; F358-F362 HydrophobicContact CD1-CD2 3.85Å; F358-F362 HydrophobicContact CD1-CE2 4.32Å; F358-F362 HydrophobicContact CD2-CD2 4.33Å; F358-F362 HydrophobicContact CD2-CE2 4.1Å; F358-F362 AromaticContact CE1-CD2 3.46Å; F358-F362 HydrophobicContact CE1-CD2 3.46Å; F358-F362 VanDerWaalsContact CE1-CD2 3.46Å; F358-F362 AromaticContact CE1-CE2 3.72Å; F358-F362 HydrophobicContact CE1-CE2 3.72Å; F358-F362 HydrophobicContact CE1-CG 4.45Å; F358-F362 HydrophobicContact CE2-CD2 4.01Å; F358-F362 AromaticContact CE2-CE2 3.49Å; F358-F362 HydrophobicContact CE2-CE2 3.49Å; F358-F362 VanDerWaalsContact CE2-CE2 3.49Å; F358-F362 HydrophobicContact CG-CD2 4.26Å; F358-F362 HydrophobicContact CG-CE2 4.49Å; F358-F362 AromaticContact CZ-CD2 3.56Å; F358-F362 HydrophobicContact CZ-CD2 3.56Å; F358-F362 AromaticContact CZ-CE2 3.26Å; F358-F362 HydrophobicContact CZ-CE2 3.26Å; F358-F362 HydrophobicContact CZ-CZ 4.25Å; F358-F362 WeakPolarHBondContact O-CD2 3.07Å; F358-F362 PolarHBondContact O-N 3.28Å; C359-F362 PolarHBondContact O-N 3.43Å; F362-Q365 PolarHBondContact O-N 3.44Å; F362-L366 WeakPolarHBondContact O-CB 3.31Å; F362-L366 VanDerWaalsContact O-CG 3.24Å; F362-L366 WeakPolarHBondContact O-CG 3.44Å; F362-L366 PolarHBondContact O-N 3.39Å; F362-Q372 VanDerWaalsContact CE1-OE1 3.24Å; F362-I374 HydrophobicContact CE1-CD1 3.98Å; F362-I374 HydrophobicContact CE1-CG1 4.21Å; F362-I374 HydrophobicContact CZ-CD1 3.77Å; F362-I374 HydrophobicContact CZ-CG1 4.28Å; F362-Y391 HydrophobicContact CE2-CE2 4.19Å; F362-Y391 HydrophobicContact CZ-CE2 4.04Å; F362-F398 HydrophobicContact CB-CD1 4.23Å; F362-F398 HydrophobicContact CB-CE1 3.6Å; F362-F398 HydrophobicContact CB-CZ 3.77Å; F362-F398 HydrophobicContact CG-CE1 4.42Å; F362-L403 HydrophobicContact CD1-CD1 3.64Å; F362-L403 HydrophobicContact CD1-CD2 3.99Å; F362-L403 HydrophobicContact CE1-CD1 3.54Å; F362-L403 HydrophobicContact CE1-CD2 4.12Å; F362-L403 HydrophobicContact CG-CD2 4.25Å; F362-L403 HydrophobicContact CZ-CD1 4.48Å |
| 363 | E | 95.8 | Very high | 95.1 | Very high | 99 Ų | 99 | 43.5 Ų | 43.5 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.8 | -45 | 170.4 | -73 | 159.8 | -162 | 0 | 0 | 110.9 | C359 Q365 L366 N367 F398 | C359-E363 WeakPolarHBondContact CB-OE1 3.43Å; C359-E363 WeakPolarHBondContact O-CB 3.46Å; C359-E363 VanDerWaalsContact O-CG 3.28Å; C359-E363 WeakPolarHBondContact O-CG 3.47Å; C359-E363 PolarHBondContact O-N 3.36Å; E363-Q365 PolarHBondContact O-N 3.29Å; E363-L366 PolarHBondContact O-N 2.8Å; E363-N367 VanDerWaalsContact O-CB 3.25Å; E363-N367 WeakPolarHBondContact O-CB 3.46Å; E363-N367 PolarHBondContact O-N 2.88Å; E363-N367 PolarHBondContact O-ND2 3.23Å; E363-F398 HydrophobicContact CG-CE2 4.21Å; E363-F398 HydrophobicContact CG-CZ 4.24Å |
| 364 | E | 95.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 38.7 Ų | 38.7 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 171.6 | -170.3 | -127.6 | -165.5 | 0 | 0 | 111.2 | R208 A360 H361 N367 I368 | R208-E364 WeakPolarHBondContact CD-OE1 3.42Å; R208-E364 IonicContact NH1-OE1 3.79Å; A360-E364 PolarHBondContact O-N 3.13Å; A360-E364 VanDerWaalsContact O-N 3.16Å; H361-E364 PolarHBondContact O-N 3.21Å; E364-N367 PolarHBondContact O-N 2.92Å; E364-I368 HydrophobicContact CG-CD1 3.92Å; E364-I368 VanDerWaalsContact O-CG1 3.29Å; E364-I368 WeakPolarHBondContact O-CG1 3.33Å; E364-I368 PolarHBondContact O-N 2.73Å; E364-I368 VanDerWaalsContact O-N 3.09Å |
| 365 | Q | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 180 | -64.5 | -66.4 | -72.6 | 0 | 0 | 112.9 | Y307 H361 F362 E363 I368 Y369 | Y307-Q365 VanDerWaalsContact CE2-OE1 3.32Å; Y307-Q365 VanDerWaalsContact OH-CD 3.28Å; Y307-Q365 PolarHBondContact OH-NE2 3.03Å; Y307-Q365 PolarHBondContact OH-OE1 3.45Å; H361-Q365 VanDerWaalsContact O-CG 3.25Å; H361-Q365 WeakPolarHBondContact O-CG 3.25Å; H361-Q365 PolarHBondContact O-N 3.13Å; H361-Q365 VanDerWaalsContact O-N 3.13Å; F362-Q365 PolarHBondContact O-N 3.44Å; E363-Q365 PolarHBondContact O-N 3.29Å; Q365-I368 PolarHBondContact O-N 3.12Å; Q365-Y369 WeakPolarHBondContact O-CB 3.43Å; Q365-Y369 VanDerWaalsContact O-CD2 3.23Å; Q365-Y369 WeakPolarHBondContact O-CD2 3.13Å; Q365-Y369 PolarHBondContact O-N 3.5Å |
| 366 | L | 95.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 9% | 0.094 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.2 | -31.7 | 179.6 | -65 | 172.9 | 0 | 0 | 0 | 111.5 | F362 E363 I368 K370 Q372 F398 H402 | F362-L366 WeakPolarHBondContact O-CB 3.31Å; F362-L366 VanDerWaalsContact O-CG 3.24Å; F362-L366 WeakPolarHBondContact O-CG 3.44Å; F362-L366 PolarHBondContact O-N 3.39Å; E363-L366 PolarHBondContact O-N 2.8Å; L366-I368 PolarHBondContact O-N 2.7Å; L366-K370 WeakPolarHBondContact CD2-O 3.28Å; L366-K370 WeakPolarHBondContact O-CA 3.29Å; L366-K370 PolarHBondContact O-N 2.9Å; L366-Q372 HydrophobicContact CD2-CB 4.13Å; L366-F398 HydrophobicContact CD1-CE1 3.96Å; L366-F398 HydrophobicContact CD1-CZ 4.23Å; L366-H402 HydrophobicContact CD1-CB 4.38Å; L366-H402 HydrophobicContact CD2-CB 3.87Å |
| 367 | N | 94.8 | Very high | 94.9 | Very high | 114 Ų | 114 | 33.1 Ų | 33.1 | 61% | 0.61 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.5 | -44.6 | 171.3 | -79.6 | -38.6 | 0 | 0 | 0 | 111.9 | E363 E364 K370 | E363-N367 VanDerWaalsContact O-CB 3.25Å; E363-N367 WeakPolarHBondContact O-CB 3.46Å; E363-N367 PolarHBondContact O-N 2.88Å; E363-N367 PolarHBondContact O-ND2 3.23Å; E364-N367 PolarHBondContact O-N 2.92Å; N367-K370 PolarHBondContact O-NZ 3.32Å |
| 368 | I | 93.7 | Very high | 94.3 | Very high | 63 Ų | 63 | 29.9 Ų | 29.9 | 32% | 0.323 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -77.3 | -42.1 | -177.5 | -62.8 | 170.4 | 0 | 0 | 0 | 112.3 | E364 Q365 L366 | E364-I368 HydrophobicContact CG-CD1 3.92Å; E364-I368 VanDerWaalsContact O-CG1 3.29Å; E364-I368 WeakPolarHBondContact O-CG1 3.33Å; E364-I368 PolarHBondContact O-N 2.73Å; E364-I368 VanDerWaalsContact O-N 3.09Å; Q365-I368 PolarHBondContact O-N 3.12Å; L366-I368 PolarHBondContact O-N 2.7Å |
| 369 | Y | 94.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 7% | 0.071 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -115.6 | 0.7 | -169 | -52.8 | -77.3 | 0 | 0 | 0 | 115.4 | R208 Y307 E309 V324 Q365 K371 G452 I453 | R208-Y369 PolarHBondContact NH1-OH 2.91Å; R208-Y369 PolarHBondContact NH2-OH 3.02Å; Y307-Y369 VanDerWaalsContact OH-CE2 3.24Å; Y307-Y369 WeakPolarHBondContact OH-CE2 3.37Å; Y307-Y369 PolarHBondContact OH-OH 2.78Å; E309-Y369 VanDerWaalsContact OE2-CE1 3.27Å; E309-Y369 WeakPolarHBondContact OE2-CE1 3.43Å; E309-Y369 VanDerWaalsContact OE2-CZ 3.32Å; E309-Y369 PolarHBondContact OE2-OH 3.2Å; V324-Y369 HydrophobicContact CG1-CE1 4.34Å; Q365-Y369 WeakPolarHBondContact O-CB 3.43Å; Q365-Y369 VanDerWaalsContact O-CD2 3.23Å; Q365-Y369 WeakPolarHBondContact O-CD2 3.13Å; Q365-Y369 PolarHBondContact O-N 3.5Å; Y369-K371 VanDerWaalsContact C-N 3.26Å; Y369-K371 PolarHBondContact O-N 2.73Å; Y369-G452 WeakPolarHBondContact O-CA 3.05Å; Y369-I453 HydrophobicContact CD1-CD1 3.71Å; Y369-I453 HydrophobicContact CD1-CG1 4.26Å; Y369-I453 HydrophobicContact CD1-CG2 3.74Å; Y369-I453 HydrophobicContact CD2-CD1 3.5Å; Y369-I453 VanDerWaalsContact CD2-CD1 3.5Å; Y369-I453 HydrophobicContact CD2-CG1 4.33Å; Y369-I453 HydrophobicContact CE1-CD1 4.12Å; Y369-I453 HydrophobicContact CE2-CD1 3.96Å; Y369-I453 HydrophobicContact CG-CD1 3.39Å; Y369-I453 HydrophobicContact CG-CG1 3.86Å; Y369-I453 HydrophobicContact CG-CG2 4.13Å |
| 370 | K | 91.7 | Very high | 92.7 | Very high | 123 Ų | 123 | 33.1 Ų | 33.1 | 54% | 0.535 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 64.5 | -59.8 | -179.8 | -51.6 | -48.9 | 179.1 | -159.8 | 0 | 115.9 | L366 N367 H402 | L366-K370 WeakPolarHBondContact CD2-O 3.28Å; L366-K370 WeakPolarHBondContact O-CA 3.29Å; L366-K370 PolarHBondContact O-N 2.9Å; N367-K370 PolarHBondContact O-NZ 3.32Å; K370-H402 WeakPolarHBondContact O-CB 3.4Å |
| 371 | K | 95 | Very high | 91.5 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.8 | 178.2 | -172.8 | 176.6 | -178.8 | -178.8 | 0 | 110 | Y369 H402 D435 M436 E451 G452 I453 | Y369-K371 VanDerWaalsContact C-N 3.26Å; Y369-K371 PolarHBondContact O-N 2.73Å; K371-H402 WeakPolarHBondContact CA-O 3.41Å; K371-D435 IonicContact NZ-OD2 3.96Å; K371-D435 PolarHBondContact NZ-OD2 3.14Å; K371-M436 HydrophobicContact CD-CE 3.72Å; K371-M436 HydrophobicContact CG-CE 4.21Å; K371-E451 WeakPolarHBondContact CB-O 3.33Å; K371-E451 PolarHBondContact N-O 2.78Å; K371-G452 CarbonylContact O-C 3.58Å; K371-G452 WeakPolarHBondContact O-CA 3.45Å; K371-I453 PolarHBondContact O-N 3.21Å |
| 372 | Q | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.2 | 178.5 | -174.3 | 160.2 | 117.6 | 0 | 0 | 111.6 | F362 L366 H402 L403 T404 I453 R455 | F362-Q372 VanDerWaalsContact CE1-OE1 3.24Å; L366-Q372 HydrophobicContact CD2-CB 4.13Å; Q372-H402 PolarHBondContact N-O 3.23Å; Q372-L403 HydrophobicContact CB-CD1 4.03Å; Q372-L403 HydrophobicContact CG-CD1 4.34Å; Q372-L403 WeakPolarHBondContact O-CA 3.38Å; Q372-T404 PolarHBondContact O-N 3.15Å; Q372-I453 WeakPolarHBondContact CA-O 3.23Å; Q372-I453 HydrophobicContact CG-CG1 4.32Å; Q372-R455 HydrophobicContact CG-CB 3.72Å; Q372-R455 VanDerWaalsContact OE1-CD 3.3Å |
| 373 | V | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.2 | 172.4 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | I375 T404 V406 I432 M436 I453 F454 R455 | V373-I375 HydrophobicContact CG1-CG1 4.49Å; V373-I375 PolarHBondContact O-N 2.89Å; V373-T404 HydrophobicContact CG1-CG2 4.37Å; V373-V406 HydrophobicContact CG1-CG2 3.79Å; V373-I432 HydrophobicContact CG2-CG2 3.86Å; V373-M436 HydrophobicContact CG2-CE 3.66Å; V373-M436 HydrophobicContact CG2-SD 4.13Å; V373-I453 PolarHBondContact N-O 3.42Å; V373-F454 HydrophobicContact CB-CD1 3.7Å; V373-F454 HydrophobicContact CB-CE1 3.88Å; V373-F454 HydrophobicContact CG1-CD1 3.88Å; V373-F454 HydrophobicContact CG1-CE1 3.88Å; V373-F454 HydrophobicContact CG2-CD1 4.4Å; V373-F454 HydrophobicContact CG2-CE1 4.16Å; V373-F454 WeakPolarHBondContact O-CA 3.41Å; V373-R455 PolarHBondContact O-N 3.19Å |
| 374 | I | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 124.2 | 171.3 | -59.9 | 163.4 | 0 | 0 | 0 | 108 | F362 N376 Y391 V395 L403 T404 Y405 V406 R455 | F362-I374 HydrophobicContact CE1-CD1 3.98Å; F362-I374 HydrophobicContact CE1-CG1 4.21Å; F362-I374 HydrophobicContact CZ-CD1 3.77Å; F362-I374 HydrophobicContact CZ-CG1 4.28Å; I374-N376 HydrophobicContact CG2-CB 4.35Å; I374-Y391 HydrophobicContact CD1-CE2 4.08Å; I374-Y391 WeakPolarHBondContact CD1-OH 3.18Å; I374-Y391 WeakPolarHBondContact CG1-OH 3.33Å; I374-Y391 HydrophobicContact CG2-CE1 3.5Å; I374-Y391 VanDerWaalsContact CG2-CE1 3.5Å; I374-Y391 VanDerWaalsContact CG2-OH 3.28Å; I374-Y391 WeakPolarHBondContact CG2-OH 3.23Å; I374-V395 HydrophobicContact CD1-CG2 3.69Å; I374-L403 HydrophobicContact CD1-CD1 3.78Å; I374-L403 HydrophobicContact CD1-CD2 4.11Å; I374-L403 HydrophobicContact CD1-CG 4.04Å; I374-L403 HydrophobicContact CG1-CD1 3.98Å; I374-T404 PolarHBondContact N-O 3.17Å; I374-Y405 HydrophobicContact CB-CD2 4.07Å; I374-Y405 HydrophobicContact CD1-CD2 4.08Å; I374-Y405 HydrophobicContact CG2-CD2 3.73Å; I374-Y405 HydrophobicContact CG2-CE2 4.08Å; I374-V406 PolarHBondContact O-N 3.06Å; I374-R455 WeakPolarHBondContact CA-O 3.17Å |
| 375 | I | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.4 | 165.1 | -59.7 | 176.9 | 0 | 0 | 0 | 107.1 | V373 L377 V406 L425 I429 F454 R455 V456 N457 V468 I472 | V373-I375 HydrophobicContact CG1-CG1 4.49Å; V373-I375 PolarHBondContact O-N 2.89Å; I375-L377 HydrophobicContact CG2-CD2 3.75Å; I375-L377 HydrophobicContact CG2-CG 4.39Å; I375-V406 HydrophobicContact CG1-CB 4.4Å; I375-L425 HydrophobicContact CG2-CD2 4.07Å; I375-I429 HydrophobicContact CD1-CD1 3.69Å; I375-F454 HydrophobicContact CD1-CB 4.5Å; I375-F454 HydrophobicContact CD1-CD1 3.71Å; I375-F454 HydrophobicContact CD1-CE1 4.4Å; I375-F454 HydrophobicContact CD1-CG 4.41Å; I375-F454 HydrophobicContact CG1-CD1 4.26Å; I375-R455 PolarHBondContact N-O 3.34Å; I375-V456 HydrophobicContact CB-CG2 4.49Å; I375-N457 PolarHBondContact O-N 3.22Å; I375-V468 HydrophobicContact CD1-CG1 4.41Å; I375-V468 HydrophobicContact CG2-CG1 4.36Å; I375-I472 HydrophobicContact CD1-CD1 3.48Å; I375-I472 VanDerWaalsContact CD1-CD1 3.48Å |
| 376 | N | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.4 | -177.2 | -164.6 | 24.6 | 0 | 0 | 0 | 111.2 | I374 V378 Y391 Y405 V406 F408 | I374-N376 HydrophobicContact CG2-CB 4.35Å; N376-V378 PolarHBondContact O-N 3.05Å; N376-V378 WeakPolarHBondContact OD1-CG2 3.44Å; N376-Y391 HydrophobicContact CB-CE1 4.49Å; N376-Y405 HydrophobicContact CB-CE2 3.88Å; N376-Y405 PolarHBondContact ND2-OH 3.19Å; N376-V406 PolarHBondContact N-O 3.36Å; N376-F408 PolarHBondContact O-N 3.35Å |
| 377 | L | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -90.3 | 26.7 | -178.1 | -51.9 | 178.3 | 0 | 0 | 0 | 112.9 | I375 F408 F410 V456 N457 C458 R464 T465 V468 | I375-L377 HydrophobicContact CG2-CD2 3.75Å; I375-L377 HydrophobicContact CG2-CG 4.39Å; L377-F408 HydrophobicContact CD2-CB 4.34Å; L377-F408 HydrophobicContact CD2-CD1 3.88Å; L377-F410 HydrophobicContact CB-CB 4.44Å; L377-F410 HydrophobicContact CD2-CD2 4.46Å; L377-V456 HydrophobicContact CD1-CG1 3.61Å; L377-V456 HydrophobicContact CG-CG1 4.11Å; L377-N457 WeakPolarHBondContact CB-O 3.18Å; L377-N457 PolarHBondContact N-O 3.03Å; L377-C458 HydrophobicContact CB-CB 4.42Å; L377-R464 HydrophobicContact CD1-CB 4.07Å; L377-R464 PolarHBondContact O-NH1 2.82Å; L377-T465 HydrophobicContact CD1-CG2 4.48Å; L377-V468 HydrophobicContact CD1-CB 4.1Å; L377-V468 HydrophobicContact CD1-CG2 3.67Å; L377-V468 HydrophobicContact CD2-CG2 3.97Å; L377-V468 HydrophobicContact CG-CG2 4.48Å | ||
| 378 | V | 83.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -81 | 136.8 | -175.8 | 157.6 | 0 | 0 | 0 | 0 | 110.6 | N376 Q380 E384 M459 | N376-V378 PolarHBondContact O-N 3.05Å; N376-V378 WeakPolarHBondContact OD1-CG2 3.44Å; V378-Q380 PolarHBondContact O-N 2.69Å; V378-Q380 PolarHBondContact O-NE2 2.72Å; V378-E384 HydrophobicContact CG1-CB 3.75Å; V378-M459 HydrophobicContact CG2-CB 4.17Å | ||
| 379 | D | 79.6 | Confident | 88.2 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | trans | -58.9 | 113.9 | 171.6 | 161.1 | 30.2 | 0 | 0 | 0 | 111.1 | A381 G382 R383 E384 K385 D409 | D379-A381 WeakPolarHBondContact OD1-CA 3.32Å; D379-A381 PolarHBondContact OD1-N 3.34Å; D379-G382 PolarHBondContact OD1-N 3.36Å; D379-G382 VanDerWaalsContact OD1-N 3.14Å; D379-G382 VanDerWaalsContact OD2-CA 3.23Å; D379-G382 WeakPolarHBondContact OD2-CA 3.46Å; D379-R383 PolarHBondContact OD2-N 2.69Å; D379-E384 HydrophobicContact CB-CB 3.92Å; D379-E384 HydrophobicContact CB-CG 3.86Å; D379-E384 PolarHBondContact N-OE2 3.27Å; D379-K385 PolarHBondContact O-N 2.83Å; D379-D409 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 380 | Q | 77.3 | Confident | 88.2 | Confident | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -78.2 | -23.5 | 179.8 | -54.1 | -61 | -76.6 | 0 | 0 | 111.9 | V378 K385 S407 D409 | V378-Q380 PolarHBondContact O-N 2.69Å; V378-Q380 PolarHBondContact O-NE2 2.72Å; Q380-K385 VanDerWaalsContact O-CD 3.26Å; Q380-K385 WeakPolarHBondContact O-CD 3.49Å; Q380-K385 WeakPolarHBondContact O-CG 3.31Å; Q380-S407 PolarHBondContact NE2-OG 3.01Å; Q380-S407 PolarHBondContact OE1-OG 3.44Å; Q380-D409 HydrophobicContact CG-CB 4.16Å; Q380-D409 PolarHBondContact N-OD2 2.9Å |
| 381 | A | 70.9 | Confident | 88.3 | Confident | 95 Ų | 95 | 31.2 Ų | 31.2 | 79% | 0.785 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -113.7 | 36.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D379 | D379-A381 WeakPolarHBondContact OD1-CA 3.32Å; D379-A381 PolarHBondContact OD1-N 3.34Å |
| 382 | G | 78.1 | Confident | 88.2 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 38% | 0.381 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -171.5 | -146.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D379 E384 K385 | D379-G382 PolarHBondContact OD1-N 3.36Å; D379-G382 VanDerWaalsContact OD1-N 3.14Å; D379-G382 VanDerWaalsContact OD2-CA 3.23Å; D379-G382 WeakPolarHBondContact OD2-CA 3.46Å; G382-E384 VanDerWaalsContact C-N 3.29Å; G382-E384 PolarHBondContact O-N 2.98Å; G382-K385 VanDerWaalsContact O-CB 3.27Å; G382-K385 WeakPolarHBondContact O-CB 3.46Å; G382-K385 PolarHBondContact O-N 2.98Å |
| 383 | R | 79.6 | Confident | 88.2 | Confident | 114 Ų | 114 | 35.4 Ų | 35.4 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.5 | -168.7 | -65.3 | -179.7 | -62.8 | 119.7 | 8.8 | 113.3 | N342 P345 D379 | N342-R383 VanDerWaalsContact CG-NH1 3.34Å; N342-R383 PolarHBondContact ND2-NH2 3.35Å; N342-R383 VanDerWaalsContact ND2-NH2 3.17Å; N342-R383 PolarHBondContact OD1-NH1 3.03Å; P345-R383 WeakPolarHBondContact CG-O 3.49Å; D379-R383 PolarHBondContact OD2-N 2.69Å |
| 384 | E | 84.2 | Confident | 88.1 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.5 | 175.7 | -46 | -169.6 | 153.8 | 0 | 0 | 112.3 | V378 D379 G382 I386 I387 G388 M459 R464 | V378-E384 HydrophobicContact CG1-CB 3.75Å; D379-E384 HydrophobicContact CB-CB 3.92Å; D379-E384 HydrophobicContact CB-CG 3.86Å; D379-E384 PolarHBondContact N-OE2 3.27Å; G382-E384 VanDerWaalsContact C-N 3.29Å; G382-E384 PolarHBondContact O-N 2.98Å; E384-I386 VanDerWaalsContact C-N 3.31Å; E384-I386 PolarHBondContact O-N 3.43Å; E384-I387 PolarHBondContact O-N 2.9Å; E384-G388 PolarHBondContact O-N 3.28Å; E384-G388 VanDerWaalsContact O-N 3.17Å; E384-M459 VanDerWaalsContact CA-SD 3.6Å; E384-M459 HydrophobicContact CB-CB 4.08Å; E384-M459 HydrophobicContact CB-CE 4.45Å; E384-M459 HydrophobicContact CB-CG 4.49Å; E384-M459 HydrophobicContact CB-SD 3.69Å; E384-M459 HydrophobicContact CG-CB 4.04Å; E384-M459 HydrophobicContact CG-CE 3.9Å; E384-M459 HydrophobicContact CG-CG 4.49Å; E384-M459 HydrophobicContact CG-SD 3.77Å; E384-R464 IonicContact OE1-CZ 2.82Å; E384-R464 IonicContact OE1-NH1 2.68Å; E384-R464 IonicContact OE1-NH2 2.69Å; E384-R464 PolarHBondContact OE1-NH2 2.98Å; E384-R464 IonicContact OE2-CZ 3.55Å; E384-R464 IonicContact OE2-NH1 3.35Å; E384-R464 PolarHBondContact OE2-NH1 2.88Å; E384-R464 IonicContact OE2-NH2 2.83Å; E384-R464 PolarHBondContact OE2-NH2 3.15Å |
| 385 | K | 87.6 | Confident | 88.1 | Confident | 87 Ų | 87 | 35.6 Ų | 35.6 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -52.2 | -40.8 | -176.2 | -165.3 | -168.5 | -168 | -56.4 | 0 | 113.9 | D379 Q380 G382 I387 G388 D389 | D379-K385 PolarHBondContact O-N 2.83Å; Q380-K385 VanDerWaalsContact O-CD 3.26Å; Q380-K385 WeakPolarHBondContact O-CD 3.49Å; Q380-K385 WeakPolarHBondContact O-CG 3.31Å; G382-K385 VanDerWaalsContact O-CB 3.27Å; G382-K385 WeakPolarHBondContact O-CB 3.46Å; G382-K385 PolarHBondContact O-N 2.98Å; K385-I387 PolarHBondContact O-N 2.98Å; K385-I387 VanDerWaalsContact O-N 3.15Å; K385-G388 CarbonylContact O-C 3.57Å; K385-G388 WeakPolarHBondContact O-CA 3.47Å; K385-G388 PolarHBondContact O-N 2.93Å; K385-D389 IonicContact NZ-OD1 2.79Å; K385-D389 PolarHBondContact NZ-OD1 3.25Å; K385-D389 IonicContact NZ-OD2 2.71Å; K385-D389 PolarHBondContact NZ-OD2 2.88Å; K385-D389 WeakPolarHBondContact O-CB 3.39Å; K385-D389 VanDerWaalsContact O-CG 3.31Å; K385-D389 PolarHBondContact O-N 2.92Å |
| 386 | I | 91.4 | Very high | 88.1 | Confident | 78 Ų | 78 | 38.4 Ų | 38.4 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.3 | -30.9 | 177.6 | -172.5 | 173.5 | 0 | 0 | 0 | 113.2 | P345 L347 E384 A390 | P345-I386 HydrophobicContact CB-CG2 4.32Å; P345-I386 HydrophobicContact CG-CG2 3.68Å; L347-I386 HydrophobicContact CG-CG1 4.43Å; E384-I386 VanDerWaalsContact C-N 3.31Å; E384-I386 PolarHBondContact O-N 3.43Å; I386-A390 VanDerWaalsContact O-CB 3.31Å; I386-A390 WeakPolarHBondContact O-CB 3.25Å; I386-A390 PolarHBondContact O-N 3.01Å |
| 387 | I | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -86.1 | -32.3 | 175.3 | -55 | -53.7 | 0 | 0 | 0 | 111 | V330 W334 P345 L347 E384 K385 Y391 M459 | V330-I387 HydrophobicContact CB-CG2 3.87Å; V330-I387 HydrophobicContact CG1-CG2 3.87Å; V330-I387 HydrophobicContact CG2-CG2 3.89Å; W334-I387 HydrophobicContact CB-CD1 3.7Å; W334-I387 HydrophobicContact CD2-CD1 3.84Å; W334-I387 HydrophobicContact CD2-CG1 4.17Å; W334-I387 HydrophobicContact CD2-CG2 4.36Å; W334-I387 HydrophobicContact CE3-CD1 3.82Å; W334-I387 HydrophobicContact CE3-CG1 3.92Å; W334-I387 HydrophobicContact CG-CD1 3.83Å; W334-I387 HydrophobicContact CZ2-CG2 4.35Å; W334-I387 HydrophobicContact CZ3-CG1 4.19Å; P345-I387 HydrophobicContact CB-CD1 4.07Å; P345-I387 HydrophobicContact CB-CG1 3.81Å; P345-I387 HydrophobicContact CG-CG1 4.25Å; L347-I387 HydrophobicContact CD2-CD1 3.74Å; E384-I387 PolarHBondContact O-N 2.9Å; K385-I387 PolarHBondContact O-N 2.98Å; K385-I387 VanDerWaalsContact O-N 3.15Å; I387-Y391 VanDerWaalsContact O-CB 3.31Å; I387-Y391 WeakPolarHBondContact O-CB 3.17Å; I387-Y391 PolarHBondContact O-N 2.86Å; I387-M459 HydrophobicContact CB-SD 4.4Å; I387-M459 HydrophobicContact CG1-CG 4.49Å; I387-M459 HydrophobicContact CG1-SD 3.95Å |
| 388 | G | 91 | Very high | 88.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -51.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | E384 K385 A390 Y391 L392 | E384-G388 PolarHBondContact O-N 3.28Å; E384-G388 VanDerWaalsContact O-N 3.17Å; K385-G388 CarbonylContact O-C 3.57Å; K385-G388 WeakPolarHBondContact O-CA 3.47Å; K385-G388 PolarHBondContact O-N 2.93Å; G388-A390 PolarHBondContact O-N 2.74Å; G388-Y391 WeakPolarHBondContact O-CB 3.24Å; G388-Y391 PolarHBondContact O-N 2.93Å; G388-Y391 VanDerWaalsContact O-N 3.14Å; G388-L392 PolarHBondContact O-N 3.37Å |
| 389 | D | 92.2 | Very high | 88.9 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | 176.9 | -67.4 | -9.5 | 0 | 0 | 0 | 111 | K385 Y391 L392 K393 | K385-D389 IonicContact NZ-OD1 2.79Å; K385-D389 PolarHBondContact NZ-OD1 3.25Å; K385-D389 IonicContact NZ-OD2 2.71Å; K385-D389 PolarHBondContact NZ-OD2 2.88Å; K385-D389 WeakPolarHBondContact O-CB 3.39Å; K385-D389 VanDerWaalsContact O-CG 3.31Å; K385-D389 PolarHBondContact O-N 2.92Å; D389-Y391 VanDerWaalsContact C-N 3.27Å; D389-Y391 PolarHBondContact O-N 2.83Å; D389-L392 PolarHBondContact O-N 2.92Å; D389-K393 WeakPolarHBondContact O-CB 3.49Å; D389-K393 VanDerWaalsContact O-CG 3.27Å; D389-K393 WeakPolarHBondContact O-CG 3.46Å; D389-K393 PolarHBondContact O-N 2.9Å |
| 390 | A | 93.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L347 I386 G388 Q394 | L347-A390 HydrophobicContact CD1-CB 4.03Å; L347-A390 HydrophobicContact CD2-CB 3.9Å; I386-A390 VanDerWaalsContact O-CB 3.31Å; I386-A390 WeakPolarHBondContact O-CB 3.25Å; I386-A390 PolarHBondContact O-N 3.01Å; G388-A390 PolarHBondContact O-N 2.74Å; A390-Q394 WeakPolarHBondContact O-CG 3.48Å; A390-Q394 PolarHBondContact O-N 2.96Å |
| 391 | Y | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.9 | -50.4 | 176.5 | -168.8 | -164 | 0 | 0 | 0 | 111.7 | V330 P331 F358 F362 I374 N376 I387 G388 D389 K393 Q394 V395 Y405 N457 | V330-Y391 HydrophobicContact CG1-CD1 3.98Å; V330-Y391 HydrophobicContact CG1-CD2 3.97Å; V330-Y391 HydrophobicContact CG1-CG 3.62Å; V330-Y391 HydrophobicContact CG2-CD1 4.18Å; P331-Y391 HydrophobicContact CG-CD2 4.38Å; P331-Y391 HydrophobicContact CG-CE2 3.78Å; F358-Y391 AromaticContact CE2-CD2 3.86Å; F358-Y391 HydrophobicContact CE2-CD2 3.86Å; F358-Y391 AromaticContact CE2-CE2 3.89Å; F358-Y391 HydrophobicContact CE2-CE2 3.89Å; F358-Y391 HydrophobicContact CZ-CD2 4.44Å; F358-Y391 HydrophobicContact CZ-CE2 4.3Å; F362-Y391 HydrophobicContact CE2-CE2 4.19Å; F362-Y391 HydrophobicContact CZ-CE2 4.04Å; I374-Y391 HydrophobicContact CD1-CE2 4.08Å; I374-Y391 WeakPolarHBondContact CD1-OH 3.18Å; I374-Y391 WeakPolarHBondContact CG1-OH 3.33Å; I374-Y391 HydrophobicContact CG2-CE1 3.5Å; I374-Y391 VanDerWaalsContact CG2-CE1 3.5Å; I374-Y391 VanDerWaalsContact CG2-OH 3.28Å; I374-Y391 WeakPolarHBondContact CG2-OH 3.23Å; N376-Y391 HydrophobicContact CB-CE1 4.49Å; I387-Y391 VanDerWaalsContact O-CB 3.31Å; I387-Y391 WeakPolarHBondContact O-CB 3.17Å; I387-Y391 PolarHBondContact O-N 2.86Å; G388-Y391 WeakPolarHBondContact O-CB 3.24Å; G388-Y391 PolarHBondContact O-N 2.93Å; G388-Y391 VanDerWaalsContact O-N 3.14Å; D389-Y391 VanDerWaalsContact C-N 3.27Å; D389-Y391 PolarHBondContact O-N 2.83Å; Y391-K393 VanDerWaalsContact C-N 3.33Å; Y391-K393 PolarHBondContact O-N 3.31Å; Y391-Q394 PolarHBondContact O-N 2.97Å; Y391-Q394 VanDerWaalsContact O-N 3.17Å; Y391-V395 HydrophobicContact CD2-CG2 4.18Å; Y391-V395 HydrophobicContact CE2-CG2 4.14Å; Y391-V395 WeakPolarHBondContact O-CG2 3.43Å; Y391-V395 PolarHBondContact O-N 3.21Å; Y391-Y405 AromaticContact CD1-CE2 3.9Å; Y391-Y405 HydrophobicContact CD1-CE2 3.9Å; Y391-Y405 HydrophobicContact CE1-CE2 4.12Å; Y391-Y405 HydrophobicContact CG-CE2 4.35Å; Y391-N457 HydrophobicContact CE1-CB 4.15Å; Y391-N457 WeakPolarHBondContact CE1-ND2 3.47Å; Y391-N457 PolarHBondContact OH-ND2 2.72Å |
| 392 | L | 94 | Very high | 91.3 | Very high | 50 Ų | 50 | 49 Ų | 49 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 179.4 | 175.1 | 58.2 | 0 | 0 | 0 | 111.5 | G388 D389 Q394 V395 L396 Y405 I894 | G388-L392 PolarHBondContact O-N 3.37Å; D389-L392 PolarHBondContact O-N 2.92Å; L392-Q394 PolarHBondContact O-N 2.91Å; L392-V395 PolarHBondContact O-N 3.05Å; L392-L396 HydrophobicContact CD1-CD1 4.24Å; L392-L396 HydrophobicContact CD1-CG 4.31Å; L392-L396 HydrophobicContact CG-CD1 4.07Å; L392-L396 WeakPolarHBondContact O-CG 3.42Å; L392-L396 PolarHBondContact O-N 3.39Å; L392-Y405 HydrophobicContact CB-CE1 4.47Å; L392-Y405 HydrophobicContact CD1-CD1 3.9Å; L392-Y405 HydrophobicContact CD1-CE1 3.84Å; L392-Y405 HydrophobicContact CD1-CG 4.44Å; L392-I894 HydrophobicContact CD1-CD1 4.26Å |
| 393 | K | 94.1 | Very high | 92.1 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.6 | -45.7 | 173.9 | -78.6 | 173 | 144 | -144.4 | 0 | 113 | E351 D389 Y391 L396 L397 | E351-K393 WeakPolarHBondContact OE1-CD 3.41Å; E351-K393 IonicContact OE1-NZ 3.98Å; E351-K393 IonicContact OE2-NZ 3.84Å; E351-K393 PolarHBondContact OE2-NZ 2.97Å; D389-K393 WeakPolarHBondContact O-CB 3.49Å; D389-K393 VanDerWaalsContact O-CG 3.27Å; D389-K393 WeakPolarHBondContact O-CG 3.46Å; D389-K393 PolarHBondContact O-N 2.9Å; Y391-K393 VanDerWaalsContact C-N 3.33Å; Y391-K393 PolarHBondContact O-N 3.31Å; K393-L396 WeakPolarHBondContact O-CB 3.44Å; K393-L396 PolarHBondContact O-N 2.79Å; K393-L397 VanDerWaalsContact O-CG 3.32Å; K393-L397 WeakPolarHBondContact O-CG 3.31Å; K393-L397 PolarHBondContact O-N 3.11Å |
| 394 | Q | 95.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.3 | -32.8 | -179.8 | -64.1 | -80 | -59 | 0 | 0 | 112 | V332 E351 T354 V355 F358 A390 Y391 L392 L397 F398 | V332-Q394 HydrophobicContact CG1-CG 4.12Å; E351-Q394 VanDerWaalsContact CG-NE2 3.33Å; E351-Q394 PolarHBondContact O-NE2 2.71Å; T354-Q394 HydrophobicContact CG2-CG 4.32Å; V355-Q394 VanDerWaalsContact CA-OE1 3.27Å; F358-Q394 HydrophobicContact CD1-CB 4.08Å; F358-Q394 HydrophobicContact CD2-CB 3.4Å; F358-Q394 HydrophobicContact CD2-CG 4.14Å; F358-Q394 HydrophobicContact CE1-CB 4.07Å; F358-Q394 VanDerWaalsContact CE1-O 3.25Å; F358-Q394 WeakPolarHBondContact CE1-O 3.45Å; F358-Q394 HydrophobicContact CE2-CB 3.35Å; F358-Q394 HydrophobicContact CE2-CG 4.44Å; F358-Q394 HydrophobicContact CG-CB 3.77Å; F358-Q394 VanDerWaalsContact CZ-C 3.48Å; F358-Q394 HydrophobicContact CZ-CB 3.71Å; A390-Q394 WeakPolarHBondContact O-CG 3.48Å; A390-Q394 PolarHBondContact O-N 2.96Å; Y391-Q394 PolarHBondContact O-N 2.97Å; Y391-Q394 VanDerWaalsContact O-N 3.17Å; L392-Q394 PolarHBondContact O-N 2.91Å; Q394-L397 PolarHBondContact O-N 2.92Å; Q394-F398 WeakPolarHBondContact O-CB 3.28Å; Q394-F398 PolarHBondContact O-N 3.44Å |
| 395 | V | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 169.1 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | F358 I374 Y391 L392 L397 F398 N399 L403 Y405 | F358-V395 HydrophobicContact CZ-CB 4.46Å; F358-V395 HydrophobicContact CZ-CG2 3.79Å; I374-V395 HydrophobicContact CD1-CG2 3.69Å; Y391-V395 HydrophobicContact CD2-CG2 4.18Å; Y391-V395 HydrophobicContact CE2-CG2 4.14Å; Y391-V395 WeakPolarHBondContact O-CG2 3.43Å; Y391-V395 PolarHBondContact O-N 3.21Å; L392-V395 PolarHBondContact O-N 3.05Å; V395-L397 VanDerWaalsContact C-N 3.29Å; V395-L397 PolarHBondContact O-N 3.12Å; V395-F398 PolarHBondContact O-N 3.4Å; V395-N399 PolarHBondContact O-N 3.04Å; V395-L403 HydrophobicContact CG1-CD2 4.18Å; V395-L403 HydrophobicContact CG2-CD2 4.42Å; V395-Y405 HydrophobicContact CG2-CD2 4.05Å |
| 396 | L | 94.4 | Very high | 93.5 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -35.8 | 177 | -74.6 | 165.5 | 0 | 0 | 0 | 112.8 | L392 K393 L889 I894 | L392-L396 HydrophobicContact CD1-CD1 4.24Å; L392-L396 HydrophobicContact CD1-CG 4.31Å; L392-L396 HydrophobicContact CG-CD1 4.07Å; L392-L396 WeakPolarHBondContact O-CG 3.42Å; L392-L396 PolarHBondContact O-N 3.39Å; K393-L396 WeakPolarHBondContact O-CB 3.44Å; K393-L396 PolarHBondContact O-N 2.79Å; L396-L889 HydrophobicContact CD2-CD1 3.75Å; L396-I894 HydrophobicContact CD2-CD1 3.57Å; L396-I894 HydrophobicContact CG-CD1 4.34Å |
| 397 | L | 93.6 | Very high | 93.4 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -74.7 | -29.8 | 176.1 | -70.8 | 171.3 | 0 | 0 | 0 | 113.3 | E351 V355 K393 Q394 V395 | E351-L397 HydrophobicContact CG-CD1 4.26Å; V355-L397 HydrophobicContact CG2-CD1 4.02Å; K393-L397 VanDerWaalsContact O-CG 3.32Å; K393-L397 WeakPolarHBondContact O-CG 3.31Å; K393-L397 PolarHBondContact O-N 3.11Å; Q394-L397 PolarHBondContact O-N 2.92Å; V395-L397 VanDerWaalsContact C-N 3.29Å; V395-L397 PolarHBondContact O-N 3.12Å |
| 398 | F | 94.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -80.4 | -29 | 177.3 | -176.7 | -117.4 | 0 | 0 | 0 | 112.9 | F358 C359 F362 E363 L366 Q394 V395 N400 L403 | F358-F398 HydrophobicContact CD1-CB 4.11Å; F358-F398 HydrophobicContact CD1-CG 4.44Å; F358-F398 HydrophobicContact CE1-CB 3.72Å; F358-F398 HydrophobicContact CE1-CD1 4.41Å; F358-F398 HydrophobicContact CE1-CG 4.14Å; C359-F398 HydrophobicContact CB-CD2 4.09Å; C359-F398 HydrophobicContact CB-CE2 4.06Å; F362-F398 HydrophobicContact CB-CD1 4.23Å; F362-F398 HydrophobicContact CB-CE1 3.6Å; F362-F398 HydrophobicContact CB-CZ 3.77Å; F362-F398 HydrophobicContact CG-CE1 4.42Å; E363-F398 HydrophobicContact CG-CE2 4.21Å; E363-F398 HydrophobicContact CG-CZ 4.24Å; L366-F398 HydrophobicContact CD1-CE1 3.96Å; L366-F398 HydrophobicContact CD1-CZ 4.23Å; Q394-F398 WeakPolarHBondContact O-CB 3.28Å; Q394-F398 PolarHBondContact O-N 3.44Å; V395-F398 PolarHBondContact O-N 3.4Å; F398-N400 HydrophobicContact CD1-CB 3.63Å; F398-N400 HydrophobicContact CE1-CB 3.45Å; F398-N400 VanDerWaalsContact CE1-CB 3.45Å; F398-N400 HydrophobicContact CG-CB 4.47Å; F398-N400 HydrophobicContact CZ-CB 4.18Å; F398-N400 PolarHBondContact O-N 3.02Å; F398-L403 HydrophobicContact CD1-CD2 3.76Å; F398-L403 HydrophobicContact CE1-CD2 4.19Å |
| 399 | N | 93.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | trans | 41.6 | 54 | 168.2 | -165 | 39.8 | 0 | 0 | 0 | 115.6 | V395 S891 | V395-N399 PolarHBondContact O-N 3.04Å; N399-S891 WeakPolarHBondContact ND2-CB 3.44Å; N399-S891 PolarHBondContact ND2-OG 3.43Å; N399-S891 VanDerWaalsContact OD1-CB 3.31Å; N399-S891 WeakPolarHBondContact OD1-CB 3.46Å; N399-S891 PolarHBondContact OD1-OG 3.06Å | ||
| 400 | N | 93.3 | Very high | 91.7 | Very high | 43 Ų | 43 | 33 Ų | 33 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | trans | -108.8 | 128.6 | -174 | -170 | -56.4 | 0 | 0 | 0 | 111.8 | F398 H402 L403 S891 C892 | F398-N400 HydrophobicContact CD1-CB 3.63Å; F398-N400 HydrophobicContact CE1-CB 3.45Å; F398-N400 VanDerWaalsContact CE1-CB 3.45Å; F398-N400 HydrophobicContact CG-CB 4.47Å; F398-N400 HydrophobicContact CZ-CB 4.18Å; F398-N400 PolarHBondContact O-N 3.02Å; N400-H402 PolarHBondContact O-N 2.85Å; N400-H402 WeakPolarHBondContact OD1-CB 3.49Å; N400-H402 PolarHBondContact OD1-N 3.44Å; N400-L403 HydrophobicContact CB-CB 4.3Å; N400-L403 WeakPolarHBondContact O-CB 3.45Å; N400-L403 PolarHBondContact O-N 3.05Å; N400-S891 CarbonylContact C-O 3.6Å; N400-C892 PolarHBondContact N-SG 2.96Å; N400-C892 VanDerWaalsContact N-SG 3.39Å; N400-C892 PolarHBondContact O-SG 3.15Å; N400-C892 VanDerWaalsContact O-SG 3.41Å | ||
| 401 | S | 91.8 | Very high | 90.6 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 58% | 0.58 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.5 | -176.5 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | L403 S891 | S401-L403 VanDerWaalsContact C-N 3.29Å; S401-S891 WeakPolarHBondContact CA-O 3.44Å; S401-S891 PolarHBondContact N-O 2.86Å; S401-S891 VanDerWaalsContact N-O 3.07Å |
| 402 | H | 93.5 | Very high | 89.4 | Confident | 100 Ų | 100 | 42.5 Ų | 42.5 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.5 | 173.9 | -59.1 | -81.4 | 0 | 0 | 0 | 112.9 | L366 K370 K371 Q372 N400 | L366-H402 HydrophobicContact CD1-CB 4.38Å; L366-H402 HydrophobicContact CD2-CB 3.87Å; K370-H402 WeakPolarHBondContact O-CB 3.4Å; K371-H402 WeakPolarHBondContact CA-O 3.41Å; Q372-H402 PolarHBondContact N-O 3.23Å; N400-H402 PolarHBondContact O-N 2.85Å; N400-H402 WeakPolarHBondContact OD1-CB 3.49Å; N400-H402 PolarHBondContact OD1-N 3.44Å |
| 403 | L | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.5 | 175.5 | -166.7 | 63.8 | 0 | 0 | 0 | 110.8 | F362 Q372 I374 V395 F398 N400 S401 | F362-L403 HydrophobicContact CD1-CD1 3.64Å; F362-L403 HydrophobicContact CD1-CD2 3.99Å; F362-L403 HydrophobicContact CE1-CD1 3.54Å; F362-L403 HydrophobicContact CE1-CD2 4.12Å; F362-L403 HydrophobicContact CG-CD2 4.25Å; F362-L403 HydrophobicContact CZ-CD1 4.48Å; Q372-L403 HydrophobicContact CB-CD1 4.03Å; Q372-L403 HydrophobicContact CG-CD1 4.34Å; Q372-L403 WeakPolarHBondContact O-CA 3.38Å; I374-L403 HydrophobicContact CD1-CD1 3.78Å; I374-L403 HydrophobicContact CD1-CD2 4.11Å; I374-L403 HydrophobicContact CD1-CG 4.04Å; I374-L403 HydrophobicContact CG1-CD1 3.98Å; V395-L403 HydrophobicContact CG1-CD2 4.18Å; V395-L403 HydrophobicContact CG2-CD2 4.42Å; F398-L403 HydrophobicContact CD1-CD2 3.76Å; F398-L403 HydrophobicContact CE1-CD2 4.19Å; N400-L403 HydrophobicContact CB-CB 4.3Å; N400-L403 WeakPolarHBondContact O-CB 3.45Å; N400-L403 PolarHBondContact O-N 3.05Å; S401-L403 VanDerWaalsContact C-N 3.29Å |
| 404 | T | 94 | Very high | 86.7 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140 | 175.6 | -51.9 | 0 | 0 | 0 | 0 | 109.2 | Q372 V373 I374 G893 I895 | Q372-T404 PolarHBondContact O-N 3.15Å; V373-T404 HydrophobicContact CG1-CG2 4.37Å; I374-T404 PolarHBondContact N-O 3.17Å; T404-G893 CarbonylContact C-O 3.6Å; T404-G893 WeakPolarHBondContact CA-O 3.41Å; T404-G893 WeakPolarHBondContact CG2-O 3.35Å; T404-I895 HydrophobicContact CG2-CD1 4.46Å |
| 405 | Y | 94.4 | Very high | 84.9 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.6 | 179.5 | -179.7 | -86.2 | 0 | 0 | 0 | 111.4 | I374 N376 Y391 L392 V395 G893 I894 I895 | I374-Y405 HydrophobicContact CB-CD2 4.07Å; I374-Y405 HydrophobicContact CD1-CD2 4.08Å; I374-Y405 HydrophobicContact CG2-CD2 3.73Å; I374-Y405 HydrophobicContact CG2-CE2 4.08Å; N376-Y405 HydrophobicContact CB-CE2 3.88Å; N376-Y405 PolarHBondContact ND2-OH 3.19Å; Y391-Y405 AromaticContact CD1-CE2 3.9Å; Y391-Y405 HydrophobicContact CD1-CE2 3.9Å; Y391-Y405 HydrophobicContact CE1-CE2 4.12Å; Y391-Y405 HydrophobicContact CG-CE2 4.35Å; L392-Y405 HydrophobicContact CB-CE1 4.47Å; L392-Y405 HydrophobicContact CD1-CD1 3.9Å; L392-Y405 HydrophobicContact CD1-CE1 3.84Å; L392-Y405 HydrophobicContact CD1-CG 4.44Å; V395-Y405 HydrophobicContact CG2-CD2 4.05Å; Y405-G893 PolarHBondContact N-O 3.19Å; Y405-I894 WeakPolarHBondContact O-CA 3.34Å; Y405-I895 PolarHBondContact O-N 3.47Å |
| 406 | V | 92.4 | Very high | 82.9 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.6 | 176.5 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | V373 I374 I375 N376 L425 I429 I895 | V373-V406 HydrophobicContact CG1-CG2 3.79Å; I374-V406 PolarHBondContact O-N 3.06Å; I375-V406 HydrophobicContact CG1-CB 4.4Å; N376-V406 PolarHBondContact N-O 3.36Å; V406-L425 HydrophobicContact CG1-CD1 4.2Å; V406-I429 HydrophobicContact CG1-CG2 4.4Å; V406-I895 WeakPolarHBondContact CA-O 3.5Å; V406-I895 HydrophobicContact CG1-CB 4.4Å; V406-I895 HydrophobicContact CG1-CG2 4.46Å; V406-I895 HydrophobicContact CG2-CB 4.31Å; V406-I895 HydrophobicContact CG2-CD1 4.43Å |
| 407 | S | 89.5 | Confident | 80.9 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.1 | 172.1 | -154.5 | 0 | 0 | 0 | 0 | 109.8 | Q380 I895 S897 | Q380-S407 PolarHBondContact NE2-OG 3.01Å; Q380-S407 PolarHBondContact OE1-OG 3.44Å; S407-I895 PolarHBondContact N-O 2.92Å; S407-S897 PolarHBondContact O-N 3.16Å; S407-S897 PolarHBondContact O-OG 3.14Å |
| 408 | F | 86.6 | Confident | 79.3 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | trans | -140 | 107 | 178.3 | 179.9 | -98.5 | 0 | 0 | 0 | 110.4 | N376 L377 F410 H413 L425 S897 | N376-F408 PolarHBondContact O-N 3.35Å; L377-F408 HydrophobicContact CD2-CB 4.34Å; L377-F408 HydrophobicContact CD2-CD1 3.88Å; F408-F410 HydrophobicContact CD1-CB 4.38Å; F408-F410 HydrophobicContact CD1-CD2 4.49Å; F408-F410 HydrophobicContact CE1-CB 4.42Å; F408-F410 HydrophobicContact CE1-CD2 4.13Å; F408-F410 PolarHBondContact O-N 3.03Å; F408-H413 HydrophobicContact CE1-CB 4.11Å; F408-H413 HydrophobicContact CE2-CB 3.95Å; F408-H413 AromaticContact CE2-CD2 3.64Å; F408-H413 AromaticContact CE2-CG 3.61Å; F408-H413 HydrophobicContact CZ-CB 3.5Å; F408-H413 AromaticContact CZ-CG 3.72Å; F408-L425 HydrophobicContact CB-CD1 4.17Å; F408-L425 HydrophobicContact CB-CD2 4.37Å; F408-L425 HydrophobicContact CD1-CD2 3.99Å; F408-L425 HydrophobicContact CD2-CB 4.01Å; F408-L425 HydrophobicContact CD2-CD1 3.99Å; F408-L425 HydrophobicContact CD2-CD2 4.36Å; F408-L425 HydrophobicContact CD2-CG 4.34Å; F408-L425 HydrophobicContact CE1-CD2 4.33Å; F408-L425 HydrophobicContact CE2-CB 3.81Å; F408-L425 HydrophobicContact CG-CB 4.46Å; F408-L425 HydrophobicContact CG-CD1 4.13Å; F408-L425 HydrophobicContact CG-CD2 3.99Å; F408-L425 HydrophobicContact CG-CG 4.42Å; F408-L425 HydrophobicContact CZ-CB 4.07Å; F408-S897 WeakPolarHBondContact CD2-OG 3.48Å | ||
| 409 | D | 78.3 | Confident | 77.6 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | trans | -74.4 | 97.2 | 177.9 | -162.9 | -55.5 | 0 | 0 | 0 | 110.9 | D379 Q380 H411 E412 H413 | D379-D409 WeakPolarHBondContact CA-OD2 3.33Å; Q380-D409 HydrophobicContact CG-CB 4.16Å; Q380-D409 PolarHBondContact N-OD2 2.9Å; D409-H411 VanDerWaalsContact C-N 3.26Å; D409-H411 PolarHBondContact O-N 3.16Å; D409-H411 WeakPolarHBondContact OD1-CA 3.11Å; D409-H411 WeakPolarHBondContact OD1-CB 3.37Å; D409-H411 PolarHBondContact OD1-N 2.99Å; D409-E412 HydrophobicContact CB-CB 4.14Å; D409-E412 PolarHBondContact O-N 3.44Å; D409-E412 PolarHBondContact OD1-N 2.89Å; D409-H413 WeakPolarHBondContact O-CB 3.39Å; D409-H413 PolarHBondContact O-N 3.03Å; D409-H413 PolarHBondContact O-ND1 2.91Å | ||
| 410 | F | 73.6 | Confident | 76.1 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -25.6 | 179.9 | -166.6 | -77 | 0 | 0 | 0 | 113 | L377 F408 C414 F419 V422 R464 V468 | L377-F410 HydrophobicContact CB-CB 4.44Å; L377-F410 HydrophobicContact CD2-CD2 4.46Å; F408-F410 HydrophobicContact CD1-CB 4.38Å; F408-F410 HydrophobicContact CD1-CD2 4.49Å; F408-F410 HydrophobicContact CE1-CB 4.42Å; F408-F410 HydrophobicContact CE1-CD2 4.13Å; F408-F410 PolarHBondContact O-N 3.03Å; F410-C414 HydrophobicContact CD1-CB 4.07Å; F410-C414 HydrophobicContact CE1-CB 3.88Å; F410-C414 HydrophobicContact CZ-CB 4.36Å; F410-C414 VanDerWaalsContact O-CB 3.24Å; F410-C414 WeakPolarHBondContact O-CB 3.27Å; F410-C414 PolarHBondContact O-N 2.83Å; F410-F419 HydrophobicContact CE1-CD1 4.09Å; F410-F419 AromaticContact CE1-CE1 3.77Å; F410-F419 HydrophobicContact CE1-CE1 3.77Å; F410-F419 AromaticContact CZ-CD1 3.75Å; F410-F419 HydrophobicContact CZ-CD1 3.75Å; F410-F419 AromaticContact CZ-CE1 3.78Å; F410-F419 HydrophobicContact CZ-CE1 3.78Å; F410-V422 HydrophobicContact CE2-CG2 3.99Å; F410-R464 HydrophobicContact CB-CG 4.35Å; F410-R464 HydrophobicContact CD1-CG 3.5Å; F410-R464 HydrophobicContact CD2-CG 4.07Å; F410-R464 HydrophobicContact CE1-CG 3.69Å; F410-R464 HydrophobicContact CE2-CG 4.21Å; F410-R464 HydrophobicContact CG-CG 3.71Å; F410-R464 HydrophobicContact CZ-CG 4.04Å; F410-V468 HydrophobicContact CD2-CG2 4.38Å; F410-V468 HydrophobicContact CE2-CG2 4.18Å |
| 411 | H | 71.1 | Confident | 75.1 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -79.2 | -34.6 | 179.9 | -69.9 | 112.2 | 0 | 0 | 0 | 112.3 | D409 R415 R464 | D409-H411 VanDerWaalsContact C-N 3.26Å; D409-H411 PolarHBondContact O-N 3.16Å; D409-H411 WeakPolarHBondContact OD1-CA 3.11Å; D409-H411 WeakPolarHBondContact OD1-CB 3.37Å; D409-H411 PolarHBondContact OD1-N 2.99Å; H411-R415 WeakPolarHBondContact O-CB 2.97Å; H411-R415 PolarHBondContact O-N 3.38Å; H411-R464 PolarHBondContact CE1-NH1 3.27Å; H411-R464 VanDerWaalsContact CE1-NH1 3.26Å |
| 412 | E | 69.9 | Low | 74.4 | Confident | 124 Ų | 124 | 53.3 Ų | 53.3 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.6 | -57.3 | 169.7 | -177.5 | 170.3 | -144.7 | 0 | 0 | 110.9 | D409 C414 R415 | D409-E412 HydrophobicContact CB-CB 4.14Å; D409-E412 PolarHBondContact O-N 3.44Å; D409-E412 PolarHBondContact OD1-N 2.89Å; E412-C414 PolarHBondContact O-N 3.44Å; E412-R415 WeakPolarHBondContact O-CB 3.45Å; E412-R415 PolarHBondContact O-N 3.28Å; E412-R415 VanDerWaalsContact O-N 3.16Å |
| 413 | H | 67.2 | Low | 73.7 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 15% | 0.148 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | -172.9 | -70.8 | 76.5 | 0 | 0 | 0 | 112.5 | F408 D409 R415 N421 | F408-H413 HydrophobicContact CE1-CB 4.11Å; F408-H413 HydrophobicContact CE2-CB 3.95Å; F408-H413 AromaticContact CE2-CD2 3.64Å; F408-H413 AromaticContact CE2-CG 3.61Å; F408-H413 HydrophobicContact CZ-CB 3.5Å; F408-H413 AromaticContact CZ-CG 3.72Å; D409-H413 WeakPolarHBondContact O-CB 3.39Å; D409-H413 PolarHBondContact O-N 3.03Å; D409-H413 PolarHBondContact O-ND1 2.91Å; H413-R415 VanDerWaalsContact C-N 3.34Å; H413-N421 HydrophobicContact CB-CB 4.5Å; H413-N421 WeakPolarHBondContact O-CB 3.5Å; H413-N421 PolarHBondContact O-ND2 3.31Å |
| 414 | C | 63.1 | Low | 73.3 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 21.4 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | F410 E412 M417 F419 | F410-C414 HydrophobicContact CD1-CB 4.07Å; F410-C414 HydrophobicContact CE1-CB 3.88Å; F410-C414 HydrophobicContact CZ-CB 4.36Å; F410-C414 VanDerWaalsContact O-CB 3.24Å; F410-C414 WeakPolarHBondContact O-CB 3.27Å; F410-C414 PolarHBondContact O-N 2.83Å; E412-C414 PolarHBondContact O-N 3.44Å; C414-M417 PolarHBondContact O-N 3.04Å; C414-M417 VanDerWaalsContact O-N 3.09Å; C414-F419 HydrophobicContact CB-CD1 4.05Å; C414-F419 HydrophobicContact CB-CE1 4.37Å |
| 415 | R | 59.3 | Low | 73 | Confident | 204 Ų | 204 | 56.4 Ų | 56.4 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -58.1 | 138.7 | 176.9 | -166.7 | 169.5 | 178.7 | 174.3 | -1.6 | 110.3 | H411 E412 H413 M417 | H411-R415 WeakPolarHBondContact O-CB 2.97Å; H411-R415 PolarHBondContact O-N 3.38Å; E412-R415 WeakPolarHBondContact O-CB 3.45Å; E412-R415 PolarHBondContact O-N 3.28Å; E412-R415 VanDerWaalsContact O-N 3.16Å; H413-R415 VanDerWaalsContact C-N 3.34Å; R415-M417 VanDerWaalsContact C-N 3.27Å; R415-M417 PolarHBondContact O-N 3.04Å |
| 416 | G | 52.3 | Low | 72.7 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 74% | 0.742 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | 71.4 | 16.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K418 | G416-K418 VanDerWaalsContact C-N 3.34Š|
| 417 | M | 53.4 | Low | 72.5 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 40% | 0.404 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | 70.6 | 21.7 | -177.5 | -48.5 | -66.4 | 157.5 | 0 | 0 | 114.6 | C414 R415 F419 | C414-M417 PolarHBondContact O-N 3.04Å; C414-M417 VanDerWaalsContact O-N 3.09Å; R415-M417 VanDerWaalsContact C-N 3.27Å; R415-M417 PolarHBondContact O-N 3.04Å; M417-F419 HydrophobicContact CB-CD2 4.27Å; M417-F419 HydrophobicContact CB-CE2 3.76Å; M417-F419 HydrophobicContact CG-CE2 4.39Å; M417-F419 WeakPolarHBondContact O-CD2 3.39Å; M417-F419 PolarHBondContact O-N 2.96Å; M417-F419 HydrophobicContact SD-CE2 3.91Å; M417-F419 HydrophobicContact SD-CZ 3.88Å |
| 418 | K | 59.2 | Low | 72.5 | Confident | 127 Ų | 127 | 62.9 Ų | 62.9 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | trans | -75.9 | 68.5 | 173.5 | -65 | -169 | 174.7 | -166.7 | 0 | 112 | G416 E420 N421 | G416-K418 VanDerWaalsContact C-N 3.34Å; K418-E420 PolarHBondContact O-N 3.45Å; K418-N421 WeakPolarHBondContact O-CB 3.32Å; K418-N421 PolarHBondContact O-N 3.15Å | ||
| 419 | F | 58.7 | Low | 72.7 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -73.2 | -12.4 | 179.9 | -60.4 | -81.3 | 0 | 0 | 0 | 113.8 | F410 C414 M417 N421 V422 K523 F526 | F410-F419 HydrophobicContact CE1-CD1 4.09Å; F410-F419 AromaticContact CE1-CE1 3.77Å; F410-F419 HydrophobicContact CE1-CE1 3.77Å; F410-F419 AromaticContact CZ-CD1 3.75Å; F410-F419 HydrophobicContact CZ-CD1 3.75Å; F410-F419 AromaticContact CZ-CE1 3.78Å; F410-F419 HydrophobicContact CZ-CE1 3.78Å; C414-F419 HydrophobicContact CB-CD1 4.05Å; C414-F419 HydrophobicContact CB-CE1 4.37Å; M417-F419 HydrophobicContact CB-CD2 4.27Å; M417-F419 HydrophobicContact CB-CE2 3.76Å; M417-F419 HydrophobicContact CG-CE2 4.39Å; M417-F419 WeakPolarHBondContact O-CD2 3.39Å; M417-F419 PolarHBondContact O-N 2.96Å; M417-F419 HydrophobicContact SD-CE2 3.91Å; M417-F419 HydrophobicContact SD-CZ 3.88Å; F419-N421 PolarHBondContact O-N 2.85Å; F419-N421 VanDerWaalsContact O-N 3.15Å; F419-V422 WeakPolarHBondContact O-CB 3.26Å; F419-V422 WeakPolarHBondContact O-CG2 3.24Å; F419-V422 PolarHBondContact O-N 3.35Å; F419-K523 HydrophobicContact CE1-CD 4.08Å; F419-K523 HydrophobicContact CZ-CD 3.71Å; F419-K523 HydrophobicContact CZ-CG 4.47Å; F419-F526 HydrophobicContact CB-CD1 4.37Å; F419-F526 HydrophobicContact CB-CD2 4.08Å; F419-F526 HydrophobicContact CB-CE1 3.71Å; F419-F526 HydrophobicContact CB-CE2 3.34Å; F419-F526 HydrophobicContact CB-CZ 3.15Å; F419-F526 HydrophobicContact CD1-CD1 4.31Å; F419-F526 HydrophobicContact CD1-CE1 4.21Å; F419-F526 HydrophobicContact CD1-CZ 4.48Å; F419-F526 HydrophobicContact CD2-CD1 4.07Å; F419-F526 AromaticContact CD2-CD2 3.39Å; F419-F526 HydrophobicContact CD2-CD2 3.39Å; F419-F526 HydrophobicContact CD2-CE1 4.25Å; F419-F526 AromaticContact CD2-CE2 3.59Å; F419-F526 HydrophobicContact CD2-CE2 3.59Å; F419-F526 AromaticContact CD2-CG 3.67Å; F419-F526 HydrophobicContact CD2-CG 3.67Å; F419-F526 HydrophobicContact CD2-CZ 4.05Å; F419-F526 HydrophobicContact CE2-CB 4.33Å; F419-F526 HydrophobicContact CE2-CD1 4.42Å; F419-F526 HydrophobicContact CE2-CD2 4.02Å; F419-F526 AromaticContact CE2-CG 3.94Å; F419-F526 HydrophobicContact CE2-CG 3.94Å; F419-F526 HydrophobicContact CG-CD1 4.02Å; F419-F526 AromaticContact CG-CD2 3.93Å; F419-F526 HydrophobicContact CG-CD2 3.93Å; F419-F526 AromaticContact CG-CE1 3.83Å; F419-F526 HydrophobicContact CG-CE1 3.83Å; F419-F526 AromaticContact CG-CE2 3.72Å; F419-F526 HydrophobicContact CG-CE2 3.72Å; F419-F526 HydrophobicContact CG-CG 4.1Å; F419-F526 AromaticContact CG-CZ 3.7Å; F419-F526 HydrophobicContact CG-CZ 3.7Å |
| 420 | E | 62.5 | Low | 73.4 | Confident | 153 Ų | 153 | 66.1 Ų | 66.1 | 72% | 0.715 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -49.4 | -32.5 | 165.4 | -69.8 | 150.2 | -133.9 | 0 | 0 | 111.7 | K418 V422 Q423 | K418-E420 PolarHBondContact O-N 3.45Å; E420-V422 PolarHBondContact O-N 2.85Å; E420-Q423 WeakPolarHBondContact O-CB 3.27Å; E420-Q423 PolarHBondContact O-N 2.94Å |
| 421 | N | 72.1 | Confident | 74.2 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -68.6 | -2.8 | 177.8 | -61.5 | -10.9 | 0 | 0 | 0 | 113.9 | H413 K418 F419 Q423 T424 | H413-N421 HydrophobicContact CB-CB 4.5Å; H413-N421 WeakPolarHBondContact O-CB 3.5Å; H413-N421 PolarHBondContact O-ND2 3.31Å; K418-N421 WeakPolarHBondContact O-CB 3.32Å; K418-N421 PolarHBondContact O-N 3.15Å; F419-N421 PolarHBondContact O-N 2.85Å; F419-N421 VanDerWaalsContact O-N 3.15Å; N421-Q423 VanDerWaalsContact C-N 3.27Å; N421-T424 WeakPolarHBondContact O-CB 3.33Å; N421-T424 PolarHBondContact O-N 3.48Å |
| 422 | V | 77.1 | Confident | 75.3 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.8 | -26.3 | 163.5 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | F410 F419 E420 T424 L425 T426 V467 V468 A471 | F410-V422 HydrophobicContact CE2-CG2 3.99Å; F419-V422 WeakPolarHBondContact O-CB 3.26Å; F419-V422 WeakPolarHBondContact O-CG2 3.24Å; F419-V422 PolarHBondContact O-N 3.35Å; E420-V422 PolarHBondContact O-N 2.85Å; V422-T424 VanDerWaalsContact C-N 3.28Å; V422-T424 PolarHBondContact O-N 2.98Å; V422-L425 WeakPolarHBondContact O-CB 3.25Å; V422-L425 PolarHBondContact O-N 2.82Å; V422-L425 VanDerWaalsContact O-N 3.11Å; V422-T426 PolarHBondContact O-N 2.79Å; V422-T426 VanDerWaalsContact O-N 3.11Å; V422-T426 PolarHBondContact O-OG1 3.47Å; V422-V467 HydrophobicContact CG2-CG1 4.11Å; V422-V468 HydrophobicContact CG1-CG2 4.2Å; V422-A471 HydrophobicContact CG1-CB 3.78Å |
| 423 | Q | 79.3 | Confident | 76.3 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 171.3 | -168.4 | 61.3 | 49 | 0 | 0 | 110.5 | E420 N421 L425 T426 D427 | E420-Q423 WeakPolarHBondContact O-CB 3.27Å; E420-Q423 PolarHBondContact O-N 2.94Å; N421-Q423 VanDerWaalsContact C-N 3.27Å; Q423-L425 PolarHBondContact O-N 3.49Å; Q423-T426 WeakPolarHBondContact CA-OG1 3.46Å; Q423-T426 PolarHBondContact NE2-OG1 3.08Å; Q423-T426 CarbonylContact O-C 3.54Å; Q423-T426 PolarHBondContact O-N 3.34Å; Q423-T426 PolarHBondContact O-OG1 3.36Å; Q423-D427 PolarHBondContact NE2-OD1 3.06Å; Q423-D427 WeakPolarHBondContact O-CB 3.4Å; Q423-D427 PolarHBondContact O-N 2.99Å |
| 424 | T | 84.6 | Confident | 77.4 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57 | -33.3 | 175 | -43.5 | 0 | 0 | 0 | 0 | 112.9 | N421 V422 A428 | N421-T424 WeakPolarHBondContact O-CB 3.33Å; N421-T424 PolarHBondContact O-N 3.48Å; V422-T424 VanDerWaalsContact C-N 3.28Å; V422-T424 PolarHBondContact O-N 2.98Å; T424-A428 VanDerWaalsContact O-CB 3.25Å; T424-A428 WeakPolarHBondContact O-CB 3.36Å; T424-A428 PolarHBondContact O-N 2.92Å |
| 425 | L | 87.4 | Confident | 78.7 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.5 | -48.9 | 172.1 | 174.5 | 62.3 | 0 | 0 | 0 | 111.2 | I375 V406 F408 V422 Q423 D427 A428 I429 V468 | I375-L425 HydrophobicContact CG2-CD2 4.07Å; V406-L425 HydrophobicContact CG1-CD1 4.2Å; F408-L425 HydrophobicContact CB-CD1 4.17Å; F408-L425 HydrophobicContact CB-CD2 4.37Å; F408-L425 HydrophobicContact CD1-CD2 3.99Å; F408-L425 HydrophobicContact CD2-CB 4.01Å; F408-L425 HydrophobicContact CD2-CD1 3.99Å; F408-L425 HydrophobicContact CD2-CD2 4.36Å; F408-L425 HydrophobicContact CD2-CG 4.34Å; F408-L425 HydrophobicContact CE1-CD2 4.33Å; F408-L425 HydrophobicContact CE2-CB 3.81Å; F408-L425 HydrophobicContact CG-CB 4.46Å; F408-L425 HydrophobicContact CG-CD1 4.13Å; F408-L425 HydrophobicContact CG-CD2 3.99Å; F408-L425 HydrophobicContact CG-CG 4.42Å; F408-L425 HydrophobicContact CZ-CB 4.07Å; V422-L425 WeakPolarHBondContact O-CB 3.25Å; V422-L425 PolarHBondContact O-N 2.82Å; V422-L425 VanDerWaalsContact O-N 3.11Å; Q423-L425 PolarHBondContact O-N 3.49Å; L425-D427 VanDerWaalsContact C-N 3.31Å; L425-D427 PolarHBondContact O-N 2.91Å; L425-A428 PolarHBondContact O-N 2.67Å; L425-I429 HydrophobicContact CD1-CG2 4.35Å; L425-I429 HydrophobicContact CG-CD1 4.49Å; L425-I429 WeakPolarHBondContact O-CG1 3.37Å; L425-I429 PolarHBondContact O-N 3.28Å; L425-I429 VanDerWaalsContact O-N 3.15Å; L425-V468 HydrophobicContact CD2-CG1 3.9Å; L425-V468 HydrophobicContact CD2-CG2 4.32Å |
| 426 | T | 88.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -32.5 | -179.8 | 46 | 0 | 0 | 0 | 0 | 113.2 | V422 Q423 I429 Y430 I433 A471 I472 | V422-T426 PolarHBondContact O-N 2.79Å; V422-T426 VanDerWaalsContact O-N 3.11Å; V422-T426 PolarHBondContact O-OG1 3.47Å; Q423-T426 WeakPolarHBondContact CA-OG1 3.46Å; Q423-T426 PolarHBondContact NE2-OG1 3.08Å; Q423-T426 CarbonylContact O-C 3.54Å; Q423-T426 PolarHBondContact O-N 3.34Å; Q423-T426 PolarHBondContact O-OG1 3.36Å; T426-I429 CarbonylContact O-C 3.59Å; T426-Y430 VanDerWaalsContact O-CA 3.3Å; T426-Y430 WeakPolarHBondContact O-CA 3.07Å; T426-Y430 WeakPolarHBondContact O-CB 3.48Å; T426-Y430 PolarHBondContact O-N 2.96Å; T426-I433 HydrophobicContact CG2-CD1 4.44Å; T426-A471 HydrophobicContact CG2-CB 3.89Å; T426-I472 HydrophobicContact CG2-CG1 4.04Å |
| 427 | D | 88.3 | Confident | 82.2 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 174.3 | -59.2 | -19.7 | 0 | 0 | 0 | 110.3 | Q423 L425 I429 Y430 | Q423-D427 PolarHBondContact NE2-OD1 3.06Å; Q423-D427 WeakPolarHBondContact O-CB 3.4Å; Q423-D427 PolarHBondContact O-N 2.99Å; L425-D427 VanDerWaalsContact C-N 3.31Å; L425-D427 PolarHBondContact O-N 2.91Å; D427-I429 PolarHBondContact O-N 3.43Å; D427-Y430 VanDerWaalsContact O-CB 3.29Å; D427-Y430 WeakPolarHBondContact O-CB 3.28Å; D427-Y430 PolarHBondContact O-N 3.17Å; D427-Y430 VanDerWaalsContact O-N 3.16Å |
| 428 | A | 89.1 | Confident | 84.2 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.9 | -18.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T424 L425 | T424-A428 VanDerWaalsContact O-CB 3.25Å; T424-A428 WeakPolarHBondContact O-CB 3.36Å; T424-A428 PolarHBondContact O-N 2.92Å; L425-A428 PolarHBondContact O-N 2.67Å |
| 429 | I | 91.9 | Very high | 86 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 14.3 | 174.2 | 73.6 | -176.6 | 0 | 0 | 0 | 112.6 | I375 V406 L425 T426 D427 D431 I432 I433 F454 I472 | I375-I429 HydrophobicContact CD1-CD1 3.69Å; V406-I429 HydrophobicContact CG1-CG2 4.4Å; L425-I429 HydrophobicContact CD1-CG2 4.35Å; L425-I429 HydrophobicContact CG-CD1 4.49Å; L425-I429 WeakPolarHBondContact O-CG1 3.37Å; L425-I429 PolarHBondContact O-N 3.28Å; L425-I429 VanDerWaalsContact O-N 3.15Å; T426-I429 CarbonylContact O-C 3.59Å; D427-I429 PolarHBondContact O-N 3.43Å; I429-D431 PolarHBondContact O-N 2.93Å; I429-I432 HydrophobicContact CB-CB 4.36Å; I429-I432 HydrophobicContact CB-CD1 4.24Å; I429-I432 HydrophobicContact CG2-CD1 4.37Å; I429-I432 CarbonylContact O-C 3.6Å; I429-I432 WeakPolarHBondContact O-CA 3.4Å; I429-I432 VanDerWaalsContact O-CB 3.29Å; I429-I432 WeakPolarHBondContact O-CB 3.29Å; I429-I432 PolarHBondContact O-N 3.28Å; I429-I433 HydrophobicContact CD1-CD1 4.34Å; I429-I433 HydrophobicContact CD1-CG1 4.46Å; I429-I433 HydrophobicContact CG1-CD1 3.87Å; I429-I433 HydrophobicContact CG1-CG1 4.06Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 3.41Å; I429-F454 HydrophobicContact CD1-CD1 4.48Å; I429-F454 HydrophobicContact CD1-CE1 3.98Å; I429-I472 HydrophobicContact CD1-CD1 4.29Å |
| 430 | Y | 91.5 | Very high | 87.9 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | -170.7 | -178.3 | -99.4 | 0 | 0 | 0 | 112.9 | T426 D427 I432 I433 L434 V475 Q479 | T426-Y430 VanDerWaalsContact O-CA 3.3Å; T426-Y430 WeakPolarHBondContact O-CA 3.07Å; T426-Y430 WeakPolarHBondContact O-CB 3.48Å; T426-Y430 PolarHBondContact O-N 2.96Å; D427-Y430 VanDerWaalsContact O-CB 3.29Å; D427-Y430 WeakPolarHBondContact O-CB 3.28Å; D427-Y430 PolarHBondContact O-N 3.17Å; D427-Y430 VanDerWaalsContact O-N 3.16Å; Y430-I432 PolarHBondContact O-N 2.96Å; Y430-I433 WeakPolarHBondContact O-CB 3.44Å; Y430-I433 PolarHBondContact O-N 2.92Å; Y430-L434 HydrophobicContact CD1-CD1 4.12Å; Y430-L434 HydrophobicContact CE1-CD1 3.59Å; Y430-L434 HydrophobicContact CE1-CG 4.23Å; Y430-L434 PolarHBondContact O-N 3.26Å; Y430-L434 VanDerWaalsContact O-N 3.08Å; Y430-V475 HydrophobicContact CD2-CG1 3.97Å; Y430-V475 HydrophobicContact CE2-CG1 3.75Å; Y430-Q479 PolarHBondContact OH-NE2 3.44Å |
| 431 | D | 91.6 | Very high | 89.4 | Confident | 124 Ų | 124 | 45.2 Ų | 45.2 | 66% | 0.663 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.3 | -32.5 | 177 | -57.6 | -40.5 | 0 | 0 | 0 | 111.9 | I429 L434 D435 | I429-D431 PolarHBondContact O-N 2.93Å; D431-L434 PolarHBondContact O-N 3.02Å; D431-D435 WeakPolarHBondContact O-CB 3.18Å; D431-D435 PolarHBondContact O-N 3.17Å |
| 432 | I | 93.1 | Very high | 90.4 | Very high | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 174.8 | -51.8 | 178 | 0 | 0 | 0 | 110.3 | V373 I429 Y430 L434 D435 M436 F454 I895 | V373-I432 HydrophobicContact CG2-CG2 3.86Å; I429-I432 HydrophobicContact CB-CB 4.36Å; I429-I432 HydrophobicContact CB-CD1 4.24Å; I429-I432 HydrophobicContact CG2-CD1 4.37Å; I429-I432 CarbonylContact O-C 3.6Å; I429-I432 WeakPolarHBondContact O-CA 3.4Å; I429-I432 VanDerWaalsContact O-CB 3.29Å; I429-I432 WeakPolarHBondContact O-CB 3.29Å; I429-I432 PolarHBondContact O-N 3.28Å; Y430-I432 PolarHBondContact O-N 2.96Å; I432-L434 VanDerWaalsContact C-N 3.3Å; I432-L434 PolarHBondContact O-N 2.85Å; I432-D435 PolarHBondContact O-N 3.05Å; I432-M436 HydrophobicContact CG2-CE 3.77Å; I432-M436 WeakPolarHBondContact O-CG 3.32Å; I432-M436 PolarHBondContact O-N 2.95Å; I432-M436 VanDerWaalsContact O-N 3.08Å; I432-F454 HydrophobicContact CG2-CE1 4.13Å; I432-F454 HydrophobicContact CG2-CZ 4.09Å; I432-I895 HydrophobicContact CD1-CD1 3.68Å |
| 433 | I | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 174.4 | -65.9 | 169.4 | 0 | 0 | 0 | 110.7 | T426 I429 Y430 F454 I472 V475 V476 | T426-I433 HydrophobicContact CG2-CD1 4.44Å; I429-I433 HydrophobicContact CD1-CD1 4.34Å; I429-I433 HydrophobicContact CD1-CG1 4.46Å; I429-I433 HydrophobicContact CG1-CD1 3.87Å; I429-I433 HydrophobicContact CG1-CG1 4.06Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 3.41Å; Y430-I433 WeakPolarHBondContact O-CB 3.44Å; Y430-I433 PolarHBondContact O-N 2.92Å; I433-F454 HydrophobicContact CB-CE2 4.37Å; I433-F454 HydrophobicContact CB-CZ 4.27Å; I433-F454 HydrophobicContact CG1-CE1 4.45Å; I433-F454 HydrophobicContact CG1-CE2 3.82Å; I433-F454 HydrophobicContact CG1-CZ 3.54Å; I433-I472 HydrophobicContact CD1-CG1 4.37Å; I433-I472 HydrophobicContact CD1-CG2 4.16Å; I433-I472 HydrophobicContact CG1-CG2 4.19Å; I433-V475 HydrophobicContact CD1-CG1 4.43Å; I433-V475 HydrophobicContact CG2-CG1 4.11Å; I433-V476 HydrophobicContact CG2-CG2 3.47Å; I433-V476 VanDerWaalsContact CG2-CG2 3.47Å |
| 434 | L | 89 | Confident | 91.3 | Very high | 67 Ų | 67 | 52 Ų | 52 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 176.1 | -63.1 | -178.6 | 0 | 0 | 0 | 112.4 | Y430 D431 I432 M436 K437 Q479 | Y430-L434 HydrophobicContact CD1-CD1 4.12Å; Y430-L434 HydrophobicContact CE1-CD1 3.59Å; Y430-L434 HydrophobicContact CE1-CG 4.23Å; Y430-L434 PolarHBondContact O-N 3.26Å; Y430-L434 VanDerWaalsContact O-N 3.08Å; D431-L434 PolarHBondContact O-N 3.02Å; I432-L434 VanDerWaalsContact C-N 3.3Å; I432-L434 PolarHBondContact O-N 2.85Å; L434-M436 PolarHBondContact O-N 3.05Å; L434-K437 PolarHBondContact O-N 3.08Å; L434-Q479 HydrophobicContact CD2-CG 4.2Å |
| 435 | D | 91.5 | Very high | 91.6 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 178 | 175 | 70.8 | 0 | 0 | 0 | 113.7 | K371 D431 I432 K437 | K371-D435 IonicContact NZ-OD2 3.96Å; K371-D435 PolarHBondContact NZ-OD2 3.14Å; D431-D435 WeakPolarHBondContact O-CB 3.18Å; D431-D435 PolarHBondContact O-N 3.17Å; I432-D435 PolarHBondContact O-N 3.05Å; D435-K437 PolarHBondContact O-N 2.98Å |
| 436 | M | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.9 | 174.9 | -67.4 | -55.3 | 113.8 | 0 | 0 | 113.3 | K371 V373 I432 L434 Q450 E451 G452 F454 | K371-M436 HydrophobicContact CD-CE 3.72Å; K371-M436 HydrophobicContact CG-CE 4.21Å; V373-M436 HydrophobicContact CG2-CE 3.66Å; V373-M436 HydrophobicContact CG2-SD 4.13Å; I432-M436 HydrophobicContact CG2-CE 3.77Å; I432-M436 WeakPolarHBondContact O-CG 3.32Å; I432-M436 PolarHBondContact O-N 2.95Å; I432-M436 VanDerWaalsContact O-N 3.08Å; L434-M436 PolarHBondContact O-N 3.05Å; M436-Q450 WeakPolarHBondContact O-CG 3.48Å; M436-E451 PolarHBondContact O-N 2.87Å; M436-G452 WeakPolarHBondContact SD-CA 3.48Å; M436-F454 HydrophobicContact CB-CE2 4.34Å; M436-F454 HydrophobicContact CG-CD2 4.28Å; M436-F454 HydrophobicContact CG-CE2 3.57Å; M436-F454 HydrophobicContact CG-CZ 3.82Å |
| 437 | K | 93.6 | Very high | 92.1 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | trans | 54 | -160.4 | -170.2 | -46.3 | 178.8 | -158.1 | 161.4 | 0 | 112.3 | L434 D435 E451 | L434-K437 PolarHBondContact O-N 3.08Å; D435-K437 PolarHBondContact O-N 2.98Å; K437-E451 HydrophobicContact CD-CG 3.83Å; K437-E451 HydrophobicContact CG-CG 4.41Å; K437-E451 VanDerWaalsContact NZ-CG 3.33Å; K437-E451 IonicContact NZ-OE1 2.75Å; K437-E451 PolarHBondContact NZ-OE1 3.27Å | ||
| 438 | W | 95.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 53 Ų | 53 | 3% | 0.034 | 30% | 0.298 | C | S | . | . | trans | -149.5 | 161.4 | 172.8 | 54.4 | 87.8 | 0 | 0 | 0 | 108.7 | F323 C448 K449 V476 Q479 Q480 K483 | F323-W438 HydrophobicContact CB-CB 4.44Å; W438-C448 PolarHBondContact O-SG 3.05Å; W438-C448 VanDerWaalsContact O-SG 3.33Å; W438-K449 CarbonylContact O-C 3.54Å; W438-V476 HydrophobicContact CB-CG1 4.31Å; W438-V476 HydrophobicContact CD2-CG1 4.32Å; W438-V476 HydrophobicContact CE3-CG1 3.9Å; W438-Q479 HydrophobicContact CH2-CB 3.82Å; W438-Q479 HydrophobicContact CZ3-CB 4.1Å; W438-Q480 HydrophobicContact CD2-CG 3.84Å; W438-Q480 HydrophobicContact CE3-CG 4.43Å; W438-Q480 HydrophobicContact CG-CG 4.05Å; W438-Q480 VanDerWaalsContact CG-NE2 3.32Å; W438-Q480 HydrophobicContact CH2-CG 4.48Å; W438-Q480 HydrophobicContact CZ2-CG 3.91Å; W438-K483 HydrophobicContact CH2-CD 4.06Å; W438-K483 HydrophobicContact CZ2-CD 3.77Å; W438-K483 HydrophobicContact CZ2-CG 4.41Å | ||
| 439 | C | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.8 | 171.2 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | Q189 L321 S322 C448 | Q189-C439 HydrophobicContact CB-CB 3.89Å; Q189-C439 HydrophobicContact CG-CB 4.44Å; L321-C439 CarbonylContact C-O 3.59Å; L321-C439 VanDerWaalsContact CA-O 3.26Å; L321-C439 WeakPolarHBondContact CA-O 3.29Å; S322-C439 PolarHBondContact N-O 3.05Å; S322-C439 PolarHBondContact O-N 3.05Å; C439-C448 CarbonylContact C-O 3.25Å; C439-C448 WeakPolarHBondContact CA-O 3.48Å |
| 440 | W | 96.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 123.2 | 172.7 | -173.4 | -2.1 | 0 | 0 | 0 | 107.9 | H319 L321 V446 I447 C448 L484 | H319-W440 AromaticContact CG-NE1 3.5Å; H319-W440 AromaticContact ND1-NE1 3.36Å; H319-W440 PolarHBondContact ND1-NE1 2.79Å; L321-W440 HydrophobicContact CD1-CD2 4.43Å; L321-W440 HydrophobicContact CD1-CG 3.97Å; L321-W440 HydrophobicContact CD2-CD2 4.31Å; L321-W440 HydrophobicContact CD2-CG 4.26Å; L321-W440 HydrophobicContact CG-CB 4.1Å; L321-W440 HydrophobicContact CG-CD2 4.28Å; L321-W440 HydrophobicContact CG-CG 3.75Å; W440-V446 CarbonylContact O-C 3.47Å; W440-I447 HydrophobicContact CB-CB 4.3Å; W440-I447 HydrophobicContact CD2-CB 4.37Å; W440-I447 HydrophobicContact CD2-CD1 4.01Å; W440-I447 HydrophobicContact CD2-CG2 4.2Å; W440-I447 HydrophobicContact CE3-CG2 4.1Å; W440-I447 HydrophobicContact CG-CB 4.18Å; W440-I447 HydrophobicContact CG-CD1 3.97Å; W440-I447 HydrophobicContact CG-CG2 4.5Å; W440-I447 HydrophobicContact CZ2-CD1 4.39Å; W440-I447 PolarHBondContact O-N 3.48Å; W440-C448 HydrophobicContact CB-CB 3.77Å; W440-C448 PolarHBondContact N-O 2.93Å; W440-C448 PolarHBondContact O-N 2.86Å; W440-C448 VanDerWaalsContact O-N 3.08Å; W440-L484 HydrophobicContact CZ2-CD2 3.88Å |
| 441 | V | 95.3 | Very high | 93 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 11% | 0.109 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.1 | -178.2 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | V188 H319 T320 G445 V446 | V188-V441 HydrophobicContact CG1-CB 4.5Å; V188-V441 HydrophobicContact CG1-CG2 3.79Å; H319-V441 WeakPolarHBondContact CA-O 3.37Å; T320-V441 PolarHBondContact N-O 2.81Å; T320-V441 PolarHBondContact O-N 2.75Å; V441-G445 CarbonylContact C-O 3.58Å; V441-G445 VanDerWaalsContact CA-O 3.27Å; V441-G445 WeakPolarHBondContact CA-O 3.4Å; V441-G445 WeakPolarHBondContact CG1-O 3.31Å; V441-V446 HydrophobicContact CG2-CG2 4.28Å |
| 442 | D | 93.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 49 Ų | 49 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | trans | -137.2 | -166.6 | 169.6 | 74.4 | -3.3 | 0 | 0 | 0 | 111.2 | N318 H319 A444 G445 I447 | N318-D442 WeakPolarHBondContact O-CA 3.46Å; H319-D442 IonicContact CE1-OD2 2.84Å; H319-D442 WeakPolarHBondContact ND1-CB 3.47Å; D442-A444 VanDerWaalsContact C-N 3.3Å; D442-A444 PolarHBondContact O-N 2.91Å; D442-A444 WeakPolarHBondContact OD1-CA 3.37Å; D442-A444 WeakPolarHBondContact OD1-CB 3.33Å; D442-A444 PolarHBondContact OD1-N 3.31Å; D442-G445 PolarHBondContact N-O 3.45Å; D442-G445 PolarHBondContact O-N 2.79Å; D442-G445 PolarHBondContact OD1-N 3.21Å; D442-I447 HydrophobicContact CB-CD1 3.85Å | ||
| 443 | E | 87.5 | Confident | 93.3 | Very high | 156 Ų | 156 | 47.3 Ų | 47.3 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -68 | -25.2 | 177.7 | -71 | 171.3 | 134.2 | 0 | 0 | 114 | N318 | N318-E443 HydrophobicContact CB-CG 4.1Å; N318-E443 PolarHBondContact ND2-OE1 2.96Å; N318-E443 PolarHBondContact ND2-OE2 2.69Å |
| 444 | A | 88.1 | Confident | 93.5 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 81% | 0.81 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -82 | -30.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D442 | D442-A444 VanDerWaalsContact C-N 3.3Å; D442-A444 PolarHBondContact O-N 2.91Å; D442-A444 WeakPolarHBondContact OD1-CA 3.37Å; D442-A444 WeakPolarHBondContact OD1-CB 3.33Å; D442-A444 PolarHBondContact OD1-N 3.31Å |
| 445 | G | 89.2 | Confident | 93.8 | Very high | 28 Ų | 28 | 44 Ų | 44 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | trans | 148.7 | -141.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V441 D442 I447 | V441-G445 CarbonylContact C-O 3.58Å; V441-G445 VanDerWaalsContact CA-O 3.27Å; V441-G445 WeakPolarHBondContact CA-O 3.4Å; V441-G445 WeakPolarHBondContact CG1-O 3.31Å; D442-G445 PolarHBondContact N-O 3.45Å; D442-G445 PolarHBondContact O-N 2.79Å; D442-G445 PolarHBondContact OD1-N 3.21Å; G445-I447 PolarHBondContact O-N 3.06Å | ||
| 446 | V | 93.3 | Very high | 94 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 100.5 | -178.2 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | S192 W440 V441 C448 K449 | S192-V446 WeakPolarHBondContact O-CG2 3.32Å; W440-V446 CarbonylContact O-C 3.47Å; V441-V446 HydrophobicContact CG2-CG2 4.28Å; V446-C448 VanDerWaalsContact CG1-O 3.25Å; V446-C448 WeakPolarHBondContact CG1-O 3.48Å; V446-K449 HydrophobicContact CG1-CD 4.47Å; V446-K449 HydrophobicContact CG1-CG 3.67Å |
| 447 | I | 94.6 | Very high | 93.9 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -43.6 | 174 | -60.7 | 160.1 | 0 | 0 | 0 | 110.9 | W440 D442 G445 | W440-I447 HydrophobicContact CB-CB 4.3Å; W440-I447 HydrophobicContact CD2-CB 4.37Å; W440-I447 HydrophobicContact CD2-CD1 4.01Å; W440-I447 HydrophobicContact CD2-CG2 4.2Å; W440-I447 HydrophobicContact CE3-CG2 4.1Å; W440-I447 HydrophobicContact CG-CB 4.18Å; W440-I447 HydrophobicContact CG-CD1 3.97Å; W440-I447 HydrophobicContact CG-CG2 4.5Å; W440-I447 HydrophobicContact CZ2-CD1 4.39Å; W440-I447 PolarHBondContact O-N 3.48Å; D442-I447 HydrophobicContact CB-CD1 3.85Å; G445-I447 PolarHBondContact O-N 3.06Å |
| 448 | C | 94.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 37 Ų | 37 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.6 | -175.1 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | W438 C439 W440 V446 | W438-C448 PolarHBondContact O-SG 3.05Å; W438-C448 VanDerWaalsContact O-SG 3.33Å; C439-C448 CarbonylContact C-O 3.25Å; C439-C448 WeakPolarHBondContact CA-O 3.48Å; W440-C448 HydrophobicContact CB-CB 3.77Å; W440-C448 PolarHBondContact N-O 2.93Å; W440-C448 PolarHBondContact O-N 2.86Å; W440-C448 VanDerWaalsContact O-N 3.08Å; V446-C448 VanDerWaalsContact CG1-O 3.25Å; V446-C448 WeakPolarHBondContact CG1-O 3.48Å |
| 449 | K | 95.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 36.7 Ų | 36.7 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | trans | -116.5 | 144.1 | 172.3 | -65.9 | 179.2 | -174.8 | 178.1 | 0 | 109.7 | Q189 T193 W438 V446 | Q189-K449 VanDerWaalsContact OE1-CA 3.3Å; T193-K449 HydrophobicContact CG2-CD 4.36Å; W438-K449 CarbonylContact O-C 3.54Å; V446-K449 HydrophobicContact CG1-CD 4.47Å; V446-K449 HydrophobicContact CG1-CG 3.67Å | ||
| 450 | Q | 95.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | trans | -73.8 | 121.7 | 163.7 | -171.1 | 171.4 | -8.3 | 0 | 0 | 108.2 | Q189 V324 M436 G452 | Q189-Q450 PolarHBondContact NE2-O 2.99Å; V324-Q450 PolarHBondContact O-NE2 2.82Å; M436-Q450 WeakPolarHBondContact O-CG 3.48Å; Q450-G452 WeakPolarHBondContact CG-O 3.26Å; Q450-G452 PolarHBondContact NE2-O 3.5Å | ||
| 451 | E | 93.8 | Very high | 88.9 | Confident | 81 Ų | 81 | 36.2 Ų | 36.2 | 38% | 0.379 | 21% | 0.207 | S | C | . | . | trans | -96.1 | -6.4 | -174.6 | -51.3 | -68.5 | -173.6 | 0 | 0 | 112.8 | K371 M436 K437 | K371-E451 WeakPolarHBondContact CB-O 3.33Å; K371-E451 PolarHBondContact N-O 2.78Å; M436-E451 PolarHBondContact O-N 2.87Å; K437-E451 HydrophobicContact CD-CG 3.83Å; K437-E451 HydrophobicContact CG-CG 4.41Å; K437-E451 VanDerWaalsContact NZ-CG 3.33Å; K437-E451 IonicContact NZ-OE1 2.75Å; K437-E451 PolarHBondContact NZ-OE1 3.27Å | ||
| 452 | G | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 166.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y369 K371 M436 Q450 | Y369-G452 WeakPolarHBondContact O-CA 3.05Å; K371-G452 CarbonylContact O-C 3.58Å; K371-G452 WeakPolarHBondContact O-CA 3.45Å; M436-G452 WeakPolarHBondContact SD-CA 3.48Å; Q450-G452 WeakPolarHBondContact CG-O 3.26Å; Q450-G452 PolarHBondContact NE2-O 3.5Å |
| 453 | I | 96.4 | Very high | 86.5 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.6 | -176.2 | 62.7 | 163.1 | 0 | 0 | 0 | 113.1 | V324 T326 Y369 K371 Q372 V373 | V324-I453 HydrophobicContact CB-CG2 4.47Å; V324-I453 HydrophobicContact CG1-CG2 4.47Å; T326-I453 HydrophobicContact CG2-CD1 3.43Å; T326-I453 VanDerWaalsContact CG2-CD1 3.43Å; Y369-I453 HydrophobicContact CD1-CD1 3.71Å; Y369-I453 HydrophobicContact CD1-CG1 4.26Å; Y369-I453 HydrophobicContact CD1-CG2 3.74Å; Y369-I453 HydrophobicContact CD2-CD1 3.5Å; Y369-I453 VanDerWaalsContact CD2-CD1 3.5Å; Y369-I453 HydrophobicContact CD2-CG1 4.33Å; Y369-I453 HydrophobicContact CE1-CD1 4.12Å; Y369-I453 HydrophobicContact CE2-CD1 3.96Å; Y369-I453 HydrophobicContact CG-CD1 3.39Å; Y369-I453 HydrophobicContact CG-CG1 3.86Å; Y369-I453 HydrophobicContact CG-CG2 4.13Å; K371-I453 PolarHBondContact O-N 3.21Å; Q372-I453 WeakPolarHBondContact CA-O 3.23Å; Q372-I453 HydrophobicContact CG-CG1 4.32Å; V373-I453 PolarHBondContact N-O 3.42Å |
| 454 | F | 97.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.4 | 164.8 | -64.3 | -81.6 | 0 | 0 | 0 | 110.4 | F323 Q325 T326 V373 I375 I429 I432 I433 M436 I472 | F323-F454 HydrophobicContact CZ-CD2 4.08Å; F323-F454 HydrophobicContact CZ-CE2 4.45Å; Q325-F454 HydrophobicContact CG-CB 4.48Å; T326-F454 PolarHBondContact N-O 3.33Å; V373-F454 HydrophobicContact CB-CD1 3.7Å; V373-F454 HydrophobicContact CB-CE1 3.88Å; V373-F454 HydrophobicContact CG1-CD1 3.88Å; V373-F454 HydrophobicContact CG1-CE1 3.88Å; V373-F454 HydrophobicContact CG2-CD1 4.4Å; V373-F454 HydrophobicContact CG2-CE1 4.16Å; V373-F454 WeakPolarHBondContact O-CA 3.41Å; I375-F454 HydrophobicContact CD1-CB 4.5Å; I375-F454 HydrophobicContact CD1-CD1 3.71Å; I375-F454 HydrophobicContact CD1-CE1 4.4Å; I375-F454 HydrophobicContact CD1-CG 4.41Å; I375-F454 HydrophobicContact CG1-CD1 4.26Å; I429-F454 HydrophobicContact CD1-CD1 4.48Å; I429-F454 HydrophobicContact CD1-CE1 3.98Å; I432-F454 HydrophobicContact CG2-CE1 4.13Å; I432-F454 HydrophobicContact CG2-CZ 4.09Å; I433-F454 HydrophobicContact CB-CE2 4.37Å; I433-F454 HydrophobicContact CB-CZ 4.27Å; I433-F454 HydrophobicContact CG1-CE1 4.45Å; I433-F454 HydrophobicContact CG1-CE2 3.82Å; I433-F454 HydrophobicContact CG1-CZ 3.54Å; M436-F454 HydrophobicContact CB-CE2 4.34Å; M436-F454 HydrophobicContact CG-CD2 4.28Å; M436-F454 HydrophobicContact CG-CE2 3.57Å; M436-F454 HydrophobicContact CG-CZ 3.82Å; F454-I472 HydrophobicContact CB-CD1 4.34Å; F454-I472 HydrophobicContact CD1-CD1 4.37Å; F454-I472 HydrophobicContact CD2-CG2 3.72Å; F454-I472 HydrophobicContact CE2-CG2 3.92Å; F454-I472 HydrophobicContact CG-CD1 4.17Å; F454-I472 HydrophobicContact CG-CG2 4.33Å |
| 455 | R | 96 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 96.9 | 176.8 | -173.2 | -123.3 | -175.8 | 93.9 | -1.3 | 109 | T326 H361 Q372 V373 I374 I375 N457 | T326-R455 WeakPolarHBondContact O-CA 3.43Å; T326-R455 WeakPolarHBondContact OG1-CB 3.49Å; T326-R455 WeakPolarHBondContact OG1-CG 3.36Å; H361-R455 PolarHBondContact NE2-NH1 3.22Å; H361-R455 PolarHBondContact NE2-NH2 2.96Å; Q372-R455 HydrophobicContact CG-CB 3.72Å; Q372-R455 VanDerWaalsContact OE1-CD 3.3Å; V373-R455 PolarHBondContact O-N 3.19Å; I374-R455 WeakPolarHBondContact CA-O 3.17Å; I375-R455 PolarHBondContact N-O 3.34Å; R455-N457 VanDerWaalsContact CD-OD1 3.25Å; R455-N457 WeakPolarHBondContact CD-OD1 3.39Å; R455-N457 PolarHBondContact NE-OD1 3.36Å; R455-N457 PolarHBondContact O-N 3.3Å |
| 456 | V | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 109.6 | -172.1 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | T326 R327 I375 L377 T465 V468 Q469 | T326-V456 PolarHBondContact O-N 2.96Å; R327-V456 WeakPolarHBondContact CB-O 3.43Å; I375-V456 HydrophobicContact CB-CG2 4.49Å; L377-V456 HydrophobicContact CD1-CG1 3.61Å; L377-V456 HydrophobicContact CG-CG1 4.11Å; V456-T465 HydrophobicContact CG1-CG2 4.09Å; V456-V468 HydrophobicContact CG1-CB 4.13Å; V456-V468 HydrophobicContact CG1-CG1 4.09Å; V456-V468 HydrophobicContact CG2-CG1 4.32Å; V456-Q469 HydrophobicContact CB-CG 4.08Å; V456-Q469 HydrophobicContact CG2-CG 3.67Å |
| 457 | N | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 149.4 | -178 | -82.2 | 21.1 | 0 | 0 | 0 | 111.9 | I375 L377 Y391 R455 | I375-N457 PolarHBondContact O-N 3.22Å; L377-N457 WeakPolarHBondContact CB-O 3.18Å; L377-N457 PolarHBondContact N-O 3.03Å; Y391-N457 HydrophobicContact CE1-CB 4.15Å; Y391-N457 WeakPolarHBondContact CE1-ND2 3.47Å; Y391-N457 PolarHBondContact OH-ND2 2.72Å; R455-N457 VanDerWaalsContact CD-OD1 3.25Å; R455-N457 WeakPolarHBondContact CD-OD1 3.39Å; R455-N457 PolarHBondContact NE-OD1 3.36Å; R455-N457 PolarHBondContact O-N 3.3Å |
| 458 | C | 82.2 | Confident | 86.1 | Confident | 14 Ų | 14 | 16.5 Ų | 16.5 | 10% | 0.095 | 9% | 0.085 | C | C | . | . | trans | -155.6 | 145 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 109 | L377 C461 R464 T465 | L377-C458 HydrophobicContact CB-CB 4.42Å; C458-C461 PolarHBondContact SG-N 2.91Å; C458-R464 HydrophobicContact CB-CB 4.45Å; C458-R464 PolarHBondContact SG-NE 2.85Å; C458-R464 PolarHBondContact SG-NH2 2.99Å; C458-T465 HydrophobicContact CB-CG2 3.44Å; C458-T465 VanDerWaalsContact CB-CG2 3.44Å | ||
| 459 | M | 74.8 | Confident | 86.1 | Confident | 4 Ų | 4 | 14.9 Ų | 14.9 | 2% | 0.02 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -68.4 | -46 | 176.6 | -164 | -175.6 | 97.2 | 0 | 0 | 112 | R296 W334 P345 V378 E384 I387 | R296-M459 PolarHBondContact NH1-O 3.35Å; W334-M459 HydrophobicContact CH2-CB 4.42Å; W334-M459 HydrophobicContact CH2-CG 3.3Å; W334-M459 HydrophobicContact CH2-SD 4.33Å; W334-M459 HydrophobicContact CZ2-CG 4.24Å; W334-M459 HydrophobicContact CZ3-CG 3.69Å; W334-M459 HydrophobicContact CZ3-SD 4.13Å; P345-M459 HydrophobicContact CB-CE 4.23Å; P345-M459 HydrophobicContact CB-SD 3.96Å; P345-M459 HydrophobicContact CG-CE 3.92Å; P345-M459 HydrophobicContact CG-SD 3.74Å; V378-M459 HydrophobicContact CG2-CB 4.17Å; E384-M459 VanDerWaalsContact CA-SD 3.6Å; E384-M459 HydrophobicContact CB-CB 4.08Å; E384-M459 HydrophobicContact CB-CE 4.45Å; E384-M459 HydrophobicContact CB-CG 4.49Å; E384-M459 HydrophobicContact CB-SD 3.69Å; E384-M459 HydrophobicContact CG-CB 4.04Å; E384-M459 HydrophobicContact CG-CE 3.9Å; E384-M459 HydrophobicContact CG-CG 4.49Å; E384-M459 HydrophobicContact CG-SD 3.77Å; I387-M459 HydrophobicContact CB-SD 4.4Å; I387-M459 HydrophobicContact CG1-CG 4.49Å; I387-M459 HydrophobicContact CG1-SD 3.95Å |
| 460 | D | 62.5 | Low | 86.1 | Confident | 11 Ų | 11 | 10.8 Ų | 10.8 | 6% | 0.059 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -147.3 | 27.5 | -158.2 | -124.1 | -15 | 0 | 0 | 0 | 117.2 | R292 R296 Q336 | R292-D460 IonicContact CZ-OD1 2.73Å; R292-D460 IonicContact NE-OD1 3.15Å; R292-D460 PolarHBondContact NE-OD1 3Å; R292-D460 PolarHBondContact NH2-O 3.12Å; R292-D460 IonicContact NH2-OD1 2.68Å; R292-D460 PolarHBondContact NH2-OD1 3.48Å; R292-D460 IonicContact NH2-OD2 3.2Å; R296-D460 IonicContact CZ-OD1 2.78Å; R296-D460 IonicContact NH2-OD1 2.85Å; R296-D460 PolarHBondContact NH2-OD1 2.95Å; R296-D460 IonicContact NH2-OD2 3.96Å; Q336-D460 PolarHBondContact NE2-OD2 3.27Å; Q336-D460 PolarHBondContact OE1-OD2 3.28Å |
| 461 | C | 58.5 | Low | 85.9 | Confident | 24 Ų | 24 | 11.4 Ų | 11.4 | 16% | 0.162 | 7% | 0.066 | C | C | . | . | trans | -160.7 | 137.9 | 148.9 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | C458 D463 R464 | C458-C461 PolarHBondContact SG-N 2.91Å; C461-D463 HydrophobicContact CB-CB 3.79Å; C461-D463 VanDerWaalsContact CB-OD2 3.25Å; C461-D463 WeakPolarHBondContact CB-OD2 3.47Å; C461-D463 PolarHBondContact O-N 2.88Å; C461-R464 PolarHBondContact O-N 3.45Å; C461-R464 PolarHBondContact SG-NE 3.31Å | ||
| 462 | L | 66.9 | Low | 85.9 | Confident | 20 Ų | 20 | 7.6 Ų | 7.6 | 11% | 0.105 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.3 | -38.4 | 162.1 | -175.9 | 81.3 | 0 | 0 | 0 | 110.5 | R464 T465 N466 G509 I512 | L462-R464 PolarHBondContact O-N 2.84Å; L462-R464 VanDerWaalsContact O-N 3.12Å; L462-T465 PolarHBondContact O-N 2.88Å; L462-T465 PolarHBondContact O-OG1 3.39Å; L462-N466 WeakPolarHBondContact O-CB 3.29Å; L462-N466 PolarHBondContact O-N 2.98Å; L462-G509 WeakPolarHBondContact CD2-O 3.49Å; L462-I512 HydrophobicContact CD1-CB 4.35Å; L462-I512 HydrophobicContact CD1-CG2 3.73Å; L462-I512 HydrophobicContact CD2-CB 3.7Å; L462-I512 HydrophobicContact CD2-CG2 3.87Å; L462-I512 HydrophobicContact CG-CG2 4.47Å |
| 463 | D | 71.9 | Confident | 86 | Confident | 11 Ų | 11 | 7.6 Ų | 7.6 | 6% | 0.059 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -46.1 | -39.5 | 179.3 | -40.2 | -40.2 | 0 | 0 | 0 | 112.7 | C461 A521 L522 R547 | C461-D463 HydrophobicContact CB-CB 3.79Å; C461-D463 VanDerWaalsContact CB-OD2 3.25Å; C461-D463 WeakPolarHBondContact CB-OD2 3.47Å; C461-D463 PolarHBondContact O-N 2.88Å; D463-A521 VanDerWaalsContact OD1-CA 3.31Å; D463-A521 WeakPolarHBondContact OD1-CA 3.31Å; D463-A521 WeakPolarHBondContact OD1-CB 3.49Å; D463-L522 WeakPolarHBondContact CB-O 3.47Å; D463-L522 VanDerWaalsContact CG-N 3.32Å; D463-L522 PolarHBondContact OD1-N 2.93Å; D463-L522 WeakPolarHBondContact OD2-CB 3.48Å; D463-R547 IonicContact OD1-NH2 2.85Å; D463-R547 PolarHBondContact OD1-NH2 3.2Å; D463-R547 IonicContact OD2-CZ 2.66Å; D463-R547 IonicContact OD2-NH1 2.71Å; D463-R547 PolarHBondContact OD2-NH1 3.3Å; D463-R547 IonicContact OD2-NH2 3.23Å |
| 464 | R | 84.4 | Confident | 85.8 | Confident | 8 Ų | 8 | 11 Ų | 11 | 3% | 0.03 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.3 | -52.5 | 172.5 | -96.2 | -176.9 | -79.3 | 173 | -5.4 | 112.4 | L377 E384 F410 H411 C458 C461 L462 N466 V467 V468 | L377-R464 HydrophobicContact CD1-CB 4.07Å; L377-R464 PolarHBondContact O-NH1 2.82Å; E384-R464 IonicContact OE1-CZ 2.82Å; E384-R464 IonicContact OE1-NH1 2.68Å; E384-R464 IonicContact OE1-NH2 2.69Å; E384-R464 PolarHBondContact OE1-NH2 2.98Å; E384-R464 IonicContact OE2-CZ 3.55Å; E384-R464 IonicContact OE2-NH1 3.35Å; E384-R464 PolarHBondContact OE2-NH1 2.88Å; E384-R464 IonicContact OE2-NH2 2.83Å; E384-R464 PolarHBondContact OE2-NH2 3.15Å; F410-R464 HydrophobicContact CB-CG 4.35Å; F410-R464 HydrophobicContact CD1-CG 3.5Å; F410-R464 HydrophobicContact CD2-CG 4.07Å; F410-R464 HydrophobicContact CE1-CG 3.69Å; F410-R464 HydrophobicContact CE2-CG 4.21Å; F410-R464 HydrophobicContact CG-CG 3.71Å; F410-R464 HydrophobicContact CZ-CG 4.04Å; H411-R464 PolarHBondContact CE1-NH1 3.27Å; H411-R464 VanDerWaalsContact CE1-NH1 3.26Å; C458-R464 HydrophobicContact CB-CB 4.45Å; C458-R464 PolarHBondContact SG-NE 2.85Å; C458-R464 PolarHBondContact SG-NH2 2.99Å; C461-R464 PolarHBondContact O-N 3.45Å; C461-R464 PolarHBondContact SG-NE 3.31Å; L462-R464 PolarHBondContact O-N 2.84Å; L462-R464 VanDerWaalsContact O-N 3.12Å; R464-N466 VanDerWaalsContact C-N 3.3Å; R464-N466 PolarHBondContact O-N 3.47Å; R464-V467 PolarHBondContact O-N 2.83Å; R464-V468 PolarHBondContact O-N 2.78Å |
| 465 | T | 89.4 | Confident | 85.6 | Confident | 8 Ų | 8 | 12.1 Ų | 12.1 | 5% | 0.049 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.3 | -34.8 | -175.6 | 65.8 | 0 | 0 | 0 | 0 | 112.9 | L377 V456 C458 L462 V468 Q469 | L377-T465 HydrophobicContact CD1-CG2 4.48Å; V456-T465 HydrophobicContact CG1-CG2 4.09Å; C458-T465 HydrophobicContact CB-CG2 3.44Å; C458-T465 VanDerWaalsContact CB-CG2 3.44Å; L462-T465 PolarHBondContact O-N 2.88Å; L462-T465 PolarHBondContact O-OG1 3.39Å; T465-V468 PolarHBondContact O-N 3.02Å; T465-Q469 WeakPolarHBondContact O-CB 3.43Å; T465-Q469 WeakPolarHBondContact O-CG 3.43Å; T465-Q469 PolarHBondContact O-N 2.83Å |
| 466 | N | 91.2 | Very high | 85.6 | Confident | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | -176.5 | -162.1 | 85.9 | 0 | 0 | 0 | 112.2 | R327 L462 R464 A470 W505 G509 | R327-N466 PolarHBondContact NH1-OD1 2.91Å; L462-N466 WeakPolarHBondContact O-CB 3.29Å; L462-N466 PolarHBondContact O-N 2.98Å; R464-N466 VanDerWaalsContact C-N 3.3Å; R464-N466 PolarHBondContact O-N 3.47Å; N466-A470 VanDerWaalsContact O-CB 3.22Å; N466-A470 WeakPolarHBondContact O-CB 3.34Å; N466-A470 PolarHBondContact O-N 3.42Å; N466-W505 PolarHBondContact ND2-O 3.27Å; N466-G509 WeakPolarHBondContact OD1-CA 3.32Å; N466-G509 PolarHBondContact OD1-N 3.27Å |
| 467 | V | 87.3 | Confident | 85.6 | Confident | 15 Ų | 15 | 12.2 Ų | 12.2 | 9% | 0.091 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 174.2 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | V422 R464 A470 A471 F526 | V422-V467 HydrophobicContact CG2-CG1 4.11Å; R464-V467 PolarHBondContact O-N 2.83Å; V467-A470 PolarHBondContact O-N 3.33Å; V467-A471 PolarHBondContact O-N 3.04Å; V467-F526 HydrophobicContact CG1-CE1 3.86Å; V467-F526 HydrophobicContact CG2-CD1 4.01Å; V467-F526 HydrophobicContact CG2-CE1 3.95Å |
| 468 | V | 91.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69 | -42.1 | -179.7 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | I375 L377 F410 V422 L425 V456 R464 T465 A470 A471 I472 | I375-V468 HydrophobicContact CD1-CG1 4.41Å; I375-V468 HydrophobicContact CG2-CG1 4.36Å; L377-V468 HydrophobicContact CD1-CB 4.1Å; L377-V468 HydrophobicContact CD1-CG2 3.67Å; L377-V468 HydrophobicContact CD2-CG2 3.97Å; L377-V468 HydrophobicContact CG-CG2 4.48Å; F410-V468 HydrophobicContact CD2-CG2 4.38Å; F410-V468 HydrophobicContact CE2-CG2 4.18Å; V422-V468 HydrophobicContact CG1-CG2 4.2Å; L425-V468 HydrophobicContact CD2-CG1 3.9Å; L425-V468 HydrophobicContact CD2-CG2 4.32Å; V456-V468 HydrophobicContact CG1-CB 4.13Å; V456-V468 HydrophobicContact CG1-CG1 4.09Å; V456-V468 HydrophobicContact CG2-CG1 4.32Å; R464-V468 PolarHBondContact O-N 2.78Å; T465-V468 PolarHBondContact O-N 3.02Å; V468-A470 VanDerWaalsContact C-N 3.31Å; V468-A470 PolarHBondContact O-N 2.7Å; V468-A471 PolarHBondContact O-N 3.46Å; V468-I472 HydrophobicContact CG1-CD1 3.9Å; V468-I472 WeakPolarHBondContact O-CG1 3.41Å; V468-I472 PolarHBondContact O-N 3.35Å; V468-I472 VanDerWaalsContact O-N 3.08Å |
| 469 | Q | 94.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 173.1 | -75.9 | -170.4 | -28.6 | 0 | 0 | 112.2 | T310 Q325 T326 R327 V456 T465 A473 W505 | T310-Q469 PolarHBondContact OG1-OE1 2.86Å; Q325-Q469 HydrophobicContact CB-CG 4.45Å; Q325-Q469 PolarHBondContact NE2-O 2.88Å; T326-Q469 VanDerWaalsContact C-NE2 3.32Å; T326-Q469 PolarHBondContact O-NE2 2.92Å; R327-Q469 VanDerWaalsContact CD-OE1 3.31Å; V456-Q469 HydrophobicContact CB-CG 4.08Å; V456-Q469 HydrophobicContact CG2-CG 3.67Å; T465-Q469 WeakPolarHBondContact O-CB 3.43Å; T465-Q469 WeakPolarHBondContact O-CG 3.43Å; T465-Q469 PolarHBondContact O-N 2.83Å; Q469-A473 WeakPolarHBondContact O-CB 3.2Å; Q469-A473 PolarHBondContact O-N 2.82Å; Q469-W505 HydrophobicContact CB-CH2 3.84Å; Q469-W505 HydrophobicContact CB-CZ3 3.64Å |
| 470 | A | 94.1 | Very high | 87.2 | Confident | 11 Ų | 11 | 15 Ų | 15 | 9% | 0.091 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.5 | -33.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N466 V467 V468 R474 Y501 W505 | N466-A470 VanDerWaalsContact O-CB 3.22Å; N466-A470 WeakPolarHBondContact O-CB 3.34Å; N466-A470 PolarHBondContact O-N 3.42Å; V467-A470 PolarHBondContact O-N 3.33Å; V468-A470 VanDerWaalsContact C-N 3.31Å; V468-A470 PolarHBondContact O-N 2.7Å; A470-R474 WeakPolarHBondContact O-CB 3.47Å; A470-R474 PolarHBondContact O-N 2.88Å; A470-R474 VanDerWaalsContact O-N 3.08Å; A470-Y501 PolarHBondContact O-OH 3.16Å; A470-W505 HydrophobicContact CB-CB 3.91Å; A470-W505 HydrophobicContact CB-CD2 3.52Å; A470-W505 HydrophobicContact CB-CE3 3.74Å; A470-W505 HydrophobicContact CB-CG 3.59Å; A470-W505 HydrophobicContact CB-CZ3 4.44Å |
| 471 | A | 92.1 | Very high | 88.7 | Confident | 24 Ų | 24 | 14.4 Ų | 14.4 | 20% | 0.198 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.2 | -50.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V422 T426 V467 V468 A473 R474 V475 | V422-A471 HydrophobicContact CG1-CB 3.78Å; T426-A471 HydrophobicContact CG2-CB 3.89Å; V467-A471 PolarHBondContact O-N 3.04Å; V468-A471 PolarHBondContact O-N 3.46Å; A471-A473 PolarHBondContact O-N 2.87Å; A471-R474 WeakPolarHBondContact O-CB 3.13Å; A471-R474 PolarHBondContact O-N 3.05Å; A471-R474 VanDerWaalsContact O-N 3.1Å; A471-V475 PolarHBondContact O-N 3.41Å |
| 472 | I | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 178.4 | -63.2 | 167.4 | 0 | 0 | 0 | 110.8 | F323 I375 T426 I429 I433 F454 V468 R474 V475 V476 | F323-I472 HydrophobicContact CE1-CG2 3.95Å; F323-I472 HydrophobicContact CZ-CG2 3.81Å; I375-I472 HydrophobicContact CD1-CD1 3.48Å; I375-I472 VanDerWaalsContact CD1-CD1 3.48Å; T426-I472 HydrophobicContact CG2-CG1 4.04Å; I429-I472 HydrophobicContact CD1-CD1 4.29Å; I433-I472 HydrophobicContact CD1-CG1 4.37Å; I433-I472 HydrophobicContact CD1-CG2 4.16Å; I433-I472 HydrophobicContact CG1-CG2 4.19Å; F454-I472 HydrophobicContact CB-CD1 4.34Å; F454-I472 HydrophobicContact CD1-CD1 4.37Å; F454-I472 HydrophobicContact CD2-CG2 3.72Å; F454-I472 HydrophobicContact CE2-CG2 3.92Å; F454-I472 HydrophobicContact CG-CD1 4.17Å; F454-I472 HydrophobicContact CG-CG2 4.33Å; V468-I472 HydrophobicContact CG1-CD1 3.9Å; V468-I472 WeakPolarHBondContact O-CG1 3.41Å; V468-I472 PolarHBondContact O-N 3.35Å; V468-I472 VanDerWaalsContact O-N 3.08Å; I472-R474 VanDerWaalsContact C-N 3.26Å; I472-R474 PolarHBondContact O-N 2.67Å; I472-V475 PolarHBondContact O-N 3Å; I472-V476 PolarHBondContact O-N 3.34Å; I472-V476 VanDerWaalsContact O-N 3.13Å |
| 473 | A | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.3 | -34.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q312 F323 Q469 A471 V476 M477 Y501 W505 | Q312-A473 PolarHBondContact OE1-O 2.8Å; F323-A473 HydrophobicContact CD1-CB 4.41Å; F323-A473 HydrophobicContact CE1-CB 4.45Å; Q469-A473 WeakPolarHBondContact O-CB 3.2Å; Q469-A473 PolarHBondContact O-N 2.82Å; A471-A473 PolarHBondContact O-N 2.87Å; A473-V476 PolarHBondContact O-N 3.4Å; A473-M477 VanDerWaalsContact O-CB 3.3Å; A473-M477 WeakPolarHBondContact O-CB 3.46Å; A473-M477 PolarHBondContact O-N 3.02Å; A473-Y501 WeakPolarHBondContact CB-OH 3.39Å; A473-W505 HydrophobicContact CB-CH2 4.22Å; A473-W505 HydrophobicContact CB-CZ2 3.45Å; A473-W505 VanDerWaalsContact CB-CZ2 3.45Å |
| 474 | R | 93.1 | Very high | 92.4 | Very high | 77 Ų | 77 | 22 Ų | 22 | 29% | 0.291 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -67.9 | -45.1 | 178 | -175.4 | 177.2 | 165.4 | -163 | -15 | 111.1 | A470 A471 I472 V476 M477 E478 N498 Y501 | A470-R474 WeakPolarHBondContact O-CB 3.47Å; A470-R474 PolarHBondContact O-N 2.88Å; A470-R474 VanDerWaalsContact O-N 3.08Å; A471-R474 WeakPolarHBondContact O-CB 3.13Å; A471-R474 PolarHBondContact O-N 3.05Å; A471-R474 VanDerWaalsContact O-N 3.1Å; I472-R474 VanDerWaalsContact C-N 3.26Å; I472-R474 PolarHBondContact O-N 2.67Å; R474-V476 VanDerWaalsContact C-N 3.31Å; R474-V476 PolarHBondContact O-N 3.21Å; R474-M477 PolarHBondContact O-N 2.99Å; R474-E478 HydrophobicContact CG-CG 4.39Å; R474-E478 IonicContact CZ-OE1 2.75Å; R474-E478 IonicContact NE-OE1 2.81Å; R474-E478 PolarHBondContact NE-OE1 3.08Å; R474-E478 IonicContact NH2-OE1 3.24Å; R474-E478 PolarHBondContact NH2-OE1 2.81Å; R474-E478 WeakPolarHBondContact O-CG 3.15Å; R474-E478 PolarHBondContact O-N 2.99Å; R474-N498 PolarHBondContact NH1-OD1 2.99Å; R474-Y501 HydrophobicContact CB-CE1 3.8Å; R474-Y501 HydrophobicContact CG-CE1 4.25Å; R474-Y501 PolarHBondContact N-OH 3.41Å |
| 475 | V | 92.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | Y430 I433 A471 I472 Q479 | Y430-V475 HydrophobicContact CD2-CG1 3.97Å; Y430-V475 HydrophobicContact CE2-CG1 3.75Å; I433-V475 HydrophobicContact CD1-CG1 4.43Å; I433-V475 HydrophobicContact CG2-CG1 4.11Å; A471-V475 PolarHBondContact O-N 3.41Å; I472-V475 PolarHBondContact O-N 3Å; V475-Q479 WeakPolarHBondContact O-CG 3.44Å; V475-Q479 PolarHBondContact O-N 2.91Å |
| 476 | V | 95.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | F323 I433 W438 I472 A473 R474 E478 Q479 Q480 | F323-V476 HydrophobicContact CB-CG1 3.9Å; F323-V476 HydrophobicContact CD1-CB 3.99Å; F323-V476 HydrophobicContact CD1-CG1 4.08Å; F323-V476 HydrophobicContact CD1-CG2 4.07Å; F323-V476 HydrophobicContact CD2-CB 4.48Å; F323-V476 HydrophobicContact CD2-CG1 4Å; F323-V476 HydrophobicContact CD2-CG2 4.16Å; F323-V476 HydrophobicContact CE1-CB 4.19Å; F323-V476 HydrophobicContact CE1-CG2 3.8Å; F323-V476 HydrophobicContact CE2-CG2 3.92Å; F323-V476 HydrophobicContact CG-CB 4.15Å; F323-V476 HydrophobicContact CG-CG1 3.73Å; F323-V476 HydrophobicContact CG-CG2 4.24Å; F323-V476 HydrophobicContact CZ-CG2 3.73Å; I433-V476 HydrophobicContact CG2-CG2 3.47Å; I433-V476 VanDerWaalsContact CG2-CG2 3.47Å; W438-V476 HydrophobicContact CB-CG1 4.31Å; W438-V476 HydrophobicContact CD2-CG1 4.32Å; W438-V476 HydrophobicContact CE3-CG1 3.9Å; I472-V476 PolarHBondContact O-N 3.34Å; I472-V476 VanDerWaalsContact O-N 3.13Å; A473-V476 PolarHBondContact O-N 3.4Å; R474-V476 VanDerWaalsContact C-N 3.31Å; R474-V476 PolarHBondContact O-N 3.21Å; V476-E478 PolarHBondContact O-N 3.09Å; V476-Q479 WeakPolarHBondContact O-CB 3.4Å; V476-Q479 PolarHBondContact O-N 2.62Å; V476-Q479 VanDerWaalsContact O-N 3.16Å; V476-Q480 HydrophobicContact CG1-CG 4.12Å; V476-Q480 VanDerWaalsContact O-CG 3.27Å; V476-Q480 WeakPolarHBondContact O-CG 3.3Å; V476-Q480 PolarHBondContact O-N 2.97Å |
| 477 | M | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 178.4 | -175.3 | 179.3 | 65.5 | 0 | 0 | 112.7 | F276 Q312 I314 A473 R474 Q479 Q480 L481 L493 Y501 | F276-M477 HydrophobicContact CE2-SD 4.38Å; Q312-M477 PolarHBondContact NE2-SD 2.85Å; I314-M477 HydrophobicContact CD1-CG 3.69Å; I314-M477 HydrophobicContact CD1-SD 3.74Å; I314-M477 HydrophobicContact CG1-CG 4.07Å; A473-M477 VanDerWaalsContact O-CB 3.3Å; A473-M477 WeakPolarHBondContact O-CB 3.46Å; A473-M477 PolarHBondContact O-N 3.02Å; R474-M477 PolarHBondContact O-N 2.99Å; M477-Q479 VanDerWaalsContact C-N 3.28Å; M477-Q479 PolarHBondContact O-N 3.03Å; M477-Q480 WeakPolarHBondContact O-CB 3.19Å; M477-Q480 PolarHBondContact O-N 2.99Å; M477-L481 HydrophobicContact CG-CD1 3.95Å; M477-L481 HydrophobicContact CG-CG 4.35Å; M477-L481 VanDerWaalsContact O-CG 3.31Å; M477-L481 WeakPolarHBondContact O-CG 3.31Å; M477-L481 PolarHBondContact O-N 3.45Å; M477-L493 HydrophobicContact CE-CD1 4.2Å; M477-L493 HydrophobicContact CE-CD2 3.45Å; M477-L493 VanDerWaalsContact CE-CD2 3.45Å; M477-L493 HydrophobicContact CE-CG 4.47Å; M477-Y501 HydrophobicContact CE-CD2 3.55Å; M477-Y501 HydrophobicContact CE-CE2 3.79Å; M477-Y501 HydrophobicContact CE-CG 4.01Å; M477-Y501 HydrophobicContact SD-CD2 3.85Å; M477-Y501 HydrophobicContact SD-CE2 3.99Å |
| 478 | E | 92.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -34.8 | 177.5 | -71.1 | -174 | -176 | 0 | 0 | 111.5 | R474 V476 K482 M487 L493 | R474-E478 HydrophobicContact CG-CG 4.39Å; R474-E478 IonicContact CZ-OE1 2.75Å; R474-E478 IonicContact NE-OE1 2.81Å; R474-E478 PolarHBondContact NE-OE1 3.08Å; R474-E478 IonicContact NH2-OE1 3.24Å; R474-E478 PolarHBondContact NH2-OE1 2.81Å; R474-E478 WeakPolarHBondContact O-CG 3.15Å; R474-E478 PolarHBondContact O-N 2.99Å; V476-E478 PolarHBondContact O-N 3.09Å; E478-K482 WeakPolarHBondContact O-CB 3.49Å; E478-K482 WeakPolarHBondContact O-CD 3.44Å; E478-K482 WeakPolarHBondContact O-CG 3.08Å; E478-K482 PolarHBondContact O-N 3.43Å; E478-K482 VanDerWaalsContact O-N 3.15Å; E478-M487 HydrophobicContact CB-CE 3.81Å; E478-M487 HydrophobicContact CG-CE 3.93Å; E478-L493 HydrophobicContact CG-CB 4.17Å; E478-L493 WeakPolarHBondContact OE1-CB 3.42Å |
| 479 | Q | 92.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71 | -37.5 | 172 | -70.8 | -66.5 | -12.9 | 0 | 0 | 113.3 | Y430 L434 W438 V475 V476 M477 K483 | Y430-Q479 PolarHBondContact OH-NE2 3.44Å; L434-Q479 HydrophobicContact CD2-CG 4.2Å; W438-Q479 HydrophobicContact CH2-CB 3.82Å; W438-Q479 HydrophobicContact CZ3-CB 4.1Å; V475-Q479 WeakPolarHBondContact O-CG 3.44Å; V475-Q479 PolarHBondContact O-N 2.91Å; V476-Q479 WeakPolarHBondContact O-CB 3.4Å; V476-Q479 PolarHBondContact O-N 2.62Å; V476-Q479 VanDerWaalsContact O-N 3.16Å; M477-Q479 VanDerWaalsContact C-N 3.28Å; M477-Q479 PolarHBondContact O-N 3.03Å; Q479-K483 PolarHBondContact O-N 3.13Å |
| 480 | Q | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 175.1 | -73.5 | 175.9 | -22.2 | 0 | 0 | 111.4 | L321 W438 V476 M477 K482 K483 L484 | L321-Q480 HydrophobicContact CD2-CB 3.82Å; L321-Q480 HydrophobicContact CD2-CG 3.81Å; W438-Q480 HydrophobicContact CD2-CG 3.84Å; W438-Q480 HydrophobicContact CE3-CG 4.43Å; W438-Q480 HydrophobicContact CG-CG 4.05Å; W438-Q480 VanDerWaalsContact CG-NE2 3.32Å; W438-Q480 HydrophobicContact CH2-CG 4.48Å; W438-Q480 HydrophobicContact CZ2-CG 3.91Å; V476-Q480 HydrophobicContact CG1-CG 4.12Å; V476-Q480 VanDerWaalsContact O-CG 3.27Å; V476-Q480 WeakPolarHBondContact O-CG 3.3Å; V476-Q480 PolarHBondContact O-N 2.97Å; M477-Q480 WeakPolarHBondContact O-CB 3.19Å; M477-Q480 PolarHBondContact O-N 2.99Å; Q480-K482 VanDerWaalsContact C-N 3.34Å; Q480-K482 PolarHBondContact O-N 3.47Å; Q480-K483 PolarHBondContact O-N 3.28Å; Q480-L484 WeakPolarHBondContact O-CG 3.39Å; Q480-L484 PolarHBondContact O-N 3.17Å |
| 481 | L | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -34.4 | 179.7 | -64 | 170.1 | 0 | 0 | 0 | 112.4 | F276 I314 M477 L484 G485 V486 M487 L493 | F276-L481 HydrophobicContact CB-CD2 4.25Å; F276-L481 HydrophobicContact CD1-CD2 3.85Å; F276-L481 HydrophobicContact CD2-CD2 3.82Å; F276-L481 HydrophobicContact CE1-CD1 3.95Å; F276-L481 HydrophobicContact CE1-CD2 4.04Å; F276-L481 HydrophobicContact CE2-CD1 4.04Å; F276-L481 HydrophobicContact CE2-CD2 3.99Å; F276-L481 HydrophobicContact CG-CD2 3.73Å; F276-L481 HydrophobicContact CZ-CD1 3.62Å; F276-L481 HydrophobicContact CZ-CD2 4.09Å; I314-L481 HydrophobicContact CG2-CD2 3.88Å; M477-L481 HydrophobicContact CG-CD1 3.95Å; M477-L481 HydrophobicContact CG-CG 4.35Å; M477-L481 VanDerWaalsContact O-CG 3.31Å; M477-L481 WeakPolarHBondContact O-CG 3.31Å; M477-L481 PolarHBondContact O-N 3.45Å; L481-L484 PolarHBondContact O-N 3.08Å; L481-G485 PolarHBondContact O-N 3.25Å; L481-V486 HydrophobicContact CD2-CB 4.31Å; L481-V486 HydrophobicContact CD2-CG1 3.87Å; L481-V486 PolarHBondContact O-N 3.26Å; L481-M487 HydrophobicContact CB-CB 3.83Å; L481-M487 HydrophobicContact CD1-SD 4.45Å; L481-M487 PolarHBondContact O-N 2.87Å; L481-L493 HydrophobicContact CD1-CD1 3.88Å |
| 482 | K | 92.4 | Very high | 90.6 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 172 | -75.3 | 172.6 | -171.4 | -166.6 | 0 | 112.2 | E478 Q480 L484 G485 M487 P488 P489 Q491 | E478-K482 WeakPolarHBondContact O-CB 3.49Å; E478-K482 WeakPolarHBondContact O-CD 3.44Å; E478-K482 WeakPolarHBondContact O-CG 3.08Å; E478-K482 PolarHBondContact O-N 3.43Å; E478-K482 VanDerWaalsContact O-N 3.15Å; Q480-K482 VanDerWaalsContact C-N 3.34Å; Q480-K482 PolarHBondContact O-N 3.47Å; K482-L484 VanDerWaalsContact C-N 3.28Å; K482-L484 PolarHBondContact O-N 2.91Å; K482-G485 PolarHBondContact O-N 3.33Å; K482-G485 VanDerWaalsContact O-N 3.14Å; K482-M487 HydrophobicContact CD-CE 4.23Å; K482-M487 HydrophobicContact CG-CB 4.37Å; K482-M487 HydrophobicContact CG-CE 4.02Å; K482-P488 WeakPolarHBondContact CE-O 3.38Å; K482-P489 VanDerWaalsContact CE-O 3.31Å; K482-P489 WeakPolarHBondContact CE-O 3.42Å; K482-P489 PolarHBondContact NZ-O 3.19Å; K482-Q491 WeakPolarHBondContact CE-O 3.39Å; K482-Q491 PolarHBondContact NZ-O 2.94Å |
| 483 | K | 91.9 | Very high | 90.1 | Very high | 127 Ų | 127 | 47 Ų | 47 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.9 | -25 | 176.8 | -70.2 | -162.5 | -164.5 | 165.5 | 0 | 113.9 | W438 Q479 Q480 G485 | W438-K483 HydrophobicContact CH2-CD 4.06Å; W438-K483 HydrophobicContact CZ2-CD 3.77Å; W438-K483 HydrophobicContact CZ2-CG 4.41Å; Q479-K483 PolarHBondContact O-N 3.13Å; Q480-K483 PolarHBondContact O-N 3.28Å; K483-G485 VanDerWaalsContact C-N 3.3Å |
| 484 | L | 92.3 | Very high | 89.7 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -2.6 | 173.6 | -73.3 | 167.7 | 0 | 0 | 0 | 113.9 | I314 V316 H319 L321 W440 Q480 L481 K482 V486 | I314-L484 HydrophobicContact CG2-CD1 4.35Å; V316-L484 HydrophobicContact CB-CD1 4.12Å; V316-L484 HydrophobicContact CG2-CD1 3.9Å; H319-L484 HydrophobicContact CB-CD2 3.97Å; L321-L484 HydrophobicContact CD1-CD1 3.89Å; L321-L484 HydrophobicContact CD1-CD2 4.17Å; L321-L484 HydrophobicContact CD1-CG 4.42Å; L321-L484 HydrophobicContact CD2-CD1 3.89Å; L321-L484 HydrophobicContact CD2-CG 4.24Å; W440-L484 HydrophobicContact CZ2-CD2 3.88Å; Q480-L484 WeakPolarHBondContact O-CG 3.39Å; Q480-L484 PolarHBondContact O-N 3.17Å; L481-L484 PolarHBondContact O-N 3.08Å; K482-L484 VanDerWaalsContact C-N 3.28Å; K482-L484 PolarHBondContact O-N 2.91Å; L484-V486 HydrophobicContact CB-CG2 4.17Å; L484-V486 PolarHBondContact O-N 3.1Å; L484-V486 VanDerWaalsContact O-N 3.16Å |
| 485 | G | 89.7 | Confident | 89.4 | Confident | 66 Ų | 66 | 49 Ų | 49 | 68% | 0.68 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 5.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L481 K482 K483 M487 | L481-G485 PolarHBondContact O-N 3.25Å; K482-G485 PolarHBondContact O-N 3.33Å; K482-G485 VanDerWaalsContact O-N 3.14Å; K483-G485 VanDerWaalsContact C-N 3.3Å; G485-M487 VanDerWaalsContact C-N 3.33Å |
| 486 | V | 89.5 | Confident | 89.2 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -76.3 | -22.4 | 179.3 | 166.5 | 0 | 0 | 0 | 0 | 111.9 | V246 P274 F276 V316 L481 L484 | V246-V486 HydrophobicContact CG2-CG1 3.75Å; P274-V486 HydrophobicContact CB-CG1 4.25Å; P274-V486 HydrophobicContact CB-CG2 4.43Å; F276-V486 HydrophobicContact CD1-CG1 4.08Å; V316-V486 HydrophobicContact CG1-CG2 3.77Å; V316-V486 HydrophobicContact CG2-CG2 4.05Å; L481-V486 HydrophobicContact CD2-CB 4.31Å; L481-V486 HydrophobicContact CD2-CG1 3.87Å; L481-V486 PolarHBondContact O-N 3.26Å; L484-V486 HydrophobicContact CB-CG2 4.17Å; L484-V486 PolarHBondContact O-N 3.1Å; L484-V486 VanDerWaalsContact O-N 3.16Å |
| 487 | M | 88.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -132.7 | 134 | -179.9 | -157.2 | 171.6 | 79.4 | 0 | 0 | 111.4 | Y248 E478 L481 K482 G485 L493 | Y248-M487 WeakPolarHBondContact OH-CG 3.48Å; E478-M487 HydrophobicContact CB-CE 3.81Å; E478-M487 HydrophobicContact CG-CE 3.93Å; L481-M487 HydrophobicContact CB-CB 3.83Å; L481-M487 HydrophobicContact CD1-SD 4.45Å; L481-M487 PolarHBondContact O-N 2.87Å; K482-M487 HydrophobicContact CD-CE 4.23Å; K482-M487 HydrophobicContact CG-CB 4.37Å; K482-M487 HydrophobicContact CG-CE 4.02Å; G485-M487 VanDerWaalsContact C-N 3.33Å; M487-L493 HydrophobicContact SD-CB 4.33Å; M487-L493 HydrophobicContact SD-CD1 4.08Å |
| 488 | P | 85.7 | Confident | 88.7 | Confident | 52 Ų | 52 | 53 Ų | 53 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | trans | -60.9 | 147.1 | 178.6 | -25.4 | 35.9 | 0 | 0 | 0 | 113 | Y248 K482 E490 Q491 | Y248-P488 HydrophobicContact CE2-CG 4.33Å; K482-P488 WeakPolarHBondContact CE-O 3.38Å; P488-E490 VanDerWaalsContact C-N 3.29Å; P488-E490 PolarHBondContact O-N 2.92Å; P488-Q491 HydrophobicContact CB-CB 4.17Å; P488-Q491 HydrophobicContact CB-CG 4.11Å; P488-Q491 HydrophobicContact CG-CB 4.44Å; P488-Q491 HydrophobicContact CG-CG 4.43Å; P488-Q491 PolarHBondContact O-N 2.84Å | ||
| 489 | P | 83.4 | Confident | 88.5 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 70% | 0.695 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35.5 | -176.5 | -27.5 | 35.8 | 0 | 0 | 0 | 114.9 | K482 | K482-P489 VanDerWaalsContact CE-O 3.31Å; K482-P489 WeakPolarHBondContact CE-O 3.42Å; K482-P489 PolarHBondContact NZ-O 3.19Å |
| 490 | E | 81.3 | Confident | 88.4 | Confident | 190 Ų | 190 | 59.7 Ų | 59.7 | 89% | 0.888 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -15.6 | -174 | -62.5 | -179.6 | 174 | 0 | 0 | 113.7 | P488 | P488-E490 VanDerWaalsContact C-N 3.29Å; P488-E490 PolarHBondContact O-N 2.92Å |
| 491 | Q | 82.4 | Confident | 88.3 | Confident | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 146.2 | -175.1 | -65.1 | -176.2 | -1 | 0 | 0 | 111.8 | Y248 K482 P488 | Y248-Q491 HydrophobicContact CE1-CB 3.94Å; Y248-Q491 VanDerWaalsContact CE2-OE1 3.29Å; Y248-Q491 VanDerWaalsContact CZ-OE1 3.3Å; K482-Q491 WeakPolarHBondContact CE-O 3.39Å; K482-Q491 PolarHBondContact NZ-O 2.94Å; P488-Q491 HydrophobicContact CB-CB 4.17Å; P488-Q491 HydrophobicContact CB-CG 4.11Å; P488-Q491 HydrophobicContact CG-CB 4.44Å; P488-Q491 HydrophobicContact CG-CG 4.43Å; P488-Q491 PolarHBondContact O-N 2.84Å |
| 492 | P | 84.6 | Confident | 88.1 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 171.1 | 170.5 | 34.2 | -35.9 | 0 | 0 | 0 | 110.8 | Y248 | Y248-P492 VanDerWaalsContact CE1-O 3.26Å; Y248-P492 WeakPolarHBondContact CE1-O 3.31Å; Y248-P492 PolarHBondContact OH-O 3.15Å |
| 493 | L | 85.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 133.7 | 171.4 | -172.2 | 72.4 | 0 | 0 | 0 | 111.6 | F276 M477 E478 L481 M487 C497 N498 | F276-L493 HydrophobicContact CZ-CD1 4.45Å; M477-L493 HydrophobicContact CE-CD1 4.2Å; M477-L493 HydrophobicContact CE-CD2 3.45Å; M477-L493 VanDerWaalsContact CE-CD2 3.45Å; M477-L493 HydrophobicContact CE-CG 4.47Å; E478-L493 HydrophobicContact CG-CB 4.17Å; E478-L493 WeakPolarHBondContact OE1-CB 3.42Å; L481-L493 HydrophobicContact CD1-CD1 3.88Å; M487-L493 HydrophobicContact SD-CB 4.33Å; M487-L493 HydrophobicContact SD-CD1 4.08Å; L493-C497 HydrophobicContact CD1-CB 3.91Å; L493-C497 HydrophobicContact CD2-CB 4.25Å; L493-C497 HydrophobicContact CG-CB 3.85Å; L493-N498 HydrophobicContact CD2-CB 3.96Å; L493-N498 HydrophobicContact CG-CB 4.44Å |
| 494 | P | 88.5 | Confident | 88.2 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 5% | 0.045 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 147.7 | 178.7 | -27.5 | 34.3 | 0 | 0 | 0 | 113.8 | V246 N247 Y248 K496 C497 N498 | V246-P494 HydrophobicContact CG1-CG 3.91Å; N247-P494 WeakPolarHBondContact O-CB 3.49Å; Y248-P494 HydrophobicContact CD1-CG 4.16Å; Y248-P494 HydrophobicContact CD2-CG 4.41Å; Y248-P494 HydrophobicContact CE1-CB 4.47Å; Y248-P494 HydrophobicContact CE1-CG 3.75Å; Y248-P494 HydrophobicContact CE2-CG 4.02Å; Y248-P494 HydrophobicContact CG-CG 4.49Å; P494-K496 VanDerWaalsContact C-N 3.31Å; P494-K496 PolarHBondContact O-N 2.93Å; P494-C497 HydrophobicContact CB-CB 4.37Å; P494-C497 WeakPolarHBondContact O-CB 3.21Å; P494-C497 PolarHBondContact O-N 2.78Å; P494-C497 VanDerWaalsContact O-N 3.08Å; P494-N498 PolarHBondContact O-N 3.48Å |
| 495 | V | 86.6 | Confident | 88.3 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.2 | -41.6 | -174 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | N498 R499 | V495-N498 PolarHBondContact O-N 2.93Å; V495-R499 WeakPolarHBondContact O-CB 3.17Å; V495-R499 PolarHBondContact O-N 3.17Å |
| 496 | K | 87.3 | Confident | 88.4 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 177 | -64 | -170.7 | -179.5 | -171 | 0 | 111.7 | E250 D253 P494 R499 I500 | E250-K496 IonicContact OE1-NZ 3.93Å; E250-K496 PolarHBondContact OE1-NZ 3.14Å; E250-K496 WeakPolarHBondContact OE2-CD 3.38Å; E250-K496 VanDerWaalsContact OE2-CE 3.29Å; E250-K496 WeakPolarHBondContact OE2-CE 3.4Å; E250-K496 IonicContact OE2-NZ 3.39Å; E250-K496 PolarHBondContact OE2-NZ 3.02Å; D253-K496 IonicContact OD2-NZ 2.77Å; D253-K496 PolarHBondContact OD2-NZ 3.37Å; P494-K496 VanDerWaalsContact C-N 3.31Å; P494-K496 PolarHBondContact O-N 2.93Å; K496-R499 PolarHBondContact O-N 3.45Å; K496-I500 WeakPolarHBondContact O-CG1 3.39Å; K496-I500 PolarHBondContact O-N 2.87Å; K496-I500 VanDerWaalsContact O-N 3.1Å |
| 497 | C | 90.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.9 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | L244 V245 L493 P494 R499 I500 Y501 | L244-C497 HydrophobicContact CD1-CB 4.25Å; V245-C497 PolarHBondContact O-SG 3.49Å; L493-C497 HydrophobicContact CD1-CB 3.91Å; L493-C497 HydrophobicContact CD2-CB 4.25Å; L493-C497 HydrophobicContact CG-CB 3.85Å; P494-C497 HydrophobicContact CB-CB 4.37Å; P494-C497 WeakPolarHBondContact O-CB 3.21Å; P494-C497 PolarHBondContact O-N 2.78Å; P494-C497 VanDerWaalsContact O-N 3.08Å; C497-R499 VanDerWaalsContact C-N 3.31Å; C497-R499 PolarHBondContact O-N 2.87Å; C497-I500 PolarHBondContact O-N 2.81Å; C497-Y501 WeakPolarHBondContact O-CB 3.5Å; C497-Y501 PolarHBondContact O-N 3.01Å |
| 498 | N | 89.1 | Confident | 88.8 | Confident | 28 Ų | 28 | 53.5 Ų | 53.5 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 177.1 | 179.8 | 56.4 | 0 | 0 | 0 | 112.1 | R474 L493 P494 V495 Y501 Q502 | R474-N498 PolarHBondContact NH1-OD1 2.99Å; L493-N498 HydrophobicContact CD2-CB 3.96Å; L493-N498 HydrophobicContact CG-CB 4.44Å; P494-N498 PolarHBondContact O-N 3.48Å; V495-N498 PolarHBondContact O-N 2.93Å; N498-Y501 PolarHBondContact O-N 3.37Å; N498-Q502 PolarHBondContact ND2-NE2 3.2Å; N498-Q502 WeakPolarHBondContact O-CB 3.45Å; N498-Q502 VanDerWaalsContact O-CG 3.25Å; N498-Q502 WeakPolarHBondContact O-CG 3.43Å; N498-Q502 PolarHBondContact O-N 2.89Å |
| 499 | R | 88.2 | Confident | 89 | Confident | 160 Ų | 160 | 51.1 Ų | 51.1 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 177.3 | -173.9 | 171.6 | 177.7 | 166.5 | -3.3 | 112.5 | V495 K496 C497 I503 | V495-R499 WeakPolarHBondContact O-CB 3.17Å; V495-R499 PolarHBondContact O-N 3.17Å; K496-R499 PolarHBondContact O-N 3.45Å; C497-R499 VanDerWaalsContact C-N 3.31Å; C497-R499 PolarHBondContact O-N 2.87Å; R499-I503 HydrophobicContact CG-CD1 4.31Å; R499-I503 WeakPolarHBondContact O-CD1 3.49Å; R499-I503 VanDerWaalsContact O-CG1 3.29Å; R499-I503 WeakPolarHBondContact O-CG1 3.37Å; R499-I503 PolarHBondContact O-N 2.86Å; R499-I503 VanDerWaalsContact O-N 3.08Å |
| 500 | I | 91.6 | Very high | 89.3 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 29% | 0.292 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.1 | -45.1 | 175.1 | -64 | 164.8 | 0 | 0 | 0 | 110.1 | E242 L244 K496 C497 Q502 I503 M504 | E242-I500 HydrophobicContact CB-CG2 4.13Å; E242-I500 HydrophobicContact CG-CG2 3.88Å; L244-I500 HydrophobicContact CD2-CB 3.82Å; L244-I500 HydrophobicContact CD2-CD1 3.47Å; L244-I500 VanDerWaalsContact CD2-CD1 3.47Å; L244-I500 HydrophobicContact CD2-CG1 4.24Å; L244-I500 HydrophobicContact CD2-CG2 3.78Å; K496-I500 WeakPolarHBondContact O-CG1 3.39Å; K496-I500 PolarHBondContact O-N 2.87Å; K496-I500 VanDerWaalsContact O-N 3.1Å; C497-I500 PolarHBondContact O-N 2.81Å; I500-Q502 VanDerWaalsContact C-N 3.35Å; I500-Q502 PolarHBondContact O-N 3.31Å; I500-I503 WeakPolarHBondContact O-CA 3.45Å; I500-I503 WeakPolarHBondContact O-CB 3.36Å; I500-I503 PolarHBondContact O-N 2.86Å; I500-M504 HydrophobicContact CG2-CG 4.42Å; I500-M504 HydrophobicContact CG2-SD 4.42Å; I500-M504 WeakPolarHBondContact O-CG 3.27Å; I500-M504 PolarHBondContact O-N 3.34Å |
| 501 | Y | 92.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.8 | -46.4 | 174.2 | 177.3 | -94.8 | 0 | 0 | 0 | 112.8 | A470 A473 R474 M477 C497 N498 I503 M504 W505 | A470-Y501 PolarHBondContact O-OH 3.16Å; A473-Y501 WeakPolarHBondContact CB-OH 3.39Å; R474-Y501 HydrophobicContact CB-CE1 3.8Å; R474-Y501 HydrophobicContact CG-CE1 4.25Å; R474-Y501 PolarHBondContact N-OH 3.41Å; M477-Y501 HydrophobicContact CE-CD2 3.55Å; M477-Y501 HydrophobicContact CE-CE2 3.79Å; M477-Y501 HydrophobicContact CE-CG 4.01Å; M477-Y501 HydrophobicContact SD-CD2 3.85Å; M477-Y501 HydrophobicContact SD-CE2 3.99Å; C497-Y501 WeakPolarHBondContact O-CB 3.5Å; C497-Y501 PolarHBondContact O-N 3.01Å; N498-Y501 PolarHBondContact O-N 3.37Å; Y501-I503 VanDerWaalsContact C-N 3.35Å; Y501-I503 PolarHBondContact O-N 3.17Å; Y501-M504 PolarHBondContact O-N 2.78Å; Y501-W505 AromaticContact CD2-CD1 3.97Å; Y501-W505 AromaticContact CE1-CD1 3.69Å; Y501-W505 AromaticContact CE1-NE1 3.98Å; Y501-W505 AromaticContact CE2-CD1 3.52Å; Y501-W505 AromaticContact CE2-NE1 3.23Å; Y501-W505 AromaticContact CZ-CD1 3.35Å; Y501-W505 AromaticContact CZ-NE1 3.16Å; Y501-W505 PolarHBondContact O-N 3.34Å; Y501-W505 PolarHBondContact OH-NE1 2.81Å |
| 502 | Q | 90.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 173.2 | -81.4 | 176.7 | -12.4 | 0 | 0 | 112.2 | N498 I500 A506 T527 R528 | N498-Q502 PolarHBondContact ND2-NE2 3.2Å; N498-Q502 WeakPolarHBondContact O-CB 3.45Å; N498-Q502 VanDerWaalsContact O-CG 3.25Å; N498-Q502 WeakPolarHBondContact O-CG 3.43Å; N498-Q502 PolarHBondContact O-N 2.89Å; I500-Q502 VanDerWaalsContact C-N 3.35Å; I500-Q502 PolarHBondContact O-N 3.31Å; Q502-A506 WeakPolarHBondContact O-CB 3.43Å; Q502-A506 PolarHBondContact O-N 3.17Å; Q502-T527 CarbonylContact C-O 3.58Å; Q502-T527 WeakPolarHBondContact CA-O 3.31Å; Q502-T527 VanDerWaalsContact CB-O 3.24Å; Q502-T527 WeakPolarHBondContact CB-O 3.31Å; Q502-T527 VanDerWaalsContact O-O 3.1Å; Q502-R528 PolarHBondContact OE1-O 3.4Å |
| 503 | I | 92 | Very high | 90.4 | Very high | 61 Ų | 61 | 30.8 Ų | 30.8 | 31% | 0.313 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 176 | -70.6 | 162.9 | 0 | 0 | 0 | 111.6 | R499 I500 Y501 W505 A506 N507 | R499-I503 HydrophobicContact CG-CD1 4.31Å; R499-I503 WeakPolarHBondContact O-CD1 3.49Å; R499-I503 VanDerWaalsContact O-CG1 3.29Å; R499-I503 WeakPolarHBondContact O-CG1 3.37Å; R499-I503 PolarHBondContact O-N 2.86Å; R499-I503 VanDerWaalsContact O-N 3.08Å; I500-I503 WeakPolarHBondContact O-CA 3.45Å; I500-I503 WeakPolarHBondContact O-CB 3.36Å; I500-I503 PolarHBondContact O-N 2.86Å; Y501-I503 VanDerWaalsContact C-N 3.35Å; Y501-I503 PolarHBondContact O-N 3.17Å; I503-W505 PolarHBondContact O-N 3.15Å; I503-A506 PolarHBondContact O-N 2.95Å; I503-N507 WeakPolarHBondContact O-CB 3.44Å; I503-N507 PolarHBondContact O-N 3.29Å; I503-N507 PolarHBondContact O-ND2 3Å |
| 504 | M | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 177 | -66.7 | 176.1 | 83.7 | 0 | 0 | 111.7 | Q240 E242 V278 L280 I500 Y501 A506 N507 N508 | Q240-M504 HydrophobicContact CB-CE 4.39Å; Q240-M504 HydrophobicContact CG-CE 4.29Å; Q240-M504 HydrophobicContact CG-CG 4.3Å; Q240-M504 WeakPolarHBondContact O-CE 3.5Å; E242-M504 HydrophobicContact CB-CE 4.24Å; E242-M504 HydrophobicContact CB-SD 3.99Å; E242-M504 HydrophobicContact CG-CE 3.9Å; E242-M504 HydrophobicContact CG-CG 3.92Å; E242-M504 HydrophobicContact CG-SD 3.64Å; V278-M504 HydrophobicContact CG1-CE 4.04Å; V278-M504 HydrophobicContact CG1-SD 3.72Å; V278-M504 HydrophobicContact CG2-CE 4.28Å; V278-M504 HydrophobicContact CG2-SD 4.39Å; L280-M504 HydrophobicContact CB-CE 4.07Å; L280-M504 HydrophobicContact CD2-CB 4.26Å; I500-M504 HydrophobicContact CG2-CG 4.42Å; I500-M504 HydrophobicContact CG2-SD 4.42Å; I500-M504 WeakPolarHBondContact O-CG 3.27Å; I500-M504 PolarHBondContact O-N 3.34Å; Y501-M504 PolarHBondContact O-N 2.78Å; M504-A506 VanDerWaalsContact C-N 3.35Å; M504-A506 PolarHBondContact O-N 2.62Å; M504-N507 PolarHBondContact O-N 3.03Å; M504-N508 PolarHBondContact O-N 3.24Å |
| 505 | W | 94 | Very high | 90.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.9 | -32.6 | 178.5 | -85 | 96.1 | 0 | 0 | 0 | 113.2 | L280 T310 N466 Q469 A470 A473 Y501 I503 G509 T527 | L280-W505 HydrophobicContact CD1-CD2 4.4Å; L280-W505 HydrophobicContact CD1-CH2 4.05Å; L280-W505 HydrophobicContact CD1-CZ2 3.6Å; L280-W505 HydrophobicContact CD2-CD2 3.73Å; L280-W505 HydrophobicContact CD2-CE3 4.27Å; L280-W505 HydrophobicContact CD2-CG 3.85Å; L280-W505 HydrophobicContact CD2-CZ2 4.43Å; T310-W505 HydrophobicContact CG2-CH2 3.49Å; T310-W505 VanDerWaalsContact CG2-CH2 3.49Å; T310-W505 HydrophobicContact CG2-CZ2 4.3Å; T310-W505 HydrophobicContact CG2-CZ3 3.89Å; N466-W505 PolarHBondContact ND2-O 3.27Å; Q469-W505 HydrophobicContact CB-CH2 3.84Å; Q469-W505 HydrophobicContact CB-CZ3 3.64Å; A470-W505 HydrophobicContact CB-CB 3.91Å; A470-W505 HydrophobicContact CB-CD2 3.52Å; A470-W505 HydrophobicContact CB-CE3 3.74Å; A470-W505 HydrophobicContact CB-CG 3.59Å; A470-W505 HydrophobicContact CB-CZ3 4.44Å; A473-W505 HydrophobicContact CB-CH2 4.22Å; A473-W505 HydrophobicContact CB-CZ2 3.45Å; A473-W505 VanDerWaalsContact CB-CZ2 3.45Å; Y501-W505 AromaticContact CD2-CD1 3.97Å; Y501-W505 AromaticContact CE1-CD1 3.69Å; Y501-W505 AromaticContact CE1-NE1 3.98Å; Y501-W505 AromaticContact CE2-CD1 3.52Å; Y501-W505 AromaticContact CE2-NE1 3.23Å; Y501-W505 AromaticContact CZ-CD1 3.35Å; Y501-W505 AromaticContact CZ-NE1 3.16Å; Y501-W505 PolarHBondContact O-N 3.34Å; Y501-W505 PolarHBondContact OH-NE1 2.81Å; I503-W505 PolarHBondContact O-N 3.15Å; W505-G509 PolarHBondContact O-N 3.14Å; W505-T527 HydrophobicContact CB-CG2 4.2Å |
| 506 | A | 90.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.2 | -35.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q502 I503 M504 G509 D510 T527 R528 | Q502-A506 WeakPolarHBondContact O-CB 3.43Å; Q502-A506 PolarHBondContact O-N 3.17Å; I503-A506 PolarHBondContact O-N 2.95Å; M504-A506 VanDerWaalsContact C-N 3.35Å; M504-A506 PolarHBondContact O-N 2.62Å; A506-G509 PolarHBondContact O-N 3.01Å; A506-D510 WeakPolarHBondContact O-CB 3.47Å; A506-D510 PolarHBondContact O-N 3.44Å; A506-T527 HydrophobicContact CB-CG2 3.85Å; A506-R528 HydrophobicContact CB-CB 4.49Å; A506-R528 HydrophobicContact CB-CG 3.24Å |
| 507 | N | 93.1 | Very high | 89.8 | Confident | 43 Ų | 43 | 25.8 Ų | 25.8 | 23% | 0.23 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.5 | -38.7 | 175.1 | -71.1 | -14.3 | 0 | 0 | 0 | 112 | F238 Q240 I503 M504 S511 R528 | F238-N507 HydrophobicContact CE2-CB 3.8Å; F238-N507 HydrophobicContact CZ-CB 3.59Å; Q240-N507 PolarHBondContact OE1-ND2 2.9Å; I503-N507 WeakPolarHBondContact O-CB 3.44Å; I503-N507 PolarHBondContact O-N 3.29Å; I503-N507 PolarHBondContact O-ND2 3Å; M504-N507 PolarHBondContact O-N 3.03Å; N507-S511 WeakPolarHBondContact O-CB 3.21Å; N507-S511 PolarHBondContact O-N 2.71Å; N507-S511 PolarHBondContact O-OG 3.47Å; N507-R528 PolarHBondContact OD1-NH1 3.12Å |
| 508 | N | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.5 | -54.1 | 169.3 | -178.5 | 3.2 | 0 | 0 | 0 | 110.4 | F238 L280 S282 R327 M504 D510 S511 I512 | F238-N508 HydrophobicContact CD1-CB 3.59Å; F238-N508 HydrophobicContact CE1-CB 3.68Å; F238-N508 HydrophobicContact CG-CB 4.21Å; F238-N508 HydrophobicContact CZ-CB 4.35Å; L280-N508 HydrophobicContact CD2-CB 3.78Å; L280-N508 HydrophobicContact CG-CB 4.48Å; S282-N508 PolarHBondContact OG-ND2 3.12Å; S282-N508 PolarHBondContact OG-OD1 2.87Å; S282-N508 VanDerWaalsContact OG-OD1 3.05Å; R327-N508 PolarHBondContact NH2-ND2 3.04Å; R327-N508 PolarHBondContact NH2-OD1 3.15Å; R327-N508 VanDerWaalsContact NH2-OD1 3.12Å; M504-N508 PolarHBondContact O-N 3.24Å; N508-D510 PolarHBondContact O-N 2.89Å; N508-S511 PolarHBondContact O-N 2.79Å; N508-S511 VanDerWaalsContact O-N 3.12Å; N508-I512 PolarHBondContact O-N 2.89Å; N508-I512 WeakPolarHBondContact OD1-CG1 3.46Å |
| 509 | G | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -52.7 | -52.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L462 N466 W505 A506 S511 S513 | L462-G509 WeakPolarHBondContact CD2-O 3.49Å; N466-G509 WeakPolarHBondContact OD1-CA 3.32Å; N466-G509 PolarHBondContact OD1-N 3.27Å; W505-G509 PolarHBondContact O-N 3.14Å; A506-G509 PolarHBondContact O-N 3.01Å; G509-S511 VanDerWaalsContact C-N 3.32Å; G509-S511 PolarHBondContact O-N 3.23Å; G509-S513 WeakPolarHBondContact O-CB 3.27Å; G509-S513 PolarHBondContact O-N 3.49Å |
| 510 | D | 89.1 | Confident | 88.1 | Confident | 15 Ų | 15 | 19.2 Ų | 19.2 | 8% | 0.08 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.2 | -41.5 | 177.1 | -94.7 | -2.5 | 0 | 0 | 0 | 113.6 | A506 N508 S513 R514 A520 A521 R528 | A506-D510 WeakPolarHBondContact O-CB 3.47Å; A506-D510 PolarHBondContact O-N 3.44Å; N508-D510 PolarHBondContact O-N 2.89Å; D510-S513 PolarHBondContact O-N 2.93Å; D510-R514 WeakPolarHBondContact O-CG 3.3Å; D510-R514 PolarHBondContact O-N 3.28Å; D510-A520 WeakPolarHBondContact OD1-CB 3.45Å; D510-A521 WeakPolarHBondContact OD1-CB 3.3Å; D510-A521 PolarHBondContact OD1-N 2.99Å; D510-R528 IonicContact OD1-NH2 3.89Å; D510-R528 IonicContact OD2-CZ 2.76Å; D510-R528 IonicContact OD2-NH2 3.94Å; D510-R528 PolarHBondContact OD2-NH2 2.84Å |
| 511 | S | 91.3 | Very high | 87.1 | Confident | 8 Ų | 8 | 17 Ų | 17 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.2 | -48.6 | -173.8 | -57 | 0 | 0 | 0 | 0 | 112.2 | F238 N507 N508 G509 S513 R514 Q515 | F238-S511 VanDerWaalsContact CD2-OG 3.31Å; F238-S511 WeakPolarHBondContact CD2-OG 3.15Å; N507-S511 WeakPolarHBondContact O-CB 3.21Å; N507-S511 PolarHBondContact O-N 2.71Å; N507-S511 PolarHBondContact O-OG 3.47Å; N508-S511 PolarHBondContact O-N 2.79Å; N508-S511 VanDerWaalsContact O-N 3.12Å; G509-S511 VanDerWaalsContact C-N 3.32Å; G509-S511 PolarHBondContact O-N 3.23Å; S511-S513 PolarHBondContact O-N 2.89Å; S511-R514 PolarHBondContact O-N 3.46Å; S511-R514 PolarHBondContact OG-NH2 3.08Å; S511-Q515 WeakPolarHBondContact O-CG 3.43Å; S511-Q515 PolarHBondContact O-N 3.38Å; S511-Q515 PolarHBondContact O-NE2 3.27Å |
| 512 | I | 91.3 | Very high | 86 | Confident | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.1 | -29.9 | 174.8 | -54.4 | -56.7 | 0 | 0 | 0 | 110.5 | F238 V308 L462 N508 Q515 Y516 | F238-I512 HydrophobicContact CB-CD1 4.34Å; V308-I512 HydrophobicContact CG2-CG2 4.16Å; L462-I512 HydrophobicContact CD1-CB 4.35Å; L462-I512 HydrophobicContact CD1-CG2 3.73Å; L462-I512 HydrophobicContact CD2-CB 3.7Å; L462-I512 HydrophobicContact CD2-CG2 3.87Å; L462-I512 HydrophobicContact CG-CG2 4.47Å; N508-I512 PolarHBondContact O-N 2.89Å; N508-I512 WeakPolarHBondContact OD1-CG1 3.46Å; I512-Q515 WeakPolarHBondContact O-CB 3.38Å; I512-Q515 PolarHBondContact O-N 3.29Å; I512-Y516 WeakPolarHBondContact O-CB 3.41Å; I512-Y516 PolarHBondContact O-N 3.23Å; I512-Y516 VanDerWaalsContact O-N 3.15Å |
| 513 | S | 88.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.3 | -40 | 174.2 | -144.2 | 0 | 0 | 0 | 0 | 112.2 | G509 D510 S511 Q515 Y516 A517 G518 T519 R547 | G509-S513 WeakPolarHBondContact O-CB 3.27Å; G509-S513 PolarHBondContact O-N 3.49Å; D510-S513 PolarHBondContact O-N 2.93Å; S511-S513 PolarHBondContact O-N 2.89Å; S513-Q515 VanDerWaalsContact C-N 3.25Å; S513-Q515 PolarHBondContact O-N 3.1Å; S513-Y516 PolarHBondContact O-N 3.34Å; S513-A517 PolarHBondContact O-N 2.82Å; S513-G518 PolarHBondContact O-N 3.41Å; S513-T519 CarbonylContact C-O 3.51Å; S513-T519 WeakPolarHBondContact CB-O 3.44Å; S513-R547 PolarHBondContact OG-NH2 3.34Å |
| 514 | R | 87.3 | Confident | 83.2 | Confident | 61 Ų | 61 | 16.1 Ų | 16.1 | 23% | 0.23 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 173 | -76.9 | -174.9 | -70 | -90.6 | 2.9 | 111.9 | D510 S511 G518 T519 R558 | D510-R514 WeakPolarHBondContact O-CG 3.3Å; D510-R514 PolarHBondContact O-N 3.28Å; S511-R514 PolarHBondContact O-N 3.46Å; S511-R514 PolarHBondContact OG-NH2 3.08Å; R514-G518 VanDerWaalsContact O-CA 3.31Å; R514-G518 WeakPolarHBondContact O-CA 3.41Å; R514-G518 PolarHBondContact O-N 2.93Å; R514-T519 VanDerWaalsContact CA-O 3.29Å; R514-T519 WeakPolarHBondContact CA-O 3.46Å; R514-T519 PolarHBondContact N-O 3.05Å; R514-R558 PolarHBondContact O-NH2 2.87Å |
| 515 | Q | 87.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -72.4 | -28.8 | -179.9 | -70.4 | 161.5 | 27.5 | 0 | 0 | 114.2 | S175 Q236 G237 R284 S511 I512 S513 | S175-Q515 WeakPolarHBondContact OG-CG 3.29Å; S175-Q515 PolarHBondContact OG-NE2 3.43Å; Q236-Q515 HydrophobicContact CG-CG 4.44Å; G237-Q515 PolarHBondContact O-NE2 3.12Å; R284-Q515 PolarHBondContact NH1-O 3.08Å; R284-Q515 PolarHBondContact NH2-O 3.33Å; R284-Q515 VanDerWaalsContact NH2-O 3.11Å; S511-Q515 WeakPolarHBondContact O-CG 3.43Å; S511-Q515 PolarHBondContact O-N 3.38Å; S511-Q515 PolarHBondContact O-NE2 3.27Å; I512-Q515 WeakPolarHBondContact O-CB 3.38Å; I512-Q515 PolarHBondContact O-N 3.29Å; S513-Q515 VanDerWaalsContact C-N 3.25Å; S513-Q515 PolarHBondContact O-N 3.1Å |
| 516 | Y | 81.2 | Confident | 79.9 | Confident | 34 Ų | 34 | 18.5 Ų | 18.5 | 13% | 0.133 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -103.3 | -36.8 | -174 | 176.1 | -117.1 | 0 | 0 | 0 | 114 | M291 R292 R296 N306 I512 S513 | M291-Y516 WeakPolarHBondContact CE-O 3.36Å; R292-Y516 HydrophobicContact CB-CD1 4.31Å; R292-Y516 HydrophobicContact CB-CE1 3.9Å; R292-Y516 HydrophobicContact CB-CE2 4.13Å; R292-Y516 HydrophobicContact CG-CE1 3.77Å; R292-Y516 PolarHBondContact N-O 3.5Å; R296-Y516 PolarHBondContact NH1-OH 2.7Å; N306-Y516 HydrophobicContact CB-CD2 4.12Å; N306-Y516 HydrophobicContact CB-CE2 4.21Å; N306-Y516 WeakPolarHBondContact ND2-CE2 3.46Å; I512-Y516 WeakPolarHBondContact O-CB 3.41Å; I512-Y516 PolarHBondContact O-N 3.23Å; I512-Y516 VanDerWaalsContact O-N 3.15Å; S513-Y516 PolarHBondContact O-N 3.34Å |
| 517 | A | 80.4 | Confident | 78.7 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -129.1 | 6.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S513 T519 R547 | S513-A517 PolarHBondContact O-N 2.82Å; A517-T519 PolarHBondContact O-N 3.32Å; A517-T519 VanDerWaalsContact O-N 3.14Å; A517-R547 HydrophobicContact CB-CG 4.43Å |
| 518 | G | 79.3 | Confident | 77.8 | Confident | 26 Ų | 26 | 20 Ų | 20 | 27% | 0.268 | 11% | 0.107 | S | C | . | . | S | Bend | trans | 72.7 | 0.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S513 R514 L550 | S513-G518 PolarHBondContact O-N 3.41Å; R514-G518 VanDerWaalsContact O-CA 3.31Å; R514-G518 WeakPolarHBondContact O-CA 3.41Å; R514-G518 PolarHBondContact O-N 2.93Å; G518-L550 VanDerWaalsContact O-CD1 3.3Å; G518-L550 WeakPolarHBondContact O-CD1 3.3Å |
| 519 | T | 75.2 | Confident | 76 | Confident | 10 Ų | 10 | 23 Ų | 23 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -130.6 | 169.6 | 177.6 | 74.3 | 0 | 0 | 0 | 0 | 111.3 | S513 R514 A517 N546 R547 L550 | S513-T519 CarbonylContact C-O 3.51Å; S513-T519 WeakPolarHBondContact CB-O 3.44Å; R514-T519 VanDerWaalsContact CA-O 3.29Å; R514-T519 WeakPolarHBondContact CA-O 3.46Å; R514-T519 PolarHBondContact N-O 3.05Å; A517-T519 PolarHBondContact O-N 3.32Å; A517-T519 VanDerWaalsContact O-N 3.14Å; T519-N546 HydrophobicContact CG2-CB 3.82Å; T519-R547 HydrophobicContact CG2-CB 4.46Å; T519-R547 HydrophobicContact CG2-CG 3.62Å; T519-R547 VanDerWaalsContact OG1-CG 3.29Å; T519-R547 WeakPolarHBondContact OG1-CG 3.29Å; T519-R547 PolarHBondContact OG1-NE 3.01Å; T519-L550 HydrophobicContact CG2-CD1 3.86Å |
| 520 | A | 75.6 | Confident | 74.4 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 167.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D510 R547 | D510-A520 WeakPolarHBondContact OD1-CB 3.45Å; A520-R547 PolarHBondContact O-NH2 2.99Å |
| 521 | A | 71.6 | Confident | 72.9 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 154.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D463 D510 N543 | D463-A521 VanDerWaalsContact OD1-CA 3.31Å; D463-A521 WeakPolarHBondContact OD1-CA 3.31Å; D463-A521 WeakPolarHBondContact OD1-CB 3.49Å; D510-A521 WeakPolarHBondContact OD1-CB 3.3Å; D510-A521 PolarHBondContact OD1-N 2.99Å; A521-N543 PolarHBondContact O-ND2 3.32Å |
| 522 | L | 69.4 | Low | 71.5 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -87.7 | 153.9 | 159.5 | -60.2 | 172 | 0 | 0 | 0 | 108.1 | D463 G524 D540 N543 | D463-L522 WeakPolarHBondContact CB-O 3.47Å; D463-L522 VanDerWaalsContact CG-N 3.32Å; D463-L522 PolarHBondContact OD1-N 2.93Å; D463-L522 WeakPolarHBondContact OD2-CB 3.48Å; L522-G524 PolarHBondContact O-N 3.45Å; L522-G524 VanDerWaalsContact O-N 3.1Å; L522-D540 VanDerWaalsContact CA-OD1 3.25Å; L522-D540 WeakPolarHBondContact CA-OD1 3.22Å; L522-D540 HydrophobicContact CD2-CB 3.79Å; L522-D540 VanDerWaalsContact CD2-O 3.28Å; L522-D540 WeakPolarHBondContact CD2-O 3.49Å; L522-N543 HydrophobicContact CD2-CB 3.61Å |
| 523 | K | 65.9 | Low | 70.3 | Confident | 53 Ų | 53 | 37.5 Ų | 37.5 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 57.7 | 21.3 | -175.6 | -50.8 | 168.8 | 166.5 | -169.1 | 0 | 113.1 | F419 D525 F526 T527 D540 | F419-K523 HydrophobicContact CE1-CD 4.08Å; F419-K523 HydrophobicContact CZ-CD 3.71Å; F419-K523 HydrophobicContact CZ-CG 4.47Å; K523-D525 WeakPolarHBondContact CA-OD1 3.23Å; K523-D525 PolarHBondContact O-N 2.93Å; K523-F526 PolarHBondContact O-N 3.4Å; K523-T527 PolarHBondContact O-N 2.84Å; K523-D540 VanDerWaalsContact N-CG 3.35Å; K523-D540 PolarHBondContact N-OD1 3.49Å; K523-D540 VanDerWaalsContact N-OD1 3.09Å; K523-D540 PolarHBondContact N-OD2 2.89Å |
| 524 | G | 57.8 | Low | 68.7 | Low | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -1.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L522 R528 | L522-G524 PolarHBondContact O-N 3.45Å; L522-G524 VanDerWaalsContact O-N 3.1Å; G524-R528 PolarHBondContact O-NE 3.36Å |
| 525 | D | 58.9 | Low | 67.1 | Low | 26 Ų | 26 | 45.8 Ų | 45.8 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -52.6 | 163.4 | 61.9 | -29.8 | 0 | 0 | 0 | 110.7 | K523 T527 R528 T529 R532 K533 | K523-D525 WeakPolarHBondContact CA-OD1 3.23Å; K523-D525 PolarHBondContact O-N 2.93Å; D525-T527 VanDerWaalsContact C-N 3.26Å; D525-T527 PolarHBondContact O-N 2.79Å; D525-T527 VanDerWaalsContact O-N 3.17Å; D525-R528 WeakPolarHBondContact O-CA 3.2Å; D525-R528 PolarHBondContact O-N 2.97Å; D525-T529 PolarHBondContact O-N 3.4Å; D525-T529 VanDerWaalsContact O-N 3.16Å; D525-T529 PolarHBondContact O-OG1 2.85Å; D525-T529 VanDerWaalsContact O-OG1 3.09Å; D525-R532 WeakPolarHBondContact OD2-CA 3.32Å; D525-R532 WeakPolarHBondContact OD2-CG 3.47Å; D525-K533 PolarHBondContact OD2-N 3.48Å |
| 526 | F | 59.9 | Low | 65.8 | Low | 29 Ų | 29 | 46.2 Ų | 46.2 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.1 | -43.9 | 178.4 | 168.4 | -96.6 | 0 | 0 | 0 | 112.6 | F419 V467 K523 R528 T529 G530 E531 | F419-F526 HydrophobicContact CB-CD1 4.37Å; F419-F526 HydrophobicContact CB-CD2 4.08Å; F419-F526 HydrophobicContact CB-CE1 3.71Å; F419-F526 HydrophobicContact CB-CE2 3.34Å; F419-F526 HydrophobicContact CB-CZ 3.15Å; F419-F526 HydrophobicContact CD1-CD1 4.31Å; F419-F526 HydrophobicContact CD1-CE1 4.21Å; F419-F526 HydrophobicContact CD1-CZ 4.48Å; F419-F526 HydrophobicContact CD2-CD1 4.07Å; F419-F526 AromaticContact CD2-CD2 3.39Å; F419-F526 HydrophobicContact CD2-CD2 3.39Å; F419-F526 HydrophobicContact CD2-CE1 4.25Å; F419-F526 AromaticContact CD2-CE2 3.59Å; F419-F526 HydrophobicContact CD2-CE2 3.59Å; F419-F526 AromaticContact CD2-CG 3.67Å; F419-F526 HydrophobicContact CD2-CG 3.67Å; F419-F526 HydrophobicContact CD2-CZ 4.05Å; F419-F526 HydrophobicContact CE2-CB 4.33Å; F419-F526 HydrophobicContact CE2-CD1 4.42Å; F419-F526 HydrophobicContact CE2-CD2 4.02Å; F419-F526 AromaticContact CE2-CG 3.94Å; F419-F526 HydrophobicContact CE2-CG 3.94Å; F419-F526 HydrophobicContact CG-CD1 4.02Å; F419-F526 AromaticContact CG-CD2 3.93Å; F419-F526 HydrophobicContact CG-CD2 3.93Å; F419-F526 AromaticContact CG-CE1 3.83Å; F419-F526 HydrophobicContact CG-CE1 3.83Å; F419-F526 AromaticContact CG-CE2 3.72Å; F419-F526 HydrophobicContact CG-CE2 3.72Å; F419-F526 HydrophobicContact CG-CG 4.1Å; F419-F526 AromaticContact CG-CZ 3.7Å; F419-F526 HydrophobicContact CG-CZ 3.7Å; V467-F526 HydrophobicContact CG1-CE1 3.86Å; V467-F526 HydrophobicContact CG2-CD1 4.01Å; V467-F526 HydrophobicContact CG2-CE1 3.95Å; K523-F526 PolarHBondContact O-N 3.4Å; F526-R528 PolarHBondContact O-N 3.29Å; F526-R528 VanDerWaalsContact O-N 3.16Å; F526-T529 PolarHBondContact O-N 2.94Å; F526-G530 VanDerWaalsContact CD2-O 3.26Å; F526-G530 WeakPolarHBondContact CD2-O 3.33Å; F526-G530 WeakPolarHBondContact CE2-O 3.24Å; F526-G530 WeakPolarHBondContact O-CA 3.31Å; F526-G530 PolarHBondContact O-N 2.71Å; F526-E531 WeakPolarHBondContact CA-O 3.4Å |
| 527 | T | 64.6 | Low | 65 | Low | 20 Ų | 20 | 47.6 Ų | 47.6 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -22.3 | -179.9 | -48.5 | 0 | 0 | 0 | 0 | 112.9 | Q502 W505 A506 K523 D525 | Q502-T527 CarbonylContact C-O 3.58Å; Q502-T527 WeakPolarHBondContact CA-O 3.31Å; Q502-T527 VanDerWaalsContact CB-O 3.24Å; Q502-T527 WeakPolarHBondContact CB-O 3.31Å; Q502-T527 VanDerWaalsContact O-O 3.1Å; W505-T527 HydrophobicContact CB-CG2 4.2Å; A506-T527 HydrophobicContact CB-CG2 3.85Å; K523-T527 PolarHBondContact O-N 2.84Å; D525-T527 VanDerWaalsContact C-N 3.26Å; D525-T527 PolarHBondContact O-N 2.79Å; D525-T527 VanDerWaalsContact O-N 3.17Å |
| 528 | R | 75.3 | Confident | 64 | Low | 57 Ų | 57 | 54.4 Ų | 54.4 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -94.9 | -23.5 | -179.9 | -63.6 | 179.2 | -141.9 | -100.4 | -8.5 | 114.7 | Q502 A506 N507 D510 G524 D525 F526 | Q502-R528 PolarHBondContact OE1-O 3.4Å; A506-R528 HydrophobicContact CB-CB 4.49Å; A506-R528 HydrophobicContact CB-CG 3.24Å; N507-R528 PolarHBondContact OD1-NH1 3.12Å; D510-R528 IonicContact OD1-NH2 3.89Å; D510-R528 IonicContact OD2-CZ 2.76Å; D510-R528 IonicContact OD2-NH2 3.94Å; D510-R528 PolarHBondContact OD2-NH2 2.84Å; G524-R528 PolarHBondContact O-NE 3.36Å; D525-R528 WeakPolarHBondContact O-CA 3.2Å; D525-R528 PolarHBondContact O-N 2.97Å; F526-R528 PolarHBondContact O-N 3.29Å; F526-R528 VanDerWaalsContact O-N 3.16Å |
| 529 | T | 55.3 | Low | 63.4 | Low | 62 Ų | 62 | 58.7 Ų | 58.7 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -130.2 | -4.6 | -170 | 45.6 | 0 | 0 | 0 | 0 | 114.9 | D525 F526 E531 | D525-T529 PolarHBondContact O-N 3.4Å; D525-T529 VanDerWaalsContact O-N 3.16Å; D525-T529 PolarHBondContact O-OG1 2.85Å; D525-T529 VanDerWaalsContact O-OG1 3.09Å; F526-T529 PolarHBondContact O-N 2.94Å; T529-E531 PolarHBondContact O-N 3.41Å; T529-E531 PolarHBondContact OG1-O 3.37Å |
| 530 | G | 57.4 | Low | 63.2 | Low | 35 Ų | 35 | 58.8 Ų | 58.8 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 68.4 | -14.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F526 | F526-G530 VanDerWaalsContact CD2-O 3.26Å; F526-G530 WeakPolarHBondContact CD2-O 3.33Å; F526-G530 WeakPolarHBondContact CE2-O 3.24Å; F526-G530 WeakPolarHBondContact O-CA 3.31Å; F526-G530 PolarHBondContact O-N 2.71Å |
| 531 | E | 58.7 | Low | 62.7 | Low | 122 Ų | 122 | 60 Ų | 60 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -118.9 | 156.9 | 178.4 | -58.7 | 179.3 | 146.6 | 0 | 0 | 111.3 | F526 T529 K533 | F526-E531 WeakPolarHBondContact CA-O 3.4Å; T529-E531 PolarHBondContact O-N 3.41Å; T529-E531 PolarHBondContact OG1-O 3.37Å; E531-K533 WeakPolarHBondContact OE2-CE 3.35Å; E531-K533 IonicContact OE2-NZ 3.38Å |
| 532 | R | 60.3 | Low | 62.6 | Low | 72 Ų | 72 | 63.4 Ų | 63.4 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | trans | -104.7 | 127.6 | 173.5 | -154.8 | -177 | -174.1 | -140.9 | 2.9 | 111 | D525 D540 | D525-R532 WeakPolarHBondContact OD2-CA 3.32Å; D525-R532 WeakPolarHBondContact OD2-CG 3.47Å; R532-D540 IonicContact CZ-OD2 3.56Å; R532-D540 IonicContact NE-OD2 2.72Å; R532-D540 IonicContact NH2-OD2 2.71Å; R532-D540 PolarHBondContact NH2-OD2 3.44Å | ||
| 533 | K | 65.8 | Low | 62.7 | Low | 107 Ų | 107 | 62.6 Ų | 62.6 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | trans | -109.2 | 148.9 | -173.2 | -57 | -166 | 179.4 | -162 | 0 | 111.1 | D525 E531 A535 G536 V537 | D525-K533 PolarHBondContact OD2-N 3.48Å; E531-K533 WeakPolarHBondContact OE2-CE 3.35Å; E531-K533 IonicContact OE2-NZ 3.38Å; K533-A535 VanDerWaalsContact C-N 3.26Å; K533-A535 PolarHBondContact O-N 2.74Å; K533-G536 VanDerWaalsContact O-CA 3.29Å; K533-G536 WeakPolarHBondContact O-CA 3.47Å; K533-G536 PolarHBondContact O-N 2.67Å; K533-V537 PolarHBondContact O-N 2.91Å; K533-V537 VanDerWaalsContact O-N 3.11Å | ||
| 534 | L | 56.7 | Low | 62.8 | Low | 158 Ų | 158 | 61.1 Ų | 61.1 | 83% | 0.827 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54 | -41.6 | -175.4 | -170.8 | 75.8 | 0 | 0 | 0 | 112.7 | G536 V537 M538 | L534-G536 VanDerWaalsContact C-N 3.29Å; L534-G536 PolarHBondContact O-N 2.93Å; L534-V537 WeakPolarHBondContact O-CB 3.25Å; L534-V537 PolarHBondContact O-N 2.73Å; L534-V537 VanDerWaalsContact O-N 3.14Å; L534-M538 PolarHBondContact O-N 3.47Å; L534-M538 VanDerWaalsContact O-N 3.1Å |
| 535 | A | 52.6 | Low | 63.2 | Low | 78 Ų | 78 | 63.5 Ų | 63.5 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.2 | -32 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K533 M538 K539 | K533-A535 VanDerWaalsContact C-N 3.26Å; K533-A535 PolarHBondContact O-N 2.74Å; A535-M538 PolarHBondContact O-N 2.76Å; A535-K539 WeakPolarHBondContact O-CB 3.25Å; A535-K539 PolarHBondContact O-N 3.35Å |
| 536 | G | 59.5 | Low | 63.8 | Low | 10 Ų | 10 | 65.9 Ų | 65.9 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K533 L534 M538 K539 D540 | K533-G536 VanDerWaalsContact O-CA 3.29Å; K533-G536 WeakPolarHBondContact O-CA 3.47Å; K533-G536 PolarHBondContact O-N 2.67Å; L534-G536 VanDerWaalsContact C-N 3.29Å; L534-G536 PolarHBondContact O-N 2.93Å; G536-M538 VanDerWaalsContact C-N 3.34Å; G536-M538 PolarHBondContact O-N 3.4Å; G536-K539 PolarHBondContact O-N 3.26Å; G536-D540 WeakPolarHBondContact O-CB 3.42Å; G536-D540 PolarHBondContact O-N 2.75Å |
| 537 | V | 64.4 | Low | 64.6 | Low | 64 Ų | 64 | 65.4 Ų | 65.4 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 173.6 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | K533 L534 D540 G541 | K533-V537 PolarHBondContact O-N 2.91Å; K533-V537 VanDerWaalsContact O-N 3.11Å; L534-V537 WeakPolarHBondContact O-CB 3.25Å; L534-V537 PolarHBondContact O-N 2.73Å; L534-V537 VanDerWaalsContact O-N 3.14Å; V537-D540 PolarHBondContact O-N 2.72Å; V537-G541 PolarHBondContact O-N 3Å |
| 538 | M | 60.9 | Low | 64.8 | Low | 147 Ų | 147 | 68.6 Ų | 68.6 | 72% | 0.724 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 175.8 | -171 | 179.1 | -178.3 | 0 | 0 | 112.1 | L534 A535 G536 D540 G541 V542 | L534-M538 PolarHBondContact O-N 3.47Å; L534-M538 VanDerWaalsContact O-N 3.1Å; A535-M538 PolarHBondContact O-N 2.76Å; G536-M538 VanDerWaalsContact C-N 3.34Å; G536-M538 PolarHBondContact O-N 3.4Å; M538-D540 VanDerWaalsContact C-N 3.33Å; M538-D540 PolarHBondContact O-N 3.21Å; M538-G541 PolarHBondContact O-N 3.39Å; M538-G541 VanDerWaalsContact O-N 3.14Å; M538-V542 PolarHBondContact O-N 3.36Å; M538-V542 VanDerWaalsContact O-N 3.1Å |
| 539 | K | 66.1 | Low | 64.6 | Low | 116 Ų | 116 | 71.7 Ų | 71.7 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.5 | -174.4 | -179.7 | 178.2 | -175.5 | 0 | 111.8 | A535 G536 G541 V542 N543 | A535-K539 WeakPolarHBondContact O-CB 3.25Å; A535-K539 PolarHBondContact O-N 3.35Å; G536-K539 PolarHBondContact O-N 3.26Å; K539-G541 VanDerWaalsContact C-N 3.31Å; K539-G541 PolarHBondContact O-N 2.73Å; K539-V542 PolarHBondContact O-N 3.23Å; K539-N543 WeakPolarHBondContact O-CB 3.34Å; K539-N543 PolarHBondContact O-N 2.99Å |
| 540 | D | 69.6 | Low | 65.5 | Low | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.064 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 174.2 | -83.8 | -0.9 | 0 | 0 | 0 | 112.2 | L522 K523 R532 G536 V537 M538 S544 | L522-D540 VanDerWaalsContact CA-OD1 3.25Å; L522-D540 WeakPolarHBondContact CA-OD1 3.22Å; L522-D540 HydrophobicContact CD2-CB 3.79Å; L522-D540 VanDerWaalsContact CD2-O 3.28Å; L522-D540 WeakPolarHBondContact CD2-O 3.49Å; K523-D540 VanDerWaalsContact N-CG 3.35Å; K523-D540 PolarHBondContact N-OD1 3.49Å; K523-D540 VanDerWaalsContact N-OD1 3.09Å; K523-D540 PolarHBondContact N-OD2 2.89Å; R532-D540 IonicContact CZ-OD2 3.56Å; R532-D540 IonicContact NE-OD2 2.72Å; R532-D540 IonicContact NH2-OD2 2.71Å; R532-D540 PolarHBondContact NH2-OD2 3.44Å; G536-D540 WeakPolarHBondContact O-CB 3.42Å; G536-D540 PolarHBondContact O-N 2.75Å; V537-D540 PolarHBondContact O-N 2.72Å; M538-D540 VanDerWaalsContact C-N 3.33Å; M538-D540 PolarHBondContact O-N 3.21Å; D540-S544 VanDerWaalsContact O-CB 3.23Å; D540-S544 WeakPolarHBondContact O-CB 3.17Å; D540-S544 PolarHBondContact O-N 2.97Å; D540-S544 PolarHBondContact O-OG 3.27Å |
| 541 | G | 66.3 | Low | 66.1 | Low | 41 Ų | 41 | 69.7 Ų | 69.7 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | V537 M538 K539 S544 A545 | V537-G541 PolarHBondContact O-N 3Å; M538-G541 PolarHBondContact O-N 3.39Å; M538-G541 VanDerWaalsContact O-N 3.14Å; K539-G541 VanDerWaalsContact C-N 3.31Å; K539-G541 PolarHBondContact O-N 2.73Å; G541-S544 WeakPolarHBondContact O-CB 3.45Å; G541-S544 PolarHBondContact O-N 2.91Å; G541-A545 PolarHBondContact O-N 3Å |
| 542 | V | 68.4 | Low | 66.5 | Low | 80 Ų | 80 | 66.6 Ų | 66.6 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | M538 K539 S544 A545 N546 | M538-V542 PolarHBondContact O-N 3.36Å; M538-V542 VanDerWaalsContact O-N 3.1Å; K539-V542 PolarHBondContact O-N 3.23Å; V542-S544 VanDerWaalsContact C-N 3.28Å; V542-S544 PolarHBondContact O-N 3.45Å; V542-A545 PolarHBondContact O-N 3.11Å; V542-N546 WeakPolarHBondContact O-CB 3.4Å; V542-N546 PolarHBondContact O-N 3.18Å; V542-N546 PolarHBondContact O-ND2 3.48Å |
| 543 | N | 72.8 | Confident | 66.9 | Low | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 173.5 | -80.6 | -14.8 | 0 | 0 | 0 | 111.5 | A521 L522 K539 N546 R547 | A521-N543 PolarHBondContact O-ND2 3.32Å; L522-N543 HydrophobicContact CD2-CB 3.61Å; K539-N543 WeakPolarHBondContact O-CB 3.34Å; K539-N543 PolarHBondContact O-N 2.99Å; N543-N546 PolarHBondContact O-N 3.24Å; N543-R547 WeakPolarHBondContact O-CB 3.44Å; N543-R547 WeakPolarHBondContact O-CG 3.26Å; N543-R547 PolarHBondContact O-N 3.23Å |
| 544 | S | 68.4 | Low | 67.3 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 178.8 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | Y341 D540 G541 V542 R547 Y548 | Y341-S544 WeakPolarHBondContact OH-CB 3.32Å; D540-S544 VanDerWaalsContact O-CB 3.23Å; D540-S544 WeakPolarHBondContact O-CB 3.17Å; D540-S544 PolarHBondContact O-N 2.97Å; D540-S544 PolarHBondContact O-OG 3.27Å; G541-S544 WeakPolarHBondContact O-CB 3.45Å; G541-S544 PolarHBondContact O-N 2.91Å; V542-S544 VanDerWaalsContact C-N 3.28Å; V542-S544 PolarHBondContact O-N 3.45Å; S544-R547 PolarHBondContact O-N 3.22Å; S544-Y548 PolarHBondContact O-N 2.97Å; S544-Y548 VanDerWaalsContact O-N 3.15Å |
| 545 | A | 65.5 | Low | 68.5 | Low | 58 Ų | 58 | 58.2 Ų | 58.2 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G541 V542 Y548 Y549 | G541-A545 PolarHBondContact O-N 3Å; V542-A545 PolarHBondContact O-N 3.11Å; A545-Y548 PolarHBondContact O-N 2.99Å; A545-Y549 PolarHBondContact O-N 3.15Å |
| 546 | N | 72.2 | Confident | 69.8 | Low | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.4 | -74.8 | -21 | 0 | 0 | 0 | 112 | T519 V542 N543 Y548 Y549 L550 | T519-N546 HydrophobicContact CG2-CB 3.82Å; V542-N546 WeakPolarHBondContact O-CB 3.4Å; V542-N546 PolarHBondContact O-N 3.18Å; V542-N546 PolarHBondContact O-ND2 3.48Å; N543-N546 PolarHBondContact O-N 3.24Å; N546-Y548 PolarHBondContact O-N 3.32Å; N546-Y549 PolarHBondContact O-N 2.82Å; N546-Y549 VanDerWaalsContact O-N 3.15Å; N546-L550 WeakPolarHBondContact O-CB 3.36Å; N546-L550 VanDerWaalsContact O-CG 3.27Å; N546-L550 WeakPolarHBondContact O-CG 3.46Å; N546-L550 PolarHBondContact O-N 3.23Å |
| 547 | R | 75.8 | Confident | 71 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.9 | -40 | 174.7 | -76.5 | 179.8 | -179.2 | -173.8 | 2.3 | 111.6 | D463 S513 A517 T519 A520 N543 S544 N551 | D463-R547 IonicContact OD1-NH2 2.85Å; D463-R547 PolarHBondContact OD1-NH2 3.2Å; D463-R547 IonicContact OD2-CZ 2.66Å; D463-R547 IonicContact OD2-NH1 2.71Å; D463-R547 PolarHBondContact OD2-NH1 3.3Å; D463-R547 IonicContact OD2-NH2 3.23Å; S513-R547 PolarHBondContact OG-NH2 3.34Å; A517-R547 HydrophobicContact CB-CG 4.43Å; T519-R547 HydrophobicContact CG2-CB 4.46Å; T519-R547 HydrophobicContact CG2-CG 3.62Å; T519-R547 VanDerWaalsContact OG1-CG 3.29Å; T519-R547 WeakPolarHBondContact OG1-CG 3.29Å; T519-R547 PolarHBondContact OG1-NE 3.01Å; A520-R547 PolarHBondContact O-NH2 2.99Å; N543-R547 WeakPolarHBondContact O-CB 3.44Å; N543-R547 WeakPolarHBondContact O-CG 3.26Å; N543-R547 PolarHBondContact O-N 3.23Å; S544-R547 PolarHBondContact O-N 3.22Å; R547-N551 WeakPolarHBondContact O-CB 3.33Å; R547-N551 PolarHBondContact O-N 3.43Å |
| 548 | Y | 68.3 | Low | 72.1 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 176.5 | 176.4 | -106.1 | 0 | 0 | 0 | 113 | Y341 S544 A545 N546 R552 | Y341-Y548 AromaticContact CD2-CD2 3.62Å; Y341-Y548 HydrophobicContact CD2-CD2 3.62Å; Y341-Y548 HydrophobicContact CD2-CE2 4.35Å; Y341-Y548 AromaticContact CD2-CG 3.82Å; Y341-Y548 HydrophobicContact CD2-CG 3.82Å; Y341-Y548 HydrophobicContact CE2-CD2 4.45Å; Y341-Y548 HydrophobicContact CE2-CG 4.33Å; Y341-Y548 HydrophobicContact CG-CD2 4.36Å; S544-Y548 PolarHBondContact O-N 2.97Å; S544-Y548 VanDerWaalsContact O-N 3.15Å; A545-Y548 PolarHBondContact O-N 2.99Å; N546-Y548 PolarHBondContact O-N 3.32Å; Y548-R552 PolarHBondContact O-N 2.72Å; Y548-R552 VanDerWaalsContact O-N 3.12Å; Y548-R552 PolarHBondContact OH-NH2 2.95Å; Y548-R552 VanDerWaalsContact OH-NH2 3.14Å |
| 549 | Y | 72.1 | Confident | 73.4 | Confident | 123 Ų | 123 | 46.6 Ų | 46.6 | 48% | 0.482 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 176.3 | 176.1 | -95.3 | 0 | 0 | 0 | 112.2 | A545 N546 R552 F553 | A545-Y549 PolarHBondContact O-N 3.15Å; N546-Y549 PolarHBondContact O-N 2.82Å; N546-Y549 VanDerWaalsContact O-N 3.15Å; Y549-R552 PolarHBondContact O-N 2.67Å; Y549-F553 AromaticContact CD2-CD2 3.51Å; Y549-F553 HydrophobicContact CD2-CD2 3.51Å; Y549-F553 AromaticContact CD2-CE2 3.86Å; Y549-F553 HydrophobicContact CD2-CE2 3.86Å; Y549-F553 AromaticContact CE2-CD2 3.44Å; Y549-F553 HydrophobicContact CE2-CD2 3.44Å; Y549-F553 VanDerWaalsContact CE2-CD2 3.44Å; Y549-F553 AromaticContact CE2-CE2 3.89Å; Y549-F553 HydrophobicContact CE2-CE2 3.89Å; Y549-F553 HydrophobicContact CE2-CG 4.26Å; Y549-F553 HydrophobicContact CG-CD2 4.24Å; Y549-F553 WeakPolarHBondContact O-CD2 3.25Å; Y549-F553 PolarHBondContact O-N 2.66Å |
| 550 | L | 73.3 | Confident | 74.4 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 179 | -65.7 | 174.7 | 0 | 0 | 0 | 111.4 | G518 T519 N546 R552 F553 K554 D555 | G518-L550 VanDerWaalsContact O-CD1 3.3Å; G518-L550 WeakPolarHBondContact O-CD1 3.3Å; T519-L550 HydrophobicContact CG2-CD1 3.86Å; N546-L550 WeakPolarHBondContact O-CB 3.36Å; N546-L550 VanDerWaalsContact O-CG 3.27Å; N546-L550 WeakPolarHBondContact O-CG 3.46Å; N546-L550 PolarHBondContact O-N 3.23Å; L550-R552 PolarHBondContact O-N 3.3Å; L550-F553 PolarHBondContact O-N 3.18Å; L550-K554 HydrophobicContact CD2-CB 3.93Å; L550-K554 HydrophobicContact CD2-CD 3.7Å; L550-K554 HydrophobicContact CD2-CG 4.02Å; L550-K554 WeakPolarHBondContact O-CA 3.29Å; L550-K554 PolarHBondContact O-N 3.15Å; L550-D555 VanDerWaalsContact C-OD1 3.23Å; L550-D555 PolarHBondContact O-N 3.46Å |
| 551 | N | 69.8 | Low | 75.4 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.8 | -41.2 | 172.7 | 178.5 | 26.7 | 0 | 0 | 0 | 112.6 | Y293 R547 D555 | Y293-N551 HydrophobicContact CD2-CB 4.2Å; Y293-N551 WeakPolarHBondContact CD2-ND2 3.45Å; Y293-N551 WeakPolarHBondContact CD2-OD1 3.27Å; R547-N551 WeakPolarHBondContact O-CB 3.33Å; R547-N551 PolarHBondContact O-N 3.43Å; N551-D555 PolarHBondContact N-OD1 2.63Å |
| 552 | R | 68.6 | Low | 76.5 | Confident | 56 Ų | 56 | 39 Ų | 39 | 21% | 0.211 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.6 | -45.9 | -179.7 | -175.1 | 56.7 | 51.3 | 96.6 | 15.4 | 113.6 | Y339 Y548 Y549 L550 | Y339-R552 PolarHBondContact O-NH2 2.91Å; Y548-R552 PolarHBondContact O-N 2.72Å; Y548-R552 VanDerWaalsContact O-N 3.12Å; Y548-R552 PolarHBondContact OH-NH2 2.95Å; Y548-R552 VanDerWaalsContact OH-NH2 3.14Å; Y549-R552 PolarHBondContact O-N 2.67Å; L550-R552 PolarHBondContact O-N 3.3Å |
| 553 | F | 67.8 | Low | 77.6 | Confident | 99 Ų | 99 | 35.9 Ų | 35.9 | 43% | 0.434 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -120.2 | -17 | -162.9 | -61.2 | -72.3 | 0 | 0 | 0 | 115.5 | Y549 L550 Y557 | Y549-F553 AromaticContact CD2-CD2 3.51Å; Y549-F553 HydrophobicContact CD2-CD2 3.51Å; Y549-F553 AromaticContact CD2-CE2 3.86Å; Y549-F553 HydrophobicContact CD2-CE2 3.86Å; Y549-F553 AromaticContact CE2-CD2 3.44Å; Y549-F553 HydrophobicContact CE2-CD2 3.44Å; Y549-F553 VanDerWaalsContact CE2-CD2 3.44Å; Y549-F553 AromaticContact CE2-CE2 3.89Å; Y549-F553 HydrophobicContact CE2-CE2 3.89Å; Y549-F553 HydrophobicContact CE2-CG 4.26Å; Y549-F553 HydrophobicContact CG-CD2 4.24Å; Y549-F553 WeakPolarHBondContact O-CD2 3.25Å; Y549-F553 PolarHBondContact O-N 2.66Å; L550-F553 PolarHBondContact O-N 3.18Å; F553-Y557 WeakPolarHBondContact O-CD2 3.37Å; F553-Y557 WeakPolarHBondContact O-CE2 3.35Å |
| 554 | K | 74.7 | Confident | 78.4 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 25% | 0.248 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -35.4 | -172.6 | -70.1 | -150 | 171 | -157.6 | 0 | 115.4 | E165 L550 A556 Y557 R558 | E165-K554 IonicContact OE1-NZ 3.74Å; E165-K554 PolarHBondContact OE1-NZ 3.25Å; L550-K554 HydrophobicContact CD2-CB 3.93Å; L550-K554 HydrophobicContact CD2-CD 3.7Å; L550-K554 HydrophobicContact CD2-CG 4.02Å; L550-K554 WeakPolarHBondContact O-CA 3.29Å; L550-K554 PolarHBondContact O-N 3.15Å; K554-A556 PolarHBondContact O-N 3.44Å; K554-Y557 PolarHBondContact O-N 2.87Å; K554-R558 PolarHBondContact O-N 3.22Å |
| 555 | D | 81.2 | Confident | 79.4 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.2 | -25.7 | -178.9 | -79.5 | 25.1 | 0 | 0 | 0 | 112.7 | M291 K294 L550 N551 Q559 | M291-D555 HydrophobicContact CB-CB 3.89Å; M291-D555 HydrophobicContact CE-CB 4.47Å; M291-D555 WeakPolarHBondContact CE-OD1 3.3Å; M291-D555 HydrophobicContact CG-CB 4.06Å; K294-D555 HydrophobicContact CG-CB 4.41Å; L550-D555 VanDerWaalsContact C-OD1 3.23Å; L550-D555 PolarHBondContact O-N 3.46Å; N551-D555 PolarHBondContact N-OD1 2.63Å; D555-Q559 VanDerWaalsContact O-CB 3.23Å; D555-Q559 WeakPolarHBondContact O-CB 3.49Å; D555-Q559 PolarHBondContact O-N 2.99Å |
| 556 | A | 80.8 | Confident | 80.6 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -50.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | K554 Q559 A560 I577 | K554-A556 PolarHBondContact O-N 3.44Å; A556-Q559 PolarHBondContact O-N 3.48Å; A556-A560 PolarHBondContact O-N 3.05Å; A556-I577 HydrophobicContact CB-CD1 3.78Å; A556-I577 HydrophobicContact CB-CG1 4.23Å; A556-I577 HydrophobicContact CB-CG2 4.32Å |
| 557 | Y | 84.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.3 | -60.7 | -78.1 | 0 | 0 | 0 | 111.4 | L158 R161 L162 F553 K554 A560 V561 F578 | L158-Y557 HydrophobicContact CD1-CD1 4.44Å; L158-Y557 HydrophobicContact CD1-CE1 4.22Å; R161-Y557 HydrophobicContact CB-CD1 4.12Å; R161-Y557 HydrophobicContact CB-CE1 4.19Å; R161-Y557 PolarHBondContact NH1-OH 2.74Å; L162-Y557 HydrophobicContact CD2-CD1 4.45Å; F553-Y557 WeakPolarHBondContact O-CD2 3.37Å; F553-Y557 WeakPolarHBondContact O-CE2 3.35Å; K554-Y557 PolarHBondContact O-N 2.87Å; Y557-A560 PolarHBondContact O-N 3.29Å; Y557-V561 WeakPolarHBondContact O-CG2 3.28Å; Y557-V561 PolarHBondContact O-N 2.83Å; Y557-F578 HydrophobicContact CE1-CZ 4.43Å |
| 558 | R | 87.9 | Confident | 81.8 | Confident | 22 Ų | 22 | 33 Ų | 33 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | 176.9 | -166.1 | 169.5 | 173.5 | 113.1 | -4 | 112.3 | M169 S173 M291 R514 K554 I562 | M169-R558 HydrophobicContact CG-CG 4.13Å; M169-R558 HydrophobicContact SD-CG 3.83Å; S173-R558 PolarHBondContact OG-NH1 3.06Å; S173-R558 PolarHBondContact OG-NH2 3.41Å; M291-R558 HydrophobicContact CG-CB 4.26Å; M291-R558 HydrophobicContact CG-CG 4.41Å; M291-R558 HydrophobicContact SD-CB 4.25Å; M291-R558 HydrophobicContact SD-CG 3.8Å; R514-R558 PolarHBondContact O-NH2 2.87Å; K554-R558 PolarHBondContact O-N 3.22Å; R558-I562 VanDerWaalsContact O-CG1 3.3Å; R558-I562 WeakPolarHBondContact O-CG1 3.27Å; R558-I562 PolarHBondContact O-N 3.37Å; R558-I562 VanDerWaalsContact O-N 3.1Å |
| 559 | Q | 88.2 | Confident | 81.9 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 169.7 | -174.4 | 67.3 | 50.5 | 0 | 0 | 111.4 | A289 M291 K294 D555 A556 V561 I562 D563 | A289-Q559 PolarHBondContact O-NE2 3.28Å; A289-Q559 VanDerWaalsContact O-NE2 3.08Å; M291-Q559 HydrophobicContact CG-CB 4.49Å; K294-Q559 HydrophobicContact CB-CB 4.34Å; K294-Q559 HydrophobicContact CB-CG 4.15Å; K294-Q559 HydrophobicContact CG-CB 4.35Å; D555-Q559 VanDerWaalsContact O-CB 3.23Å; D555-Q559 WeakPolarHBondContact O-CB 3.49Å; D555-Q559 PolarHBondContact O-N 2.99Å; A556-Q559 PolarHBondContact O-N 3.48Å; Q559-V561 VanDerWaalsContact C-N 3.33Å; Q559-V561 PolarHBondContact O-N 3.45Å; Q559-I562 WeakPolarHBondContact O-CB 3.41Å; Q559-I562 PolarHBondContact O-N 2.94Å; Q559-I562 VanDerWaalsContact O-N 3.15Å; Q559-D563 PolarHBondContact NE2-OD1 2.85Å; Q559-D563 WeakPolarHBondContact O-CB 3.48Å; Q559-D563 VanDerWaalsContact O-CG 3.28Å; Q559-D563 PolarHBondContact O-N 3.02Å |
| 560 | A | 86.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L162 A556 Y557 D563 L564 V570 L574 | L162-A560 HydrophobicContact CD2-CB 3.9Å; A556-A560 PolarHBondContact O-N 3.05Å; Y557-A560 PolarHBondContact O-N 3.29Å; A560-D563 PolarHBondContact O-N 3.37Å; A560-L564 WeakPolarHBondContact O-CB 3.46Å; A560-L564 WeakPolarHBondContact O-CG 3.45Å; A560-L564 PolarHBondContact O-N 2.79Å; A560-V570 HydrophobicContact CB-CG1 4.05Å; A560-V570 HydrophobicContact CB-CG2 4.34Å; A560-L574 HydrophobicContact CB-CD1 4Å; A560-L574 HydrophobicContact CB-CD2 4.05Å; A560-L574 HydrophobicContact CB-CG 4.09Å |
| 561 | V | 89.6 | Confident | 80.8 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 112 | L162 E165 L166 M169 Y557 Q559 M565 | L162-V561 HydrophobicContact CB-CG2 4.32Å; L162-V561 HydrophobicContact CD2-CG2 3.9Å; E165-V561 HydrophobicContact CB-CG2 4.45Å; L166-V561 HydrophobicContact CB-CG1 3.9Å; L166-V561 HydrophobicContact CB-CG2 4.46Å; L166-V561 HydrophobicContact CD1-CG1 3.73Å; L166-V561 HydrophobicContact CG-CG1 4.43Å; M169-V561 HydrophobicContact CE-CG1 4.09Å; M169-V561 HydrophobicContact SD-CB 3.91Å; M169-V561 HydrophobicContact SD-CG1 3.56Å; M169-V561 VanDerWaalsContact SD-CG1 3.56Å; Y557-V561 WeakPolarHBondContact O-CG2 3.28Å; Y557-V561 PolarHBondContact O-N 2.83Å; Q559-V561 VanDerWaalsContact C-N 3.33Å; Q559-V561 PolarHBondContact O-N 3.45Å; V561-M565 HydrophobicContact CG1-CG 4.44Å; V561-M565 HydrophobicContact CG1-SD 4.16Å; V561-M565 WeakPolarHBondContact O-CB 3.29Å; V561-M565 VanDerWaalsContact O-CG 3.26Å; V561-M565 WeakPolarHBondContact O-CG 3.34Å; V561-M565 PolarHBondContact O-N 3.1Å |
| 562 | I | 91.1 | Very high | 79.9 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 173.8 | -70.5 | 164.8 | 0 | 0 | 0 | 110.7 | M169 W211 A289 M291 R558 Q559 M565 Q566 | M169-I562 HydrophobicContact CE-CG1 3.61Å; M169-I562 HydrophobicContact SD-CG1 4.1Å; W211-I562 HydrophobicContact CZ2-CG2 4.39Å; A289-I562 HydrophobicContact CB-CG2 3.82Å; M291-I562 HydrophobicContact SD-CD1 4.33Å; R558-I562 VanDerWaalsContact O-CG1 3.3Å; R558-I562 WeakPolarHBondContact O-CG1 3.27Å; R558-I562 PolarHBondContact O-N 3.37Å; R558-I562 VanDerWaalsContact O-N 3.1Å; Q559-I562 WeakPolarHBondContact O-CB 3.41Å; Q559-I562 PolarHBondContact O-N 2.94Å; Q559-I562 VanDerWaalsContact O-N 3.15Å; I562-M565 PolarHBondContact O-N 2.97Å; I562-Q566 WeakPolarHBondContact O-CG 3.29Å; I562-Q566 PolarHBondContact O-N 3.32Å |
| 563 | D | 90 | Very high | 79.2 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | -178.1 | -70.9 | -13.2 | 0 | 0 | 0 | 110.9 | R295 Q559 A560 M565 Q566 G567 I568 V570 | R295-D563 IonicContact CZ-OD1 2.74Å; R295-D563 IonicContact CZ-OD2 2.87Å; R295-D563 IonicContact NE-OD1 3.22Å; R295-D563 IonicContact NH2-OD1 2.61Å; R295-D563 PolarHBondContact NH2-OD1 3.33Å; R295-D563 IonicContact NH2-OD2 2.63Å; R295-D563 PolarHBondContact NH2-OD2 3.25Å; Q559-D563 PolarHBondContact NE2-OD1 2.85Å; Q559-D563 WeakPolarHBondContact O-CB 3.48Å; Q559-D563 VanDerWaalsContact O-CG 3.28Å; Q559-D563 PolarHBondContact O-N 3.02Å; A560-D563 PolarHBondContact O-N 3.37Å; D563-M565 PolarHBondContact O-N 2.79Å; D563-Q566 CarbonylContact O-C 3.55Å; D563-Q566 PolarHBondContact O-N 3.26Å; D563-Q566 VanDerWaalsContact O-N 3.08Å; D563-G567 PolarHBondContact O-N 3.15Å; D563-G567 VanDerWaalsContact O-N 3.15Å; D563-I568 CarbonylContact C-O 3.57Å; D563-I568 HydrophobicContact CB-CB 3.97Å; D563-I568 HydrophobicContact CB-CG2 4.22Å; D563-I568 WeakPolarHBondContact O-CB 3.34Å; D563-I568 PolarHBondContact O-N 2.87Å; D563-V570 HydrophobicContact CB-CG2 3.71Å |
| 564 | L | 89.1 | Confident | 78.7 | Confident | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.9 | -68.5 | 168.4 | 0 | 0 | 0 | 112.9 | I55 L57 L162 A560 Q566 G567 V570 | I55-L564 HydrophobicContact CD1-CB 3.79Å; I55-L564 HydrophobicContact CG1-CB 4.18Å; L57-L564 HydrophobicContact CD2-CD1 3.77Å; L162-L564 HydrophobicContact CD1-CD1 4.22Å; A560-L564 WeakPolarHBondContact O-CB 3.46Å; A560-L564 WeakPolarHBondContact O-CG 3.45Å; A560-L564 PolarHBondContact O-N 2.79Å; L564-Q566 PolarHBondContact O-N 3.24Å; L564-G567 PolarHBondContact O-N 2.69Å; L564-V570 HydrophobicContact CD2-CB 4.34Å; L564-V570 HydrophobicContact CD2-CG2 3.83Å; L564-V570 HydrophobicContact CG-CG2 3.68Å |
| 565 | M | 90.9 | Very high | 77.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -22.4 | 175.2 | -73.8 | 178.2 | 75.7 | 0 | 0 | 112.8 | I55 L166 M169 F170 F176 M215 V561 I562 D563 | I55-M565 HydrophobicContact CD1-CG 3.87Å; L166-M565 HydrophobicContact CD1-SD 4.05Å; M169-M565 HydrophobicContact CE-SD 3.69Å; F170-M565 HydrophobicContact CE2-CE 3.68Å; F170-M565 HydrophobicContact CE2-SD 4.27Å; F170-M565 HydrophobicContact CZ-CE 3.59Å; F176-M565 HydrophobicContact CE1-CE 4.28Å; F176-M565 HydrophobicContact CZ-CE 3.91Å; M215-M565 HydrophobicContact CE-CE 4.27Å; M215-M565 HydrophobicContact CE-CG 4.37Å; M215-M565 WeakPolarHBondContact CG-O 3.31Å; M215-M565 HydrophobicContact SD-CB 4Å; M215-M565 HydrophobicContact SD-CE 3.57Å; M215-M565 VanDerWaalsContact SD-CE 3.57Å; M215-M565 HydrophobicContact SD-CG 3.92Å; V561-M565 HydrophobicContact CG1-CG 4.44Å; V561-M565 HydrophobicContact CG1-SD 4.16Å; V561-M565 WeakPolarHBondContact O-CB 3.29Å; V561-M565 VanDerWaalsContact O-CG 3.26Å; V561-M565 WeakPolarHBondContact O-CG 3.34Å; V561-M565 PolarHBondContact O-N 3.1Å; I562-M565 PolarHBondContact O-N 2.97Å; D563-M565 PolarHBondContact O-N 2.79Å |
| 566 | Q | 90.5 | Very high | 76.4 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.1 | 178.5 | -59.8 | -50.8 | -23.4 | 0 | 0 | 114.3 | W211 I562 D563 L564 I568 | W211-Q566 VanDerWaalsContact NE1-NE2 3.16Å; W211-Q566 PolarHBondContact O-NE2 3.14Å; W211-Q566 PolarHBondContact O-OE1 3.32Å; I562-Q566 WeakPolarHBondContact O-CG 3.29Å; I562-Q566 PolarHBondContact O-N 3.32Å; D563-Q566 CarbonylContact O-C 3.55Å; D563-Q566 PolarHBondContact O-N 3.26Å; D563-Q566 VanDerWaalsContact O-N 3.08Å; L564-Q566 PolarHBondContact O-N 3.24Å; Q566-I568 HydrophobicContact CB-CD1 4.43Å; Q566-I568 HydrophobicContact CB-CG1 4.39Å; Q566-I568 PolarHBondContact O-N 3.09Å |
| 567 | G | 87.1 | Confident | 75.1 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 13.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D563 L564 P569 | D563-G567 PolarHBondContact O-N 3.15Å; D563-G567 VanDerWaalsContact O-N 3.15Å; L564-G567 PolarHBondContact O-N 2.69Å; G567-P569 WeakPolarHBondContact O-CD 3.47Å |
| 568 | I | 84.7 | Confident | 73.7 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | trans | -78.9 | 116.4 | 172.7 | -59.1 | 173.6 | 0 | 0 | 0 | 106.7 | D563 Q566 V570 | D563-I568 CarbonylContact C-O 3.57Å; D563-I568 HydrophobicContact CB-CB 3.97Å; D563-I568 HydrophobicContact CB-CG2 4.22Å; D563-I568 WeakPolarHBondContact O-CB 3.34Å; D563-I568 PolarHBondContact O-N 2.87Å; Q566-I568 HydrophobicContact CB-CD1 4.43Å; Q566-I568 HydrophobicContact CB-CG1 4.39Å; Q566-I568 PolarHBondContact O-N 3.09Å; I568-V570 PolarHBondContact O-N 3.1Å; I568-V570 VanDerWaalsContact O-N 3.14Å | ||
| 569 | P | 71.6 | Confident | 72 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | trans | -64.4 | 119.5 | -179.5 | 26.2 | -33.7 | 0 | 0 | 0 | 109.1 | G567 T571 | G567-P569 WeakPolarHBondContact O-CD 3.47Å; P569-T571 VanDerWaalsContact C-N 3.31Å; P569-T571 PolarHBondContact O-N 2.87Å | ||
| 570 | V | 66.9 | Low | 70.3 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | trans | -81.4 | 88.1 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | A560 D563 L564 I568 L574 | A560-V570 HydrophobicContact CB-CG1 4.05Å; A560-V570 HydrophobicContact CB-CG2 4.34Å; D563-V570 HydrophobicContact CB-CG2 3.71Å; L564-V570 HydrophobicContact CD2-CB 4.34Å; L564-V570 HydrophobicContact CD2-CG2 3.83Å; L564-V570 HydrophobicContact CG-CG2 3.68Å; I568-V570 PolarHBondContact O-N 3.1Å; I568-V570 VanDerWaalsContact O-N 3.14Å; V570-L574 HydrophobicContact CB-CD1 4.06Å; V570-L574 HydrophobicContact CG1-CB 4.12Å; V570-L574 HydrophobicContact CG1-CD1 3.47Å; V570-L574 VanDerWaalsContact CG1-CD1 3.47Å; V570-L574 HydrophobicContact CG1-CG 3.51Å | ||
| 571 | T | 56.2 | Low | 68.7 | Low | 98 Ų | 98 | 51.6 Ų | 51.6 | 60% | 0.601 | 28% | 0.275 | S | S | * | . | trans | -64.1 | -172.2 | 179.6 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | P569 D573 L574 | P569-T571 VanDerWaalsContact C-N 3.31Å; P569-T571 PolarHBondContact O-N 2.87Å; T571-D573 PolarHBondContact O-N 3.17Å; T571-L574 PolarHBondContact O-N 3.44Å; T571-L574 VanDerWaalsContact O-N 3.15Å | ||
| 572 | E | 50.7 | Low | 66.9 | Low | 162 Ų | 162 | 58.1 Ų | 58.1 | 76% | 0.757 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -13.5 | -169.1 | -58.8 | -171.3 | 131.2 | 0 | 0 | 116.1 | L574 Y575 S576 | E572-L574 PolarHBondContact O-N 3.18Å; E572-Y575 CarbonylContact O-C 3.57Å; E572-Y575 WeakPolarHBondContact O-CA 3.41Å; E572-Y575 WeakPolarHBondContact O-CB 3.45Å; E572-Y575 PolarHBondContact O-N 3.21Å; E572-S576 PolarHBondContact O-N 3.16Å |
| 573 | D | 53 | Low | 65.1 | Low | 98 Ų | 98 | 63.4 Ų | 63.4 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.4 | -26.8 | 172.1 | -108.5 | -24.5 | 0 | 0 | 0 | 114.1 | T571 S576 I577 K580 | T571-D573 PolarHBondContact O-N 3.17Å; D573-S576 CarbonylContact O-C 3.52Å; D573-S576 PolarHBondContact O-N 2.88Å; D573-S576 PolarHBondContact O-OG 3.09Å; D573-S576 PolarHBondContact OD1-OG 2.87Å; D573-I577 WeakPolarHBondContact O-CB 3.41Å; D573-I577 VanDerWaalsContact O-CD1 3.3Å; D573-I577 WeakPolarHBondContact O-CD1 3.34Å; D573-I577 WeakPolarHBondContact O-CG1 3.36Å; D573-I577 PolarHBondContact O-N 3.16Å; D573-K580 IonicContact OD1-NZ 3.73Å |
| 574 | L | 56.9 | Low | 63.2 | Low | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 170.6 | -104.4 | 179.5 | 0 | 0 | 0 | 112.8 | L158 L162 A560 V570 T571 E572 I577 F578 | L158-L574 HydrophobicContact CD1-CD1 4.29Å; L158-L574 HydrophobicContact CD1-CD2 3.8Å; L158-L574 HydrophobicContact CD2-CD1 4.3Å; L162-L574 HydrophobicContact CD1-CD1 4.22Å; A560-L574 HydrophobicContact CB-CD1 4Å; A560-L574 HydrophobicContact CB-CD2 4.05Å; A560-L574 HydrophobicContact CB-CG 4.09Å; V570-L574 HydrophobicContact CB-CD1 4.06Å; V570-L574 HydrophobicContact CG1-CB 4.12Å; V570-L574 HydrophobicContact CG1-CD1 3.47Å; V570-L574 VanDerWaalsContact CG1-CD1 3.47Å; V570-L574 HydrophobicContact CG1-CG 3.51Å; T571-L574 PolarHBondContact O-N 3.44Å; T571-L574 VanDerWaalsContact O-N 3.15Å; E572-L574 PolarHBondContact O-N 3.18Å; L574-I577 HydrophobicContact CD2-CD1 4.31Å; L574-F578 VanDerWaalsContact O-CD2 3.32Å; L574-F578 WeakPolarHBondContact O-CD2 3.37Å |
| 575 | Y | 53.6 | Low | 61.6 | Low | 89 Ų | 89 | 70.7 Ų | 70.7 | 35% | 0.349 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 171.5 | -65.6 | -78.5 | 0 | 0 | 0 | 110.4 | H58 K155 E572 I577 F578 T579 | H58-Y575 PolarHBondContact CD2-OH 3.34Å; H58-Y575 VanDerWaalsContact CD2-OH 3.32Å; H58-Y575 AromaticContact NE2-CE2 3.86Å; H58-Y575 AromaticContact NE2-CZ 3.83Å; H58-Y575 PolarHBondContact NE2-OH 3.38Å; K155-Y575 WeakPolarHBondContact CE-OH 3.23Å; E572-Y575 CarbonylContact O-C 3.57Å; E572-Y575 WeakPolarHBondContact O-CA 3.41Å; E572-Y575 WeakPolarHBondContact O-CB 3.45Å; E572-Y575 PolarHBondContact O-N 3.21Å; Y575-I577 PolarHBondContact O-N 3.26Å; Y575-F578 WeakPolarHBondContact O-CB 3.44Å; Y575-F578 PolarHBondContact O-N 3.17Å; Y575-T579 PolarHBondContact O-N 2.79Å; Y575-T579 PolarHBondContact O-OG1 3.47Å |
| 576 | S | 54.6 | Low | 59.9 | Low | 22 Ų | 22 | 73.4 Ų | 73.4 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.7 | -32.6 | 175.5 | 110.9 | 0 | 0 | 0 | 0 | 112.4 | E572 D573 T579 K580 | E572-S576 PolarHBondContact O-N 3.16Å; D573-S576 CarbonylContact O-C 3.52Å; D573-S576 PolarHBondContact O-N 2.88Å; D573-S576 PolarHBondContact O-OG 3.09Å; D573-S576 PolarHBondContact OD1-OG 2.87Å; S576-T579 PolarHBondContact O-N 3.15Å; S576-K580 VanDerWaalsContact O-CB 3.24Å; S576-K580 WeakPolarHBondContact O-CB 3.25Å; S576-K580 WeakPolarHBondContact O-CD 3.46Å; S576-K580 WeakPolarHBondContact O-CG 3.28Å; S576-K580 PolarHBondContact O-N 3.42Å; S576-K580 WeakPolarHBondContact OG-CE 3.47Å; S576-K580 PolarHBondContact OG-NZ 3.14Å |
| 577 | I | 54.6 | Low | 58.2 | Low | 41 Ų | 41 | 77 Ų | 77 | 21% | 0.21 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 171.6 | -76.1 | 154.6 | 0 | 0 | 0 | 111.3 | A556 D573 L574 Y575 E581 | A556-I577 HydrophobicContact CB-CD1 3.78Å; A556-I577 HydrophobicContact CB-CG1 4.23Å; A556-I577 HydrophobicContact CB-CG2 4.32Å; D573-I577 WeakPolarHBondContact O-CB 3.41Å; D573-I577 VanDerWaalsContact O-CD1 3.3Å; D573-I577 WeakPolarHBondContact O-CD1 3.34Å; D573-I577 WeakPolarHBondContact O-CG1 3.36Å; D573-I577 PolarHBondContact O-N 3.16Å; L574-I577 HydrophobicContact CD2-CD1 4.31Å; Y575-I577 PolarHBondContact O-N 3.26Å; I577-E581 WeakPolarHBondContact O-CB 3.35Å; I577-E581 PolarHBondContact O-N 2.95Å |
| 578 | F | 53.9 | Low | 56.4 | Low | 43 Ų | 43 | 80.5 Ų | 80.5 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 173.7 | -73.7 | -77.7 | 0 | 0 | 0 | 112.5 | L158 Y557 L574 Y575 E581 K582 | L158-F578 HydrophobicContact CB-CE2 3.84Å; L158-F578 HydrophobicContact CB-CZ 3.85Å; L158-F578 HydrophobicContact CD1-CE2 3.82Å; L158-F578 HydrophobicContact CD1-CZ 4.11Å; L158-F578 HydrophobicContact CD2-CE2 4.13Å; L158-F578 HydrophobicContact CG-CE2 4.12Å; L158-F578 HydrophobicContact CG-CZ 4.46Å; Y557-F578 HydrophobicContact CE1-CZ 4.43Å; L574-F578 VanDerWaalsContact O-CD2 3.32Å; L574-F578 WeakPolarHBondContact O-CD2 3.37Å; Y575-F578 WeakPolarHBondContact O-CB 3.44Å; Y575-F578 PolarHBondContact O-N 3.17Å; F578-E581 PolarHBondContact O-N 2.93Å; F578-K582 VanDerWaalsContact O-CB 3.26Å; F578-K582 WeakPolarHBondContact O-CB 3.32Å; F578-K582 PolarHBondContact O-N 3.35Å |
| 579 | T | 51.6 | Low | 55.1 | Low | 70 Ų | 70 | 82 Ų | 82 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 177.5 | -35.5 | 0 | 0 | 0 | 0 | 110 | Y575 S576 K582 E583 | Y575-T579 PolarHBondContact O-N 2.79Å; Y575-T579 PolarHBondContact O-OG1 3.47Å; S576-T579 PolarHBondContact O-N 3.15Å; T579-K582 PolarHBondContact O-N 2.95Å; T579-E583 VanDerWaalsContact CG2-OE1 3.25Å; T579-E583 WeakPolarHBondContact CG2-OE1 3.42Å; T579-E583 WeakPolarHBondContact O-CB 3.23Å; T579-E583 VanDerWaalsContact O-CG 3.23Å; T579-E583 WeakPolarHBondContact O-CG 3.42Å; T579-E583 PolarHBondContact O-N 3.44Å |
| 580 | K | 52.3 | Low | 54.2 | Low | 96 Ų | 96 | 83.1 Ų | 83.1 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69 | -35.9 | 178.8 | -66.9 | 161.5 | -172.4 | 162.7 | 0 | 113.2 | D573 S576 K582 H584 | D573-K580 IonicContact OD1-NZ 3.73Å; S576-K580 VanDerWaalsContact O-CB 3.24Å; S576-K580 WeakPolarHBondContact O-CB 3.25Å; S576-K580 WeakPolarHBondContact O-CD 3.46Å; S576-K580 WeakPolarHBondContact O-CG 3.28Å; S576-K580 PolarHBondContact O-N 3.42Å; S576-K580 WeakPolarHBondContact OG-CE 3.47Å; S576-K580 PolarHBondContact OG-NZ 3.14Å; K580-K582 VanDerWaalsContact C-N 3.28Å; K580-K582 PolarHBondContact O-N 3.05Å; K580-H584 WeakPolarHBondContact O-CB 3.5Å; K580-H584 PolarHBondContact O-N 3.38Å |
| 581 | E | 53.2 | Low | 53.7 | Low | 66 Ų | 66 | 85.5 Ų | 85.5 | 31% | 0.308 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 171.3 | 178.4 | 169.7 | -116.1 | 0 | 0 | 110.1 | R161 I577 F578 E585 | R161-E581 IonicContact CZ-OE2 3.27Å; R161-E581 IonicContact NH1-OE1 2.77Å; R161-E581 IonicContact NH1-OE2 2.64Å; R161-E581 PolarHBondContact NH1-OE2 2.83Å; R161-E581 IonicContact NH2-OE1 3.33Å; R161-E581 IonicContact NH2-OE2 2.83Å; I577-E581 WeakPolarHBondContact O-CB 3.35Å; I577-E581 PolarHBondContact O-N 2.95Å; F578-E581 PolarHBondContact O-N 2.93Å; E581-E585 WeakPolarHBondContact O-CB 3.41Å; E581-E585 PolarHBondContact O-N 3.11Å |
| 582 | K | 51.7 | Low | 53.5 | Low | 141 Ų | 141 | 86.1 Ų | 86.1 | 61% | 0.613 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -78.5 | -40 | -178.1 | -174.5 | -176.6 | 175.4 | -165.6 | 0 | 113.8 | F578 T579 K580 E585 A586 | F578-K582 VanDerWaalsContact O-CB 3.26Å; F578-K582 WeakPolarHBondContact O-CB 3.32Å; F578-K582 PolarHBondContact O-N 3.35Å; T579-K582 PolarHBondContact O-N 2.95Å; K580-K582 VanDerWaalsContact C-N 3.28Å; K580-K582 PolarHBondContact O-N 3.05Å; K582-E585 PolarHBondContact O-N 2.95Å; K582-A586 PolarHBondContact O-N 3.47Å |
| 583 | E | 55 | Low | 54 | Low | 112 Ų | 112 | 86.9 Ų | 86.9 | 52% | 0.523 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 171.3 | -74.2 | 161.3 | 179.8 | 0 | 0 | 110.5 | T579 E585 A586 L587 | T579-E583 VanDerWaalsContact CG2-OE1 3.25Å; T579-E583 WeakPolarHBondContact CG2-OE1 3.42Å; T579-E583 WeakPolarHBondContact O-CB 3.23Å; T579-E583 VanDerWaalsContact O-CG 3.23Å; T579-E583 WeakPolarHBondContact O-CG 3.42Å; T579-E583 PolarHBondContact O-N 3.44Å; E583-E585 VanDerWaalsContact C-N 3.32Å; E583-E585 PolarHBondContact O-N 2.86Å; E583-A586 WeakPolarHBondContact O-CB 3.41Å; E583-A586 PolarHBondContact O-N 2.79Å; E583-L587 VanDerWaalsContact O-CB 3.3Å; E583-L587 WeakPolarHBondContact O-CB 3.48Å; E583-L587 PolarHBondContact O-N 2.84Å |
| 584 | H | 50.1 | Low | 54.2 | Low | 68 Ų | 68 | 84.9 Ų | 84.9 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.3 | -32.9 | 175.6 | -172.9 | -55.6 | 0 | 0 | 0 | 112 | K580 A586 H588 | K580-H584 WeakPolarHBondContact O-CB 3.5Å; K580-H584 PolarHBondContact O-N 3.38Å; H584-A586 VanDerWaalsContact C-N 3.33Å; H584-H588 WeakPolarHBondContact O-CB 3.4Å; H584-H588 PolarHBondContact O-N 3.18Å |
| 585 | E | 54.1 | Low | 54 | Low | 117 Ų | 117 | 89.4 Ų | 89.4 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.6 | -31.6 | 173.4 | -154 | -164 | -110.3 | 0 | 0 | 112.3 | E581 K582 E583 K589 | E581-E585 WeakPolarHBondContact O-CB 3.41Å; E581-E585 PolarHBondContact O-N 3.11Å; K582-E585 PolarHBondContact O-N 2.95Å; E583-E585 VanDerWaalsContact C-N 3.32Å; E583-E585 PolarHBondContact O-N 2.86Å; E585-K589 VanDerWaalsContact O-CD 3.29Å; E585-K589 WeakPolarHBondContact O-CD 3.49Å; E585-K589 WeakPolarHBondContact O-CE 3.37Å; E585-K589 VanDerWaalsContact O-CG 3.28Å; E585-K589 WeakPolarHBondContact O-CG 3.26Å; E585-K589 PolarHBondContact O-N 3.44Å; E585-K589 IonicContact OE2-NZ 3.48Å; E585-K589 PolarHBondContact OE2-NZ 2.81Å |
| 586 | A | 55.4 | Low | 54 | Low | 56 Ų | 56 | 90.1 Ų | 90.1 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.5 | -50.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K582 E583 H584 H588 K589 E590 | K582-A586 PolarHBondContact O-N 3.47Å; E583-A586 WeakPolarHBondContact O-CB 3.41Å; E583-A586 PolarHBondContact O-N 2.79Å; H584-A586 VanDerWaalsContact C-N 3.33Å; A586-H588 VanDerWaalsContact C-N 3.26Å; A586-H588 PolarHBondContact O-N 3.06Å; A586-K589 CarbonylContact O-C 3.56Å; A586-K589 WeakPolarHBondContact O-CA 3.4Å; A586-K589 WeakPolarHBondContact O-CB 3.12Å; A586-K589 PolarHBondContact O-N 2.75Å; A586-E590 PolarHBondContact O-N 3.19Å |
| 587 | L | 55.5 | Low | 54.5 | Low | 93 Ų | 93 | 94.6 Ų | 94.6 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.5 | -23.5 | -177.3 | -166.4 | 146 | 0 | 0 | 0 | 112.8 | E583 N591 | E583-L587 VanDerWaalsContact O-CB 3.3Å; E583-L587 WeakPolarHBondContact O-CB 3.48Å; E583-L587 PolarHBondContact O-N 2.84Å; L587-N591 VanDerWaalsContact CD2-ND2 3.34Å; L587-N591 WeakPolarHBondContact CD2-ND2 3.18Å; L587-N591 WeakPolarHBondContact O-CB 3.46Å; L587-N591 PolarHBondContact O-N 2.91Å; L587-N591 PolarHBondContact O-ND2 3.4Å |
| 588 | H | 49.8 | Very low | 54.8 | Low | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.7 | -40 | 168.1 | -168.5 | -72.4 | 0 | 0 | 0 | 112.2 | H584 A586 E590 Q592 | H584-H588 WeakPolarHBondContact O-CB 3.4Å; H584-H588 PolarHBondContact O-N 3.18Å; A586-H588 VanDerWaalsContact C-N 3.26Å; A586-H588 PolarHBondContact O-N 3.06Å; H588-E590 VanDerWaalsContact C-N 3.29Å; H588-Q592 PolarHBondContact CE1-OE1 2.88Å; H588-Q592 PolarHBondContact ND1-OE1 3.32Å; H588-Q592 WeakPolarHBondContact O-CB 3.29Å; H588-Q592 VanDerWaalsContact O-CG 3.32Å; H588-Q592 WeakPolarHBondContact O-CG 3.38Å; H588-Q592 PolarHBondContact O-N 3.21Å; H588-Q592 PolarHBondContact O-OE1 3.19Å |
| 589 | K | 56.6 | Low | 55.1 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 45% | 0.452 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 173.5 | -68.7 | 163.4 | -168.4 | 162.3 | 0 | 111.2 | E585 A586 Q592 R593 | E585-K589 VanDerWaalsContact O-CD 3.29Å; E585-K589 WeakPolarHBondContact O-CD 3.49Å; E585-K589 WeakPolarHBondContact O-CE 3.37Å; E585-K589 VanDerWaalsContact O-CG 3.28Å; E585-K589 WeakPolarHBondContact O-CG 3.26Å; E585-K589 PolarHBondContact O-N 3.44Å; E585-K589 IonicContact OE2-NZ 3.48Å; E585-K589 PolarHBondContact OE2-NZ 2.81Å; A586-K589 CarbonylContact O-C 3.56Å; A586-K589 WeakPolarHBondContact O-CA 3.4Å; A586-K589 WeakPolarHBondContact O-CB 3.12Å; A586-K589 PolarHBondContact O-N 2.75Å; K589-Q592 PolarHBondContact O-N 3.4Å; K589-R593 WeakPolarHBondContact O-CG 3.32Å; K589-R593 PolarHBondContact O-N 3.48Å |
| 590 | E | 52.7 | Low | 55.3 | Low | 121 Ų | 121 | 98.1 Ų | 98.1 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.2 | -50.1 | 173.5 | -173 | 170.3 | -144 | 0 | 0 | 112.1 | A586 H588 Q592 R593 S594 | A586-E590 PolarHBondContact O-N 3.19Å; H588-E590 VanDerWaalsContact C-N 3.29Å; E590-Q592 PolarHBondContact O-N 2.92Å; E590-R593 WeakPolarHBondContact O-CA 3.41Å; E590-R593 WeakPolarHBondContact O-CB 3.47Å; E590-R593 PolarHBondContact O-N 3.21Å; E590-S594 PolarHBondContact O-N 2.91Å; E590-S594 PolarHBondContact O-OG 3.45Å |
| 591 | N | 56 | Low | 55.8 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -30.2 | 172.8 | -88.7 | -75 | 0 | 0 | 0 | 113.2 | L587 S594 H595 | L587-N591 VanDerWaalsContact CD2-ND2 3.34Å; L587-N591 WeakPolarHBondContact CD2-ND2 3.18Å; L587-N591 WeakPolarHBondContact O-CB 3.46Å; L587-N591 PolarHBondContact O-N 2.91Å; L587-N591 PolarHBondContact O-ND2 3.4Å; N591-S594 PolarHBondContact O-OG 3.48Å; N591-H595 WeakPolarHBondContact O-CB 3.28Å; N591-H595 PolarHBondContact O-N 3.42Å |
| 592 | Q | 51.8 | Low | 56.1 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 171.8 | -76.6 | 178 | -71.6 | 0 | 0 | 111.9 | H588 K589 E590 Q596 | H588-Q592 PolarHBondContact CE1-OE1 2.88Å; H588-Q592 PolarHBondContact ND1-OE1 3.32Å; H588-Q592 WeakPolarHBondContact O-CB 3.29Å; H588-Q592 VanDerWaalsContact O-CG 3.32Å; H588-Q592 WeakPolarHBondContact O-CG 3.38Å; H588-Q592 PolarHBondContact O-N 3.21Å; H588-Q592 PolarHBondContact O-OE1 3.19Å; K589-Q592 PolarHBondContact O-N 3.4Å; E590-Q592 PolarHBondContact O-N 2.92Å; Q592-Q596 VanDerWaalsContact O-CB 3.3Å; Q592-Q596 WeakPolarHBondContact O-CB 3.42Å; Q592-Q596 PolarHBondContact O-N 3.36Å |
| 593 | R | 62 | Low | 56.2 | Low | 178 Ų | 178 | 98.2 Ų | 98.2 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -52.3 | 174 | -72.8 | 169.1 | 177 | -174 | -3.8 | 112 | K589 E590 H595 Q596 E597 | K589-R593 WeakPolarHBondContact O-CG 3.32Å; K589-R593 PolarHBondContact O-N 3.48Å; E590-R593 WeakPolarHBondContact O-CA 3.41Å; E590-R593 WeakPolarHBondContact O-CB 3.47Å; E590-R593 PolarHBondContact O-N 3.21Å; R593-H595 VanDerWaalsContact C-N 3.28Å; R593-H595 PolarHBondContact O-N 3.1Å; R593-Q596 CarbonylContact O-C 3.56Å; R593-Q596 WeakPolarHBondContact O-CA 3.46Å; R593-Q596 WeakPolarHBondContact O-CB 3.41Å; R593-Q596 PolarHBondContact O-N 3.35Å; R593-E597 WeakPolarHBondContact O-CG 3.29Å; R593-E597 PolarHBondContact O-N 3.42Å |
| 594 | S | 57.1 | Low | 56.4 | Low | 56 Ų | 56 | 100 Ų | 100 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -32.7 | -179.7 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | E590 N591 L598 | E590-S594 PolarHBondContact O-N 2.91Å; E590-S594 PolarHBondContact O-OG 3.45Å; N591-S594 PolarHBondContact O-OG 3.48Å; S594-L598 WeakPolarHBondContact O-CB 3.14Å; S594-L598 PolarHBondContact O-N 2.98Å |
| 595 | H | 52.3 | Low | 57.2 | Low | 102 Ų | 102 | 99.9 Ų | 99.9 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 171.4 | -168 | 32.3 | 0 | 0 | 0 | 112.3 | N591 R593 I599 | N591-H595 WeakPolarHBondContact O-CB 3.28Å; N591-H595 PolarHBondContact O-N 3.42Å; R593-H595 VanDerWaalsContact C-N 3.28Å; R593-H595 PolarHBondContact O-N 3.1Å; H595-I599 WeakPolarHBondContact O-CB 3.05Å; H595-I599 WeakPolarHBondContact O-CD1 3.26Å; H595-I599 VanDerWaalsContact O-CG1 3.22Å; H595-I599 WeakPolarHBondContact O-CG1 3.45Å; H595-I599 PolarHBondContact O-N 2.73Å |
| 596 | Q | 53.1 | Low | 57.7 | Low | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.3 | -164.1 | 75.1 | 34.9 | 0 | 0 | 111.2 | Q592 R593 I599 S600 | Q592-Q596 VanDerWaalsContact O-CB 3.3Å; Q592-Q596 WeakPolarHBondContact O-CB 3.42Å; Q592-Q596 PolarHBondContact O-N 3.36Å; R593-Q596 CarbonylContact O-C 3.56Å; R593-Q596 WeakPolarHBondContact O-CA 3.46Å; R593-Q596 WeakPolarHBondContact O-CB 3.41Å; R593-Q596 PolarHBondContact O-N 3.35Å; Q596-I599 PolarHBondContact O-N 2.91Å; Q596-S600 PolarHBondContact O-N 3.47Å; Q596-S600 PolarHBondContact O-OG 3.1Å; Q596-S600 VanDerWaalsContact O-OG 3.13Å |
| 597 | E | 64.9 | Low | 57.6 | Low | 115 Ų | 115 | 101.9 Ų | 101.9 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.7 | -72.2 | 160.8 | -174 | 0 | 0 | 111.8 | R593 I599 S600 Q601 | R593-E597 WeakPolarHBondContact O-CG 3.29Å; R593-E597 PolarHBondContact O-N 3.42Å; E597-I599 VanDerWaalsContact C-N 3.34Å; E597-I599 PolarHBondContact O-N 3.05Å; E597-S600 WeakPolarHBondContact O-CB 3.06Å; E597-S600 PolarHBondContact O-N 2.94Å; E597-Q601 WeakPolarHBondContact O-CG 3.18Å; E597-Q601 PolarHBondContact O-N 3.46Å |
| 598 | L | 61.3 | Low | 58 | Low | 89 Ų | 89 | 104 Ų | 104 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 174 | 179.8 | 63.2 | 0 | 0 | 0 | 112.1 | S594 Q601 L602 | S594-L598 WeakPolarHBondContact O-CB 3.14Å; S594-L598 PolarHBondContact O-N 2.98Å; L598-Q601 PolarHBondContact O-N 3.14Å; L598-L602 HydrophobicContact CD1-CD1 4.42Å; L598-L602 HydrophobicContact CG-CD1 4.24Å; L598-L602 WeakPolarHBondContact O-CB 3.15Å; L598-L602 WeakPolarHBondContact O-CG 3.43Å; L598-L602 PolarHBondContact O-N 3.27Å |
| 599 | I | 60.2 | Low | 58.8 | Low | 74 Ų | 74 | 105.8 Ų | 105.8 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 173.2 | -72.6 | 164.5 | 0 | 0 | 0 | 110.1 | H595 Q596 E597 L602 L603 | H595-I599 WeakPolarHBondContact O-CB 3.05Å; H595-I599 WeakPolarHBondContact O-CD1 3.26Å; H595-I599 VanDerWaalsContact O-CG1 3.22Å; H595-I599 WeakPolarHBondContact O-CG1 3.45Å; H595-I599 PolarHBondContact O-N 2.73Å; Q596-I599 PolarHBondContact O-N 2.91Å; E597-I599 VanDerWaalsContact C-N 3.34Å; E597-I599 PolarHBondContact O-N 3.05Å; I599-L602 PolarHBondContact O-N 3.46Å; I599-L603 WeakPolarHBondContact O-CB 3.49Å; I599-L603 PolarHBondContact O-N 2.85Å |
| 600 | S | 55.2 | Low | 59.2 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | Q596 E597 L603 Q604 | Q596-S600 PolarHBondContact O-N 3.47Å; Q596-S600 PolarHBondContact O-OG 3.1Å; Q596-S600 VanDerWaalsContact O-OG 3.13Å; E597-S600 WeakPolarHBondContact O-CB 3.06Å; E597-S600 PolarHBondContact O-N 2.94Å; S600-L603 PolarHBondContact O-N 2.94Å; S600-Q604 WeakPolarHBondContact O-CB 3.24Å; S600-Q604 PolarHBondContact O-N 3.28Å |
| 601 | Q | 63.1 | Low | 60.1 | Low | 129 Ų | 129 | 98.2 Ų | 98.2 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -42 | 175.9 | -72.6 | 177.6 | -2 | 0 | 0 | 112.2 | E597 L598 Q604 S605 | E597-Q601 WeakPolarHBondContact O-CG 3.18Å; E597-Q601 PolarHBondContact O-N 3.46Å; L598-Q601 PolarHBondContact O-N 3.14Å; Q601-Q604 PolarHBondContact O-N 3.05Å; Q601-S605 VanDerWaalsContact O-CB 3.29Å; Q601-S605 WeakPolarHBondContact O-CB 3.44Å; Q601-S605 PolarHBondContact O-N 3.29Å |
| 602 | L | 60.1 | Low | 61.2 | Low | 110 Ų | 110 | 96.3 Ų | 96.3 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 174.8 | -80 | 166.9 | 0 | 0 | 0 | 111.9 | L598 I599 S605 Y606 | L598-L602 HydrophobicContact CD1-CD1 4.42Å; L598-L602 HydrophobicContact CG-CD1 4.24Å; L598-L602 WeakPolarHBondContact O-CB 3.15Å; L598-L602 WeakPolarHBondContact O-CG 3.43Å; L598-L602 PolarHBondContact O-N 3.27Å; I599-L602 PolarHBondContact O-N 3.46Å; L602-S605 PolarHBondContact O-N 2.93Å; L602-Y606 VanDerWaalsContact O-CB 3.25Å; L602-Y606 WeakPolarHBondContact O-CB 3.39Å; L602-Y606 PolarHBondContact O-N 3.42Å |
| 603 | L | 54.3 | Low | 62.3 | Low | 67 Ų | 67 | 97.3 Ų | 97.3 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 177.6 | -133.3 | 170.3 | 0 | 0 | 0 | 111 | I599 S600 S605 Y606 M607 V1082 | I599-L603 WeakPolarHBondContact O-CB 3.49Å; I599-L603 PolarHBondContact O-N 2.85Å; S600-L603 PolarHBondContact O-N 2.94Å; L603-S605 PolarHBondContact O-N 3.14Å; L603-Y606 PolarHBondContact O-N 3.45Å; L603-M607 HydrophobicContact CD2-CG 3.91Å; L603-M607 HydrophobicContact CD2-SD 3.77Å; L603-M607 WeakPolarHBondContact O-CG 3.34Å; L603-M607 PolarHBondContact O-N 3.42Å; L603-V1082 HydrophobicContact CD1-CG2 3.95Å |
| 604 | Q | 59 | Low | 63.1 | Low | 148 Ų | 148 | 94.7 Ų | 94.7 | 69% | 0.692 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 178.3 | -169.8 | 174.3 | 9.7 | 0 | 0 | 112.1 | S600 Q601 K608 | S600-Q604 WeakPolarHBondContact O-CB 3.24Å; S600-Q604 PolarHBondContact O-N 3.28Å; Q601-Q604 PolarHBondContact O-N 3.05Å; Q604-K608 PolarHBondContact O-N 3.41Å |
| 605 | S | 67.7 | Low | 64.4 | Low | 66 Ų | 66 | 92.7 Ų | 92.7 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | Q601 L602 L603 K608 L609 | Q601-S605 VanDerWaalsContact O-CB 3.29Å; Q601-S605 WeakPolarHBondContact O-CB 3.44Å; Q601-S605 PolarHBondContact O-N 3.29Å; L602-S605 PolarHBondContact O-N 2.93Å; L603-S605 PolarHBondContact O-N 3.14Å; S605-K608 PolarHBondContact O-N 3.05Å; S605-L609 WeakPolarHBondContact O-CG 3.3Å; S605-L609 PolarHBondContact O-N 3.11Å |
| 606 | Y | 62.8 | Low | 65.8 | Low | 137 Ų | 137 | 95.1 Ų | 95.1 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 178.5 | -176.2 | -107.6 | 0 | 0 | 0 | 112.4 | L602 L603 K608 L609 L610 | L602-Y606 VanDerWaalsContact O-CB 3.25Å; L602-Y606 WeakPolarHBondContact O-CB 3.39Å; L602-Y606 PolarHBondContact O-N 3.42Å; L603-Y606 PolarHBondContact O-N 3.45Å; Y606-K608 PolarHBondContact O-N 2.68Å; Y606-L609 PolarHBondContact O-N 3.39Å; Y606-L610 HydrophobicContact CE1-CD2 3.92Å; Y606-L610 WeakPolarHBondContact O-CB 3.4Å; Y606-L610 PolarHBondContact O-N 2.81Å |
| 607 | M | 55.2 | Low | 67 | Low | 79 Ų | 79 | 93.4 Ų | 93.4 | 39% | 0.389 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.9 | -32 | 175 | -70.9 | -177.5 | 77.3 | 0 | 0 | 112.3 | L603 L609 F617 | L603-M607 HydrophobicContact CD2-CG 3.91Å; L603-M607 HydrophobicContact CD2-SD 3.77Å; L603-M607 WeakPolarHBondContact O-CG 3.34Å; L603-M607 PolarHBondContact O-N 3.42Å; M607-L609 VanDerWaalsContact C-N 3.32Å; M607-F617 HydrophobicContact CE-CB 3.64Å; M607-F617 HydrophobicContact CE-CD1 3.53Å; M607-F617 HydrophobicContact CE-CE1 4.35Å; M607-F617 HydrophobicContact CE-CG 3.72Å |
| 608 | K | 62.6 | Low | 67.8 | Low | 136 Ų | 136 | 92.1 Ų | 92.1 | 59% | 0.591 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -78.1 | -11.7 | 174.7 | -145.9 | -148.4 | 172.1 | -155 | 0 | 114.6 | Q604 S605 Y606 D613 | Q604-K608 PolarHBondContact O-N 3.41Å; S605-K608 PolarHBondContact O-N 3.05Å; Y606-K608 PolarHBondContact O-N 2.68Å; K608-D613 WeakPolarHBondContact CE-OD1 3.16Å; K608-D613 IonicContact NZ-OD1 3.13Å; K608-D613 PolarHBondContact NZ-OD1 3.02Å; K608-D613 IonicContact NZ-OD2 3.05Å |
| 609 | L | 66.4 | Low | 68.6 | Low | 137 Ų | 137 | 88.2 Ų | 88.2 | 72% | 0.717 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -102.3 | -14.5 | 176.5 | -72.8 | 167.4 | 0 | 0 | 0 | 112.7 | S605 Y606 M607 | S605-L609 WeakPolarHBondContact O-CG 3.3Å; S605-L609 PolarHBondContact O-N 3.11Å; Y606-L609 PolarHBondContact O-N 3.39Å; M607-L609 VanDerWaalsContact C-N 3.32Å |
| 610 | L | 64.5 | Low | 69.6 | Low | 49 Ų | 49 | 85.6 Ų | 85.6 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -89.3 | -22.8 | -174.3 | -170 | 62.1 | 0 | 0 | 0 | 113.3 | Y606 L643 | Y606-L610 HydrophobicContact CE1-CD2 3.92Å; Y606-L610 WeakPolarHBondContact O-CB 3.4Å; Y606-L610 PolarHBondContact O-N 2.81Å; L610-L643 HydrophobicContact CD1-CD1 4.05Å; L610-L643 HydrophobicContact CD2-CD1 3.82Å; L610-L643 HydrophobicContact CG-CD1 3.92Å |
| 611 | L | 72.6 | Confident | 71.1 | Confident | 17 Ų | 17 | 85.1 Ų | 85.1 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -128.2 | 156.7 | 179.9 | -64 | -180 | 0 | 0 | 0 | 110.5 | E615 F617 Y650 | L611-E615 HydrophobicContact CB-CB 4.13Å; L611-E615 HydrophobicContact CD1-CB 4.42Å; L611-F617 HydrophobicContact CD1-CB 3.69Å; L611-F617 HydrophobicContact CD1-CD2 4.39Å; L611-F617 VanDerWaalsContact CD1-N 3.32Å; L611-Y650 HydrophobicContact CD2-CD2 4.1Å; L611-Y650 HydrophobicContact CD2-CE1 4.42Å; L611-Y650 HydrophobicContact CD2-CE2 3.37Å |
| 612 | P | 79.3 | Confident | 72 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | trans | -54.4 | 152.1 | 164.9 | -27.1 | 37.6 | 0 | 0 | 0 | 113.1 | D614 E615 Y650 | P612-D614 WeakPolarHBondContact CB-OD1 3.38Å; P612-D614 PolarHBondContact O-N 2.96Å; P612-D614 VanDerWaalsContact O-N 3.13Å; P612-E615 HydrophobicContact CB-CB 4.44Å; P612-E615 HydrophobicContact CB-CG 4.23Å; P612-E615 HydrophobicContact CG-CG 4.3Å; P612-E615 WeakPolarHBondContact CG-OE1 3.35Å; P612-E615 PolarHBondContact O-N 2.93Å; P612-Y650 WeakPolarHBondContact CD-OH 3.41Å | ||
| 613 | D | 73.8 | Confident | 73.3 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.3 | -178.1 | -92.4 | -66.5 | 0 | 0 | 0 | 114 | K608 | K608-D613 WeakPolarHBondContact CE-OD1 3.16Å; K608-D613 IonicContact NZ-OD1 3.13Å; K608-D613 PolarHBondContact NZ-OD1 3.02Å; K608-D613 IonicContact NZ-OD2 3.05Å |
| 614 | D | 80.4 | Confident | 74.8 | Confident | 122 Ų | 122 | 72.5 Ų | 72.5 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -11.5 | 176.5 | 59.3 | -55.6 | 0 | 0 | 0 | 114.1 | P612 | P612-D614 WeakPolarHBondContact CB-OD1 3.38Å; P612-D614 PolarHBondContact O-N 2.96Å; P612-D614 VanDerWaalsContact O-N 3.13Å |
| 615 | E | 82.9 | Confident | 76.1 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | trans | -99.4 | 141.8 | -177.7 | -70.5 | -167.8 | -135.6 | 0 | 0 | 113.3 | L611 P612 S645 N646 Y650 R666 | L611-E615 HydrophobicContact CB-CB 4.13Å; L611-E615 HydrophobicContact CD1-CB 4.42Å; P612-E615 HydrophobicContact CB-CB 4.44Å; P612-E615 HydrophobicContact CB-CG 4.23Å; P612-E615 HydrophobicContact CG-CG 4.3Å; P612-E615 WeakPolarHBondContact CG-OE1 3.35Å; P612-E615 PolarHBondContact O-N 2.93Å; E615-S645 WeakPolarHBondContact OE2-CB 3.45Å; E615-S645 PolarHBondContact OE2-OG 3.31Å; E615-N646 WeakPolarHBondContact CA-OD1 3.08Å; E615-Y650 VanDerWaalsContact CD-OH 3.25Å; E615-Y650 PolarHBondContact OE1-OH 3.49Å; E615-Y650 VanDerWaalsContact OE1-OH 3.12Å; E615-Y650 PolarHBondContact OE2-OH 3.09Å; E615-R666 IonicContact OE1-CZ 2.63Å; E615-R666 IonicContact OE1-NE 3.54Å; E615-R666 PolarHBondContact OE1-NE 2.82Å; E615-R666 IonicContact OE1-NH2 3.8Å; E615-R666 PolarHBondContact OE1-NH2 2.95Å | ||
| 616 | K | 81.4 | Confident | 76.5 | Confident | 153 Ų | 153 | 63.9 Ų | 63.9 | 67% | 0.665 | 32% | 0.32 | S | S | * | . | trans | -115.6 | 124.1 | 179.4 | -68.4 | 179.1 | -178.5 | 172.1 | 0 | 110.3 | H618 S645 N646 | K616-H618 PolarHBondContact O-CD2 3.38Å; K616-H618 PolarHBondContact O-N 2.91Å; K616-S645 CarbonylContact O-C 3.59Å; K616-S645 WeakPolarHBondContact O-CA 3.35Å; K616-S645 WeakPolarHBondContact O-CB 3.35Å; K616-N646 HydrophobicContact CB-CB 4.45Å; K616-N646 PolarHBondContact N-OD1 3.1Å; K616-N646 PolarHBondContact O-N 3.02Å | ||
| 617 | F | 80 | Confident | 76.8 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 125.9 | 176.3 | -177.2 | -95.1 | 0 | 0 | 0 | 111.5 | M607 L611 G619 L643 | M607-F617 HydrophobicContact CE-CB 3.64Å; M607-F617 HydrophobicContact CE-CD1 3.53Å; M607-F617 HydrophobicContact CE-CE1 4.35Å; M607-F617 HydrophobicContact CE-CG 3.72Å; L611-F617 HydrophobicContact CD1-CB 3.69Å; L611-F617 HydrophobicContact CD1-CD2 4.39Å; L611-F617 VanDerWaalsContact CD1-N 3.32Å; F617-G619 WeakPolarHBondContact CE2-O 3.42Å; F617-G619 VanDerWaalsContact CZ-O 3.3Å; F617-G619 WeakPolarHBondContact CZ-O 3.3Å; F617-L643 HydrophobicContact CE2-CD2 4.26Å |
| 618 | H | 81.1 | Confident | 77 | Confident | 88 Ų | 88 | 56.5 Ų | 56.5 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -41.5 | 175.4 | -76.4 | -168.3 | 0 | 0 | 0 | 112 | K616 L644 T733 | K616-H618 PolarHBondContact O-CD2 3.38Å; K616-H618 PolarHBondContact O-N 2.91Å; H618-L644 HydrophobicContact CB-CD2 4.5Å; H618-L644 HydrophobicContact CB-CG 4.17Å; H618-L644 PolarHBondContact N-O 3.3Å; H618-T733 VanDerWaalsContact ND1-CG2 3.34Å; H618-T733 WeakPolarHBondContact ND1-CG2 3.46Å; H618-T733 PolarHBondContact ND1-OG1 3.32Å |
| 619 | G | 77.9 | Confident | 76.6 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 165.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F617 L644 | F617-G619 WeakPolarHBondContact CE2-O 3.42Å; F617-G619 VanDerWaalsContact CZ-O 3.3Å; F617-G619 WeakPolarHBondContact CZ-O 3.3Å; G619-L644 PolarHBondContact N-O 3.16Å; G619-L644 PolarHBondContact O-N 3.32Å |
| 620 | G | 82.3 | Confident | 75.9 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 135.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L642 | G620-L642 CarbonylContact C-O 3.56Å; G620-L642 VanDerWaalsContact CA-O 3.24Å; G620-L642 WeakPolarHBondContact CA-O 3.36Å |
| 621 | W | 86.3 | Confident | 75.2 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 137 | -168.6 | -53.6 | -91.8 | 0 | 0 | 0 | 111.3 | L623 L642 L644 I726 M729 | W621-L623 HydrophobicContact CB-CD2 4.48Å; W621-L623 HydrophobicContact CB-CG 4.28Å; W621-L642 HydrophobicContact CE3-CB 4.47Å; W621-L642 HydrophobicContact CE3-CD2 3.98Å; W621-L642 HydrophobicContact CE3-CG 4.05Å; W621-L642 HydrophobicContact CZ3-CD2 4.38Å; W621-L642 HydrophobicContact CZ3-CG 4.45Å; W621-L642 PolarHBondContact N-O 2.92Å; W621-L642 PolarHBondContact O-N 3.43Å; W621-L644 HydrophobicContact CH2-CB 4.16Å; W621-L644 HydrophobicContact CH2-CD2 4.02Å; W621-L644 HydrophobicContact CZ3-CB 3.85Å; W621-L644 HydrophobicContact CZ3-CD2 4.4Å; W621-I726 HydrophobicContact CB-CD1 4.08Å; W621-I726 HydrophobicContact CD2-CD1 4.16Å; W621-I726 HydrophobicContact CD2-CG1 3.85Å; W621-I726 HydrophobicContact CD2-CG2 4.35Å; W621-I726 HydrophobicContact CE3-CG2 4.24Å; W621-I726 HydrophobicContact CG-CD1 3.74Å; W621-I726 HydrophobicContact CG-CG1 3.89Å; W621-I726 HydrophobicContact CZ2-CG1 4.26Å; W621-I726 HydrophobicContact CZ3-CG2 4.34Å; W621-M729 HydrophobicContact CH2-CB 4.35Å; W621-M729 HydrophobicContact CH2-CG 4.33Å; W621-M729 HydrophobicContact CH2-SD 3.67Å; W621-M729 HydrophobicContact CZ2-CB 4.4Å; W621-M729 HydrophobicContact CZ2-CE 4.13Å; W621-M729 HydrophobicContact CZ2-CG 4.5Å; W621-M729 HydrophobicContact CZ2-SD 3.54Å; W621-M729 VanDerWaalsContact CZ2-SD 3.54Å |
| 622 | A | 82.3 | Confident | 74 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 623 | L | 87.1 | Confident | 72.6 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 176.7 | -177.5 | -62.1 | 176.1 | 0 | 0 | 0 | 108.5 | W621 V640 L642 M692 L708 R709 L723 I726 | W621-L623 HydrophobicContact CB-CD2 4.48Å; W621-L623 HydrophobicContact CB-CG 4.28Å; L623-V640 PolarHBondContact N-O 3.42Å; L623-V640 PolarHBondContact O-N 2.78Å; L623-L642 HydrophobicContact CD1-CB 3.91Å; L623-L642 HydrophobicContact CD1-CD2 3.8Å; L623-M692 HydrophobicContact CD1-CE 4.47Å; L623-L708 HydrophobicContact CB-CB 4.4Å; L623-L708 HydrophobicContact CD1-CB 4.08Å; L623-L708 HydrophobicContact CD1-CD1 3.81Å; L623-R709 CarbonylContact C-O 3.59Å; L623-R709 WeakPolarHBondContact CA-O 3.42Å; L623-R709 WeakPolarHBondContact CB-O 3.4Å; L623-L723 HydrophobicContact CD2-CD2 4.22Å; L623-I726 HydrophobicContact CD1-CD1 4.43Å; L623-I726 HydrophobicContact CD2-CD1 3.9Å |
| 624 | I | 86.1 | Confident | 71.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.1 | 173.4 | -74.4 | 158.9 | 0 | 0 | 0 | 109.2 | D637 V638 L708 R709 V711 | I624-D637 HydrophobicContact CD1-CB 3.95Å; I624-D637 HydrophobicContact CG1-CB 4.21Å; I624-D637 HydrophobicContact CG2-CB 3.82Å; I624-V638 VanDerWaalsContact CA-O 3.31Å; I624-V638 WeakPolarHBondContact CA-O 3.39Å; I624-L708 CarbonylContact O-C 3.52Å; I624-L708 WeakPolarHBondContact O-CA 3.34Å; I624-R709 HydrophobicContact CB-CG 4.05Å; I624-R709 HydrophobicContact CG2-CG 4.36Å; I624-R709 PolarHBondContact N-O 3.27Å; I624-R709 PolarHBondContact O-N 2.88Å; I624-V711 HydrophobicContact CD1-CB 4.34Å; I624-V711 HydrophobicContact CD1-CG1 4Å; I624-V711 HydrophobicContact CD1-CG2 3.8Å; I624-V711 HydrophobicContact CG1-CG2 3.96Å |
| 625 | D | 84.8 | Confident | 70.3 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 151.1 | 176.5 | -170.1 | 34.4 | 0 | 0 | 0 | 112.7 | D627 V638 V640 Y653 T707 | D625-D627 PolarHBondContact OD1-N 3.12Å; D625-V638 HydrophobicContact CB-CB 4.26Å; D625-V638 PolarHBondContact N-O 3.14Å; D625-V640 HydrophobicContact CB-CG2 3.91Å; D625-Y653 HydrophobicContact CB-CD1 4.46Å; D625-Y653 HydrophobicContact CB-CE1 3.92Å; D625-T707 VanDerWaalsContact OD1-O 3.08Å |
| 626 | C | 77.3 | Confident | 69.3 | Low | 15 Ų | 15 | 70.9 Ų | 70.9 | 10% | 0.101 | 38% | 0.382 | C | S | . | . | trans | -145.4 | 17.7 | -174.8 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | P628 T707 R709 | C626-P628 WeakPolarHBondContact O-CD 3.22Å; C626-T707 WeakPolarHBondContact CA-O 3.4Å; C626-T707 HydrophobicContact CB-CG2 3.94Å; C626-T707 WeakPolarHBondContact CB-O 3.47Å; C626-T707 PolarHBondContact N-O 3.23Å; C626-R709 WeakPolarHBondContact SG-CD 3.31Å; C626-R709 WeakPolarHBondContact SG-CG 3.3Å | ||
| 627 | D | 69.7 | Low | 68.8 | Low | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | trans | -74.9 | 123.7 | 167.2 | -160.8 | -58.7 | 0 | 0 | 0 | 110.6 | D625 S629 L630 S753 | D625-D627 PolarHBondContact OD1-N 3.12Å; D627-S629 PolarHBondContact O-N 2.93Å; D627-S629 PolarHBondContact OD1-N 3.48Å; D627-S629 PolarHBondContact OD1-OG 2.88Å; D627-L630 PolarHBondContact O-N 3.32Å; D627-S753 PolarHBondContact OD2-N 3.43Å; D627-S753 VanDerWaalsContact OD2-N 3.08Å | ||
| 628 | P | 57.8 | Low | 68.6 | Low | 56 Ų | 56 | 67.8 Ų | 67.8 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14 | 179.9 | -24.4 | 35.3 | 0 | 0 | 0 | 115.7 | C626 P681 | C626-P628 WeakPolarHBondContact O-CD 3.22Å; P628-P681 HydrophobicContact CG-CG 4.14Å |
| 629 | S | 53.8 | Low | 68.7 | Low | 80 Ų | 80 | 64.4 Ų | 64.4 | 56% | 0.559 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -13.1 | -177.7 | 63.8 | 0 | 0 | 0 | 0 | 115.4 | D627 | D627-S629 PolarHBondContact O-N 2.93Å; D627-S629 PolarHBondContact OD1-N 3.48Å; D627-S629 PolarHBondContact OD1-OG 2.88Å |
| 630 | L | 52.1 | Low | 69 | Low | 106 Ų | 106 | 64 Ų | 64 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -106.5 | -1.1 | -179.8 | -68.9 | 171.2 | 0 | 0 | 0 | 113.4 | D627 D632 | D627-L630 PolarHBondContact O-N 3.32Å; L630-D632 PolarHBondContact O-N 2.88Å |
| 631 | I | 50.8 | Low | 69 | Low | 98 Ų | 98 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | trans | -88.8 | 94.1 | -177 | -53.1 | 173.1 | 0 | 0 | 0 | 109.6 | ||||
| 632 | D | 46.4 | Very low | 69.1 | Low | 132 Ų | 132 | 62.4 Ų | 62.4 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | trans | -52.3 | 154.3 | 162 | -108.7 | -34.1 | 0 | 0 | 0 | 110.9 | L630 T634 | L630-D632 PolarHBondContact O-N 2.88Å; D632-T634 CarbonylContact O-C 3.55Å; D632-T634 PolarHBondContact O-N 3.17Å | ||
| 633 | A | 49.9 | Very low | 69.3 | Low | 110 Ų | 110 | 61.2 Ų | 61.2 | 91% | 0.909 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -63.2 | -3.3 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 634 | T | 52.6 | Low | 69.4 | Low | 84 Ų | 84 | 61.2 Ų | 61.2 | 52% | 0.515 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -97.3 | 118.7 | 166.8 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | D632 R636 | D632-T634 CarbonylContact O-C 3.55Å; D632-T634 PolarHBondContact O-N 3.17Å; T634-R636 PolarHBondContact O-N 3.23Å |
| 635 | H | 54.2 | Low | 69.5 | Low | 195 Ų | 195 | 61 Ų | 61 | 90% | 0.903 | 34% | 0.336 | S | S | * | . | trans | -55.1 | 99 | 174.9 | -70.2 | -68.5 | 0 | 0 | 0 | 112.4 | ||||
| 636 | R | 61.5 | Low | 69.7 | Low | 158 Ų | 158 | 62.7 Ų | 62.7 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | trans | -125.8 | 119.5 | 173.9 | -72.1 | 172 | 168.9 | -111.1 | 2.6 | 107.9 | T634 E657 | T634-R636 PolarHBondContact O-N 3.23Å; R636-E657 IonicContact CZ-OE1 3.36Å; R636-E657 VanDerWaalsContact CZ-OE1 3.24Å; R636-E657 IonicContact NH1-OE1 3.66Å; R636-E657 PolarHBondContact NH1-OE1 2.86Å; R636-E657 IonicContact NH2-OE1 2.8Å; R636-E657 PolarHBondContact NH2-OE1 2.8Å | ||
| 637 | D | 71.2 | Confident | 70.2 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | trans | -75.5 | 123.5 | 172.4 | -76 | -15.1 | 0 | 0 | 0 | 108.8 | I624 R709 | I624-D637 HydrophobicContact CD1-CB 3.95Å; I624-D637 HydrophobicContact CG1-CB 4.21Å; I624-D637 HydrophobicContact CG2-CB 3.82Å; D637-R709 IonicContact OD1-CZ 3.8Å; D637-R709 IonicContact OD1-NH2 3.81Å; D637-R709 PolarHBondContact OD1-NH2 3.23Å; D637-R709 IonicContact OD2-CZ 2.98Å; D637-R709 IonicContact OD2-NH2 3.28Å; D637-R709 PolarHBondContact OD2-NH2 3.36Å | ||
| 638 | V | 76.4 | Confident | 71.2 | Confident | 53 Ų | 53 | 63 Ų | 63 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | -89.4 | 114.1 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | I624 D625 Y653 | I624-V638 VanDerWaalsContact CA-O 3.31Å; I624-V638 WeakPolarHBondContact CA-O 3.39Å; D625-V638 HydrophobicContact CB-CB 4.26Å; D625-V638 PolarHBondContact N-O 3.14Å; V638-Y653 HydrophobicContact CG1-CD1 4.16Å | ||
| 639 | D | 81.4 | Confident | 72.8 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128 | 178.1 | -124.3 | 62.4 | 0 | 0 | 0 | 109.3 | Y654 F1072 R1076 | D639-Y654 WeakPolarHBondContact O-CB 3.42Å; D639-Y654 PolarHBondContact O-N 3.39Å; D639-F1072 WeakPolarHBondContact OD2-CD1 3.43Å; D639-R1076 IonicContact OD1-CZ 2.74Å; D639-R1076 IonicContact OD1-NH2 2.76Å; D639-R1076 PolarHBondContact OD1-NH2 2.91Å; D639-R1076 IonicContact OD2-CZ 2.71Å; D639-R1076 IonicContact OD2-NH2 3.65Å; D639-R1076 PolarHBondContact OD2-NH2 2.95Å |
| 640 | V | 84.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.1 | -178 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | L623 D625 V651 A652 Y653 L708 | L623-V640 PolarHBondContact N-O 3.42Å; L623-V640 PolarHBondContact O-N 2.78Å; D625-V640 HydrophobicContact CB-CG2 3.91Å; V640-V651 HydrophobicContact CG1-CG1 3.69Å; V640-A652 WeakPolarHBondContact CA-O 3.42Å; V640-Y653 HydrophobicContact CG2-CD1 3.67Å; V640-Y653 HydrophobicContact CG2-CE1 3.84Å; V640-Y653 HydrophobicContact CG2-CG 4.22Å; V640-L708 HydrophobicContact CB-CD2 4.28Å; V640-L708 HydrophobicContact CG1-CD2 4Å; V640-L708 HydrophobicContact CG2-CD2 4.22Å |
| 641 | L | 83.5 | Confident | 76.2 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.6 | 172.8 | -176.4 | 64.9 | 0 | 0 | 0 | 109.5 | L643 A652 | L641-L643 HydrophobicContact CD1-CD2 3.85Å; L641-L643 HydrophobicContact CD2-CD1 4.49Å; L641-L643 HydrophobicContact CD2-CD2 4.02Å; L641-L643 HydrophobicContact CD2-CG 4.38Å; L641-L643 HydrophobicContact CG-CD2 3.75Å; L641-L643 HydrophobicContact CG-CG 4.14Å; L641-A652 HydrophobicContact CB-CB 4.36Å; L641-A652 PolarHBondContact N-O 3.44Å; L641-A652 PolarHBondContact O-N 3.13Å |
| 642 | L | 87.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 170.2 | 176.2 | 67.3 | 0 | 0 | 0 | 108.7 | G620 W621 L623 Y649 Y650 V651 M692 L694 I726 | G620-L642 CarbonylContact C-O 3.56Å; G620-L642 VanDerWaalsContact CA-O 3.24Å; G620-L642 WeakPolarHBondContact CA-O 3.36Å; W621-L642 HydrophobicContact CE3-CB 4.47Å; W621-L642 HydrophobicContact CE3-CD2 3.98Å; W621-L642 HydrophobicContact CE3-CG 4.05Å; W621-L642 HydrophobicContact CZ3-CD2 4.38Å; W621-L642 HydrophobicContact CZ3-CG 4.45Å; W621-L642 PolarHBondContact N-O 2.92Å; W621-L642 PolarHBondContact O-N 3.43Å; L623-L642 HydrophobicContact CD1-CB 3.91Å; L623-L642 HydrophobicContact CD1-CD2 3.8Å; L642-Y649 HydrophobicContact CD1-CD2 3.85Å; L642-Y650 CarbonylContact C-O 2.9Å; L642-Y650 VanDerWaalsContact CA-O 3.3Å; L642-Y650 WeakPolarHBondContact CA-O 3.35Å; L642-V651 HydrophobicContact CD1-CG2 4.15Å; L642-M692 HydrophobicContact CD2-CE 4.2Å; L642-L694 HydrophobicContact CD1-CD1 4.25Å; L642-I726 HydrophobicContact CD2-CG2 3.66Å |
| 643 | L | 86.1 | Confident | 79.5 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153 | 171.2 | -45.4 | 172.6 | 0 | 0 | 0 | 110.3 | L610 F617 L641 Y649 Y650 | L610-L643 HydrophobicContact CD1-CD1 4.05Å; L610-L643 HydrophobicContact CD2-CD1 3.82Å; L610-L643 HydrophobicContact CG-CD1 3.92Å; F617-L643 HydrophobicContact CE2-CD2 4.26Å; L641-L643 HydrophobicContact CD1-CD2 3.85Å; L641-L643 HydrophobicContact CD2-CD1 4.49Å; L641-L643 HydrophobicContact CD2-CD2 4.02Å; L641-L643 HydrophobicContact CD2-CG 4.38Å; L641-L643 HydrophobicContact CG-CD2 3.75Å; L641-L643 HydrophobicContact CG-CG 4.14Å; L643-Y649 CarbonylContact O-C 3.49Å; L643-Y649 VanDerWaalsContact O-CA 3.27Å; L643-Y649 WeakPolarHBondContact O-CA 3.3Å; L643-Y649 WeakPolarHBondContact O-CB 3.47Å; L643-Y650 HydrophobicContact CB-CD2 4.3Å; L643-Y650 PolarHBondContact N-O 2.82Å; L643-Y650 PolarHBondContact O-N 3.25Å |
| 644 | L | 89.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.6 | 178.9 | 179.2 | 58 | 0 | 0 | 0 | 110.1 | H618 G619 W621 L669 M729 L730 T733 | H618-L644 HydrophobicContact CB-CD2 4.5Å; H618-L644 HydrophobicContact CB-CG 4.17Å; H618-L644 PolarHBondContact N-O 3.3Å; G619-L644 PolarHBondContact N-O 3.16Å; G619-L644 PolarHBondContact O-N 3.32Å; W621-L644 HydrophobicContact CH2-CB 4.16Å; W621-L644 HydrophobicContact CH2-CD2 4.02Å; W621-L644 HydrophobicContact CZ3-CB 3.85Å; W621-L644 HydrophobicContact CZ3-CD2 4.4Å; L644-L669 HydrophobicContact CD1-CD1 3.89Å; L644-L669 HydrophobicContact CD1-CD2 3.86Å; L644-L669 HydrophobicContact CD1-CG 4.32Å; L644-M729 HydrophobicContact CD2-CB 4.48Å; L644-M729 HydrophobicContact CD2-CG 3.97Å; L644-L730 HydrophobicContact CD1-CD2 3.7Å; L644-L730 HydrophobicContact CD2-CD2 4.09Å; L644-L730 HydrophobicContact CD2-CG 4.35Å; L644-L730 HydrophobicContact CG-CD2 4.41Å; L644-T733 HydrophobicContact CD1-CG2 4.32Å |
| 645 | S | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -174.9 | 167.6 | 77.9 | 0 | 0 | 0 | 0 | 111.1 | E615 K616 S647 A648 T733 | E615-S645 WeakPolarHBondContact OE2-CB 3.45Å; E615-S645 PolarHBondContact OE2-OG 3.31Å; K616-S645 CarbonylContact O-C 3.59Å; K616-S645 WeakPolarHBondContact O-CA 3.35Å; K616-S645 WeakPolarHBondContact O-CB 3.35Å; S645-S647 PolarHBondContact O-N 2.83Å; S645-S647 PolarHBondContact OG-N 3.18Å; S645-A648 PolarHBondContact N-O 3.05Å; S645-A648 PolarHBondContact OG-N 3.02Å; S645-A648 PolarHBondContact OG-O 2.95Å; S645-A648 VanDerWaalsContact OG-O 3.11Å; S645-T733 WeakPolarHBondContact O-CG2 3.45Å |
| 646 | N | 88 | Confident | 82 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -70.2 | -7.9 | 172.2 | 65 | -51.5 | 0 | 0 | 0 | 115.3 | E615 K616 | E615-N646 WeakPolarHBondContact CA-OD1 3.08Å; K616-N646 HydrophobicContact CB-CB 4.45Å; K616-N646 PolarHBondContact N-OD1 3.1Å; K616-N646 PolarHBondContact O-N 3.02Å |
| 647 | S | 87.8 | Confident | 82 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -141 | -19.7 | -176.6 | 62.1 | 0 | 0 | 0 | 0 | 115.1 | S645 L669 | S645-S647 PolarHBondContact O-N 2.83Å; S645-S647 PolarHBondContact OG-N 3.18Å; S647-L669 PolarHBondContact O-N 3.36Å |
| 648 | A | 90.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S645 Y650 R666 L667 | S645-A648 PolarHBondContact N-O 3.05Å; S645-A648 PolarHBondContact OG-N 3.02Å; S645-A648 PolarHBondContact OG-O 2.95Å; S645-A648 VanDerWaalsContact OG-O 3.11Å; A648-Y650 HydrophobicContact CB-CE2 4.07Å; A648-R666 HydrophobicContact CB-CG 3.94Å; A648-L667 CarbonylContact C-O 3.55Å; A648-L667 VanDerWaalsContact CA-O 3.24Å; A648-L667 WeakPolarHBondContact CA-O 3.12Å; A648-L667 VanDerWaalsContact CB-O 3.32Å; A648-L667 WeakPolarHBondContact CB-O 3.24Å |
| 649 | Y | 92.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 154.7 | 162.2 | 73.8 | -80.8 | 0 | 0 | 0 | 110.2 | L642 L643 V651 L667 L669 L672 L694 Y696 L730 | L642-Y649 HydrophobicContact CD1-CD2 3.85Å; L643-Y649 CarbonylContact O-C 3.49Å; L643-Y649 VanDerWaalsContact O-CA 3.27Å; L643-Y649 WeakPolarHBondContact O-CA 3.3Å; L643-Y649 WeakPolarHBondContact O-CB 3.47Å; Y649-V651 HydrophobicContact CD2-CG2 3.92Å; Y649-V651 HydrophobicContact CE2-CG2 3.8Å; Y649-L667 HydrophobicContact CD1-CB 3.97Å; Y649-L667 HydrophobicContact CE1-CB 3.51Å; Y649-L667 HydrophobicContact CE1-CD1 4.37Å; Y649-L667 HydrophobicContact CE2-CB 4.13Å; Y649-L667 HydrophobicContact CE2-CD1 3.77Å; Y649-L667 HydrophobicContact CG-CB 4.46Å; Y649-L667 PolarHBondContact N-O 2.98Å; Y649-L667 PolarHBondContact O-N 3.41Å; Y649-L667 WeakPolarHBondContact OH-CD1 3.43Å; Y649-L669 HydrophobicContact CD1-CD2 3.97Å; Y649-L672 HydrophobicContact CE1-CB 4.07Å; Y649-L672 HydrophobicContact CE1-CD1 3.95Å; Y649-L672 HydrophobicContact CE1-CG 4.4Å; Y649-L694 HydrophobicContact CD2-CD1 4.39Å; Y649-L694 HydrophobicContact CE2-CD1 4.01Å; Y649-Y696 WeakPolarHBondContact OH-CB 3.46Å; Y649-L730 HydrophobicContact CG-CD2 4.48Å |
| 650 | Y | 88.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.1 | -173 | -60.9 | -105.1 | 0 | 0 | 0 | 109.5 | L611 P612 E615 L642 L643 A648 Y664 Q665 R666 | L611-Y650 HydrophobicContact CD2-CD2 4.1Å; L611-Y650 HydrophobicContact CD2-CE1 4.42Å; L611-Y650 HydrophobicContact CD2-CE2 3.37Å; P612-Y650 WeakPolarHBondContact CD-OH 3.41Å; E615-Y650 VanDerWaalsContact CD-OH 3.25Å; E615-Y650 PolarHBondContact OE1-OH 3.49Å; E615-Y650 VanDerWaalsContact OE1-OH 3.12Å; E615-Y650 PolarHBondContact OE2-OH 3.09Å; L642-Y650 CarbonylContact C-O 2.9Å; L642-Y650 VanDerWaalsContact CA-O 3.3Å; L642-Y650 WeakPolarHBondContact CA-O 3.35Å; L643-Y650 HydrophobicContact CB-CD2 4.3Å; L643-Y650 PolarHBondContact N-O 2.82Å; L643-Y650 PolarHBondContact O-N 3.25Å; A648-Y650 HydrophobicContact CB-CE2 4.07Å; Y650-Y664 HydrophobicContact CD1-CE2 4.04Å; Y650-Y664 AromaticContact CD1-CZ 3.77Å; Y650-Y664 VanDerWaalsContact CD1-OH 3.22Å; Y650-Y664 WeakPolarHBondContact CD1-OH 3.42Å; Y650-Y664 VanDerWaalsContact CE1-OH 3.27Å; Y650-Y664 WeakPolarHBondContact CE1-OH 3.43Å; Y650-Q665 CarbonylContact C-O 3.58Å; Y650-Q665 VanDerWaalsContact CA-O 3.25Å; Y650-Q665 WeakPolarHBondContact CA-O 3.42Å; Y650-R666 HydrophobicContact CD1-CB 3.74Å; Y650-R666 HydrophobicContact CD1-CG 3.98Å; Y650-R666 HydrophobicContact CE1-CB 3.61Å; Y650-R666 HydrophobicContact CE1-CG 3.48Å; Y650-R666 VanDerWaalsContact CE1-CG 3.48Å; Y650-R666 HydrophobicContact CE2-CG 4.38Å; Y650-R666 PolarHBondContact OH-NE 3.35Å |
| 651 | V | 88.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119 | 175.7 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | V640 L642 Y649 Y653 Q665 | V640-V651 HydrophobicContact CG1-CG1 3.69Å; L642-V651 HydrophobicContact CD1-CG2 4.15Å; Y649-V651 HydrophobicContact CD2-CG2 3.92Å; Y649-V651 HydrophobicContact CE2-CG2 3.8Å; V651-Y653 HydrophobicContact CG1-CD2 4.09Å; V651-Y653 HydrophobicContact CG1-CE2 3.56Å; V651-Q665 PolarHBondContact N-O 3Å; V651-Q665 PolarHBondContact O-N 3.5Å |
| 652 | A | 83.3 | Confident | 78.6 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V640 L641 V661 Q663 Y664 | V640-A652 WeakPolarHBondContact CA-O 3.42Å; L641-A652 HydrophobicContact CB-CB 4.36Å; L641-A652 PolarHBondContact N-O 3.44Å; L641-A652 PolarHBondContact O-N 3.13Å; A652-V661 HydrophobicContact CB-CG1 4.08Å; A652-Q663 CarbonylContact C-O 3.56Å; A652-Q663 WeakPolarHBondContact CA-O 3.42Å; A652-Y664 HydrophobicContact CB-CD2 4.08Å |
| 653 | Y | 82.5 | Confident | 77.9 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.6 | 177.7 | -70.4 | -104.8 | 0 | 0 | 0 | 109.5 | D625 V638 V640 V651 V661 N662 Q663 H706 | D625-Y653 HydrophobicContact CB-CD1 4.46Å; D625-Y653 HydrophobicContact CB-CE1 3.92Å; V638-Y653 HydrophobicContact CG1-CD1 4.16Å; V640-Y653 HydrophobicContact CG2-CD1 3.67Å; V640-Y653 HydrophobicContact CG2-CE1 3.84Å; V640-Y653 HydrophobicContact CG2-CG 4.22Å; V651-Y653 HydrophobicContact CG1-CD2 4.09Å; V651-Y653 HydrophobicContact CG1-CE2 3.56Å; Y653-V661 CarbonylContact O-C 3.45Å; Y653-V661 WeakPolarHBondContact O-CA 3.39Å; Y653-N662 PolarHBondContact O-N 3.41Å; Y653-Q663 HydrophobicContact CD2-CB 4.14Å; Y653-Q663 HydrophobicContact CG-CB 4.44Å; Y653-Q663 PolarHBondContact N-O 2.88Å; Y653-Q663 PolarHBondContact O-N 3.31Å; Y653-H706 AromaticContact CE2-ND1 3.89Å; Y653-H706 AromaticContact CZ-ND1 3.86Å; Y653-H706 PolarHBondContact OH-ND1 3.23Å |
| 654 | Y | 74.8 | Confident | 77.7 | Confident | 37 Ų | 37 | 50 Ų | 50 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.2 | -174.4 | -153.9 | -105.3 | 0 | 0 | 0 | 112.9 | D639 D659 K660 V661 F1072 | D639-Y654 WeakPolarHBondContact O-CB 3.42Å; D639-Y654 PolarHBondContact O-N 3.39Å; Y654-D659 VanDerWaalsContact CZ-C 3.43Å; Y654-D659 PolarHBondContact OH-O 2.99Å; Y654-D659 PolarHBondContact OH-OD1 2.87Å; Y654-D659 VanDerWaalsContact OH-OD1 3.1Å; Y654-K660 VanDerWaalsContact CD2-C 3.43Å; Y654-K660 WeakPolarHBondContact CD2-O 3.43Å; Y654-V661 HydrophobicContact CD2-CG2 3.9Å; Y654-V661 HydrophobicContact CE2-CG2 4.14Å; Y654-F1072 AromaticContact CD1-CD2 3.84Å; Y654-F1072 HydrophobicContact CD1-CD2 3.84Å; Y654-F1072 AromaticContact CD1-CE2 3.55Å; Y654-F1072 HydrophobicContact CD1-CE2 3.55Å; Y654-F1072 HydrophobicContact CD1-CZ 4.05Å; Y654-F1072 AromaticContact CD2-CE2 3.67Å; Y654-F1072 HydrophobicContact CD2-CE2 3.67Å; Y654-F1072 AromaticContact CD2-CZ 3.83Å; Y654-F1072 HydrophobicContact CD2-CZ 3.83Å; Y654-F1072 AromaticContact CE1-CD2 3.59Å; Y654-F1072 HydrophobicContact CE1-CD2 3.59Å; Y654-F1072 AromaticContact CE1-CE2 3.44Å; Y654-F1072 HydrophobicContact CE1-CE2 3.44Å; Y654-F1072 VanDerWaalsContact CE1-CE2 3.44Å; Y654-F1072 HydrophobicContact CE1-CZ 4.36Å; Y654-F1072 AromaticContact CE2-CE2 3.59Å; Y654-F1072 HydrophobicContact CE2-CE2 3.59Å; Y654-F1072 HydrophobicContact CE2-CZ 4.19Å; Y654-F1072 HydrophobicContact CG-CD2 4.38Å; Y654-F1072 AromaticContact CG-CE2 3.65Å; Y654-F1072 HydrophobicContact CG-CE2 3.65Å; Y654-F1072 AromaticContact CG-CZ 3.76Å; Y654-F1072 HydrophobicContact CG-CZ 3.76Å; Y654-F1072 AromaticContact CZ-CD2 3.96Å; Y654-F1072 AromaticContact CZ-CE2 3.45Å; Y654-F1072 VanDerWaalsContact CZ-CE2 3.45Å |
| 655 | D | 72.3 | Confident | 77.5 | Confident | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 112.7 | 172.4 | -173.7 | -37 | 0 | 0 | 0 | 109.7 | E657 V658 D659 K660 N662 | D655-E657 VanDerWaalsContact C-N 3.34Å; D655-E657 WeakPolarHBondContact OD1-CA 3.29Å; D655-E657 PolarHBondContact OD1-N 3.41Å; D655-V658 HydrophobicContact CB-CB 4.22Å; D655-V658 PolarHBondContact OD1-N 3.11Å; D655-V658 WeakPolarHBondContact OD2-CG2 3.33Å; D655-D659 WeakPolarHBondContact O-CA 3.39Å; D655-D659 PolarHBondContact O-N 3.26Å; D655-K660 PolarHBondContact N-O 3.03Å; D655-K660 PolarHBondContact O-N 3.22Å; D655-N662 HydrophobicContact CB-CB 4.4Å |
| 656 | D | 63.3 | Low | 77.5 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.5 | -175.5 | -135.4 | 20.9 | 0 | 0 | 0 | 113 | S1070 | D656-S1070 VanDerWaalsContact OD1-CB 3.25Å; D656-S1070 WeakPolarHBondContact OD1-CB 3.32Å; D656-S1070 PolarHBondContact OD1-OG 3.01Å |
| 657 | E | 60 | Low | 77.6 | Confident | 142 Ų | 142 | 51.2 Ų | 51.2 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -32.4 | 171.8 | -69.9 | -164.8 | -166 | 0 | 0 | 112.1 | R636 D655 | R636-E657 IonicContact CZ-OE1 3.36Å; R636-E657 VanDerWaalsContact CZ-OE1 3.24Å; R636-E657 IonicContact NH1-OE1 3.66Å; R636-E657 PolarHBondContact NH1-OE1 2.86Å; R636-E657 IonicContact NH2-OE1 2.8Å; R636-E657 PolarHBondContact NH2-OE1 2.8Å; D655-E657 VanDerWaalsContact C-N 3.34Å; D655-E657 WeakPolarHBondContact OD1-CA 3.29Å; D655-E657 PolarHBondContact OD1-N 3.41Å |
| 658 | V | 62.4 | Low | 77.7 | Confident | 75 Ų | 75 | 51 Ų | 51 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.5 | -177.8 | -171.7 | 0 | 0 | 0 | 0 | 113.1 | D655 K660 | D655-V658 HydrophobicContact CB-CB 4.22Å; D655-V658 PolarHBondContact OD1-N 3.11Å; D655-V658 WeakPolarHBondContact OD2-CG2 3.33Å; V658-K660 VanDerWaalsContact C-N 3.34Å; V658-K660 HydrophobicContact CG1-CB 4.33Å; V658-K660 HydrophobicContact CG1-CD 3.77Å; V658-K660 HydrophobicContact CG1-CG 4.15Å |
| 659 | D | 60.2 | Low | 77.7 | Confident | 81 Ų | 81 | 51 Ų | 51 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 40.9 | -178.1 | -156.3 | 39.3 | 0 | 0 | 0 | 112 | Y654 D655 P1071 | Y654-D659 VanDerWaalsContact CZ-C 3.43Å; Y654-D659 PolarHBondContact OH-O 2.99Å; Y654-D659 PolarHBondContact OH-OD1 2.87Å; Y654-D659 VanDerWaalsContact OH-OD1 3.1Å; D655-D659 WeakPolarHBondContact O-CA 3.39Å; D655-D659 PolarHBondContact O-N 3.26Å; D659-P1071 VanDerWaalsContact OD1-CD 3.3Å; D659-P1071 WeakPolarHBondContact OD1-CD 3.25Å; D659-P1071 VanDerWaalsContact OD1-CG 3.31Å; D659-P1071 WeakPolarHBondContact OD1-CG 3.24Å |
| 660 | K | 69 | Low | 77.6 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 154.2 | -174.5 | -68.8 | 178.7 | -156.2 | 158.2 | 0 | 113.1 | Y654 D655 V658 N662 | Y654-K660 VanDerWaalsContact CD2-C 3.43Å; Y654-K660 WeakPolarHBondContact CD2-O 3.43Å; D655-K660 PolarHBondContact N-O 3.03Å; D655-K660 PolarHBondContact O-N 3.22Å; V658-K660 VanDerWaalsContact C-N 3.34Å; V658-K660 HydrophobicContact CG1-CB 4.33Å; V658-K660 HydrophobicContact CG1-CD 3.77Å; V658-K660 HydrophobicContact CG1-CG 4.15Å; K660-N662 PolarHBondContact O-N 3.43Å |
| 661 | V | 68.4 | Low | 77.6 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 47% | 0.473 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.9 | 163.7 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | A652 Y653 Y654 Q663 | A652-V661 HydrophobicContact CB-CG1 4.08Å; Y653-V661 CarbonylContact O-C 3.45Å; Y653-V661 WeakPolarHBondContact O-CA 3.39Å; Y654-V661 HydrophobicContact CD2-CG2 3.9Å; Y654-V661 HydrophobicContact CE2-CG2 4.14Å; V661-Q663 WeakPolarHBondContact CG1-O 3.46Å |
| 662 | N | 66.5 | Low | 77.8 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 66% | 0.663 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -38 | 179.8 | -164.9 | 10.7 | 0 | 0 | 0 | 111.3 | Y653 D655 K660 | Y653-N662 PolarHBondContact O-N 3.41Å; D655-N662 HydrophobicContact CB-CB 4.4Å; K660-N662 PolarHBondContact O-N 3.43Å |
| 663 | Q | 74.3 | Confident | 78.2 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.3 | 175.4 | -161.9 | 175.2 | 13.9 | 0 | 0 | 111.3 | A652 Y653 V661 H756 D758 | A652-Q663 CarbonylContact C-O 3.56Å; A652-Q663 WeakPolarHBondContact CA-O 3.42Å; Y653-Q663 HydrophobicContact CD2-CB 4.14Å; Y653-Q663 HydrophobicContact CG-CB 4.44Å; Y653-Q663 PolarHBondContact N-O 2.88Å; Y653-Q663 PolarHBondContact O-N 3.31Å; V661-Q663 WeakPolarHBondContact CG1-O 3.46Å; Q663-H756 PolarHBondContact NE2-O 3.31Å; Q663-D758 WeakPolarHBondContact CG-OD1 3.36Å |
| 664 | Y | 81.6 | Confident | 78.7 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 126.1 | -179.8 | 174.4 | -96.3 | 0 | 0 | 0 | 112.5 | Y650 A652 D758 | Y650-Y664 HydrophobicContact CD1-CE2 4.04Å; Y650-Y664 AromaticContact CD1-CZ 3.77Å; Y650-Y664 VanDerWaalsContact CD1-OH 3.22Å; Y650-Y664 WeakPolarHBondContact CD1-OH 3.42Å; Y650-Y664 VanDerWaalsContact CE1-OH 3.27Å; Y650-Y664 WeakPolarHBondContact CE1-OH 3.43Å; A652-Y664 HydrophobicContact CB-CD2 4.08Å; Y664-D758 PolarHBondContact N-OD1 2.79Å |
| 665 | Q | 84.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.1 | 175.4 | -66.9 | -179.7 | -37.1 | 0 | 0 | 111.3 | Y650 V651 Y696 H706 E757 I759 | Y650-Q665 CarbonylContact C-O 3.58Å; Y650-Q665 VanDerWaalsContact CA-O 3.25Å; Y650-Q665 WeakPolarHBondContact CA-O 3.42Å; V651-Q665 PolarHBondContact N-O 3Å; V651-Q665 PolarHBondContact O-N 3.5Å; Q665-Y696 PolarHBondContact NE2-OH 3.41Å; Q665-H706 PolarHBondContact OE1-CE1 2.86Å; Q665-H706 PolarHBondContact OE1-NE2 2.9Å; Q665-H706 VanDerWaalsContact OE1-NE2 3.17Å; Q665-E757 PolarHBondContact NE2-O 2.77Å; Q665-I759 HydrophobicContact CG-CD1 4.38Å; Q665-I759 HydrophobicContact CG-CG1 4.16Å |
| 666 | R | 88.6 | Confident | 80.8 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 28% | 0.275 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.2 | 159.7 | 177.3 | -175.7 | 174.7 | -81.6 | 5.6 | 107.5 | E615 A648 Y650 I760 | E615-R666 IonicContact OE1-CZ 2.63Å; E615-R666 IonicContact OE1-NE 3.54Å; E615-R666 PolarHBondContact OE1-NE 2.82Å; E615-R666 IonicContact OE1-NH2 3.8Å; E615-R666 PolarHBondContact OE1-NH2 2.95Å; A648-R666 HydrophobicContact CB-CG 3.94Å; Y650-R666 HydrophobicContact CD1-CB 3.74Å; Y650-R666 HydrophobicContact CD1-CG 3.98Å; Y650-R666 HydrophobicContact CE1-CB 3.61Å; Y650-R666 HydrophobicContact CE1-CG 3.48Å; Y650-R666 VanDerWaalsContact CE1-CG 3.48Å; Y650-R666 HydrophobicContact CE2-CG 4.38Å; Y650-R666 PolarHBondContact OH-NE 3.35Å; R666-I760 HydrophobicContact CB-CD1 4.39Å |
| 667 | L | 89.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.1 | -178.1 | -76.5 | 164.4 | 0 | 0 | 0 | 109.6 | A648 Y649 Y696 I759 | A648-L667 CarbonylContact C-O 3.55Å; A648-L667 VanDerWaalsContact CA-O 3.24Å; A648-L667 WeakPolarHBondContact CA-O 3.12Å; A648-L667 VanDerWaalsContact CB-O 3.32Å; A648-L667 WeakPolarHBondContact CB-O 3.24Å; Y649-L667 HydrophobicContact CD1-CB 3.97Å; Y649-L667 HydrophobicContact CE1-CB 3.51Å; Y649-L667 HydrophobicContact CE1-CD1 4.37Å; Y649-L667 HydrophobicContact CE2-CB 4.13Å; Y649-L667 HydrophobicContact CE2-CD1 3.77Å; Y649-L667 HydrophobicContact CG-CB 4.46Å; Y649-L667 PolarHBondContact N-O 2.98Å; Y649-L667 PolarHBondContact O-N 3.41Å; Y649-L667 WeakPolarHBondContact OH-CD1 3.43Å; L667-Y696 HydrophobicContact CD1-CD1 4.13Å; L667-Y696 HydrophobicContact CD1-CD2 3.95Å; L667-Y696 HydrophobicContact CD1-CE1 4.16Å; L667-Y696 HydrophobicContact CD1-CE2 3.98Å; L667-Y696 HydrophobicContact CD1-CG 4.02Å; L667-Y696 HydrophobicContact CD2-CD2 3.4Å; L667-Y696 VanDerWaalsContact CD2-CD2 3.4Å; L667-Y696 HydrophobicContact CD2-CE2 3.54Å; L667-Y696 HydrophobicContact CD2-CG 4.18Å; L667-Y696 HydrophobicContact CG-CD2 4.34Å; L667-Y696 HydrophobicContact CG-CE2 4.44Å; L667-I759 HydrophobicContact CD2-CD1 3.32Å; L667-I759 HydrophobicContact CG-CD1 4.07Å |
| 668 | S | 89.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 49 Ų | 49 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 140.6 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | E670 D671 | S668-E670 PolarHBondContact O-N 3.4Å; S668-E670 WeakPolarHBondContact OG-CB 3.41Å; S668-E670 PolarHBondContact OG-N 3.13Å; S668-E670 PolarHBondContact OG-OE2 2.89Å; S668-D671 WeakPolarHBondContact CB-OD2 3.37Å; S668-D671 PolarHBondContact O-N 2.87Å |
| 669 | L | 90.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.7 | 169.8 | -75.8 | 170 | 0 | 0 | 0 | 111.6 | L644 S647 Y649 L672 L730 T733 K734 M737 | L644-L669 HydrophobicContact CD1-CD1 3.89Å; L644-L669 HydrophobicContact CD1-CD2 3.86Å; L644-L669 HydrophobicContact CD1-CG 4.32Å; S647-L669 PolarHBondContact O-N 3.36Å; Y649-L669 HydrophobicContact CD1-CD2 3.97Å; L669-L672 HydrophobicContact CD2-CD2 4.38Å; L669-L672 PolarHBondContact O-N 2.78Å; L669-L730 HydrophobicContact CD2-CD2 3.97Å; L669-T733 HydrophobicContact CD1-CG2 3.61Å; L669-K734 HydrophobicContact CB-CG 4.33Å; L669-K734 VanDerWaalsContact O-CD 3.31Å; L669-K734 WeakPolarHBondContact O-CD 3.34Å; L669-K734 VanDerWaalsContact O-CE 3.25Å; L669-K734 WeakPolarHBondContact O-CE 3.43Å; L669-K734 PolarHBondContact O-NZ 2.84Å; L669-M737 HydrophobicContact CB-CE 4.37Å; L669-M737 HydrophobicContact CB-SD 3.62Å; L669-M737 HydrophobicContact CD1-SD 3.74Å; L669-M737 HydrophobicContact CG-SD 4.32Å |
| 670 | E | 89.5 | Confident | 85.8 | Confident | 135 Ų | 135 | 45.8 Ų | 45.8 | 63% | 0.631 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -44.1 | 172.4 | -61 | 170.9 | 146.8 | 0 | 0 | 111.6 | S668 L672 K734 M737 | S668-E670 PolarHBondContact O-N 3.4Å; S668-E670 WeakPolarHBondContact OG-CB 3.41Å; S668-E670 PolarHBondContact OG-N 3.13Å; S668-E670 PolarHBondContact OG-OE2 2.89Å; E670-L672 VanDerWaalsContact C-N 3.27Å; E670-L672 PolarHBondContact O-N 3.32Å; E670-K734 PolarHBondContact O-NZ 3.3Å; E670-M737 HydrophobicContact CG-CE 4.12Å |
| 671 | D | 90.4 | Very high | 85.9 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.4 | -179 | -71.9 | -54.5 | 0 | 0 | 0 | 114.2 | S668 E673 Y696 R697 | S668-D671 WeakPolarHBondContact CB-OD2 3.37Å; S668-D671 PolarHBondContact O-N 2.87Å; D671-E673 WeakPolarHBondContact O-CG 3.41Å; D671-E673 PolarHBondContact O-N 3.49Å; D671-E673 VanDerWaalsContact O-N 3.09Å; D671-Y696 CarbonylContact O-C 3.6Å; D671-Y696 VanDerWaalsContact O-CA 3.31Å; D671-Y696 WeakPolarHBondContact O-CA 3.49Å; D671-R697 HydrophobicContact CB-CB 4.34Å; D671-R697 PolarHBondContact O-N 3.19Å |
| 672 | L | 92.6 | Very high | 86 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 101.3 | 177.8 | -174.7 | 68.9 | 0 | 0 | 0 | 110.5 | Y649 L669 E670 I675 L694 L730 K734 V741 | Y649-L672 HydrophobicContact CE1-CB 4.07Å; Y649-L672 HydrophobicContact CE1-CD1 3.95Å; Y649-L672 HydrophobicContact CE1-CG 4.4Å; L669-L672 HydrophobicContact CD2-CD2 4.38Å; L669-L672 PolarHBondContact O-N 2.78Å; E670-L672 VanDerWaalsContact C-N 3.27Å; E670-L672 PolarHBondContact O-N 3.32Å; L672-I675 HydrophobicContact CD2-CD1 4.35Å; L672-I675 HydrophobicContact CD2-CG1 4.44Å; L672-L694 HydrophobicContact CD1-CB 4.03Å; L672-L694 HydrophobicContact CD1-CD2 4.33Å; L672-L730 HydrophobicContact CD2-CB 4.46Å; L672-L730 HydrophobicContact CD2-CD2 4.47Å; L672-K734 PolarHBondContact O-NZ 3.21Å; L672-V741 HydrophobicContact CD2-CG1 4.37Å; L672-V741 HydrophobicContact CD2-CG2 4.18Å; L672-V741 HydrophobicContact CG-CG2 4.07Å |
| 673 | E | 91.5 | Very high | 85.9 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -38.9 | -169.9 | -57.6 | -163.9 | 129 | 0 | 0 | 113.1 | D671 H695 R697 S702 | D671-E673 WeakPolarHBondContact O-CG 3.41Å; D671-E673 PolarHBondContact O-N 3.49Å; D671-E673 VanDerWaalsContact O-N 3.09Å; E673-H695 PolarHBondContact N-O 2.88Å; E673-R697 HydrophobicContact CG-CB 4.21Å; E673-R697 IonicContact OE1-CZ 3.2Å; E673-R697 VanDerWaalsContact OE1-CZ 3.23Å; E673-R697 IonicContact OE1-NE 3.01Å; E673-R697 PolarHBondContact OE1-NE 3.42Å; E673-R697 IonicContact OE1-NH2 2.72Å; E673-R697 PolarHBondContact OE1-NH2 2.89Å; E673-S702 WeakPolarHBondContact OE2-CB 3.45Å |
| 674 | K | 93.1 | Very high | 85.1 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 158.8 | -178.7 | 56.1 | 176.8 | 174 | 164.6 | 0 | 111.4 | E676 H695 P742 I744 | K674-E676 HydrophobicContact CD-CG 4.27Å; K674-E676 WeakPolarHBondContact CE-OE1 3.42Å; K674-E676 IonicContact NZ-OE1 2.73Å; K674-E676 PolarHBondContact NZ-OE1 3.19Å; K674-H695 VanDerWaalsContact CE-CG 3.45Å; K674-H695 WeakPolarHBondContact CE-ND1 3.47Å; K674-H695 HydrophobicContact CG-CB 3.67Å; K674-H695 PolarHBondContact O-N 3.47Å; K674-P742 HydrophobicContact CB-CG 3.89Å; K674-I744 HydrophobicContact CD-CD1 4.28Å |
| 675 | I | 95.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.7 | 170.8 | -53.5 | -178.7 | 0 | 0 | 0 | 108.5 | L672 I677 M692 R693 L694 A727 L730 V741 P742 I743 I744 | L672-I675 HydrophobicContact CD2-CD1 4.35Å; L672-I675 HydrophobicContact CD2-CG1 4.44Å; I675-I677 HydrophobicContact CG2-CG1 4.29Å; I675-M692 HydrophobicContact CG2-CG 3.58Å; I675-M692 HydrophobicContact CG2-SD 4.07Å; I675-R693 WeakPolarHBondContact CA-O 3.48Å; I675-L694 HydrophobicContact CB-CD2 4.44Å; I675-L694 HydrophobicContact CD1-CD2 3.89Å; I675-L694 HydrophobicContact CG1-CD2 3.78Å; I675-L694 HydrophobicContact CG2-CD2 4.03Å; I675-A727 HydrophobicContact CD1-CB 3.87Å; I675-A727 HydrophobicContact CG2-CB 3.84Å; I675-L730 HydrophobicContact CD1-CB 3.9Å; I675-L730 HydrophobicContact CD1-CD1 3.93Å; I675-V741 HydrophobicContact CG1-CG2 4.11Å; I675-P742 PolarHBondContact N-O 3.35Å; I675-I743 HydrophobicContact CB-CG1 4.49Å; I675-I743 CarbonylContact O-C 3.59Å; I675-I743 WeakPolarHBondContact O-CA 3.25Å; I675-I744 PolarHBondContact O-N 2.67Å |
| 676 | E | 94.3 | Very high | 83.8 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.8 | 175.5 | -58.3 | -180 | 158.7 | 0 | 0 | 109.7 | K674 M692 R693 H695 I744 K746 L748 | K674-E676 HydrophobicContact CD-CG 4.27Å; K674-E676 WeakPolarHBondContact CE-OE1 3.42Å; K674-E676 IonicContact NZ-OE1 2.73Å; K674-E676 PolarHBondContact NZ-OE1 3.19Å; E676-M692 CarbonylContact O-C 3.58Å; E676-R693 HydrophobicContact CB-CB 4.33Å; E676-R693 PolarHBondContact N-O 2.99Å; E676-R693 PolarHBondContact O-N 3.37Å; E676-H695 IonicContact OE1-NE2 2.86Å; E676-H695 IonicContact OE2-CD2 2.7Å; E676-H695 IonicContact OE2-CE1 3.7Å; E676-H695 IonicContact OE2-NE2 3.54Å; E676-H695 PolarHBondContact OE2-NE2 3.36Å; E676-I744 CarbonylContact C-O 3.59Å; E676-I744 WeakPolarHBondContact CA-O 3.43Å; E676-I744 HydrophobicContact CG-CB 4.42Å; E676-K746 VanDerWaalsContact OE1-CE 3.22Å; E676-K746 WeakPolarHBondContact OE1-CE 3.38Å; E676-K746 IonicContact OE1-NZ 2.61Å; E676-K746 PolarHBondContact OE1-NZ 3.26Å; E676-K746 WeakPolarHBondContact OE2-CE 3.47Å; E676-K746 IonicContact OE2-NZ 2.73Å; E676-K746 PolarHBondContact OE2-NZ 3.44Å; E676-L748 HydrophobicContact CB-CD2 3.86Å |
| 677 | I | 93.4 | Very high | 83.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.1 | 179.2 | -66.5 | 174.4 | 0 | 0 | 0 | 109.7 | I675 C691 M692 K720 A727 I743 I744 E745 K746 | I675-I677 HydrophobicContact CG2-CG1 4.29Å; I677-C691 WeakPolarHBondContact CA-O 3.49Å; I677-M692 HydrophobicContact CG1-CB 4.23Å; I677-M692 HydrophobicContact CG1-CG 4.11Å; I677-K720 HydrophobicContact CG2-CG 4.19Å; I677-A727 HydrophobicContact CD1-CB 3.84Å; I677-I743 HydrophobicContact CD1-CG2 4.09Å; I677-I744 PolarHBondContact N-O 2.97Å; I677-E745 WeakPolarHBondContact O-CA 3.31Å; I677-K746 PolarHBondContact O-N 3.35Å; I677-K746 VanDerWaalsContact O-O 3.07Å |
| 678 | G | 89.8 | Confident | 82.4 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -174.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C691 K746 | G678-C691 PolarHBondContact N-O 2.91Å; G678-C691 PolarHBondContact O-N 3.19Å; G678-K746 WeakPolarHBondContact CA-O 3.29Å |
| 679 | P | 86.6 | Confident | 82.1 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 145.4 | -173.6 | -24.3 | 34.2 | 0 | 0 | 0 | 113.6 | P687 | P679-P687 HydrophobicContact CB-CB 3.81Å; P679-P687 HydrophobicContact CB-CG 3.76Å |
| 680 | E | 81.3 | Confident | 82 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | trans | -51.5 | 139.5 | -177.8 | 56.7 | 172.7 | -172.5 | 0 | 0 | 113.8 | T682 P687 K688 F689 | E680-T682 VanDerWaalsContact CD-CG2 3.48Å; E680-T682 HydrophobicContact CG-CG2 3.78Å; E680-T682 PolarHBondContact O-N 3.2Å; E680-T682 VanDerWaalsContact OE1-CG2 3.29Å; E680-T682 WeakPolarHBondContact OE1-CG2 3.25Å; E680-P687 HydrophobicContact CG-CB 3.47Å; E680-P687 VanDerWaalsContact CG-CB 3.47Å; E680-P687 WeakPolarHBondContact OE1-CA 3.29Å; E680-K688 PolarHBondContact OE1-N 3.41Å; E680-F689 PolarHBondContact N-O 3.34Å | ||
| 681 | P | 71.9 | Confident | 82.1 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | trans | -78.9 | 44.5 | -175.1 | 34.6 | -37.7 | 0 | 0 | 0 | 113.3 | P628 R750 | P628-P681 HydrophobicContact CG-CG 4.14Å; P681-R750 HydrophobicContact CB-CG 4.3Å | ||
| 682 | T | 69.8 | Low | 82.3 | Confident | 39 Ų | 39 | 53 Ų | 53 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | trans | -52.9 | 144.7 | -177.8 | 39.4 | 0 | 0 | 0 | 0 | 113.3 | E680 R750 | E680-T682 VanDerWaalsContact CD-CG2 3.48Å; E680-T682 HydrophobicContact CG-CG2 3.78Å; E680-T682 PolarHBondContact O-N 3.2Å; E680-T682 VanDerWaalsContact OE1-CG2 3.29Å; E680-T682 WeakPolarHBondContact OE1-CG2 3.25Å; T682-R750 PolarHBondContact O-NE 3.43Å; T682-R750 PolarHBondContact O-NH2 3.16Å | ||
| 683 | L | 63.8 | Low | 82.3 | Confident | 122 Ų | 122 | 53.1 Ų | 53.1 | 64% | 0.639 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.5 | -50.3 | 176.2 | -65.5 | 172.1 | 0 | 0 | 0 | 111.5 | R750 | L683-R750 PolarHBondContact O-NH2 3.12Š|
| 684 | F | 58.5 | Low | 82.4 | Confident | 194 Ų | 194 | 50.6 Ų | 50.6 | 85% | 0.851 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -134.9 | 151 | 178.8 | -65.9 | -86 | 0 | 0 | 0 | 111 | ||
| 685 | G | 64.8 | Low | 82.4 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 74% | 0.742 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 100.7 | -172.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 686 | K | 73.5 | Confident | 82.2 | Confident | 189 Ų | 189 | 48.7 Ų | 48.7 | 82% | 0.822 | 26% | 0.258 | S | S | * | . | trans | -90.2 | 139.9 | 166.6 | -68.5 | -177.4 | 178.1 | -178.5 | 0 | 108.6 | ||||
| 687 | P | 74.6 | Confident | 82 | Confident | 66 Ų | 66 | 54 Ų | 54 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | trans | -63.2 | 139.4 | 171.4 | 28.9 | -34.6 | 0 | 0 | 0 | 110.2 | P679 E680 | P679-P687 HydrophobicContact CB-CB 3.81Å; P679-P687 HydrophobicContact CB-CG 3.76Å; E680-P687 HydrophobicContact CG-CB 3.47Å; E680-P687 VanDerWaalsContact CG-CB 3.47Å; E680-P687 WeakPolarHBondContact OE1-CA 3.29Å | ||
| 688 | K | 75.4 | Confident | 81.5 | Confident | 158 Ų | 158 | 55.5 Ų | 55.5 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | trans | -100.7 | -26.8 | 180 | -63.1 | 176.9 | -176.9 | 173.1 | 0 | 113.3 | E680 | E680-K688 PolarHBondContact OE1-N 3.41Š| ||
| 689 | F | 83.9 | Confident | 81.2 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -131.9 | 156.8 | -172.8 | -50.3 | -64 | 0 | 0 | 0 | 111.4 | E680 | E680-F689 PolarHBondContact N-O 3.34Š|
| 690 | S | 88.9 | Confident | 80.8 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 146.4 | 163.1 | -81.2 | 0 | 0 | 0 | 0 | 110.5 | D718 L723 | S690-D718 VanDerWaalsContact CB-OD2 3.28Å; S690-D718 WeakPolarHBondContact CB-OD2 3.38Å; S690-D718 PolarHBondContact N-O 3.34Å; S690-D718 PolarHBondContact OG-OD2 2.93Å; S690-L723 VanDerWaalsContact O-CD1 3.24Å; S690-L723 WeakPolarHBondContact O-CD1 3.27Å |
| 691 | C | 91.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.2 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | I677 G678 T707 L708 L748 | I677-C691 WeakPolarHBondContact CA-O 3.49Å; G678-C691 PolarHBondContact N-O 2.91Å; G678-C691 PolarHBondContact O-N 3.19Å; C691-T707 HydrophobicContact CB-CG2 4.04Å; C691-L708 CarbonylContact C-O 3.57Å; C691-L708 WeakPolarHBondContact CA-O 2.82Å; C691-L748 HydrophobicContact CB-CD1 3.67Å |
| 692 | M | 94.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.9 | 171.6 | 180 | -177.2 | 66.6 | 0 | 0 | 108.6 | L623 L642 I675 E676 I677 L694 L708 L723 I726 A727 | L623-M692 HydrophobicContact CD1-CE 4.47Å; L642-M692 HydrophobicContact CD2-CE 4.2Å; I675-M692 HydrophobicContact CG2-CG 3.58Å; I675-M692 HydrophobicContact CG2-SD 4.07Å; E676-M692 CarbonylContact O-C 3.58Å; I677-M692 HydrophobicContact CG1-CB 4.23Å; I677-M692 HydrophobicContact CG1-CG 4.11Å; M692-L694 HydrophobicContact CE-CD1 4.12Å; M692-L694 HydrophobicContact CE-CD2 3.9Å; M692-L694 HydrophobicContact CE-CG 4.02Å; M692-L694 HydrophobicContact CG-CD2 4.16Å; M692-L694 HydrophobicContact SD-CD2 3.93Å; M692-L708 PolarHBondContact N-O 2.76Å; M692-L708 PolarHBondContact O-N 3.31Å; M692-L723 HydrophobicContact CB-CB 4.16Å; M692-L723 HydrophobicContact CB-CD1 4.3Å; M692-L723 HydrophobicContact CB-CD2 3.95Å; M692-L723 HydrophobicContact CB-CG 4.37Å; M692-I726 HydrophobicContact CE-CG2 3.8Å; M692-I726 HydrophobicContact SD-CB 4.41Å; M692-I726 HydrophobicContact SD-CG2 4.08Å; M692-A727 HydrophobicContact SD-CB 4.09Å |
| 693 | R | 92.9 | Very high | 82.1 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 109.5 | 178.2 | -175.6 | 172.6 | -78.5 | 175.5 | -12.1 | 110.7 | I675 E676 H695 F705 H706 T707 L748 E749 | I675-R693 WeakPolarHBondContact CA-O 3.48Å; E676-R693 HydrophobicContact CB-CB 4.33Å; E676-R693 PolarHBondContact N-O 2.99Å; E676-R693 PolarHBondContact O-N 3.37Å; R693-H695 WeakPolarHBondContact CD-NE2 3.31Å; R693-F705 VanDerWaalsContact CD-CD2 3.46Å; R693-F705 HydrophobicContact CG-CB 3.7Å; R693-F705 HydrophobicContact CG-CD2 3.75Å; R693-F705 HydrophobicContact CG-CG 3.82Å; R693-F705 VanDerWaalsContact CZ-CE2 3.49Å; R693-H706 CarbonylContact C-O 3.58Å; R693-H706 VanDerWaalsContact CA-O 3.23Å; R693-H706 WeakPolarHBondContact CA-O 3.31Å; R693-T707 PolarHBondContact NE-OG1 3.02Å; R693-T707 PolarHBondContact NH2-OG1 3.08Å; R693-L748 HydrophobicContact CB-CD2 4.21Å; R693-E749 PolarHBondContact NH1-O 3Å |
| 694 | L | 93.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 103.8 | 177.4 | -58.9 | 179.4 | 0 | 0 | 0 | 108.7 | L642 Y649 L672 I675 M692 F705 H706 L708 L730 | L642-L694 HydrophobicContact CD1-CD1 4.25Å; Y649-L694 HydrophobicContact CD2-CD1 4.39Å; Y649-L694 HydrophobicContact CE2-CD1 4.01Å; L672-L694 HydrophobicContact CD1-CB 4.03Å; L672-L694 HydrophobicContact CD1-CD2 4.33Å; I675-L694 HydrophobicContact CB-CD2 4.44Å; I675-L694 HydrophobicContact CD1-CD2 3.89Å; I675-L694 HydrophobicContact CG1-CD2 3.78Å; I675-L694 HydrophobicContact CG2-CD2 4.03Å; M692-L694 HydrophobicContact CE-CD1 4.12Å; M692-L694 HydrophobicContact CE-CD2 3.9Å; M692-L694 HydrophobicContact CE-CG 4.02Å; M692-L694 HydrophobicContact CG-CD2 4.16Å; M692-L694 HydrophobicContact SD-CD2 3.93Å; L694-F705 CarbonylContact O-C 3.55Å; L694-F705 WeakPolarHBondContact O-CA 3.45Å; L694-F705 VanDerWaalsContact O-CB 3.32Å; L694-F705 WeakPolarHBondContact O-CB 3.49Å; L694-H706 PolarHBondContact N-O 3.42Å; L694-H706 PolarHBondContact O-N 2.89Å; L694-H706 VanDerWaalsContact O-N 3.07Å; L694-L708 HydrophobicContact CD1-CD1 4.4Å; L694-L730 HydrophobicContact CD1-CD1 4.39Å; L694-L730 HydrophobicContact CD2-CD1 3.75Å |
| 695 | H | 92.3 | Very high | 84.8 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132 | 175.7 | -67.1 | -111.8 | 0 | 0 | 0 | 110.2 | E673 K674 E676 R693 F705 | E673-H695 PolarHBondContact N-O 2.88Å; K674-H695 VanDerWaalsContact CE-CG 3.45Å; K674-H695 WeakPolarHBondContact CE-ND1 3.47Å; K674-H695 HydrophobicContact CG-CB 3.67Å; K674-H695 PolarHBondContact O-N 3.47Å; E676-H695 IonicContact OE1-NE2 2.86Å; E676-H695 IonicContact OE2-CD2 2.7Å; E676-H695 IonicContact OE2-CE1 3.7Å; E676-H695 IonicContact OE2-NE2 3.54Å; E676-H695 PolarHBondContact OE2-NE2 3.36Å; R693-H695 WeakPolarHBondContact CD-NE2 3.31Å; H695-F705 HydrophobicContact CB-CB 4.48Å; H695-F705 AromaticContact CE1-CD1 3.82Å; H695-F705 AromaticContact ND1-CD1 3.81Å |
| 696 | Y | 92.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.3 | -177.7 | 73.3 | -85.9 | 0 | 0 | 0 | 112.7 | Y649 Q665 L667 D671 Y704 H706 H756 I759 | Y649-Y696 WeakPolarHBondContact OH-CB 3.46Å; Q665-Y696 PolarHBondContact NE2-OH 3.41Å; L667-Y696 HydrophobicContact CD1-CD1 4.13Å; L667-Y696 HydrophobicContact CD1-CD2 3.95Å; L667-Y696 HydrophobicContact CD1-CE1 4.16Å; L667-Y696 HydrophobicContact CD1-CE2 3.98Å; L667-Y696 HydrophobicContact CD1-CG 4.02Å; L667-Y696 HydrophobicContact CD2-CD2 3.4Å; L667-Y696 VanDerWaalsContact CD2-CD2 3.4Å; L667-Y696 HydrophobicContact CD2-CE2 3.54Å; L667-Y696 HydrophobicContact CD2-CG 4.18Å; L667-Y696 HydrophobicContact CG-CD2 4.34Å; L667-Y696 HydrophobicContact CG-CE2 4.44Å; D671-Y696 CarbonylContact O-C 3.6Å; D671-Y696 VanDerWaalsContact O-CA 3.31Å; D671-Y696 WeakPolarHBondContact O-CA 3.49Å; Y696-Y704 HydrophobicContact CE2-CG 4.24Å; Y696-Y704 VanDerWaalsContact CZ-CB 3.41Å; Y696-Y704 PolarHBondContact N-O 2.97Å; Y696-H706 AromaticContact CD1-CD2 3.97Å; Y696-H706 AromaticContact CD1-NE2 3.97Å; Y696-H706 AromaticContact CE1-CD2 3.65Å; Y696-H706 AromaticContact CE1-NE2 3.28Å; Y696-H706 VanDerWaalsContact CE1-NE2 3.28Å; Y696-H706 WeakPolarHBondContact CE1-NE2 3.34Å; Y696-H706 AromaticContact CZ-NE2 3.86Å; Y696-H756 AromaticContact CE1-ND1 3.93Å; Y696-H756 AromaticContact CZ-ND1 3.84Å; Y696-H756 PolarHBondContact OH-ND1 3.39Å; Y696-I759 HydrophobicContact CE2-CD1 4.35Å |
| 697 | R | 88.9 | Confident | 86.9 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 142.3 | 174.1 | -166.8 | 173.1 | -61.5 | 162.9 | 5.9 | 110.3 | D671 E673 | D671-R697 HydrophobicContact CB-CB 4.34Å; D671-R697 PolarHBondContact O-N 3.19Å; E673-R697 HydrophobicContact CG-CB 4.21Å; E673-R697 IonicContact OE1-CZ 3.2Å; E673-R697 VanDerWaalsContact OE1-CZ 3.23Å; E673-R697 IonicContact OE1-NE 3.01Å; E673-R697 PolarHBondContact OE1-NE 3.42Å; E673-R697 IonicContact OE1-NH2 2.72Å; E673-R697 PolarHBondContact OE1-NH2 2.89Å |
| 698 | Y | 84 | Confident | 87.7 | Confident | 35 Ų | 35 | 41.6 Ų | 41.6 | 14% | 0.137 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.6 | 173.5 | -178.3 | -116.4 | 0 | 0 | 0 | 110.6 | E700 A701 Y704 E757 I759 | Y698-E700 PolarHBondContact O-N 2.91Å; Y698-A701 PolarHBondContact N-O 2.73Å; Y698-A701 PolarHBondContact O-N 2.94Å; Y698-Y704 HydrophobicContact CD1-CE1 4.27Å; Y698-Y704 HydrophobicContact CD1-CE2 4.39Å; Y698-Y704 AromaticContact CD1-CZ 4Å; Y698-E757 HydrophobicContact CE1-CB 4.06Å; Y698-E757 HydrophobicContact CE1-CG 4.27Å; Y698-E757 PolarHBondContact OH-OE2 3.35Å; Y698-I759 HydrophobicContact CD2-CD1 3.6Å; Y698-I759 HydrophobicContact CD2-CG1 4.08Å; Y698-I759 HydrophobicContact CE2-CB 4.42Å; Y698-I759 HydrophobicContact CE2-CD1 3.66Å; Y698-I759 HydrophobicContact CE2-CG1 3.58Å; Y698-I759 HydrophobicContact CE2-CG2 4.21Å; Y698-I759 HydrophobicContact CG-CD1 4.41Å |
| 699 | K | 82.1 | Confident | 88.4 | Confident | 135 Ų | 135 | 35.2 Ų | 35.2 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 48.7 | -172.7 | -64.5 | 167.4 | 174.7 | 163 | 0 | 111.4 | A701 E757 | K699-A701 PolarHBondContact O-N 3.43Å; K699-E757 IonicContact NZ-OE1 3.91Å; K699-E757 PolarHBondContact NZ-OE1 3.48Å; K699-E757 IonicContact NZ-OE2 2.67Å; K699-E757 PolarHBondContact NZ-OE2 2.72Å |
| 700 | E | 79.1 | Confident | 88.5 | Confident | 186 Ų | 186 | 33.1 Ų | 33.1 | 87% | 0.869 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -8.9 | -173.9 | -56.8 | -173.6 | 156.9 | 0 | 0 | 116.6 | Y698 | Y698-E700 PolarHBondContact O-N 2.91Š|
| 701 | A | 83.2 | Confident | 88.1 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y698 K699 Y704 | Y698-A701 PolarHBondContact N-O 2.73Å; Y698-A701 PolarHBondContact O-N 2.94Å; K699-A701 PolarHBondContact O-N 3.43Å; A701-Y704 HydrophobicContact CB-CE2 4.23Å; A701-Y704 WeakPolarHBondContact O-CE2 3.49Å |
| 702 | S | 84.4 | Confident | 87.4 | Confident | 64 Ų | 64 | 38 Ų | 38 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 173.7 | 171.8 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | E673 K754 | E673-S702 WeakPolarHBondContact OE2-CB 3.45Å; S702-K754 PolarHBondContact O-NZ 2.84Å |
| 703 | G | 82.8 | Confident | 86.1 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 32% | 0.32 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.9 | 21.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K754 | G703-K754 WeakPolarHBondContact O-CG 3.28Å; G703-K754 PolarHBondContact O-N 2.92Å |
| 704 | Y | 88.8 | Confident | 85 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 11% | 0.114 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.9 | 161 | -57.3 | -97.5 | 0 | 0 | 0 | 108.6 | Y696 Y698 A701 K754 | Y696-Y704 HydrophobicContact CE2-CG 4.24Å; Y696-Y704 VanDerWaalsContact CZ-CB 3.41Å; Y696-Y704 PolarHBondContact N-O 2.97Å; Y698-Y704 HydrophobicContact CD1-CE1 4.27Å; Y698-Y704 HydrophobicContact CD1-CE2 4.39Å; Y698-Y704 AromaticContact CD1-CZ 4Å; A701-Y704 HydrophobicContact CB-CE2 4.23Å; A701-Y704 WeakPolarHBondContact O-CE2 3.49Å; Y704-K754 HydrophobicContact CD1-CB 3.47Å; Y704-K754 VanDerWaalsContact CD1-CB 3.47Å; Y704-K754 HydrophobicContact CD1-CD 4.35Å; Y704-K754 HydrophobicContact CD2-CD 4.1Å; Y704-K754 HydrophobicContact CE1-CB 3.44Å; Y704-K754 VanDerWaalsContact CE1-CB 3.44Å; Y704-K754 HydrophobicContact CE1-CD 4.02Å; Y704-K754 HydrophobicContact CE1-CG 4.4Å; Y704-K754 HydrophobicContact CE2-CD 3.73Å; Y704-K754 HydrophobicContact CG-CB 4.07Å; Y704-K754 HydrophobicContact CG-CD 4.37Å |
| 705 | F | 90.8 | Very high | 83.8 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 145.1 | 174.4 | 51.5 | -101.4 | 0 | 0 | 0 | 113.5 | R693 L694 H695 K751 S752 S753 H756 | R693-F705 VanDerWaalsContact CD-CD2 3.46Å; R693-F705 HydrophobicContact CG-CB 3.7Å; R693-F705 HydrophobicContact CG-CD2 3.75Å; R693-F705 HydrophobicContact CG-CG 3.82Å; R693-F705 VanDerWaalsContact CZ-CE2 3.49Å; L694-F705 CarbonylContact O-C 3.55Å; L694-F705 WeakPolarHBondContact O-CA 3.45Å; L694-F705 VanDerWaalsContact O-CB 3.32Å; L694-F705 WeakPolarHBondContact O-CB 3.49Å; H695-F705 HydrophobicContact CB-CB 4.48Å; H695-F705 AromaticContact CE1-CD1 3.82Å; H695-F705 AromaticContact ND1-CD1 3.81Å; F705-K751 HydrophobicContact CZ-CB 4.4Å; F705-K751 WeakPolarHBondContact CZ-O 3.15Å; F705-S752 WeakPolarHBondContact CZ-O 3.24Å; F705-S753 VanDerWaalsContact CZ-N 3.34Å; F705-S753 PolarHBondContact N-OG 2.85Å; F705-S753 VanDerWaalsContact O-CB 3.27Å; F705-S753 WeakPolarHBondContact O-CB 3.28Å; F705-S753 PolarHBondContact O-OG 3.07Å; F705-H756 PolarHBondContact O-CE1 3.33Å; F705-H756 VanDerWaalsContact O-CE1 3.28Å |
| 706 | H | 90.4 | Very high | 82.8 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134 | 166.6 | -57.1 | -77.3 | 0 | 0 | 0 | 109.1 | Y653 Q665 R693 L694 Y696 L708 H756 | Y653-H706 AromaticContact CE2-ND1 3.89Å; Y653-H706 AromaticContact CZ-ND1 3.86Å; Y653-H706 PolarHBondContact OH-ND1 3.23Å; Q665-H706 PolarHBondContact OE1-CE1 2.86Å; Q665-H706 PolarHBondContact OE1-NE2 2.9Å; Q665-H706 VanDerWaalsContact OE1-NE2 3.17Å; R693-H706 CarbonylContact C-O 3.58Å; R693-H706 VanDerWaalsContact CA-O 3.23Å; R693-H706 WeakPolarHBondContact CA-O 3.31Å; L694-H706 PolarHBondContact N-O 3.42Å; L694-H706 PolarHBondContact O-N 2.89Å; L694-H706 VanDerWaalsContact O-N 3.07Å; Y696-H706 AromaticContact CD1-CD2 3.97Å; Y696-H706 AromaticContact CD1-NE2 3.97Å; Y696-H706 AromaticContact CE1-CD2 3.65Å; Y696-H706 AromaticContact CE1-NE2 3.28Å; Y696-H706 VanDerWaalsContact CE1-NE2 3.28Å; Y696-H706 WeakPolarHBondContact CE1-NE2 3.34Å; Y696-H706 AromaticContact CZ-NE2 3.86Å; H706-L708 HydrophobicContact CB-CD1 4.35Å; H706-L708 HydrophobicContact CB-CD2 4.32Å; H706-L708 HydrophobicContact CB-CG 4.15Å; H706-H756 AromaticContact CE1-CE1 3.46Å; H706-H756 PolarHBondContact CE1-CE1 3.03Å; H706-H756 VanDerWaalsContact CE1-CE1 3.46Å; H706-H756 AromaticContact CE1-ND1 3.4Å; H706-H756 PolarHBondContact CE1-ND1 3.43Å; H706-H756 AromaticContact ND1-CE1 3.57Å; H706-H756 AromaticContact ND1-ND1 3.96Å; H706-H756 AromaticContact ND1-NE2 3.95Å; H706-H756 AromaticContact NE2-ND1 3.98Å |
| 707 | T | 90.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 107.4 | 175.1 | -49.5 | 0 | 0 | 0 | 0 | 108.4 | D625 C626 C691 R693 L748 | D625-T707 VanDerWaalsContact OD1-O 3.08Å; C626-T707 WeakPolarHBondContact CA-O 3.4Å; C626-T707 HydrophobicContact CB-CG2 3.94Å; C626-T707 WeakPolarHBondContact CB-O 3.47Å; C626-T707 PolarHBondContact N-O 3.23Å; C691-T707 HydrophobicContact CB-CG2 4.04Å; R693-T707 PolarHBondContact NE-OG1 3.02Å; R693-T707 PolarHBondContact NH2-OG1 3.08Å; T707-L748 HydrophobicContact CG2-CD1 4.43Å |
| 708 | L | 91.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.5 | -169.2 | -54.3 | 176.6 | 0 | 0 | 0 | 111.5 | L623 I624 V640 C691 M692 L694 H706 | L623-L708 HydrophobicContact CB-CB 4.4Å; L623-L708 HydrophobicContact CD1-CB 4.08Å; L623-L708 HydrophobicContact CD1-CD1 3.81Å; I624-L708 CarbonylContact O-C 3.52Å; I624-L708 WeakPolarHBondContact O-CA 3.34Å; V640-L708 HydrophobicContact CB-CD2 4.28Å; V640-L708 HydrophobicContact CG1-CD2 4Å; V640-L708 HydrophobicContact CG2-CD2 4.22Å; C691-L708 CarbonylContact C-O 3.57Å; C691-L708 WeakPolarHBondContact CA-O 2.82Å; M692-L708 PolarHBondContact N-O 2.76Å; M692-L708 PolarHBondContact O-N 3.31Å; L694-L708 HydrophobicContact CD1-CD1 4.4Å; H706-L708 HydrophobicContact CB-CD1 4.35Å; H706-L708 HydrophobicContact CB-CD2 4.32Å; H706-L708 HydrophobicContact CB-CG 4.15Å |
| 709 | R | 89.7 | Confident | 81.8 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 161.3 | 170.7 | 73.4 | 174.8 | 171.2 | 82.2 | -6.8 | 113.3 | L623 I624 C626 D637 | L623-R709 CarbonylContact C-O 3.59Å; L623-R709 WeakPolarHBondContact CA-O 3.42Å; L623-R709 WeakPolarHBondContact CB-O 3.4Å; I624-R709 HydrophobicContact CB-CG 4.05Å; I624-R709 HydrophobicContact CG2-CG 4.36Å; I624-R709 PolarHBondContact N-O 3.27Å; I624-R709 PolarHBondContact O-N 2.88Å; C626-R709 WeakPolarHBondContact SG-CD 3.31Å; C626-R709 WeakPolarHBondContact SG-CG 3.3Å; D637-R709 IonicContact OD1-CZ 3.8Å; D637-R709 IonicContact OD1-NH2 3.81Å; D637-R709 PolarHBondContact OD1-NH2 3.23Å; D637-R709 IonicContact OD2-CZ 2.98Å; D637-R709 IonicContact OD2-NH2 3.28Å; D637-R709 PolarHBondContact OD2-NH2 3.36Å |
| 710 | A | 86.6 | Confident | 82.1 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 154.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M712 T722 L723 | A710-M712 HydrophobicContact CB-CG 4.47Å; A710-M712 HydrophobicContact CB-SD 3.73Å; A710-M712 PolarHBondContact O-N 2.95Å; A710-T722 HydrophobicContact CB-CG2 3.97Å; A710-L723 HydrophobicContact CB-CD2 4.39Å; A710-L723 HydrophobicContact CB-CG 4.35Å |
| 711 | V | 80.8 | Confident | 82.4 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | trans | -92.6 | 81.2 | 178.8 | -167.7 | 0 | 0 | 0 | 0 | 110.5 | I624 | I624-V711 HydrophobicContact CD1-CB 4.34Å; I624-V711 HydrophobicContact CD1-CG1 4Å; I624-V711 HydrophobicContact CD1-CG2 3.8Å; I624-V711 HydrophobicContact CG1-CG2 3.96Å | ||
| 712 | M | 76.2 | Confident | 82.4 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | trans | -75.9 | 142.4 | -174.5 | -55.1 | -48.8 | -78 | 0 | 0 | 113 | A710 E717 G719 | A710-M712 HydrophobicContact CB-CG 4.47Å; A710-M712 HydrophobicContact CB-SD 3.73Å; A710-M712 PolarHBondContact O-N 2.95Å; M712-E717 HydrophobicContact CE-CB 3.47Å; M712-E717 VanDerWaalsContact CE-CB 3.47Å; M712-E717 HydrophobicContact CE-CG 4.21Å; M712-G719 VanDerWaalsContact SD-CA 3.59Å | ||
| 713 | R | 67.9 | Low | 82.7 | Confident | 243 Ų | 243 | 57.7 Ų | 57.7 | 92% | 0.917 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -97.4 | -23 | 173.5 | -70.4 | -169.8 | -177.6 | -171.4 | 2.9 | 114.1 | ||
| 714 | N | 69.8 | Low | 83 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -102.8 | 122.2 | 174.1 | -178.1 | 16.3 | 0 | 0 | 0 | 107.9 | E716 E717 | N714-E716 PolarHBondContact O-N 2.93Å; N714-E716 PolarHBondContact OD1-N 3.06Å; N714-E717 HydrophobicContact CB-CG 3.75Å; N714-E717 PolarHBondContact O-N 3.45Å |
| 715 | P | 68.4 | Low | 82.9 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 75% | 0.753 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.7 | 178.9 | 30.7 | -37.3 | 0 | 0 | 0 | 114.2 | ||
| 716 | E | 71.6 | Confident | 82.8 | Confident | 170 Ų | 170 | 59.8 Ų | 59.8 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.4 | 174.5 | -57.9 | -179.1 | 152.8 | 0 | 0 | 113.1 | N714 | N714-E716 PolarHBondContact O-N 2.93Å; N714-E716 PolarHBondContact OD1-N 3.06Å |
| 717 | E | 80.4 | Confident | 82.9 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | trans | -97.2 | 128.2 | 179.1 | -55.3 | -72.5 | 165.9 | 0 | 0 | 110.6 | M712 N714 G719 | M712-E717 HydrophobicContact CE-CB 3.47Å; M712-E717 VanDerWaalsContact CE-CB 3.47Å; M712-E717 HydrophobicContact CE-CG 4.21Å; N714-E717 HydrophobicContact CB-CG 3.75Å; N714-E717 PolarHBondContact O-N 3.45Å; E717-G719 VanDerWaalsContact C-N 3.32Å; E717-G719 PolarHBondContact O-N 2.92Å | ||
| 718 | D | 79.9 | Confident | 82.8 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 34% | 0.342 | 32% | 0.321 | S | S | . | . | trans | -79.5 | -15 | -178.9 | 87.6 | -30.1 | 0 | 0 | 0 | 113.8 | S690 K720 | S690-D718 VanDerWaalsContact CB-OD2 3.28Å; S690-D718 WeakPolarHBondContact CB-OD2 3.38Å; S690-D718 PolarHBondContact N-O 3.34Å; S690-D718 PolarHBondContact OG-OD2 2.93Å; D718-K720 VanDerWaalsContact OD1-CB 3.28Å; D718-K720 WeakPolarHBondContact OD1-CB 3.34Å; D718-K720 PolarHBondContact OD1-N 3.13Å | ||
| 719 | G | 83.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | trans | 84.8 | 4.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | M712 E717 D721 T722 L723 | M712-G719 VanDerWaalsContact SD-CA 3.59Å; E717-G719 VanDerWaalsContact C-N 3.32Å; E717-G719 PolarHBondContact O-N 2.92Å; G719-D721 PolarHBondContact O-N 3.49Å; G719-T722 PolarHBondContact O-N 3.48Å; G719-L723 PolarHBondContact O-N 2.88Å | ||
| 720 | K | 87.1 | Confident | 82.7 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55 | -50.4 | -174.6 | -172.7 | -167.9 | 168.2 | -168.7 | 0 | 112.9 | I677 D718 T722 L723 Q724 E745 | I677-K720 HydrophobicContact CG2-CG 4.19Å; D718-K720 VanDerWaalsContact OD1-CB 3.28Å; D718-K720 WeakPolarHBondContact OD1-CB 3.34Å; D718-K720 PolarHBondContact OD1-N 3.13Å; K720-T722 VanDerWaalsContact C-N 3.27Å; K720-T722 PolarHBondContact O-N 2.9Å; K720-L723 CarbonylContact O-C 3.55Å; K720-L723 WeakPolarHBondContact O-CA 3.49Å; K720-L723 WeakPolarHBondContact O-CB 3.42Å; K720-L723 PolarHBondContact O-N 3.35Å; K720-Q724 PolarHBondContact O-N 3.33Å; K720-E745 VanDerWaalsContact CE-OE1 3.3Å; K720-E745 WeakPolarHBondContact CE-OE1 3.3Å; K720-E745 WeakPolarHBondContact CE-OE2 3.18Å; K720-E745 IonicContact NZ-OE1 3.52Å; K720-E745 PolarHBondContact NZ-OE1 3.25Å; K720-E745 IonicContact NZ-OE2 3.23Å; K720-E745 PolarHBondContact NZ-OE2 3.39Å |
| 721 | D | 85.1 | Confident | 82.9 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -35.4 | -173 | -62.4 | -7.3 | 0 | 0 | 0 | 112.6 | G719 Q724 C725 | G719-D721 PolarHBondContact O-N 3.49Å; D721-Q724 PolarHBondContact O-N 3.49Å; D721-C725 PolarHBondContact O-N 3.1Å; D721-C725 VanDerWaalsContact O-N 3.1Å; D721-C725 PolarHBondContact O-SG 3.31Å |
| 722 | T | 84.7 | Confident | 83.4 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | A710 G719 K720 I726 | A710-T722 HydrophobicContact CB-CG2 3.97Å; G719-T722 PolarHBondContact O-N 3.48Å; K720-T722 VanDerWaalsContact C-N 3.27Å; K720-T722 PolarHBondContact O-N 2.9Å; T722-I726 HydrophobicContact CG2-CD1 4.35Å; T722-I726 WeakPolarHBondContact O-CD1 3.46Å; T722-I726 VanDerWaalsContact O-CG1 3.27Å; T722-I726 WeakPolarHBondContact O-CG1 3.25Å; T722-I726 PolarHBondContact O-N 3.44Å |
| 723 | L | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.1 | -36.2 | 177.1 | -65.3 | 173.4 | 0 | 0 | 0 | 112.2 | L623 S690 M692 A710 G719 K720 I726 A727 | L623-L723 HydrophobicContact CD2-CD2 4.22Å; S690-L723 VanDerWaalsContact O-CD1 3.24Å; S690-L723 WeakPolarHBondContact O-CD1 3.27Å; M692-L723 HydrophobicContact CB-CB 4.16Å; M692-L723 HydrophobicContact CB-CD1 4.3Å; M692-L723 HydrophobicContact CB-CD2 3.95Å; M692-L723 HydrophobicContact CB-CG 4.37Å; A710-L723 HydrophobicContact CB-CD2 4.39Å; A710-L723 HydrophobicContact CB-CG 4.35Å; G719-L723 PolarHBondContact O-N 2.88Å; K720-L723 CarbonylContact O-C 3.55Å; K720-L723 WeakPolarHBondContact O-CA 3.49Å; K720-L723 WeakPolarHBondContact O-CB 3.42Å; K720-L723 PolarHBondContact O-N 3.35Å; L723-I726 PolarHBondContact O-N 2.78Å; L723-A727 PolarHBondContact O-N 2.86Å |
| 724 | Q | 89.2 | Confident | 85.1 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 174.4 | -175.6 | 62.1 | 26.4 | 0 | 0 | 111.1 | K720 D721 I726 A727 E728 | K720-Q724 PolarHBondContact O-N 3.33Å; D721-Q724 PolarHBondContact O-N 3.49Å; Q724-I726 VanDerWaalsContact C-N 3.26Å; Q724-I726 PolarHBondContact O-N 3.42Å; Q724-A727 PolarHBondContact O-N 3.47Å; Q724-A727 VanDerWaalsContact O-N 3.17Å; Q724-E728 WeakPolarHBondContact CG-OE1 3.45Å; Q724-E728 PolarHBondContact NE2-OE1 3.24Å; Q724-E728 WeakPolarHBondContact O-CG 3.13Å; Q724-E728 PolarHBondContact O-N 2.88Å |
| 725 | C | 86.6 | Confident | 86.1 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -34.3 | 176.4 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | D721 M729 | D721-C725 PolarHBondContact O-N 3.1Å; D721-C725 VanDerWaalsContact O-N 3.1Å; D721-C725 PolarHBondContact O-SG 3.31Å; C725-M729 PolarHBondContact O-N 3.34Å; C725-M729 VanDerWaalsContact O-N 3.14Å |
| 726 | I | 89.8 | Confident | 87 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -44.9 | 176.9 | -66.6 | 166.5 | 0 | 0 | 0 | 110.5 | W621 L623 L642 M692 T722 L723 Q724 M729 L730 | W621-I726 HydrophobicContact CB-CD1 4.08Å; W621-I726 HydrophobicContact CD2-CD1 4.16Å; W621-I726 HydrophobicContact CD2-CG1 3.85Å; W621-I726 HydrophobicContact CD2-CG2 4.35Å; W621-I726 HydrophobicContact CE3-CG2 4.24Å; W621-I726 HydrophobicContact CG-CD1 3.74Å; W621-I726 HydrophobicContact CG-CG1 3.89Å; W621-I726 HydrophobicContact CZ2-CG1 4.26Å; W621-I726 HydrophobicContact CZ3-CG2 4.34Å; L623-I726 HydrophobicContact CD1-CD1 4.43Å; L623-I726 HydrophobicContact CD2-CD1 3.9Å; L642-I726 HydrophobicContact CD2-CG2 3.66Å; M692-I726 HydrophobicContact CE-CG2 3.8Å; M692-I726 HydrophobicContact SD-CB 4.41Å; M692-I726 HydrophobicContact SD-CG2 4.08Å; T722-I726 HydrophobicContact CG2-CD1 4.35Å; T722-I726 WeakPolarHBondContact O-CD1 3.46Å; T722-I726 VanDerWaalsContact O-CG1 3.27Å; T722-I726 WeakPolarHBondContact O-CG1 3.25Å; T722-I726 PolarHBondContact O-N 3.44Å; L723-I726 PolarHBondContact O-N 2.78Å; Q724-I726 VanDerWaalsContact C-N 3.26Å; Q724-I726 PolarHBondContact O-N 3.42Å; I726-M729 PolarHBondContact O-N 3.04Å; I726-L730 HydrophobicContact CG2-CD1 4.12Å; I726-L730 WeakPolarHBondContact O-CG 3.14Å; I726-L730 PolarHBondContact O-N 2.83Å |
| 727 | A | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I675 I677 M692 L723 Q724 L730 Q731 I743 | I675-A727 HydrophobicContact CD1-CB 3.87Å; I675-A727 HydrophobicContact CG2-CB 3.84Å; I677-A727 HydrophobicContact CD1-CB 3.84Å; M692-A727 HydrophobicContact SD-CB 4.09Å; L723-A727 PolarHBondContact O-N 2.86Å; Q724-A727 PolarHBondContact O-N 3.47Å; Q724-A727 VanDerWaalsContact O-N 3.17Å; A727-L730 WeakPolarHBondContact O-CB 3.34Å; A727-L730 PolarHBondContact O-N 3.09Å; A727-Q731 WeakPolarHBondContact O-CB 3.24Å; A727-Q731 PolarHBondContact O-N 3.26Å; A727-I743 HydrophobicContact CB-CD1 3.81Å; A727-I743 HydrophobicContact CB-CG1 4.17Å; A727-I743 HydrophobicContact CB-CG2 4.23Å |
| 728 | E | 90.5 | Very high | 87.8 | Confident | 82 Ų | 82 | 51 Ų | 51 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.3 | -72.7 | 170.5 | -175.7 | 0 | 0 | 112 | Q724 Q731 I732 I743 | Q724-E728 WeakPolarHBondContact CG-OE1 3.45Å; Q724-E728 PolarHBondContact NE2-OE1 3.24Å; Q724-E728 WeakPolarHBondContact O-CG 3.13Å; Q724-E728 PolarHBondContact O-N 2.88Å; E728-Q731 PolarHBondContact O-N 3.48Å; E728-I732 WeakPolarHBondContact O-CB 3.37Å; E728-I732 WeakPolarHBondContact O-CD1 3.17Å; E728-I732 VanDerWaalsContact O-CG1 3.25Å; E728-I732 WeakPolarHBondContact O-CG1 3.14Å; E728-I732 PolarHBondContact O-N 3.14Å; E728-I743 HydrophobicContact CG-CD1 3.94Å |
| 729 | M | 88.2 | Confident | 87.9 | Confident | 76 Ų | 76 | 50.8 Ų | 50.8 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 176.3 | -164.8 | 176.2 | -63.3 | 0 | 0 | 112.6 | W621 L644 C725 I726 T733 | W621-M729 HydrophobicContact CH2-CB 4.35Å; W621-M729 HydrophobicContact CH2-CG 4.33Å; W621-M729 HydrophobicContact CH2-SD 3.67Å; W621-M729 HydrophobicContact CZ2-CB 4.4Å; W621-M729 HydrophobicContact CZ2-CE 4.13Å; W621-M729 HydrophobicContact CZ2-CG 4.5Å; W621-M729 HydrophobicContact CZ2-SD 3.54Å; W621-M729 VanDerWaalsContact CZ2-SD 3.54Å; L644-M729 HydrophobicContact CD2-CB 4.48Å; L644-M729 HydrophobicContact CD2-CG 3.97Å; C725-M729 PolarHBondContact O-N 3.34Å; C725-M729 VanDerWaalsContact O-N 3.14Å; I726-M729 PolarHBondContact O-N 3.04Å; M729-T733 WeakPolarHBondContact O-CB 3.19Å; M729-T733 PolarHBondContact O-N 3.5Å; M729-T733 VanDerWaalsContact O-N 3.09Å; M729-T733 PolarHBondContact O-OG1 3.24Å |
| 730 | L | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 170.1 | -76.1 | 163.1 | 0 | 0 | 0 | 111.2 | L644 Y649 L669 L672 I675 L694 I726 A727 T733 K734 | L644-L730 HydrophobicContact CD1-CD2 3.7Å; L644-L730 HydrophobicContact CD2-CD2 4.09Å; L644-L730 HydrophobicContact CD2-CG 4.35Å; L644-L730 HydrophobicContact CG-CD2 4.41Å; Y649-L730 HydrophobicContact CG-CD2 4.48Å; L669-L730 HydrophobicContact CD2-CD2 3.97Å; L672-L730 HydrophobicContact CD2-CB 4.46Å; L672-L730 HydrophobicContact CD2-CD2 4.47Å; I675-L730 HydrophobicContact CD1-CB 3.9Å; I675-L730 HydrophobicContact CD1-CD1 3.93Å; L694-L730 HydrophobicContact CD1-CD1 4.39Å; L694-L730 HydrophobicContact CD2-CD1 3.75Å; I726-L730 HydrophobicContact CG2-CD1 4.12Å; I726-L730 WeakPolarHBondContact O-CG 3.14Å; I726-L730 PolarHBondContact O-N 2.83Å; A727-L730 WeakPolarHBondContact O-CB 3.34Å; A727-L730 PolarHBondContact O-N 3.09Å; L730-T733 PolarHBondContact O-N 2.98Å; L730-K734 PolarHBondContact O-N 3.22Å |
| 731 | Q | 91.4 | Very high | 88.3 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 19% | 0.192 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -51.8 | 179.2 | -171.9 | -179 | 16.8 | 0 | 0 | 112 | A727 E728 T733 K734 Q735 D740 V741 I743 | A727-Q731 WeakPolarHBondContact O-CB 3.24Å; A727-Q731 PolarHBondContact O-N 3.26Å; E728-Q731 PolarHBondContact O-N 3.48Å; Q731-T733 PolarHBondContact O-N 3.45Å; Q731-K734 PolarHBondContact O-N 3.35Å; Q731-Q735 HydrophobicContact CG-CG 4.36Å; Q731-Q735 WeakPolarHBondContact O-CB 3.39Å; Q731-Q735 VanDerWaalsContact O-CG 3.31Å; Q731-Q735 WeakPolarHBondContact O-CG 3.3Å; Q731-Q735 PolarHBondContact O-N 3.16Å; Q731-D740 WeakPolarHBondContact CG-OD1 3.42Å; Q731-D740 PolarHBondContact NE2-OD1 3.02Å; Q731-V741 HydrophobicContact CB-CG1 3.97Å; Q731-V741 HydrophobicContact CG-CG1 4.01Å; Q731-V741 WeakPolarHBondContact CG-O 3.28Å; Q731-V741 PolarHBondContact NE2-O 3.3Å; Q731-I743 HydrophobicContact CB-CD1 4.18Å; Q731-I743 VanDerWaalsContact OE1-CD1 3.28Å |
| 732 | I | 90.8 | Very high | 88.7 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59 | -37.8 | 178.9 | -67.7 | 163.5 | 0 | 0 | 0 | 110.9 | E728 Q735 A736 | E728-I732 WeakPolarHBondContact O-CB 3.37Å; E728-I732 WeakPolarHBondContact O-CD1 3.17Å; E728-I732 VanDerWaalsContact O-CG1 3.25Å; E728-I732 WeakPolarHBondContact O-CG1 3.14Å; E728-I732 PolarHBondContact O-N 3.14Å; I732-Q735 PolarHBondContact O-N 2.91Å; I732-A736 PolarHBondContact O-N 3.39Å |
| 733 | T | 89.2 | Confident | 89.1 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | H618 L644 S645 L669 M729 L730 Q731 Q735 A736 M737 | H618-T733 VanDerWaalsContact ND1-CG2 3.34Å; H618-T733 WeakPolarHBondContact ND1-CG2 3.46Å; H618-T733 PolarHBondContact ND1-OG1 3.32Å; L644-T733 HydrophobicContact CD1-CG2 4.32Å; S645-T733 WeakPolarHBondContact O-CG2 3.45Å; L669-T733 HydrophobicContact CD1-CG2 3.61Å; M729-T733 WeakPolarHBondContact O-CB 3.19Å; M729-T733 PolarHBondContact O-N 3.5Å; M729-T733 VanDerWaalsContact O-N 3.09Å; M729-T733 PolarHBondContact O-OG1 3.24Å; L730-T733 PolarHBondContact O-N 2.98Å; Q731-T733 PolarHBondContact O-N 3.45Å; T733-Q735 VanDerWaalsContact C-N 3.35Å; T733-A736 WeakPolarHBondContact O-CB 3.3Å; T733-A736 PolarHBondContact O-N 3.19Å; T733-M737 PolarHBondContact O-N 3.24Å |
| 734 | K | 90.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 173.9 | -162.6 | -168.4 | 172.3 | 124.3 | 0 | 111.4 | L669 E670 L672 L730 Q731 A736 M737 G738 S739 D740 V741 | L669-K734 HydrophobicContact CB-CG 4.33Å; L669-K734 VanDerWaalsContact O-CD 3.31Å; L669-K734 WeakPolarHBondContact O-CD 3.34Å; L669-K734 VanDerWaalsContact O-CE 3.25Å; L669-K734 WeakPolarHBondContact O-CE 3.43Å; L669-K734 PolarHBondContact O-NZ 2.84Å; E670-K734 PolarHBondContact O-NZ 3.3Å; L672-K734 PolarHBondContact O-NZ 3.21Å; L730-K734 PolarHBondContact O-N 3.22Å; Q731-K734 PolarHBondContact O-N 3.35Å; K734-A736 VanDerWaalsContact C-N 3.27Å; K734-A736 PolarHBondContact O-N 3.23Å; K734-M737 WeakPolarHBondContact O-CA 3.28Å; K734-M737 VanDerWaalsContact O-CB 3.31Å; K734-M737 WeakPolarHBondContact O-CB 3.28Å; K734-M737 PolarHBondContact O-N 3.28Å; K734-G738 PolarHBondContact O-N 3.18Å; K734-S739 CarbonylContact C-O 3.5Å; K734-S739 VanDerWaalsContact CG-O 3.28Å; K734-S739 WeakPolarHBondContact CG-O 3.48Å; K734-S739 PolarHBondContact O-N 2.89Å; K734-D740 VanDerWaalsContact CE-O 3.31Å; K734-D740 WeakPolarHBondContact CE-O 3.48Å; K734-V741 HydrophobicContact CB-CG1 4.18Å; K734-V741 HydrophobicContact CD-CB 3.68Å; K734-V741 HydrophobicContact CD-CG1 3.8Å |
| 735 | Q | 90.5 | Very high | 89.3 | Confident | 90 Ų | 90 | 55.5 Ų | 55.5 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -36.2 | 175.5 | -75.2 | 177.4 | 0.7 | 0 | 0 | 112 | Q731 I732 T733 M737 G738 S739 D740 | Q731-Q735 HydrophobicContact CG-CG 4.36Å; Q731-Q735 WeakPolarHBondContact O-CB 3.39Å; Q731-Q735 VanDerWaalsContact O-CG 3.31Å; Q731-Q735 WeakPolarHBondContact O-CG 3.3Å; Q731-Q735 PolarHBondContact O-N 3.16Å; I732-Q735 PolarHBondContact O-N 2.91Å; T733-Q735 VanDerWaalsContact C-N 3.35Å; Q735-M737 PolarHBondContact O-N 2.9Å; Q735-G738 WeakPolarHBondContact O-CA 3.46Å; Q735-G738 PolarHBondContact O-N 3.19Å; Q735-S739 VanDerWaalsContact CA-O 3.28Å; Q735-S739 WeakPolarHBondContact CA-O 3.4Å; Q735-S739 PolarHBondContact N-O 3.17Å; Q735-D740 HydrophobicContact CG-CB 4.45Å; Q735-D740 PolarHBondContact NE2-OD1 3Å |
| 736 | A | 87.5 | Confident | 89.4 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.8 | -20 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I732 T733 K734 G738 | I732-A736 PolarHBondContact O-N 3.39Å; T733-A736 WeakPolarHBondContact O-CB 3.3Å; T733-A736 PolarHBondContact O-N 3.19Å; K734-A736 VanDerWaalsContact C-N 3.27Å; K734-A736 PolarHBondContact O-N 3.23Å; A736-G738 VanDerWaalsContact C-N 3.34Å |
| 737 | M | 85.8 | Confident | 89.1 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.8 | 168.5 | -55.4 | 169.8 | 67.8 | 0 | 0 | 113.1 | L669 E670 T733 K734 Q735 | L669-M737 HydrophobicContact CB-CE 4.37Å; L669-M737 HydrophobicContact CB-SD 3.62Å; L669-M737 HydrophobicContact CD1-SD 3.74Å; L669-M737 HydrophobicContact CG-SD 4.32Å; E670-M737 HydrophobicContact CG-CE 4.12Å; T733-M737 PolarHBondContact O-N 3.24Å; K734-M737 WeakPolarHBondContact O-CA 3.28Å; K734-M737 VanDerWaalsContact O-CB 3.31Å; K734-M737 WeakPolarHBondContact O-CB 3.28Å; K734-M737 PolarHBondContact O-N 3.28Å; Q735-M737 PolarHBondContact O-N 2.9Å |
| 738 | G | 82.6 | Confident | 88.8 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 16.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K734 Q735 A736 | K734-G738 PolarHBondContact O-N 3.18Å; Q735-G738 WeakPolarHBondContact O-CA 3.46Å; Q735-G738 PolarHBondContact O-N 3.19Å; A736-G738 VanDerWaalsContact C-N 3.34Å |
| 739 | S | 83.4 | Confident | 88.4 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | trans | -132.4 | 141.2 | 174.9 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | K734 Q735 | K734-S739 CarbonylContact C-O 3.5Å; K734-S739 VanDerWaalsContact CG-O 3.28Å; K734-S739 WeakPolarHBondContact CG-O 3.48Å; K734-S739 PolarHBondContact O-N 2.89Å; Q735-S739 VanDerWaalsContact CA-O 3.28Å; Q735-S739 WeakPolarHBondContact CA-O 3.4Å; Q735-S739 PolarHBondContact N-O 3.17Å | ||
| 740 | D | 87.3 | Confident | 87.8 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | trans | -92 | 161.6 | 177.2 | -162.8 | 18.2 | 0 | 0 | 0 | 112.2 | Q731 K734 Q735 | Q731-D740 WeakPolarHBondContact CG-OD1 3.42Å; Q731-D740 PolarHBondContact NE2-OD1 3.02Å; K734-D740 VanDerWaalsContact CE-O 3.31Å; K734-D740 WeakPolarHBondContact CE-O 3.48Å; Q735-D740 HydrophobicContact CG-CB 4.45Å; Q735-D740 PolarHBondContact NE2-OD1 3Å | ||
| 741 | V | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -137.7 | 120.3 | 169.9 | 51.7 | 0 | 0 | 0 | 0 | 109.2 | L672 I675 Q731 K734 I743 | L672-V741 HydrophobicContact CD2-CG1 4.37Å; L672-V741 HydrophobicContact CD2-CG2 4.18Å; L672-V741 HydrophobicContact CG-CG2 4.07Å; I675-V741 HydrophobicContact CG1-CG2 4.11Å; Q731-V741 HydrophobicContact CB-CG1 3.97Å; Q731-V741 HydrophobicContact CG-CG1 4.01Å; Q731-V741 WeakPolarHBondContact CG-O 3.28Å; Q731-V741 PolarHBondContact NE2-O 3.3Å; K734-V741 HydrophobicContact CB-CG1 4.18Å; K734-V741 HydrophobicContact CD-CB 3.68Å; K734-V741 HydrophobicContact CD-CG1 3.8Å; V741-I743 PolarHBondContact O-N 3.2Å | ||
| 742 | P | 92.3 | Very high | 86.4 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | trans | -73.7 | 129.2 | -176.4 | 28.9 | -33.9 | 0 | 0 | 0 | 111.3 | K674 I675 I744 | K674-P742 HydrophobicContact CB-CG 3.89Å; I675-P742 PolarHBondContact N-O 3.35Å; P742-I744 HydrophobicContact CB-CG1 4.3Å | ||
| 743 | I | 93.2 | Very high | 86 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 21% | 0.205 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.7 | 165.9 | -52.2 | 174.2 | 0 | 0 | 0 | 107.8 | I675 I677 A727 E728 Q731 V741 | I675-I743 HydrophobicContact CB-CG1 4.49Å; I675-I743 CarbonylContact O-C 3.59Å; I675-I743 WeakPolarHBondContact O-CA 3.25Å; I677-I743 HydrophobicContact CD1-CG2 4.09Å; A727-I743 HydrophobicContact CB-CD1 3.81Å; A727-I743 HydrophobicContact CB-CG1 4.17Å; A727-I743 HydrophobicContact CB-CG2 4.23Å; E728-I743 HydrophobicContact CG-CD1 3.94Å; Q731-I743 HydrophobicContact CB-CD1 4.18Å; Q731-I743 VanDerWaalsContact OE1-CD1 3.28Å; V741-I743 PolarHBondContact O-N 3.2Å |
| 744 | I | 93.1 | Very high | 85.7 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 32% | 0.323 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 107.3 | -172.1 | -54.2 | 176.5 | 0 | 0 | 0 | 109.6 | K674 I675 E676 I677 P742 K746 | K674-I744 HydrophobicContact CD-CD1 4.28Å; I675-I744 PolarHBondContact O-N 2.67Å; E676-I744 CarbonylContact C-O 3.59Å; E676-I744 WeakPolarHBondContact CA-O 3.43Å; E676-I744 HydrophobicContact CG-CB 4.42Å; I677-I744 PolarHBondContact N-O 2.97Å; P742-I744 HydrophobicContact CB-CG1 4.3Å; I744-K746 HydrophobicContact CG2-CB 4.46Å; I744-K746 HydrophobicContact CG2-CD 4.43Å; I744-K746 HydrophobicContact CG2-CG 4.29Å; I744-K746 PolarHBondContact O-N 3.44Å |
| 745 | E | 89.9 | Confident | 85.1 | Confident | 121 Ų | 121 | 79 Ų | 79 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 112.6 | 167.4 | -70.9 | -160.4 | -153.5 | 0 | 0 | 110.6 | I677 K720 | I677-E745 WeakPolarHBondContact O-CA 3.31Å; K720-E745 VanDerWaalsContact CE-OE1 3.3Å; K720-E745 WeakPolarHBondContact CE-OE1 3.3Å; K720-E745 WeakPolarHBondContact CE-OE2 3.18Å; K720-E745 IonicContact NZ-OE1 3.52Å; K720-E745 PolarHBondContact NZ-OE1 3.25Å; K720-E745 IonicContact NZ-OE2 3.23Å; K720-E745 PolarHBondContact NZ-OE2 3.39Å |
| 746 | K | 88.2 | Confident | 84.5 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 27% | 0.274 | 41% | 0.414 | S | S | . | . | trans | -155.9 | 162 | 171.7 | 70.3 | 169.4 | -171.1 | -171.2 | 0 | 111.6 | E676 I677 G678 I744 L748 E749 | E676-K746 VanDerWaalsContact OE1-CE 3.22Å; E676-K746 WeakPolarHBondContact OE1-CE 3.38Å; E676-K746 IonicContact OE1-NZ 2.61Å; E676-K746 PolarHBondContact OE1-NZ 3.26Å; E676-K746 WeakPolarHBondContact OE2-CE 3.47Å; E676-K746 IonicContact OE2-NZ 2.73Å; E676-K746 PolarHBondContact OE2-NZ 3.44Å; I677-K746 PolarHBondContact O-N 3.35Å; I677-K746 VanDerWaalsContact O-O 3.07Å; G678-K746 WeakPolarHBondContact CA-O 3.29Å; I744-K746 HydrophobicContact CG2-CB 4.46Å; I744-K746 HydrophobicContact CG2-CD 4.43Å; I744-K746 HydrophobicContact CG2-CG 4.29Å; I744-K746 PolarHBondContact O-N 3.44Å; K746-L748 PolarHBondContact O-N 3.13Å; K746-E749 IonicContact NZ-OE1 3.03Å; K746-E749 PolarHBondContact NZ-OE1 3.04Å | ||
| 747 | K | 84.4 | Confident | 83.6 | Confident | 174 Ų | 174 | 76.5 Ų | 76.5 | 76% | 0.757 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -61 | 123.1 | 166.7 | -172.1 | 175.3 | -176.7 | 176.4 | 0 | 109.9 | ||
| 748 | L | 85.6 | Confident | 82.5 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 139.9 | -176.5 | -63 | 179.7 | 0 | 0 | 0 | 111.7 | E676 C691 R693 T707 K746 | E676-L748 HydrophobicContact CB-CD2 3.86Å; C691-L748 HydrophobicContact CB-CD1 3.67Å; R693-L748 HydrophobicContact CB-CD2 4.21Å; T707-L748 HydrophobicContact CG2-CD1 4.43Å; K746-L748 PolarHBondContact O-N 3.13Å |
| 749 | E | 80.5 | Confident | 81.2 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 134.3 | -179.3 | -70.7 | 169.1 | -125.2 | 0 | 0 | 111.1 | R693 K746 K751 | R693-E749 PolarHBondContact NH1-O 3Å; K746-E749 IonicContact NZ-OE1 3.03Å; K746-E749 PolarHBondContact NZ-OE1 3.04Å; E749-K751 HydrophobicContact CB-CD 4.34Å; E749-K751 PolarHBondContact O-N 3.23Å; E749-K751 WeakPolarHBondContact OE2-CE 3.48Å; E749-K751 IonicContact OE2-NZ 2.69Å; E749-K751 PolarHBondContact OE2-NZ 3.19Å |
| 750 | R | 76.1 | Confident | 79.7 | Confident | 166 Ų | 166 | 77.9 Ų | 77.9 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -73.8 | 76.3 | 173.1 | -70.3 | 178.2 | 175.3 | 169.7 | -6 | 110.5 | P681 T682 L683 | P681-R750 HydrophobicContact CB-CG 4.3Å; T682-R750 PolarHBondContact O-NE 3.43Å; T682-R750 PolarHBondContact O-NH2 3.16Å; L683-R750 PolarHBondContact O-NH2 3.12Å |
| 751 | K | 75.8 | Confident | 77.3 | Confident | 125 Ų | 125 | 75 Ų | 75 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | trans | -136.6 | 141.7 | 172.9 | -65.6 | 170.2 | 179.4 | 166 | 0 | 106.8 | F705 E749 | F705-K751 HydrophobicContact CZ-CB 4.4Å; F705-K751 WeakPolarHBondContact CZ-O 3.15Å; E749-K751 HydrophobicContact CB-CD 4.34Å; E749-K751 PolarHBondContact O-N 3.23Å; E749-K751 WeakPolarHBondContact OE2-CE 3.48Å; E749-K751 IonicContact OE2-NZ 2.69Å; E749-K751 PolarHBondContact OE2-NZ 3.19Å | ||
| 752 | S | 75.1 | Confident | 74.8 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 156 | 167 | 57.7 | 0 | 0 | 0 | 0 | 110 | F705 | F705-S752 WeakPolarHBondContact CZ-O 3.24Š|
| 753 | S | 82.9 | Confident | 71.9 | Confident | 15 Ų | 15 | 91.8 Ų | 91.8 | 11% | 0.105 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 160.9 | 168.2 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | D627 F705 H756 | D627-S753 PolarHBondContact OD2-N 3.43Å; D627-S753 VanDerWaalsContact OD2-N 3.08Å; F705-S753 VanDerWaalsContact CZ-N 3.34Å; F705-S753 PolarHBondContact N-OG 2.85Å; F705-S753 VanDerWaalsContact O-CB 3.27Å; F705-S753 WeakPolarHBondContact O-CB 3.28Å; F705-S753 PolarHBondContact O-OG 3.07Å; S753-H756 PolarHBondContact OG-CE1 3.18Å |
| 754 | K | 82.9 | Confident | 69.3 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 149 | 153.7 | -74.5 | 174 | 177.8 | 175.6 | 0 | 109.5 | S702 G703 Y704 H756 | S702-K754 PolarHBondContact O-NZ 2.84Å; G703-K754 WeakPolarHBondContact O-CG 3.28Å; G703-K754 PolarHBondContact O-N 2.92Å; Y704-K754 HydrophobicContact CD1-CB 3.47Å; Y704-K754 VanDerWaalsContact CD1-CB 3.47Å; Y704-K754 HydrophobicContact CD1-CD 4.35Å; Y704-K754 HydrophobicContact CD2-CD 4.1Å; Y704-K754 HydrophobicContact CE1-CB 3.44Å; Y704-K754 VanDerWaalsContact CE1-CB 3.44Å; Y704-K754 HydrophobicContact CE1-CD 4.02Å; Y704-K754 HydrophobicContact CE1-CG 4.4Å; Y704-K754 HydrophobicContact CE2-CD 3.73Å; Y704-K754 HydrophobicContact CG-CB 4.07Å; Y704-K754 HydrophobicContact CG-CD 4.37Å; K754-H756 PolarHBondContact O-N 3.34Å |
| 755 | P | 77.9 | Confident | 66.4 | Low | 114 Ų | 114 | 100.5 Ų | 100.5 | 74% | 0.74 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 132.3 | -178.2 | 24.5 | -34.3 | 0 | 0 | 0 | 111.4 | E757 | P755-E757 PolarHBondContact O-N 2.64Š|
| 756 | H | 77.8 | Confident | 63.6 | Low | 34 Ų | 34 | 102.3 Ų | 102.3 | 16% | 0.157 | 51% | 0.51 | C | S | . | . | trans | -76.6 | 115 | 179.4 | -59.6 | -73.3 | 0 | 0 | 0 | 109.7 | Q663 Y696 F705 H706 S753 K754 | Q663-H756 PolarHBondContact NE2-O 3.31Å; Y696-H756 AromaticContact CE1-ND1 3.93Å; Y696-H756 AromaticContact CZ-ND1 3.84Å; Y696-H756 PolarHBondContact OH-ND1 3.39Å; F705-H756 PolarHBondContact O-CE1 3.33Å; F705-H756 VanDerWaalsContact O-CE1 3.28Å; H706-H756 AromaticContact CE1-CE1 3.46Å; H706-H756 PolarHBondContact CE1-CE1 3.03Å; H706-H756 VanDerWaalsContact CE1-CE1 3.46Å; H706-H756 AromaticContact CE1-ND1 3.4Å; H706-H756 PolarHBondContact CE1-ND1 3.43Å; H706-H756 AromaticContact ND1-CE1 3.57Å; H706-H756 AromaticContact ND1-ND1 3.96Å; H706-H756 AromaticContact ND1-NE2 3.95Å; H706-H756 AromaticContact NE2-ND1 3.98Å; S753-H756 PolarHBondContact OG-CE1 3.18Å; K754-H756 PolarHBondContact O-N 3.34Å | ||
| 757 | E | 69.6 | Low | 61.3 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | trans | -82 | 147.8 | 168.5 | -69 | -176.3 | -150 | 0 | 0 | 110.7 | Q665 Y698 K699 P755 I759 | Q665-E757 PolarHBondContact NE2-O 2.77Å; Y698-E757 HydrophobicContact CE1-CB 4.06Å; Y698-E757 HydrophobicContact CE1-CG 4.27Å; Y698-E757 PolarHBondContact OH-OE2 3.35Å; K699-E757 IonicContact NZ-OE1 3.91Å; K699-E757 PolarHBondContact NZ-OE1 3.48Å; K699-E757 IonicContact NZ-OE2 2.67Å; K699-E757 PolarHBondContact NZ-OE2 2.72Å; P755-E757 PolarHBondContact O-N 2.64Å; E757-I759 WeakPolarHBondContact O-CG1 3.41Å; E757-I759 PolarHBondContact O-N 3.32Å; E757-I759 VanDerWaalsContact O-N 3.08Å | ||
| 758 | D | 61.5 | Low | 59.1 | Low | 85 Ų | 85 | 103.5 Ų | 103.5 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | trans | -69.1 | 105.6 | 172.3 | -73.9 | -47.1 | 0 | 0 | 0 | 111.4 | Q663 Y664 I760 G761 | Q663-D758 WeakPolarHBondContact CG-OD1 3.36Å; Y664-D758 PolarHBondContact N-OD1 2.79Å; D758-I760 VanDerWaalsContact C-N 3.27Å; D758-I760 PolarHBondContact O-N 3.1Å; D758-G761 PolarHBondContact O-N 2.96Å | ||
| 759 | I | 56.7 | Low | 56.9 | Low | 48 Ų | 48 | 109.4 Ų | 109.4 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | -22.1 | -171.3 | -59.8 | -176.9 | 0 | 0 | 0 | 112.3 | Q665 L667 Y696 Y698 E757 | Q665-I759 HydrophobicContact CG-CD1 4.38Å; Q665-I759 HydrophobicContact CG-CG1 4.16Å; L667-I759 HydrophobicContact CD2-CD1 3.32Å; L667-I759 HydrophobicContact CG-CD1 4.07Å; Y696-I759 HydrophobicContact CE2-CD1 4.35Å; Y698-I759 HydrophobicContact CD2-CD1 3.6Å; Y698-I759 HydrophobicContact CD2-CG1 4.08Å; Y698-I759 HydrophobicContact CE2-CB 4.42Å; Y698-I759 HydrophobicContact CE2-CD1 3.66Å; Y698-I759 HydrophobicContact CE2-CG1 3.58Å; Y698-I759 HydrophobicContact CE2-CG2 4.21Å; Y698-I759 HydrophobicContact CG-CD1 4.41Å; E757-I759 WeakPolarHBondContact O-CG1 3.41Å; E757-I759 PolarHBondContact O-N 3.32Å; E757-I759 VanDerWaalsContact O-N 3.08Å |
| 760 | I | 51.8 | Low | 54.8 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127 | 81.2 | 158 | -55 | -178 | 0 | 0 | 0 | 108 | R666 D758 | R666-I760 HydrophobicContact CB-CD1 4.39Å; D758-I760 VanDerWaalsContact C-N 3.27Å; D758-I760 PolarHBondContact O-N 3.1Å |
| 761 | G | 36.2 | Very low | 52.9 | Low | 36 Ų | 36 | 109 Ų | 109 | 37% | 0.371 | 60% | 0.601 | S | S | . | * | trans | -60.3 | 137.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D758 R763 | D758-G761 PolarHBondContact O-N 2.96Å; G761-R763 PolarHBondContact O-N 3.47Å | ||
| 762 | I | 40.2 | Very low | 51.1 | Low | 181 Ų | 181 | 111.7 Ų | 111.7 | 93% | 0.928 | 62% | 0.616 | S | S | * | * | trans | -74.8 | 61.4 | 173.4 | -50.2 | 178.4 | 0 | 0 | 0 | 109.2 | ||||
| 763 | R | 30.6 | Very low | 49.3 | Very low | 232 Ų | 232 | 109.7 Ų | 109.7 | 88% | 0.875 | 61% | 0.607 | S | S | * | * | trans | -94.8 | 131.5 | 179.8 | -81.3 | -170.8 | 168.9 | -169.5 | -2.5 | 110.9 | G761 Q765 | G761-R763 PolarHBondContact O-N 3.47Å; R763-Q765 PolarHBondContact O-N 3.36Å | ||
| 764 | S | 37.8 | Very low | 47 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | trans | -78.7 | 80.4 | -172 | -180 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 765 | Q | 33.6 | Very low | 44.7 | Very low | 182 Ų | 182 | 118.9 Ų | 118.9 | 85% | 0.85 | 65% | 0.651 | S | S | * | * | trans | -131.1 | 76.9 | 165.5 | -77.9 | -166.4 | -28.3 | 0 | 0 | 112.3 | R763 | R763-Q765 PolarHBondContact O-N 3.36Š| ||
| 766 | N | 30.4 | Very low | 42.7 | Very low | 158 Ų | 158 | 120.1 Ų | 120.1 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | trans | -171 | 92.4 | 138.4 | -99.1 | -25.9 | 0 | 0 | 0 | 109.5 | G768 | N766-G768 VanDerWaalsContact C-N 3.25Å; N766-G768 PolarHBondContact O-N 3.3Å | ||
| 767 | Q | 39.7 | Very low | 40.8 | Very low | 206 Ų | 206 | 123.5 Ų | 123.5 | 96% | 0.963 | 66% | 0.663 | S | S | * | * | trans | -78 | 80.7 | 166.7 | -83 | -174.6 | -26 | 0 | 0 | 109.3 | ||||
| 768 | G | 38 | Very low | 39.1 | Very low | 57 Ų | 57 | 125.9 Ų | 125.9 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -162.8 | 113.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | N766 L770 | N766-G768 VanDerWaalsContact C-N 3.25Å; N766-G768 PolarHBondContact O-N 3.3Å; G768-L770 PolarHBondContact O-N 3.33Å |
| 769 | S | 40.3 | Very low | 37.9 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 92% | 0.916 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 65.4 | 25.7 | 168.7 | -142.1 | 0 | 0 | 0 | 0 | 119.4 | ||
| 770 | L | 36.4 | Very low | 36.7 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | trans | -137.1 | 26.8 | 170.4 | -146.1 | 79.3 | 0 | 0 | 0 | 116.5 | G768 Q772 G773 | G768-L770 PolarHBondContact O-N 3.33Å; L770-Q772 VanDerWaalsContact C-N 3.25Å; L770-Q772 PolarHBondContact O-N 3.26Å; L770-G773 PolarHBondContact O-N 3.14Å | ||
| 771 | A | 35.4 | Very low | 35.8 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -62.7 | -29 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 772 | Q | 38.9 | Very low | 35.8 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -77.8 | -19.9 | -178.8 | -71.4 | 178.4 | -23.1 | 0 | 0 | 114 | L770 | L770-Q772 VanDerWaalsContact C-N 3.25Å; L770-Q772 PolarHBondContact O-N 3.26Å |
| 773 | G | 37 | Very low | 35.5 | Very low | 30 Ų | 30 | 126.8 Ų | 126.8 | 31% | 0.309 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.8 | -41.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L770 N775 F776 | L770-G773 PolarHBondContact O-N 3.14Å; G773-N775 PolarHBondContact O-N 3.35Å; G773-F776 PolarHBondContact O-N 3.26Å |
| 774 | K | 34.6 | Very low | 35.6 | Very low | 164 Ų | 164 | 121 Ų | 121 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.5 | -39 | -172.9 | -79.3 | -174.2 | 171.8 | -179 | 0 | 113.5 | ||
| 775 | N | 33.5 | Very low | 35.4 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.5 | -24.3 | -178.8 | -69.2 | -0.5 | 0 | 0 | 0 | 112.9 | G773 S779 | G773-N775 PolarHBondContact O-N 3.35Å; N775-S779 PolarHBondContact O-OG 3.26Å; N775-S779 VanDerWaalsContact O-OG 3.04Å |
| 776 | F | 37 | Very low | 35.5 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 61% | 0.614 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.4 | -30.2 | 179.5 | -163.7 | -103 | 0 | 0 | 0 | 113.3 | G773 | G773-F776 PolarHBondContact O-N 3.26Å |
| 777 | L | 37.7 | Very low | 35.6 | Very low | 105 Ų | 105 | 120 Ų | 120 | 55% | 0.55 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -81 | -47.2 | 177.3 | -92.6 | 162.6 | 0 | 0 | 0 | 113 | S779 K780 F781 | L777-S779 PolarHBondContact O-N 3.24Å; L777-K780 PolarHBondContact O-N 3.48Å; L777-F781 HydrophobicContact CD2-CD2 4.15Å; L777-F781 HydrophobicContact CD2-CE2 3.82Å; L777-F781 PolarHBondContact O-N 3.31Å |
| 778 | M | 34.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 114.3 Ų | 114.3 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.8 | -30.1 | -171.5 | -78.8 | -65 | 174.9 | 0 | 0 | 114.8 | S782 | M778-S782 PolarHBondContact O-N 3.16Å; M778-S782 PolarHBondContact O-OG 3.1Å; M778-S782 VanDerWaalsContact O-OG 3.13Å |
| 779 | S | 35 | Very low | 34.9 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68.2 | -33.9 | 175.9 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | N775 L777 S783 | N775-S779 PolarHBondContact O-OG 3.26Å; N775-S779 VanDerWaalsContact O-OG 3.04Å; L777-S779 PolarHBondContact O-N 3.24Å; S779-S783 PolarHBondContact O-N 3.36Å; S779-S783 PolarHBondContact O-OG 3.44Å |
| 780 | K | 33 | Very low | 34.6 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 52% | 0.522 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -82.8 | -34.1 | -178.9 | -74.8 | -178.8 | 175.5 | 172.2 | 0 | 113.8 | L777 S783 L784 | L777-K780 PolarHBondContact O-N 3.48Å; K780-S783 PolarHBondContact O-OG 3.42Å; K780-L784 VanDerWaalsContact O-CB 3.29Å; K780-L784 WeakPolarHBondContact O-CB 3.47Å; K780-L784 PolarHBondContact O-N 2.75Å; K780-L784 VanDerWaalsContact O-N 3.1Å |
| 781 | F | 32.8 | Very low | 34.3 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 57% | 0.566 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.9 | -39.5 | 175.1 | -92 | -84.9 | 0 | 0 | 0 | 112.9 | L777 N785 | L777-F781 HydrophobicContact CD2-CD2 4.15Å; L777-F781 HydrophobicContact CD2-CE2 3.82Å; L777-F781 PolarHBondContact O-N 3.31Å; F781-N785 PolarHBondContact O-N 3.37Å |
| 782 | S | 35 | Very low | 34 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.7 | -47.2 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | M778 Q786 | M778-S782 PolarHBondContact O-N 3.16Å; M778-S782 PolarHBondContact O-OG 3.1Å; M778-S782 VanDerWaalsContact O-OG 3.13Å; S782-Q786 PolarHBondContact O-N 2.88Å |
| 783 | S | 34.1 | Very low | 33.3 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 44% | 0.441 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.1 | -28.7 | -178 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | S779 K780 K787 | S779-S783 PolarHBondContact O-N 3.36Å; S779-S783 PolarHBondContact O-OG 3.44Å; K780-S783 PolarHBondContact O-OG 3.42Å; S783-K787 PolarHBondContact O-N 3.41Å |
| 784 | L | 33 | Very low | 32.9 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 58% | 0.581 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.9 | -44.2 | 176.3 | -170.1 | 62 | 0 | 0 | 0 | 112.1 | K780 Q786 K787 V788 | K780-L784 VanDerWaalsContact O-CB 3.29Å; K780-L784 WeakPolarHBondContact O-CB 3.47Å; K780-L784 PolarHBondContact O-N 2.75Å; K780-L784 VanDerWaalsContact O-N 3.1Å; L784-Q786 VanDerWaalsContact C-N 3.26Å; L784-Q786 PolarHBondContact O-N 3.02Å; L784-K787 PolarHBondContact O-N 2.83Å; L784-V788 HydrophobicContact CD1-CG2 4.47Å; L784-V788 HydrophobicContact CG-CG2 4.43Å; L784-V788 WeakPolarHBondContact O-CG2 3.31Å; L784-V788 PolarHBondContact O-N 2.8Å |
| 785 | N | 33.6 | Very low | 32.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.8 | -33.4 | 178.1 | -97.5 | -42.8 | 0 | 0 | 0 | 112.8 | F781 K789 | F781-N785 PolarHBondContact O-N 3.37Å; N785-K789 PolarHBondContact O-N 2.81Å |
| 786 | Q | 34.9 | Very low | 32 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.5 | -39.2 | 176.3 | -135.8 | 176.1 | 16.2 | 0 | 0 | 112.5 | S782 L784 | S782-Q786 PolarHBondContact O-N 2.88Å; L784-Q786 VanDerWaalsContact C-N 3.26Å; L784-Q786 PolarHBondContact O-N 3.02Å |
| 787 | K | 33.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.4 | -33 | 175.7 | -83.7 | 177.9 | 175.2 | 170.7 | 0 | 113.6 | S783 L784 Q790 | S783-K787 PolarHBondContact O-N 3.41Å; L784-K787 PolarHBondContact O-N 2.83Å; K787-Q790 PolarHBondContact O-N 2.82Å |
| 788 | V | 32.8 | Very low | 30.9 | Very low | 86 Ų | 86 | 127 Ų | 127 | 52% | 0.521 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.9 | -34 | 177.3 | 173 | 0 | 0 | 0 | 0 | 112 | L784 Q790 T791 | L784-V788 HydrophobicContact CD1-CG2 4.47Å; L784-V788 HydrophobicContact CG-CG2 4.43Å; L784-V788 WeakPolarHBondContact O-CG2 3.31Å; L784-V788 PolarHBondContact O-N 2.8Å; V788-Q790 PolarHBondContact O-N 2.94Å; V788-T791 PolarHBondContact O-N 2.76Å |
| 789 | K | 30.7 | Very low | 30.5 | Very low | 200 Ų | 200 | 128.1 Ų | 128.1 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -17.1 | 174.7 | -89.3 | -176.7 | 175.7 | 175.4 | 0 | 114.9 | N785 | N785-K789 PolarHBondContact O-N 2.81Š|
| 790 | Q | 33.3 | Very low | 30 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 0.7 | -179.5 | -67.5 | -165.1 | -2.1 | 0 | 0 | 115.1 | K787 V788 | K787-Q790 PolarHBondContact O-N 2.82Å; V788-Q790 PolarHBondContact O-N 2.94Å |
| 791 | T | 30.7 | Very low | 29.7 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -131.7 | 119.5 | -174.5 | -35.9 | 0 | 0 | 0 | 0 | 113 | V788 | V788-T791 PolarHBondContact O-N 2.76Š|
| 792 | K | 28.7 | Very low | 29.4 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 69.7 | 70.4 | 177.8 | -57.3 | 175.9 | -177.2 | 173 | 0 | 116.9 | ||||
| 793 | S | 24.7 | Very low | 29 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -91.4 | 81.1 | 140.1 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 794 | N | 28.2 | Very low | 28.5 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -137.1 | 133.9 | 173.2 | -139.6 | -4.5 | 0 | 0 | 0 | 111.2 | ||||
| 795 | V | 27.8 | Very low | 28.1 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -63.5 | 136.6 | -165.9 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | I797 | V795-I797 HydrophobicContact CG1-CG1 3.91Š| ||
| 796 | N | 21.8 | Very low | 27.7 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -99.2 | 106.7 | 164.8 | -161.3 | 12.7 | 0 | 0 | 0 | 109.6 | ||||
| 797 | I | 27.5 | Very low | 27.2 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -89.6 | 120.1 | 173.2 | -74.7 | 169.4 | 0 | 0 | 0 | 107.8 | V795 | V795-I797 HydrophobicContact CG1-CG1 3.91Š| ||
| 798 | G | 23.5 | Very low | 26.8 | Very low | 57 Ų | 57 | 153.2 Ų | 153.2 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | trans | -155.9 | 60.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 799 | N | 26.1 | Very low | 26.4 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 150 | 109.6 | 134.7 | -78.2 | -20.1 | 0 | 0 | 0 | 113.1 | ||||
| 800 | L | 25.2 | Very low | 26.1 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -148 | 80 | 161.1 | -127.1 | 170.8 | 0 | 0 | 0 | 109.9 | ||||
| 801 | R | 26.3 | Very low | 25.6 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -150.2 | 72.5 | 173.2 | -79.5 | -162.5 | 175.8 | -163.9 | -0.3 | 111.9 | ||||
| 802 | K | 25.9 | Very low | 25.2 | Very low | 205 Ų | 205 | 158.1 Ų | 158.1 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -173.3 | 79.1 | 150.8 | -111.2 | 179.9 | -180 | -173.4 | 0 | 112.9 | ||||
| 803 | L | 26.6 | Very low | 25 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -169.8 | 144.6 | 149 | -123 | 66.2 | 0 | 0 | 0 | 103.3 | ||||
| 804 | G | 23.6 | Very low | 25 | Very low | 53 Ų | 53 | 156.3 Ų | 156.3 | 55% | 0.546 | 81% | 0.813 | S | S | . | * | cis | 138.1 | 120 | 14.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | F806 | G804-F806 PolarHBondContact O-N 2.77Å; G804-F806 VanDerWaalsContact O-N 3.17Å | ||
| 805 | N | 24.7 | Very low | 24.7 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -61.4 | 120.8 | -171.7 | -81.5 | -3.3 | 0 | 0 | 0 | 111.1 | ||||
| 806 | F | 24.9 | Very low | 24.5 | Very low | 189 Ų | 189 | 161.1 Ų | 161.1 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -129.5 | 136.6 | 163 | -84.9 | -81 | 0 | 0 | 0 | 110.2 | G804 | G804-F806 PolarHBondContact O-N 2.77Å; G804-F806 VanDerWaalsContact O-N 3.17Å | ||
| 807 | T | 24.8 | Very low | 24.7 | Very low | 130 Ų | 130 | 162.1 Ų | 162.1 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 166.1 | 177.4 | 42 | 0 | 0 | 0 | 0 | 111.4 | P809 | T807-P809 WeakPolarHBondContact O-CD 3.4Š|
| 808 | K | 24.1 | Very low | 24.8 | Very low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 126.5 | 172 | -69.3 | 178.9 | 175.5 | -178.9 | 0 | 110.7 | ||
| 809 | P | 25.9 | Very low | 24.8 | Very low | 112 Ų | 112 | 165 Ų | 165 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 122.4 | 153 | 31.9 | -27.8 | 0 | 0 | 0 | 108.9 | T807 | T807-P809 WeakPolarHBondContact O-CD 3.4Š|
| 810 | E | 24 | Very low | 24.7 | Very low | 186 Ų | 186 | 165.4 Ų | 165.4 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 134 | 151.6 | -66 | -172.1 | 144.1 | 0 | 0 | 107.8 | ||
| 811 | M | 22.9 | Very low | 24.6 | Very low | 173 Ų | 173 | 166.4 Ų | 166.4 | 85% | 0.852 | 83% | 0.829 | S | S | * | * | trans | -132.9 | 113.1 | 166.1 | -86.7 | -169.1 | 162.7 | 0 | 0 | 110.3 | ||||
| 812 | K | 23 | Very low | 24.5 | Very low | 198 Ų | 198 | 161.5 Ų | 161.5 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -67.4 | 131.6 | 162.7 | -63 | 177.3 | 179.8 | 178.4 | 0 | 108 | ||||
| 813 | V | 23.4 | Very low | 24.4 | Very low | 131 Ų | 131 | 158.5 Ų | 158.5 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -94.9 | 111 | 171.3 | -178.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 814 | N | 24 | Very low | 24.2 | Very low | 145 Ų | 145 | 157.6 Ų | 157.6 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -81.9 | 139.4 | 170 | -76 | -7.8 | 0 | 0 | 0 | 109.7 | ||||
| 815 | F | 22.6 | Very low | 24.3 | Very low | 195 Ų | 195 | 166.6 Ų | 166.6 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | trans | -72.5 | 137.2 | 179.2 | -72 | -96 | 0 | 0 | 0 | 112.3 | ||||
| 816 | L | 24.6 | Very low | 24.3 | Very low | 179 Ų | 179 | 166.7 Ų | 166.7 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -134 | 126.3 | 154.6 | -71.6 | 175.5 | 0 | 0 | 0 | 108.1 | ||||
| 817 | K | 25 | Very low | 24.3 | Very low | 179 Ų | 179 | 163.4 Ų | 163.4 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | trans | -90.3 | 162 | -179.9 | -97.4 | -172.2 | 177.2 | -179.8 | 0 | 111.5 | ||||
| 818 | P | 30.2 | Very low | 24.2 | Very low | 113 Ų | 113 | 164.8 Ų | 164.8 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -97.6 | 170.7 | -152.9 | 38.2 | -38.4 | 0 | 0 | 0 | 115.2 | ||||
| 819 | N | 22.3 | Very low | 24.2 | Very low | 161 Ų | 161 | 161.2 Ų | 161.2 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -148.5 | 109.8 | 159.4 | -98.9 | -66.6 | 0 | 0 | 0 | 110.8 | ||||
| 820 | L | 25.5 | Very low | 24.1 | Very low | 172 Ų | 172 | 161.5 Ų | 161.5 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | trans | -159 | 148.2 | 146.9 | -138.7 | 82.3 | 0 | 0 | 0 | 109.8 | ||||
| 821 | K | 23.2 | Very low | 24.1 | Very low | 192 Ų | 192 | 160.3 Ų | 160.3 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -95.4 | 145.5 | -178.8 | -64.2 | 177.4 | 179 | 178.7 | 0 | 110.9 | ||||
| 822 | V | 24 | Very low | 24.2 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -114.9 | 127.9 | 167.5 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 823 | N | 24.1 | Very low | 24.3 | Very low | 142 Ų | 142 | 157.2 Ų | 157.2 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | trans | -90 | 137.1 | 176.2 | -80.2 | -12.7 | 0 | 0 | 0 | 110.7 | ||||
| 824 | L | 22.3 | Very low | 24.3 | Very low | 148 Ų | 148 | 160 Ų | 160 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | trans | -92.8 | 130 | -179.1 | -175.8 | 77.8 | 0 | 0 | 0 | 110.2 | ||||
| 825 | W | 25.3 | Very low | 24.3 | Very low | 242 Ų | 242 | 161 Ų | 161 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -122.1 | 137.4 | 163 | -86.8 | 62.4 | 0 | 0 | 0 | 109.4 | ||||
| 826 | K | 24.8 | Very low | 24.4 | Very low | 174 Ų | 174 | 158.7 Ų | 158.7 | 76% | 0.757 | 83% | 0.829 | S | S | * | * | trans | -91.1 | 160.2 | -173 | -65.9 | -178.5 | 177 | -177.3 | 0 | 111.5 | ||||
| 827 | S | 24.1 | Very low | 24.3 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -107.6 | 120.2 | 164.4 | -51 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 828 | D | 22.1 | Very low | 24.3 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -102.2 | 159.1 | 164.7 | -80.6 | -54.4 | 0 | 0 | 0 | 109.9 | ||||
| 829 | S | 24 | Very low | 24 | Very low | 122 Ų | 122 | 152 Ų | 152 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -139 | 123.5 | -163.8 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 830 | S | 24.7 | Very low | 24.1 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -158.8 | 149 | 157.2 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 831 | L | 24.4 | Very low | 24 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -149.9 | 106.1 | 176.8 | -167.8 | 171.1 | 0 | 0 | 0 | 105.7 | ||||
| 832 | E | 25 | Very low | 24.1 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -100.6 | 147.1 | 179.3 | -72.4 | -165.8 | 152.8 | 0 | 0 | 111.9 | ||||
| 833 | T | 24.1 | Very low | 24 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -95.5 | 151 | -176.9 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 834 | M | 24.3 | Very low | 24 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -128.3 | 125.4 | 149.7 | -73.2 | -154.8 | 74.5 | 0 | 0 | 110.2 | ||||
| 835 | E | 23.2 | Very low | 24.1 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | trans | -102.4 | 159.7 | 171.7 | -58.5 | -177.3 | 122.8 | 0 | 0 | 110.2 | ||||
| 836 | N | 24.4 | Very low | 24.1 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | 157.4 | 141.5 | 150 | -85.1 | -17.1 | 0 | 0 | 0 | 109.7 | ||||
| 837 | T | 24.1 | Very low | 24.1 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | cis | -164.5 | 140.7 | -12.4 | 10 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 838 | G | 23.1 | Very low | 24.2 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 84.7 | 116 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 839 | V | 25.3 | Very low | 24.3 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 79.3 | 115.2 | 134.9 | -173.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 840 | M | 23.7 | Very low | 24.4 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | 37.1 | 151 | 139.7 | -56.8 | 172.4 | 63.1 | 0 | 0 | 121.5 | ||||
| 841 | D | 23.7 | Very low | 24.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | cis | -154.1 | 173.8 | 25.5 | -155.1 | 1.3 | 0 | 0 | 0 | 113.8 | ||||
| 842 | K | 24.4 | Very low | 24.6 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 8 | 125.5 | 167.4 | -74.5 | 153.8 | -168.6 | 150.3 | 0 | 125 | ||||
| 843 | V | 23.6 | Very low | 24.7 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | 43.5 | 114 | 115.6 | -173.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 844 | Q | 23.2 | Very low | 24.8 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | -164.5 | 137.6 | 124.7 | -102.3 | 168.7 | -54.6 | 0 | 0 | 107.7 | |||||
| 845 | A | 24.8 | Very low | 25 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | 58.6 | 131 | 83.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 846 | E | 25 | Very low | 25.1 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | cis | -152.5 | 174.4 | 15.9 | -63.5 | -177.4 | 154.5 | 0 | 0 | 108.1 | ||||
| 847 | S | 25.2 | Very low | 25.3 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | cis | -162.4 | -175.6 | -6.4 | 35.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 848 | D | 26 | Very low | 25.4 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -11 | 158.2 | 155.9 | -47 | -31.9 | 0 | 0 | 0 | 120.4 | ||||
| 849 | G | 24.9 | Very low | 25.6 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 155.4 | 169.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 850 | D | 26.3 | Very low | 25.8 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | 62.5 | 158.5 | 160.8 | -78.8 | 9 | 0 | 0 | 0 | 119.3 | ||||
| 851 | M | 25 | Very low | 25.9 | Very low | 150 Ų | 150 | 134 Ų | 134 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | cis | -151.7 | -174.4 | -4.4 | -122 | -64.1 | 163.8 | 0 | 0 | 112 | ||||
| 852 | S | 27.3 | Very low | 26.1 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -48.3 | 162.5 | 165.7 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 853 | S | 28.1 | Very low | 26.1 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | -179.3 | 152.5 | 64.3 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 854 | D | 25.3 | Very low | 26.2 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | -177.3 | 158.6 | 110.7 | -92.4 | -7.4 | 0 | 0 | 0 | 114.8 | |||||
| 855 | N | 28.6 | Very low | 26.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -134.2 | 152.5 | -159.7 | 179.2 | 33 | 0 | 0 | 0 | 109.5 | ||||
| 856 | D | 25.5 | Very low | 26.4 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -159.4 | 158.1 | 148.8 | -134.2 | -25.3 | 0 | 0 | 0 | 113.7 | ||||
| 857 | S | 28.2 | Very low | 26.5 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 50% | 0.497 | 76% | 0.758 | S | S | . | * | trans | -119.1 | 177 | -159.4 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 858 | Y | 25.5 | Very low | 26.7 | Very low | 225 Ų | 225 | 139.8 Ų | 139.8 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -167.7 | 160.8 | 130.1 | -105.2 | -69.8 | 0 | 0 | 0 | 110.9 | ||||
| 859 | H | 28.8 | Very low | 26.7 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | trans | -93.2 | 157.8 | -154.4 | -75.7 | -116.3 | 0 | 0 | 0 | 117.4 | D861 | H859-D861 IonicContact ND1-OD1 2.71Š| ||
| 860 | S | 28.3 | Very low | 26.9 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -154.3 | 136.7 | 137.4 | -64.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 861 | D | 25.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -92 | 155.3 | -166 | -47.6 | -82.2 | 0 | 0 | 0 | 114 | H859 | H859-D861 IonicContact ND1-OD1 2.71Š| ||
| 862 | E | 28.2 | Very low | 27 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | -171.4 | 139.4 | 114.3 | -106.7 | -170.8 | 171.1 | 0 | 0 | 114.5 | |||||
| 863 | F | 25.6 | Very low | 26.9 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 56.9 | 138.5 | 163.3 | -73 | -79.1 | 0 | 0 | 0 | 123.3 | ||||
| 864 | L | 25.3 | Very low | 26.7 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -106.6 | 149.8 | -175.6 | -64.2 | 159.8 | 0 | 0 | 0 | 111.5 | ||||
| 865 | T | 26.3 | Very low | 26.8 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | -152.8 | 140.1 | 127.1 | 36.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 866 | N | 25.5 | Very low | 26.6 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 176.3 | 166.4 | -60.5 | -38.7 | 0 | 0 | 0 | 109.8 | ||||
| 867 | S | 27.1 | Very low | 26.6 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | cis | -153.3 | 161.7 | 19.3 | -42.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 868 | K | 29.3 | Very low | 26.4 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | trans | -69.4 | 159.4 | 155.7 | -75.2 | 179.6 | 147.2 | -136.7 | 0 | 111.4 | D870 | K868-D870 WeakPolarHBondContact CD-OD2 3.47Å; K868-D870 IonicContact NZ-OD1 3.53Å; K868-D870 IonicContact NZ-OD2 3.99Å; K868-D870 PolarHBondContact NZ-OD2 2.98Å | ||
| 869 | S | 26.9 | Very low | 26.5 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -144 | 103.3 | 139.6 | 57.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 870 | D | 27.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 139.4 | 162.8 | -54.7 | -73.7 | 0 | 0 | 0 | 107.7 | K868 | K868-D870 WeakPolarHBondContact CD-OD2 3.47Å; K868-D870 IonicContact NZ-OD1 3.53Å; K868-D870 IonicContact NZ-OD2 3.99Å; K868-D870 PolarHBondContact NZ-OD2 2.98Å | ||
| 871 | E | 26.4 | Very low | 26.4 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -127.7 | 149.7 | 156.8 | -82.4 | -151.3 | 144.3 | 0 | 0 | 109.5 | ||||
| 872 | D | 27 | Very low | 26.4 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | -120.9 | 145.2 | -146.4 | -160.4 | 19 | 0 | 0 | 0 | 113.1 | ||||
| 873 | R | 26.4 | Very low | 26.4 | Very low | 207 Ų | 207 | 143.8 Ų | 143.8 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 33.1 | 130.7 | 162.2 | -66 | 138.1 | 92.5 | 179.5 | 7.9 | 120.4 | ||||
| 874 | Q | 24.4 | Very low | 26.6 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | -152.1 | 154.7 | 119.4 | -122.9 | 163.7 | 82.5 | 0 | 0 | 114.4 | |||||
| 875 | L | 26.3 | Very low | 26.6 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 62.1 | 105.8 | 167 | -60.1 | 170.6 | 0 | 0 | 0 | 117.9 | ||||
| 876 | A | 25.4 | Very low | 26.7 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -99.1 | 139.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 877 | N | 24.5 | Very low | 27 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -175.4 | 147.5 | 141.6 | -99.2 | -28.1 | 0 | 0 | 0 | 113 | ||||
| 878 | S | 25.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 78.3 | 150.8 | 167 | 76.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 879 | L | 27 | Very low | 27.9 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | 71.4 | 84.2 | 171.8 | -97.4 | 63.1 | 0 | 0 | 0 | 120.8 | ||||
| 880 | E | 26.6 | Very low | 28.6 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | 20.7 | 126.1 | 122 | -61.3 | 178 | 129.3 | 0 | 0 | 121.2 | |||||
| 881 | S | 28.7 | Very low | 29.7 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | 24.5 | 110.7 | 148.8 | 62.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 882 | V | 25.2 | Very low | 31 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 69% | 0.692 | S | S | * | * | trans | -125.5 | 134.4 | 145.7 | -177.7 | 0 | 0 | 0 | 0 | 108 | V885 | V882-V885 HydrophobicContact CG1-CG2 4.19Š| ||
| 883 | G | 28.2 | Very low | 32.8 | Very low | 55 Ų | 55 | 119.4 Ų | 119.4 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | trans | -74.5 | -175.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V885 | G883-V885 PolarHBondContact O-N 2.96Å; G883-V885 VanDerWaalsContact O-N 3.15Å | ||
| 884 | P | 29 | Very low | 34.9 | Very low | 133 Ų | 133 | 113 Ų | 113 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | trans | -60.1 | 120.1 | 174.2 | 26.2 | -33.7 | 0 | 0 | 0 | 110.3 | D886 | P884-D886 PolarHBondContact O-N 2.52Š| ||
| 885 | V | 25.5 | Very low | 37.2 | Very low | 97 Ų | 97 | 107.3 Ų | 107.3 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | trans | -77.9 | 106 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | V882 G883 Y887 | V882-V885 HydrophobicContact CG1-CG2 4.19Å; G883-V885 PolarHBondContact O-N 2.96Å; G883-V885 VanDerWaalsContact O-N 3.15Å; V885-Y887 HydrophobicContact CG1-CD2 4.34Å; V885-Y887 HydrophobicContact CG1-CE2 4.28Å; V885-Y887 WeakPolarHBondContact O-CD2 3.33Å; V885-Y887 PolarHBondContact O-N 2.93Å | ||
| 886 | D | 28.1 | Very low | 38.8 | Very low | 146 Ų | 146 | 103.1 Ų | 103.1 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -65.2 | 111.5 | 166.8 | -86.9 | -40.4 | 0 | 0 | 0 | 109.8 | P884 V888 | P884-D886 PolarHBondContact O-N 2.52Å; D886-V888 HydrophobicContact CB-CG2 4.35Å; D886-V888 PolarHBondContact O-N 2.92Å | ||
| 887 | Y | 32.8 | Very low | 39.8 | Very low | 189 Ų | 189 | 100.8 Ų | 100.8 | 74% | 0.741 | 60% | 0.602 | S | S | * | * | trans | -74.7 | 68.9 | 174.9 | -84.9 | -96.3 | 0 | 0 | 0 | 111.5 | V885 L889 | V885-Y887 HydrophobicContact CG1-CD2 4.34Å; V885-Y887 HydrophobicContact CG1-CE2 4.28Å; V885-Y887 WeakPolarHBondContact O-CD2 3.33Å; V885-Y887 PolarHBondContact O-N 2.93Å; Y887-L889 PolarHBondContact O-N 2.85Å | ||
| 888 | V | 36.3 | Very low | 40.3 | Very low | 122 Ų | 122 | 96.8 Ų | 96.8 | 74% | 0.739 | 59% | 0.592 | S | S | * | * | trans | -75.1 | 89.9 | 167.4 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | D886 P890 | D886-V888 HydrophobicContact CB-CG2 4.35Å; D886-V888 PolarHBondContact O-N 2.92Å; V888-P890 VanDerWaalsContact O-CD 3.31Å; V888-P890 WeakPolarHBondContact O-CD 3.33Å | ||
| 889 | L | 39.5 | Very low | 40.6 | Very low | 51 Ų | 51 | 95.9 Ų | 95.9 | 27% | 0.267 | 58% | 0.584 | S | S | . | * | trans | -64.8 | 120.6 | 172.5 | -69.8 | 175.9 | 0 | 0 | 0 | 109.5 | L396 Y887 S891 C892 | L396-L889 HydrophobicContact CD2-CD1 3.75Å; Y887-L889 PolarHBondContact O-N 2.85Å; L889-S891 PolarHBondContact O-N 3.13Å; L889-C892 PolarHBondContact O-N 3.4Å; L889-C892 VanDerWaalsContact O-N 3.17Å | ||
| 890 | P | 41.3 | Very low | 40.7 | Very low | 135 Ų | 135 | 100.7 Ų | 100.7 | 88% | 0.877 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -11.2 | 180 | -24.3 | 35.1 | 0 | 0 | 0 | 114.4 | V888 | V888-P890 VanDerWaalsContact O-CD 3.31Å; V888-P890 WeakPolarHBondContact O-CD 3.33Å |
| 891 | S | 48.9 | Very low | 40.8 | Very low | 48 Ų | 48 | 101 Ų | 101 | 34% | 0.336 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | -5.7 | -177.1 | -3.3 | 0 | 0 | 0 | 0 | 114.3 | N399 N400 S401 L889 | N399-S891 WeakPolarHBondContact ND2-CB 3.44Å; N399-S891 PolarHBondContact ND2-OG 3.43Å; N399-S891 VanDerWaalsContact OD1-CB 3.31Å; N399-S891 WeakPolarHBondContact OD1-CB 3.46Å; N399-S891 PolarHBondContact OD1-OG 3.06Å; N400-S891 CarbonylContact C-O 3.6Å; S401-S891 WeakPolarHBondContact CA-O 3.44Å; S401-S891 PolarHBondContact N-O 2.86Å; S401-S891 VanDerWaalsContact N-O 3.07Å; L889-S891 PolarHBondContact O-N 3.13Å |
| 892 | C | 54.5 | Low | 40.8 | Very low | 7 Ų | 7 | 99.1 Ų | 99.1 | 5% | 0.047 | 60% | 0.596 | C | S | . | * | S | Bend | trans | -140.6 | 112.9 | 178.9 | -116.5 | 0 | 0 | 0 | 0 | 111.2 | N400 L889 I894 | N400-C892 PolarHBondContact N-SG 2.96Å; N400-C892 VanDerWaalsContact N-SG 3.39Å; N400-C892 PolarHBondContact O-SG 3.15Å; N400-C892 VanDerWaalsContact O-SG 3.41Å; L889-C892 PolarHBondContact O-N 3.4Å; L889-C892 VanDerWaalsContact O-N 3.17Å; C892-I894 PolarHBondContact O-N 2.94Å |
| 893 | G | 65 | Low | 40.9 | Very low | 38 Ų | 38 | 98.7 Ų | 98.7 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.4 | 110.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T404 Y405 | T404-G893 CarbonylContact C-O 3.6Å; T404-G893 WeakPolarHBondContact CA-O 3.41Å; T404-G893 WeakPolarHBondContact CG2-O 3.35Å; Y405-G893 PolarHBondContact N-O 3.19Å |
| 894 | I | 70.9 | Confident | 40.8 | Very low | 73 Ų | 73 | 107 Ų | 107 | 37% | 0.374 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.4 | 174.6 | -63.2 | 173 | 0 | 0 | 0 | 108.7 | L392 L396 Y405 C892 | L392-I894 HydrophobicContact CD1-CD1 4.26Å; L396-I894 HydrophobicContact CD2-CD1 3.57Å; L396-I894 HydrophobicContact CG-CD1 4.34Å; Y405-I894 WeakPolarHBondContact O-CA 3.34Å; C892-I894 PolarHBondContact O-N 2.94Å |
| 895 | I | 72.9 | Confident | 40.7 | Very low | 62 Ų | 62 | 106.6 Ų | 106.6 | 32% | 0.318 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 115.2 | 178.7 | -55.9 | 177.7 | 0 | 0 | 0 | 108.3 | T404 Y405 V406 S407 I432 | T404-I895 HydrophobicContact CG2-CD1 4.46Å; Y405-I895 PolarHBondContact O-N 3.47Å; V406-I895 WeakPolarHBondContact CA-O 3.5Å; V406-I895 HydrophobicContact CG1-CB 4.4Å; V406-I895 HydrophobicContact CG1-CG2 4.46Å; V406-I895 HydrophobicContact CG2-CB 4.31Å; V406-I895 HydrophobicContact CG2-CD1 4.43Å; S407-I895 PolarHBondContact N-O 2.92Å; I432-I895 HydrophobicContact CD1-CD1 3.68Å |
| 896 | A | 59 | Low | 40.8 | Very low | 77 Ų | 77 | 109.5 Ų | 109.5 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A898 | A896-A898 VanDerWaalsContact C-N 3.3Å; A896-A898 PolarHBondContact O-N 2.87Å |
| 897 | S | 47.1 | Very low | 40.7 | Very low | 39 Ų | 39 | 108.1 Ų | 108.1 | 27% | 0.273 | 62% | 0.623 | S | S | . | * | trans | -77 | 78.8 | 174.7 | 66.5 | 0 | 0 | 0 | 0 | 111 | S407 F408 | S407-S897 PolarHBondContact O-N 3.16Å; S407-S897 PolarHBondContact O-OG 3.14Å; F408-S897 WeakPolarHBondContact CD2-OG 3.48Å | ||
| 898 | A | 35.1 | Very low | 40.3 | Very low | 78 Ų | 78 | 107.1 Ų | 107.1 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | trans | -70.5 | 137.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A896 R900 | A896-A898 VanDerWaalsContact C-N 3.3Å; A896-A898 PolarHBondContact O-N 2.87Å; A898-R900 PolarHBondContact O-N 3.41Å | ||
| 899 | P | 31.5 | Very low | 39.6 | Very low | 95 Ų | 95 | 106.2 Ų | 106.2 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | trans | -68.6 | 115.2 | 179.9 | 27.2 | -33.7 | 0 | 0 | 0 | 110.7 | L901 | P899-L901 PolarHBondContact O-N 2.76Å; P899-L901 VanDerWaalsContact O-N 3.14Å | ||
| 900 | R | 29.4 | Very low | 39.1 | Very low | 252 Ų | 252 | 109 Ų | 109 | 95% | 0.951 | 65% | 0.652 | S | S | * | * | trans | -67.3 | 111.3 | 173 | -70.3 | -171.5 | 179.5 | -171.9 | 1.3 | 109.7 | A898 G902 | A898-R900 PolarHBondContact O-N 3.41Å; R900-G902 PolarHBondContact O-N 3.39Å; R900-G902 VanDerWaalsContact O-N 3.12Å | ||
| 901 | L | 28.4 | Very low | 38.3 | Very low | 178 Ų | 178 | 109.3 Ų | 109.3 | 93% | 0.932 | 65% | 0.652 | S | S | * | * | trans | -65.7 | 107.8 | 173.3 | -90.4 | 160.2 | 0 | 0 | 0 | 110.8 | P899 | P899-L901 PolarHBondContact O-N 2.76Å; P899-L901 VanDerWaalsContact O-N 3.14Å | ||
| 902 | G | 29.1 | Very low | 37.2 | Very low | 77 Ų | 77 | 114.1 Ų | 114.1 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | 52.9 | 95.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | R900 | R900-G902 PolarHBondContact O-N 3.39Å; R900-G902 VanDerWaalsContact O-N 3.12Å | ||
| 903 | S | 25.5 | Very low | 35.8 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | -129 | 124.2 | 146.4 | -170 | 0 | 0 | 0 | 0 | 109.5 | S905 | S903-S905 PolarHBondContact O-N 2.58Š| ||
| 904 | R | 28 | Very low | 33.9 | Very low | 229 Ų | 229 | 122 Ų | 122 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | -88.6 | 101.6 | -179.8 | -85.9 | -179.7 | 165.6 | 177.5 | -3.9 | 109.8 | Q906 | R904-Q906 PolarHBondContact O-N 2.87Š| ||
| 905 | S | 26.7 | Very low | 31.7 | Very low | 124 Ų | 124 | 126 Ų | 126 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -77.2 | 91.8 | 161.3 | 38.6 | 0 | 0 | 0 | 0 | 110 | S903 | S903-S905 PolarHBondContact O-N 2.58Š| ||
| 906 | Q | 27.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -83 | 119.8 | 164.8 | -78.5 | -173.2 | -36.4 | 0 | 0 | 109.8 | R904 | R904-Q906 PolarHBondContact O-N 2.87Š| ||
| 907 | S | 25.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -78.3 | 124.7 | 169.5 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 908 | L | 24.3 | Very low | 27 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -126.9 | 142.5 | 165.8 | -76.6 | 174.7 | 0 | 0 | 0 | 110.1 | ||||
| 909 | S | 22.8 | Very low | 26.6 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -99.1 | 127.3 | -172.9 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 910 | S | 27.5 | Very low | 26.4 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 26.6 | 117.6 | 145.9 | 60.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 911 | T | 25.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -151.7 | 154.3 | 133.9 | 24.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 912 | D | 26.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 152.5 | -172.2 | -50 | -93 | 0 | 0 | 0 | 114.8 | ||||
| 913 | S | 23.8 | Very low | 26.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 171 | 146.1 | 113.5 | -75.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 914 | S | 24.3 | Very low | 26.2 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 45.4 | 98.7 | 149 | 61.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 915 | I | 26.5 | Very low | 26.4 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | 21.4 | 121.2 | 121.3 | -57 | 167.3 | 0 | 0 | 0 | 117.5 | |||||
| 916 | H | 23.8 | Very low | 26.5 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | -157.9 | 134.2 | 123.3 | -119 | -77.7 | 0 | 0 | 0 | 112.7 | |||||
| 917 | A | 25.3 | Very low | 26.6 | Very low | 76 Ų | 76 | 125.3 Ų | 125.3 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | trans | -97.3 | 161.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 918 | P | 29.6 | Very low | 26.8 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | -142.4 | 144.9 | 99.6 | 36.7 | -22.7 | 0 | 0 | 0 | 116.3 | |||||
| 919 | S | 27.8 | Very low | 27.2 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | 24 | 146.6 | 113.1 | -52.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 920 | E | 27.5 | Very low | 27.6 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -173.1 | 169.3 | 4.2 | -120 | 174.5 | 138.7 | 0 | 0 | 113.3 | ||||
| 921 | I | 26.8 | Very low | 27.7 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 64% | 0.641 | 77% | 0.773 | S | S | * | * | trans | 64.9 | 127.5 | 147.9 | -68.7 | 161.4 | 0 | 0 | 0 | 117.3 | ||||
| 922 | T | 25 | Very low | 27.9 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | -163.4 | 118 | 62.5 | -36.6 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 923 | V | 27.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | 70.9 | 113 | 71.3 | 177.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 924 | A | 27.9 | Very low | 28.3 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -168.7 | 117.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 925 | H | 31.9 | Very low | 28.4 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | 4.9 | 149 | 154.6 | -54.8 | -77.9 | 0 | 0 | 0 | 122.1 | ||||
| 926 | G | 28.8 | Very low | 29.6 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | cis | 163.7 | -174.6 | 6.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 927 | S | 30.3 | Very low | 30 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | cis | -165.6 | 178.4 | -10.3 | 68 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 928 | G | 29.5 | Very low | 30.2 | Very low | 57 Ų | 57 | 126.9 Ų | 126.9 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | cis | 174.1 | 178.7 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 929 | L | 32.5 | Very low | 30.1 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 97% | 0.974 | 76% | 0.76 | S | S | * | * | trans | 66.1 | 138.7 | 177.3 | -66.2 | 86.2 | 0 | 0 | 0 | 118.3 | ||||
| 930 | G | 30.6 | Very low | 30.2 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 164.4 | 156.5 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 931 | K | 31.4 | Very low | 31.2 | Very low | 223 Ų | 223 | 129.5 Ų | 129.5 | 97% | 0.97 | 77% | 0.767 | S | S | * | * | trans | 70.2 | 145 | 169.2 | -53.3 | -179.2 | 179.2 | -177.7 | 0 | 118.1 | ||||
| 932 | G | 29.2 | Very low | 31.3 | Very low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | 156.9 | 145 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 933 | Q | 30.8 | Very low | 31.5 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 66.2 | 155.2 | 159.3 | -70.3 | 169.5 | -77.1 | 0 | 0 | 117.9 | ||||
| 934 | E | 26.6 | Very low | 31.5 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | cis | -152.8 | -156.1 | -6.8 | -133.1 | 156.5 | -143.4 | 0 | 0 | 113.6 | ||||
| 935 | S | 27 | Very low | 31.5 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -144.8 | -146.2 | -172.4 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 936 | P | 51.3 | Low | 31.5 | Very low | 97 Ų | 97 | 128 Ų | 128 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | cis | -144.7 | 176.7 | -6.5 | 45.9 | -27.7 | 0 | 0 | 0 | 118.6 | ||||
| 937 | L | 31.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 67.2 | 158.9 | 149.5 | -68.4 | 158.8 | 0 | 0 | 0 | 120.4 | ||||
| 938 | K | 31.3 | Very low | 31.3 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | cis | -173.9 | 159.7 | -23.3 | -168.2 | -179.1 | -115.1 | 168 | 0 | 111.7 | ||||
| 939 | K | 27.7 | Very low | 31.2 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | 113 | 161.2 | 154.1 | -63.9 | -172.8 | 177.9 | -179.7 | 0 | 118.7 | ||||
| 940 | S | 30 | Very low | 31 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -141.6 | -174 | -165.3 | 65.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 941 | P | 47.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -150.1 | -168.9 | 30.9 | 45.3 | -22.7 | 0 | 0 | 0 | 119.4 | ||||
| 942 | S | 28.9 | Very low | 30.6 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 78.1 | 106.4 | 149.9 | 62.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 943 | A | 30.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 67.3 | 117.3 | 131.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 944 | G | 26.2 | Very low | 31.1 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 170.9 | 104.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 945 | N | 29.5 | Very low | 31.7 | Very low | 168 Ų | 168 | 135 Ų | 135 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | 57.9 | 150.7 | 164.7 | -64.1 | -17.5 | 0 | 0 | 0 | 120.1 | ||||
| 946 | I | 32 | Very low | 32 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -98.2 | 109.2 | -174.4 | -61.3 | 171.8 | 0 | 0 | 0 | 110.3 | ||||
| 947 | H | 26.2 | Very low | 31.4 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -135.1 | 118.9 | 156.4 | -94 | -87.8 | 0 | 0 | 0 | 107.4 | ||||
| 948 | I | 28.1 | Very low | 31.7 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 134.9 | 178.9 | -65.8 | 179.9 | 0 | 0 | 0 | 109.4 | ||
| 949 | L | 26.5 | Very low | 32.1 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 137.9 | -175.3 | -87.8 | 64.8 | 0 | 0 | 0 | 112.7 | ||
| 950 | T | 28.2 | Very low | 32.6 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132 | 146.5 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 951 | G | 26.9 | Very low | 33.1 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | trans | -154.5 | 145.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 952 | F | 28.3 | Very low | 32.6 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 94% | 0.939 | 75% | 0.748 | S | S | * | * | trans | 71 | 122 | 160.1 | -58.3 | -77.2 | 0 | 0 | 0 | 119.4 | ||||
| 953 | A | 31.3 | Very low | 33.1 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -68.5 | 161.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 954 | K | 38.8 | Very low | 33.8 | Very low | 169 Ų | 169 | 137 Ų | 137 | 74% | 0.735 | 72% | 0.724 | S | S | * | * | trans | -89.2 | 157.6 | -170.8 | -66.7 | 178.7 | 179.1 | 177.4 | 0 | 112.3 | M956 | K954-M956 PolarHBondContact O-N 3.33Š| ||
| 955 | P | 37.6 | Very low | 34.3 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 5.9 | -173 | -23.1 | 35.5 | 0 | 0 | 0 | 117.9 | ||
| 956 | M | 34.4 | Very low | 34.7 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -76.5 | -36.2 | -175.4 | -75.4 | -177.6 | 167.9 | 0 | 0 | 113.6 | K954 I958 Y959 C960 | K954-M956 PolarHBondContact O-N 3.33Å; M956-I958 VanDerWaalsContact C-N 3.27Å; M956-I958 PolarHBondContact O-N 2.93Å; M956-Y959 PolarHBondContact O-N 2.99Å; M956-Y959 VanDerWaalsContact O-N 3.11Å; M956-C960 PolarHBondContact O-N 3.48Å; M956-C960 PolarHBondContact O-SG 2.85Å; M956-C960 VanDerWaalsContact O-SG 3.42Å |
| 957 | D | 38.7 | Very low | 35.1 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -65.9 | -32.3 | -171.4 | -55.1 | -40.2 | 0 | 0 | 0 | 112.3 | Y959 H961 | D957-Y959 VanDerWaalsContact C-N 3.34Å; D957-Y959 PolarHBondContact O-N 2.85Å; D957-H961 PolarHBondContact O-N 3.21Å |
| 958 | I | 38.4 | Very low | 35.6 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.2 | -32.7 | 177.9 | -60.5 | 176.2 | 0 | 0 | 0 | 111.4 | M956 R962 | M956-I958 VanDerWaalsContact C-N 3.27Å; M956-I958 PolarHBondContact O-N 2.93Å; I958-R962 PolarHBondContact O-N 3.25Å |
| 959 | Y | 38.1 | Very low | 35.8 | Very low | 193 Ų | 193 | 128.8 Ų | 128.8 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.6 | -40.5 | -179.7 | -143.4 | -82.9 | 0 | 0 | 0 | 111.5 | M956 D957 R962 F963 | M956-Y959 PolarHBondContact O-N 2.99Å; M956-Y959 VanDerWaalsContact O-N 3.11Å; D957-Y959 VanDerWaalsContact C-N 3.34Å; D957-Y959 PolarHBondContact O-N 2.85Å; Y959-R962 PolarHBondContact O-N 2.91Å; Y959-F963 PolarHBondContact O-N 3.37Å |
| 960 | C | 38.9 | Very low | 36.3 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64 | -43.7 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | M956 R962 V964 | M956-C960 PolarHBondContact O-N 3.48Å; M956-C960 PolarHBondContact O-SG 2.85Å; M956-C960 VanDerWaalsContact O-SG 3.42Å; C960-R962 VanDerWaalsContact C-N 3.33Å; C960-R962 PolarHBondContact O-N 3.29Å; C960-V964 PolarHBondContact O-N 3.17Å |
| 961 | H | 39.9 | Very low | 36.5 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.2 | -39.1 | 175.9 | -95.3 | -73.4 | 0 | 0 | 0 | 113 | D957 V964 Q965 | D957-H961 PolarHBondContact O-N 3.21Å; H961-V964 PolarHBondContact O-N 2.98Å; H961-Q965 WeakPolarHBondContact O-CB 3.27Å; H961-Q965 PolarHBondContact O-N 3.31Å; H961-Q965 VanDerWaalsContact O-N 3.14Å |
| 962 | R | 37.5 | Very low | 36.5 | Very low | 173 Ų | 173 | 133 Ų | 133 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.4 | -40.2 | -176.5 | -152.8 | 168.5 | -167.7 | 154.5 | 2.9 | 112.4 | I958 Y959 C960 V964 Q965 D966 | I958-R962 PolarHBondContact O-N 3.25Å; Y959-R962 PolarHBondContact O-N 2.91Å; C960-R962 VanDerWaalsContact C-N 3.33Å; C960-R962 PolarHBondContact O-N 3.29Å; R962-V964 PolarHBondContact O-N 2.86Å; R962-Q965 PolarHBondContact O-N 2.9Å; R962-D966 PolarHBondContact O-N 2.94Å |
| 963 | F | 38.9 | Very low | 36.4 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 69% | 0.693 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.9 | -39.6 | 177 | -171.2 | -101.3 | 0 | 0 | 0 | 112.7 | Y959 Q965 A967 | Y959-F963 PolarHBondContact O-N 3.37Å; F963-Q965 VanDerWaalsContact C-N 3.33Å; F963-A967 WeakPolarHBondContact O-CB 3.31Å; F963-A967 PolarHBondContact O-N 2.89Å |
| 964 | V | 44.2 | Very low | 36.2 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 47% | 0.467 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -65.9 | -37.4 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | C960 H961 R962 A967 Q968 | C960-V964 PolarHBondContact O-N 3.17Å; H961-V964 PolarHBondContact O-N 2.98Å; R962-V964 PolarHBondContact O-N 2.86Å; V964-A967 PolarHBondContact O-N 2.98Å; V964-Q968 WeakPolarHBondContact O-CG 3.44Å; V964-Q968 PolarHBondContact O-N 3.39Å |
| 965 | Q | 37.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.4 | -39.9 | -178.1 | -156.4 | 166.2 | 27.2 | 0 | 0 | 112.5 | H961 R962 F963 A967 Q968 N969 | H961-Q965 WeakPolarHBondContact O-CB 3.27Å; H961-Q965 PolarHBondContact O-N 3.31Å; H961-Q965 VanDerWaalsContact O-N 3.14Å; R962-Q965 PolarHBondContact O-N 2.9Å; F963-Q965 VanDerWaalsContact C-N 3.33Å; Q965-A967 VanDerWaalsContact C-N 3.35Å; Q965-Q968 PolarHBondContact O-N 3.34Å; Q965-N969 PolarHBondContact O-N 3Å; Q965-N969 PolarHBondContact O-ND2 3.38Å |
| 966 | D | 38 | Very low | 35.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.7 | -32.3 | 174.4 | -74.2 | -22.4 | 0 | 0 | 0 | 112.4 | R962 Q968 | R962-D966 PolarHBondContact O-N 2.94Å; D966-Q968 VanDerWaalsContact C-N 3.31Å; D966-Q968 PolarHBondContact O-N 3.26Å |
| 967 | A | 39.8 | Very low | 35.2 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.1 | -29.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F963 V964 Q965 | F963-A967 WeakPolarHBondContact O-CB 3.31Å; F963-A967 PolarHBondContact O-N 2.89Å; V964-A967 PolarHBondContact O-N 2.98Å; Q965-A967 VanDerWaalsContact C-N 3.35Å |
| 968 | Q | 36.6 | Very low | 34.5 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -81.5 | -29.5 | 179.4 | -72.3 | 173.5 | -10.3 | 0 | 0 | 112.9 | V964 Q965 D966 K970 | V964-Q968 WeakPolarHBondContact O-CG 3.44Å; V964-Q968 PolarHBondContact O-N 3.39Å; Q965-Q968 PolarHBondContact O-N 3.34Å; D966-Q968 VanDerWaalsContact C-N 3.31Å; D966-Q968 PolarHBondContact O-N 3.26Å; Q968-K970 PolarHBondContact O-N 3.06Å |
| 969 | N | 34 | Very low | 33.8 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 12.5 | -174.1 | -79.4 | -32 | 0 | 0 | 0 | 115.9 | Q965 | Q965-N969 PolarHBondContact O-N 3Å; Q965-N969 PolarHBondContact O-ND2 3.38Å |
| 970 | K | 35.1 | Very low | 33 | Very low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 12.2 | 176.9 | -115.4 | -179.3 | -177.6 | 179.6 | 0 | 115.9 | Q968 | Q968-K970 PolarHBondContact O-N 3.06Š|
| 971 | V | 32.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -133.5 | 107.3 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 972 | T | 26.9 | Very low | 31.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | 159.2 | 110.2 | 139.1 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 973 | H | 26 | Very low | 31.2 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | trans | 173.5 | 136.7 | 160.1 | -91.2 | -75.3 | 0 | 0 | 0 | 105.7 | ||||
| 974 | L | 28 | Very low | 30.5 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | cis | -155.6 | 154.9 | -15.9 | -81.5 | 174 | 0 | 0 | 0 | 105.9 | ||||
| 975 | S | 25.5 | Very low | 29.6 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | -159.2 | -179.7 | -12.6 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 976 | E | 28.4 | Very low | 29.1 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 170.6 | 160.6 | -100 | -170.7 | -159.5 | 0 | 0 | 112.6 | ||||
| 977 | P | 35.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | cis | -150.5 | 163 | 35.3 | 43.1 | -22 | 0 | 0 | 0 | 121.9 | ||||
| 978 | R | 23.3 | Very low | 27.8 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | 55.8 | 98.1 | 137.7 | -69.8 | -178.7 | -178.8 | -173.4 | -0.7 | 124.4 | ||||
| 979 | S | 23.6 | Very low | 27.4 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 71.2 | 133.2 | 104.4 | 79.1 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 980 | V | 23.1 | Very low | 27 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 85.8 | 107.6 | 150.8 | -164.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 981 | S | 24.6 | Very low | 26.5 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | -175.4 | 127.1 | 124.1 | 18.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 982 | Q | 27.4 | Very low | 26.2 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 46.7 | 114.5 | 90.1 | -62.7 | -170.6 | -8.5 | 0 | 0 | 112.6 | |||||
| 983 | Q | 25.7 | Very low | 26.2 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | -165.7 | 165.8 | 58 | -81 | 176.9 | -15.1 | 0 | 0 | 109.6 | |||||
| 984 | A | 25.3 | Very low | 26.1 | Very low | 82 Ų | 82 | 147 Ų | 147 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | -163.8 | -178.6 | -14.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 985 | S | 25.2 | Very low | 26 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 2.7 | 146.2 | 152 | 54.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 986 | Q | 26.8 | Very low | 25.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -165.1 | 169.9 | 9.1 | -123.8 | 167.6 | -68.6 | 0 | 0 | 112.9 | ||||
| 987 | E | 25.7 | Very low | 25.8 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 62% | 0.621 | 75% | 0.747 | S | S | * | * | trans | 7.6 | 155 | 141.7 | -70.2 | -177.2 | 111.7 | 0 | 0 | 122.5 | ||||
| 988 | R | 25.1 | Very low | 25.3 | Very low | 212 Ų | 212 | 146.7 Ų | 146.7 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | cis | -174.4 | 157.1 | -12.4 | 180 | 172.9 | -168.1 | 163.8 | -0.3 | 109.8 | ||||
| 989 | N | 28.1 | Very low | 25.4 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -60.9 | 141.6 | -177.3 | -55.4 | -12.3 | 0 | 0 | 0 | 115.8 | ||||
| 990 | Q | 25 | Very low | 25.3 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -168.1 | 166.1 | 143.9 | -109 | 169.4 | 19 | 0 | 0 | 110.5 | ||||
| 991 | M | 25.4 | Very low | 25.4 | Very low | 158 Ų | 158 | 147 Ų | 147 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | -179 | 138.8 | -74.7 | 171.5 | 164.5 | 170.6 | 0 | 0 | 110.2 | |||||
| 992 | T | 25.3 | Very low | 25.3 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | trans | 70.7 | 142.8 | 163.8 | 40.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 993 | R | 26.2 | Very low | 25.3 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 73.3 | 152.4 | 154.9 | -72.2 | 158.7 | 174.6 | -113.9 | 6.5 | 116.9 | ||||
| 994 | E | 25.2 | Very low | 25.3 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | cis | -150.3 | 133.1 | 3.9 | -127.5 | 140.4 | -135.3 | 0 | 0 | 108.2 | ||||
| 995 | V | 25.3 | Very low | 25.7 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | 93.6 | 128.7 | 95.3 | 160 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 996 | S | 24 | Very low | 25.8 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 42 | 123.6 | 158.1 | 69.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 997 | N | 26 | Very low | 26 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -179.5 | 143.5 | 109.4 | -84.7 | 4.5 | 0 | 0 | 0 | 108.2 | |||||
| 998 | E | 25 | Very low | 26.5 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 55.1 | 129.8 | 68.1 | -77.4 | -176.4 | -167 | 0 | 0 | 113.7 | |||||
| 999 | E | 25.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | cis | -165 | -172.5 | -15.2 | -143.3 | -170.2 | -161.1 | 0 | 0 | 109.4 | ||||
| 1000 | T | 23 | Very low | 27.7 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | trans | 64.6 | 123.3 | 159.3 | 38.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1001 | Q | 23.8 | Very low | 27.8 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | 68.7 | 152 | 133.9 | -71.1 | 175.1 | 16.9 | 0 | 0 | 120 | ||||
| 1002 | S | 23.5 | Very low | 29.1 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | cis | -148.9 | 175.3 | -2.1 | 61.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1003 | E | 25.9 | Very low | 29.5 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -68 | 174.5 | 155.3 | -45.1 | 168.4 | 108.5 | 0 | 0 | 109.8 | ||||
| 1004 | S | 27.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -160.4 | 157.2 | 7.9 | 56.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1005 | T | 33.3 | Very low | 29.7 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 18.5 | 130.1 | 144.5 | -43.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1006 | E | 25.6 | Very low | 29.6 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -153.9 | 175.5 | 151.4 | -138 | 174.3 | -149.1 | 0 | 0 | 113.6 | ||||
| 1007 | Q | 32.6 | Very low | 29.7 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -132.3 | 115.7 | -165.2 | -74.4 | -172.1 | -16.7 | 0 | 0 | 117.6 | ||||
| 1008 | T | 34.8 | Very low | 29.8 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 64.5 | 176.7 | 144.8 | 74.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1009 | P | 47.7 | Very low | 29.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -136.9 | 159.4 | -9.8 | 39 | -21 | 0 | 0 | 0 | 119.1 | ||||
| 1010 | S | 30.5 | Very low | 30.2 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 67.9 | 136.3 | 141.9 | 71.3 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1011 | R | 28.5 | Very low | 30.4 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -174.6 | 169.5 | 138.4 | -101.8 | -145.3 | 141.5 | 169.4 | -6.1 | 114 | ||||
| 1012 | P | 53.3 | Low | 30.5 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -143.5 | -162.7 | -140.1 | 47.6 | -29.2 | 0 | 0 | 0 | 119.7 | ||||
| 1013 | S | 33 | Very low | 30.5 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 88.8 | 154.3 | 164.2 | 78.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1014 | Q | 28.1 | Very low | 31.7 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | cis | -126.5 | -142.5 | 12.4 | -62.3 | 177.6 | -80.5 | 0 | 0 | 115.1 | ||||
| 1015 | L | 26.2 | Very low | 31.6 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | -161.4 | 142.7 | -129 | -161.4 | 177.7 | 0 | 0 | 0 | 113.3 | |||||
| 1016 | D | 23.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -170.1 | 140.3 | 141.3 | -108.3 | -25.6 | 0 | 0 | 0 | 118.2 | ||||
| 1017 | V | 27.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | 7.7 | 141.9 | 148.5 | 171.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1018 | S | 26.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -169.3 | -149.7 | -9.8 | 54.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1019 | L | 28.1 | Very low | 30 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | cis | -167.2 | 127 | 5.8 | -136.6 | 176.4 | 0 | 0 | 0 | 113.3 | ||||
| 1020 | S | 30.2 | Very low | 28.9 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 60.6 | 151.4 | 156.2 | 75.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1021 | A | 27.9 | Very low | 29.2 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -152.7 | 146 | 7.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1022 | T | 26.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | 56.7 | 133.6 | 144.2 | 51 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 1023 | G | 23 | Very low | 27.5 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -127.6 | -142.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1024 | P | 51.6 | Low | 27.1 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -136.8 | -167.8 | -20 | 42.2 | -23.5 | 0 | 0 | 0 | 113.6 | ||||
| 1025 | Q | 25.5 | Very low | 26.9 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 157.2 | -166.3 | 141 | -82.5 | -167.1 | -7 | 0 | 0 | 115.9 | ||||
| 1026 | F | 25.4 | Very low | 26.8 | Very low | 193 Ų | 193 | 126.8 Ų | 126.8 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -129.6 | 162.6 | -143.4 | -90.9 | -93 | 0 | 0 | 0 | 117.3 | ||||
| 1027 | L | 22.6 | Very low | 26.8 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 76.7 | 114.5 | 144.4 | -80.8 | 164.6 | 0 | 0 | 0 | 124.1 | ||||
| 1028 | S | 23 | Very low | 26.7 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 46.7 | 139.3 | 131.8 | 66 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1029 | V | 22.5 | Very low | 26.5 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | 170.1 | 145.6 | 124.4 | 149.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 1030 | E | 23.9 | Very low | 26.2 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -85.5 | -177.9 | 171 | -82.6 | -164.1 | 134.4 | 0 | 0 | 111.8 | ||||
| 1031 | P | 35.8 | Very low | 26.5 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | cis | -148.8 | -165.4 | 18.3 | 41.3 | -17.2 | 0 | 0 | 0 | 118 | ||||
| 1032 | A | 23.3 | Very low | 26.2 | Very low | 70 Ų | 70 | 129 Ų | 129 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | 90.2 | 116.3 | 134.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1033 | H | 24.6 | Very low | 26.1 | Very low | 182 Ų | 182 | 127.7 Ų | 127.7 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 65.9 | 159.7 | 132.3 | -60.5 | -36.9 | 0 | 0 | 0 | 121.4 | ||||
| 1034 | S | 23.9 | Very low | 26.1 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | cis | -174.4 | 179 | -31.1 | 62 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1035 | V | 23.8 | Very low | 24.8 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | 74.9 | 147.2 | 165.5 | 177.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1036 | A | 23.6 | Very low | 24.7 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | cis | -175.7 | 174.6 | -35.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1037 | S | 23.6 | Very low | 24.5 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 74.3 | 145 | 142.2 | 174.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1038 | Q | 24.8 | Very low | 24.6 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -165.5 | 154.8 | -8.7 | -107.2 | 171.7 | 67.7 | 0 | 0 | 112.8 | ||||
| 1039 | K | 22.8 | Very low | 24.6 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 60.8 | 117.7 | 141 | -68.8 | 172.1 | -179.2 | 159 | 0 | 124.7 | ||||
| 1040 | T | 23.3 | Very low | 24.7 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | 11.4 | 154 | 110.6 | 57.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1041 | P | 35.2 | Very low | 24.6 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | cis | -140.4 | -148.9 | 35 | 44 | -22.4 | 0 | 0 | 0 | 113.4 | ||||
| 1042 | S | 22.7 | Very low | 24 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | cis | -157.4 | 141.6 | 2.8 | 47.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1043 | S | 24 | Very low | 24 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -20.2 | 142.7 | 155.7 | 55.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1044 | A | 23.2 | Very low | 24.1 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | trans | 177.9 | 119.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1045 | S | 23 | Very low | 24.2 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | 60.3 | 137.9 | 84.4 | 70.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1046 | S | 22.8 | Very low | 24.2 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | cis | -158.1 | -172 | 13.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1047 | M | 22.7 | Very low | 24.1 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | trans | -82.9 | 171.8 | -173.5 | -63.9 | 166.3 | 51.9 | 0 | 0 | 117.1 | ||||
| 1048 | L | 23.3 | Very low | 25 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 140.7 | 159.5 | 140.6 | -75.2 | 165.6 | 0 | 0 | 0 | 111.6 | ||||
| 1049 | E | 23.8 | Very low | 24.9 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -172.1 | 146.9 | -45.6 | -129.4 | -179.8 | -164.7 | 0 | 0 | 109.7 | ||||
| 1050 | L | 24 | Very low | 25.9 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 59.2 | 169.5 | 157.5 | -101.5 | 58.9 | 0 | 0 | 0 | 119.7 | ||||
| 1051 | E | 23.1 | Very low | 25.9 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | -152.6 | 179.9 | 2.7 | -147.8 | 160.6 | -154.2 | 0 | 0 | 113.9 | ||||
| 1052 | T | 23.2 | Very low | 25.5 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -20.5 | 165.6 | 172.8 | 50.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1053 | G | 23.6 | Very low | 25.6 | Very low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | 174.5 | -153.1 | 12.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1054 | L | 26.1 | Very low | 25.7 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | cis | -172.8 | 115.8 | -9.2 | -162.4 | 148.4 | 0 | 0 | 0 | 113.5 | ||||
| 1055 | H | 25.4 | Very low | 25.9 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | 63.2 | 167.5 | 167.4 | -69.4 | -116.5 | 0 | 0 | 0 | 119.5 | ||||
| 1056 | V | 24.2 | Very low | 26.2 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | cis | -146.4 | 170.7 | 29.4 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1057 | T | 21.6 | Very low | 26.6 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -142.8 | -169 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1058 | P | 41.5 | Very low | 27 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | cis | -144.7 | -174 | -0.6 | 44.4 | -24.4 | 0 | 0 | 0 | 118.6 | ||||
| 1059 | S | 24.2 | Very low | 27.4 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 74.4 | 165 | 145.5 | 76.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1060 | P | 42.1 | Very low | 27.9 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -140 | 165.1 | -45.1 | 37.8 | -21.7 | 0 | 0 | 0 | 115.9 | ||||
| 1061 | S | 24.7 | Very low | 28.4 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | 178.5 | 166.8 | 140.7 | 34.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1062 | E | 26 | Very low | 29.3 | Very low | 186 Ų | 186 | 117.2 Ų | 117.2 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | -79.5 | -173.6 | -167.5 | -58.2 | 172.9 | 167 | 0 | 0 | 116.1 | ||||
| 1063 | S | 26 | Very low | 30.1 | Very low | 107 Ų | 107 | 113.8 Ų | 113.8 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | -170 | 148.4 | -57 | 74.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1064 | S | 24.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | trans | -170.7 | 140.5 | 149 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1065 | S | 28.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | trans | -141.7 | 157.7 | -176.1 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1066 | S | 27.7 | Very low | 32 | Very low | 117 Ų | 117 | 110.2 Ų | 110.2 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | trans | -123.6 | 137.5 | 176.2 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | A1068 | S1066-A1068 PolarHBondContact O-N 3.41Š| ||
| 1067 | R | 31.3 | Very low | 32.7 | Very low | 254 Ų | 254 | 106.9 Ų | 106.9 | 96% | 0.958 | 64% | 0.637 | S | S | * | * | trans | -74.3 | 116.7 | -163.2 | -122.3 | 174.3 | 178.2 | 165.1 | -1.4 | 112.5 | ||||
| 1068 | A | 32 | Very low | 33.5 | Very low | 93 Ų | 93 | 104 Ų | 104 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | trans | -82.6 | 163.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1066 | S1066-A1068 PolarHBondContact O-N 3.41Š| ||
| 1069 | V | 31.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 103.1 Ų | 103.1 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | trans | -98 | 115.8 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | A1073 | V1069-A1073 HydrophobicContact CG1-CB 4.1Š| ||
| 1070 | S | 34.3 | Very low | 34.2 | Very low | 27 Ų | 27 | 102.6 Ų | 102.6 | 19% | 0.189 | 60% | 0.602 | C | S | . | * | trans | -55.2 | 141.9 | -178.8 | 171.3 | 0 | 0 | 0 | 0 | 113.2 | D656 F1072 A1073 | D656-S1070 VanDerWaalsContact OD1-CB 3.25Å; D656-S1070 WeakPolarHBondContact OD1-CB 3.32Å; D656-S1070 PolarHBondContact OD1-OG 3.01Å; S1070-F1072 PolarHBondContact O-N 3.09Å; S1070-F1072 PolarHBondContact OG-N 2.92Å; S1070-A1073 WeakPolarHBondContact O-CB 3.4Å; S1070-A1073 PolarHBondContact O-N 2.84Å | ||
| 1071 | P | 35.3 | Very low | 33.9 | Very low | 53 Ų | 53 | 102.4 Ų | 102.4 | 34% | 0.344 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | -26.9 | 172.7 | -27.5 | 38.5 | 0 | 0 | 0 | 114.2 | D659 A1073 K1074 I1075 | D659-P1071 VanDerWaalsContact OD1-CD 3.3Å; D659-P1071 WeakPolarHBondContact OD1-CD 3.25Å; D659-P1071 VanDerWaalsContact OD1-CG 3.31Å; D659-P1071 WeakPolarHBondContact OD1-CG 3.24Å; P1071-A1073 PolarHBondContact O-N 3.2Å; P1071-K1074 WeakPolarHBondContact O-CB 3.27Å; P1071-K1074 PolarHBondContact O-N 3.11Å; P1071-I1075 PolarHBondContact O-N 3.04Å |
| 1072 | F | 40.4 | Very low | 34.5 | Very low | 19 Ų | 19 | 99.4 Ų | 99.4 | 8% | 0.083 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -57.3 | -32.7 | 177.2 | -101.2 | -116.4 | 0 | 0 | 0 | 112.7 | D639 Y654 S1070 K1074 I1075 R1076 | D639-F1072 WeakPolarHBondContact OD2-CD1 3.43Å; Y654-F1072 AromaticContact CD1-CD2 3.84Å; Y654-F1072 HydrophobicContact CD1-CD2 3.84Å; Y654-F1072 AromaticContact CD1-CE2 3.55Å; Y654-F1072 HydrophobicContact CD1-CE2 3.55Å; Y654-F1072 HydrophobicContact CD1-CZ 4.05Å; Y654-F1072 AromaticContact CD2-CE2 3.67Å; Y654-F1072 HydrophobicContact CD2-CE2 3.67Å; Y654-F1072 AromaticContact CD2-CZ 3.83Å; Y654-F1072 HydrophobicContact CD2-CZ 3.83Å; Y654-F1072 AromaticContact CE1-CD2 3.59Å; Y654-F1072 HydrophobicContact CE1-CD2 3.59Å; Y654-F1072 AromaticContact CE1-CE2 3.44Å; Y654-F1072 HydrophobicContact CE1-CE2 3.44Å; Y654-F1072 VanDerWaalsContact CE1-CE2 3.44Å; Y654-F1072 HydrophobicContact CE1-CZ 4.36Å; Y654-F1072 AromaticContact CE2-CE2 3.59Å; Y654-F1072 HydrophobicContact CE2-CE2 3.59Å; Y654-F1072 HydrophobicContact CE2-CZ 4.19Å; Y654-F1072 HydrophobicContact CG-CD2 4.38Å; Y654-F1072 AromaticContact CG-CE2 3.65Å; Y654-F1072 HydrophobicContact CG-CE2 3.65Å; Y654-F1072 AromaticContact CG-CZ 3.76Å; Y654-F1072 HydrophobicContact CG-CZ 3.76Å; Y654-F1072 AromaticContact CZ-CD2 3.96Å; Y654-F1072 AromaticContact CZ-CE2 3.45Å; Y654-F1072 VanDerWaalsContact CZ-CE2 3.45Å; S1070-F1072 PolarHBondContact O-N 3.09Å; S1070-F1072 PolarHBondContact OG-N 2.92Å; F1072-K1074 PolarHBondContact O-N 2.84Å; F1072-K1074 VanDerWaalsContact O-N 3.17Å; F1072-I1075 HydrophobicContact CD2-CD1 4.32Å; F1072-I1075 HydrophobicContact CE2-CD1 4.38Å; F1072-I1075 PolarHBondContact O-N 2.73Å; F1072-R1076 WeakPolarHBondContact O-CB 3.22Å; F1072-R1076 PolarHBondContact O-N 2.85Å |
| 1073 | A | 40.4 | Very low | 35 | Very low | 51 Ų | 51 | 93.6 Ų | 93.6 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.4 | -28.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1069 S1070 P1071 S1077 | V1069-A1073 HydrophobicContact CG1-CB 4.1Å; S1070-A1073 WeakPolarHBondContact O-CB 3.4Å; S1070-A1073 PolarHBondContact O-N 2.84Å; P1071-A1073 PolarHBondContact O-N 3.2Å; A1073-S1077 WeakPolarHBondContact O-CB 3.35Å; A1073-S1077 PolarHBondContact O-N 2.93Å |
| 1074 | K | 37 | Very low | 35.4 | Very low | 150 Ų | 150 | 91.1 Ų | 91.1 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -82.4 | -40.9 | 176.8 | -62.8 | 173.3 | -176.2 | 166.5 | 0 | 111.8 | P1071 F1072 S1077 S1078 | P1071-K1074 WeakPolarHBondContact O-CB 3.27Å; P1071-K1074 PolarHBondContact O-N 3.11Å; F1072-K1074 PolarHBondContact O-N 2.84Å; F1072-K1074 VanDerWaalsContact O-N 3.17Å; K1074-S1077 WeakPolarHBondContact O-CB 3.2Å; K1074-S1077 PolarHBondContact O-N 2.93Å; K1074-S1078 PolarHBondContact O-N 3.43Å; K1074-S1078 PolarHBondContact O-OG 3.44Å; K1074-S1078 VanDerWaalsContact O-OG 3.13Å |
| 1075 | I | 39.8 | Very low | 36 | Very low | 84 Ų | 84 | 89.8 Ų | 89.8 | 43% | 0.431 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 174.7 | -59.8 | 173.6 | 0 | 0 | 0 | 109.8 | P1071 F1072 S1077 S1078 M1079 | P1071-I1075 PolarHBondContact O-N 3.04Å; F1072-I1075 HydrophobicContact CD2-CD1 4.32Å; F1072-I1075 HydrophobicContact CE2-CD1 4.38Å; F1072-I1075 PolarHBondContact O-N 2.73Å; I1075-S1077 VanDerWaalsContact C-N 3.28Å; I1075-S1077 PolarHBondContact O-N 2.85Å; I1075-S1078 PolarHBondContact O-N 2.78Å; I1075-M1079 HydrophobicContact CG2-SD 4.29Å; I1075-M1079 PolarHBondContact O-N 2.93Å |
| 1076 | R | 39.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 88.1 Ų | 88.1 | 34% | 0.34 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -35.6 | 175.4 | -159.6 | -178.8 | -67.7 | -179.7 | -3.2 | 112 | D639 F1072 V1080 | D639-R1076 IonicContact OD1-CZ 2.74Å; D639-R1076 IonicContact OD1-NH2 2.76Å; D639-R1076 PolarHBondContact OD1-NH2 2.91Å; D639-R1076 IonicContact OD2-CZ 2.71Å; D639-R1076 IonicContact OD2-NH2 3.65Å; D639-R1076 PolarHBondContact OD2-NH2 2.95Å; F1072-R1076 WeakPolarHBondContact O-CB 3.22Å; F1072-R1076 PolarHBondContact O-N 2.85Å; R1076-V1080 VanDerWaalsContact O-CG2 3.28Å; R1076-V1080 WeakPolarHBondContact O-CG2 3.42Å; R1076-V1080 PolarHBondContact O-N 2.91Å |
| 1077 | S | 37.9 | Very low | 37 | Very low | 62 Ų | 62 | 89.1 Ų | 89.1 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 171.1 | -172 | 0 | 0 | 0 | 0 | 112.5 | A1073 K1074 I1075 V1080 Q1081 | A1073-S1077 WeakPolarHBondContact O-CB 3.35Å; A1073-S1077 PolarHBondContact O-N 2.93Å; K1074-S1077 WeakPolarHBondContact O-CB 3.2Å; K1074-S1077 PolarHBondContact O-N 2.93Å; I1075-S1077 VanDerWaalsContact C-N 3.28Å; I1075-S1077 PolarHBondContact O-N 2.85Å; S1077-V1080 PolarHBondContact O-N 2.68Å; S1077-Q1081 WeakPolarHBondContact O-CG 3.4Å; S1077-Q1081 PolarHBondContact O-N 3.5Å |
| 1078 | S | 39.2 | Very low | 37.4 | Very low | 65 Ų | 65 | 79.7 Ų | 79.7 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | -177.3 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | K1074 I1075 Q1081 V1082 | K1074-S1078 PolarHBondContact O-N 3.43Å; K1074-S1078 PolarHBondContact O-OG 3.44Å; K1074-S1078 VanDerWaalsContact O-OG 3.13Å; I1075-S1078 PolarHBondContact O-N 2.78Å; S1078-Q1081 PolarHBondContact O-N 3.12Å; S1078-V1082 WeakPolarHBondContact O-CG2 3.43Å; S1078-V1082 PolarHBondContact O-N 2.82Å |
| 1079 | M | 39.1 | Very low | 37.7 | Very low | 83 Ų | 83 | 77.3 Ų | 77.3 | 41% | 0.409 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 179.4 | -64.2 | -175.1 | 81.2 | 0 | 0 | 112 | I1075 Q1081 V1082 A1083 | I1075-M1079 HydrophobicContact CG2-SD 4.29Å; I1075-M1079 PolarHBondContact O-N 2.93Å; M1079-Q1081 VanDerWaalsContact C-N 3.34Å; M1079-V1082 PolarHBondContact O-N 2.69Å; M1079-A1083 WeakPolarHBondContact O-CB 3.45Å; M1079-A1083 PolarHBondContact O-N 3.03Å |
| 1080 | V | 40.3 | Very low | 38 | Very low | 95 Ų | 95 | 77 Ų | 77 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.3 | -35.5 | 172.3 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | R1076 S1077 S1084 | R1076-V1080 VanDerWaalsContact O-CG2 3.28Å; R1076-V1080 WeakPolarHBondContact O-CG2 3.42Å; R1076-V1080 PolarHBondContact O-N 2.91Å; S1077-V1080 PolarHBondContact O-N 2.68Å; V1080-S1084 WeakPolarHBondContact O-CB 3.46Å; V1080-S1084 PolarHBondContact O-N 2.68Å; V1080-S1084 PolarHBondContact O-OG 3.27Å |
| 1081 | Q | 34.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 171.2 | -75 | -175.7 | -86 | 0 | 0 | 112 | S1077 S1078 M1079 S1084 I1085 | S1077-Q1081 WeakPolarHBondContact O-CG 3.4Å; S1077-Q1081 PolarHBondContact O-N 3.5Å; S1078-Q1081 PolarHBondContact O-N 3.12Å; M1079-Q1081 VanDerWaalsContact C-N 3.34Å; Q1081-S1084 PolarHBondContact O-OG 2.81Å; Q1081-I1085 VanDerWaalsContact O-CB 3.24Å; Q1081-I1085 WeakPolarHBondContact O-CB 3.32Å; Q1081-I1085 WeakPolarHBondContact O-CD1 3.42Å; Q1081-I1085 WeakPolarHBondContact O-CG1 3.29Å; Q1081-I1085 PolarHBondContact O-N 3.44Å |
| 1082 | V | 37.6 | Very low | 38.5 | Very low | 65 Ų | 65 | 83.5 Ų | 83.5 | 39% | 0.394 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L603 S1078 M1079 S1084 I1085 T1086 | L603-V1082 HydrophobicContact CD1-CG2 3.95Å; S1078-V1082 WeakPolarHBondContact O-CG2 3.43Å; S1078-V1082 PolarHBondContact O-N 2.82Å; M1079-V1082 PolarHBondContact O-N 2.69Å; V1082-S1084 PolarHBondContact O-N 2.71Å; V1082-I1085 PolarHBondContact O-N 2.8Å; V1082-T1086 PolarHBondContact O-N 2.83Å; V1082-T1086 PolarHBondContact O-OG1 2.92Å; V1082-T1086 VanDerWaalsContact O-OG1 3.07Å |
| 1083 | A | 36.7 | Very low | 38.4 | Very low | 63 Ų | 63 | 84.5 Ų | 84.5 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1079 T1086 Q1087 | M1079-A1083 WeakPolarHBondContact O-CB 3.45Å; M1079-A1083 PolarHBondContact O-N 3.03Å; A1083-T1086 PolarHBondContact O-N 3.05Å; A1083-Q1087 WeakPolarHBondContact O-CB 3.28Å; A1083-Q1087 PolarHBondContact O-N 2.75Å |
| 1084 | S | 35.1 | Very low | 38.4 | Very low | 56 Ų | 56 | 85.9 Ų | 85.9 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.4 | -29.4 | 178.2 | 56 | 0 | 0 | 0 | 0 | 113.5 | V1080 Q1081 V1082 A1088 | V1080-S1084 WeakPolarHBondContact O-CB 3.46Å; V1080-S1084 PolarHBondContact O-N 2.68Å; V1080-S1084 PolarHBondContact O-OG 3.27Å; Q1081-S1084 PolarHBondContact O-OG 2.81Å; V1082-S1084 PolarHBondContact O-N 2.71Å; S1084-A1088 WeakPolarHBondContact O-CB 3.31Å; S1084-A1088 PolarHBondContact O-N 2.83Å |
| 1085 | I | 37.7 | Very low | 38.7 | Very low | 95 Ų | 95 | 83.2 Ų | 83.2 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 171.3 | -73.7 | 165.5 | 0 | 0 | 0 | 110.9 | Q1081 V1082 G1089 | Q1081-I1085 VanDerWaalsContact O-CB 3.24Å; Q1081-I1085 WeakPolarHBondContact O-CB 3.32Å; Q1081-I1085 WeakPolarHBondContact O-CD1 3.42Å; Q1081-I1085 WeakPolarHBondContact O-CG1 3.29Å; Q1081-I1085 PolarHBondContact O-N 3.44Å; V1082-I1085 PolarHBondContact O-N 2.8Å; I1085-G1089 WeakPolarHBondContact O-CA 3.25Å; I1085-G1089 PolarHBondContact O-N 2.94Å |
| 1086 | T | 37.7 | Very low | 38.7 | Very low | 94 Ų | 94 | 86 Ų | 86 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -45.1 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | V1082 A1083 G1089 L1090 | V1082-T1086 PolarHBondContact O-N 2.83Å; V1082-T1086 PolarHBondContact O-OG1 2.92Å; V1082-T1086 VanDerWaalsContact O-OG1 3.07Å; A1083-T1086 PolarHBondContact O-N 3.05Å; T1086-G1089 PolarHBondContact O-N 2.75Å; T1086-L1090 WeakPolarHBondContact O-CB 3.31Å; T1086-L1090 PolarHBondContact O-N 3.33Å |
| 1087 | Q | 38.2 | Very low | 38.7 | Very low | 139 Ų | 139 | 84.2 Ų | 84.2 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 177.1 | -167.9 | -177.6 | 25.2 | 0 | 0 | 112.2 | A1083 T1091 | A1083-Q1087 WeakPolarHBondContact O-CB 3.28Å; A1083-Q1087 PolarHBondContact O-N 2.75Å; Q1087-T1091 WeakPolarHBondContact O-CB 3.34Å; Q1087-T1091 PolarHBondContact O-N 2.8Å; Q1087-T1091 PolarHBondContact O-OG1 3.25Å |
| 1088 | A | 39.8 | Very low | 38.9 | Very low | 55 Ų | 55 | 83.5 Ų | 83.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1084 T1091 H1092 | S1084-A1088 WeakPolarHBondContact O-CB 3.31Å; S1084-A1088 PolarHBondContact O-N 2.83Å; A1088-T1091 PolarHBondContact O-N 2.82Å; A1088-H1092 WeakPolarHBondContact O-CB 3.44Å; A1088-H1092 PolarHBondContact O-N 3.22Å |
| 1089 | G | 38 | Very low | 39.1 | Very low | 44 Ų | 44 | 82.2 Ų | 82.2 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1085 T1086 H1092 G1093 | I1085-G1089 WeakPolarHBondContact O-CA 3.25Å; I1085-G1089 PolarHBondContact O-N 2.94Å; T1086-G1089 PolarHBondContact O-N 2.75Å; G1089-H1092 PolarHBondContact O-N 3.47Å; G1089-G1093 PolarHBondContact O-N 3.19Å |
| 1090 | L | 38.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 85 Ų | 85 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 172.1 | -172.1 | 69.7 | 0 | 0 | 0 | 110.8 | T1086 H1092 G1093 I1094 | T1086-L1090 WeakPolarHBondContact O-CB 3.31Å; T1086-L1090 PolarHBondContact O-N 3.33Å; L1090-H1092 VanDerWaalsContact C-N 3.35Å; L1090-H1092 PolarHBondContact O-N 3.26Å; L1090-G1093 PolarHBondContact O-N 2.95Å; L1090-I1094 HydrophobicContact CG-CD1 4.06Å; L1090-I1094 VanDerWaalsContact O-CG1 3.3Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.33Å; L1090-I1094 PolarHBondContact O-N 2.8Å |
| 1091 | T | 40 | Very low | 39.2 | Very low | 70 Ų | 70 | 86.1 Ų | 86.1 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 177 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | Q1087 A1088 N1095 | Q1087-T1091 WeakPolarHBondContact O-CB 3.34Å; Q1087-T1091 PolarHBondContact O-N 2.8Å; Q1087-T1091 PolarHBondContact O-OG1 3.25Å; A1088-T1091 PolarHBondContact O-N 2.82Å; T1091-N1095 WeakPolarHBondContact O-CB 3.38Å; T1091-N1095 PolarHBondContact O-N 3.43Å; T1091-N1095 PolarHBondContact O-ND2 3.24Å |
| 1092 | H | 40.7 | Very low | 39.7 | Very low | 147 Ų | 147 | 88.2 Ų | 88.2 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.6 | -38.9 | 174.4 | -123 | 76.1 | 0 | 0 | 0 | 111.8 | A1088 G1089 L1090 N1095 F1096 | A1088-H1092 WeakPolarHBondContact O-CB 3.44Å; A1088-H1092 PolarHBondContact O-N 3.22Å; G1089-H1092 PolarHBondContact O-N 3.47Å; L1090-H1092 VanDerWaalsContact C-N 3.35Å; L1090-H1092 PolarHBondContact O-N 3.26Å; H1092-N1095 PolarHBondContact O-N 3.01Å; H1092-F1096 WeakPolarHBondContact O-CB 3.41Å; H1092-F1096 PolarHBondContact O-N 3.17Å |
| 1093 | G | 37.6 | Very low | 39.8 | Very low | 41 Ų | 41 | 93.2 Ų | 93.2 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1089 L1090 F1096 A1097 | G1089-G1093 PolarHBondContact O-N 3.19Å; L1090-G1093 PolarHBondContact O-N 2.95Å; G1093-F1096 PolarHBondContact O-N 3.03Å; G1093-A1097 WeakPolarHBondContact O-CB 3.41Å; G1093-A1097 PolarHBondContact O-N 3.46Å |
| 1094 | I | 42 | Very low | 39.7 | Very low | 80 Ų | 80 | 94.6 Ų | 94.6 | 41% | 0.41 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 174.2 | -68.8 | 166.1 | 0 | 0 | 0 | 110.4 | L1090 F1096 A1097 V1098 | L1090-I1094 HydrophobicContact CG-CD1 4.06Å; L1090-I1094 VanDerWaalsContact O-CG1 3.3Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.33Å; L1090-I1094 PolarHBondContact O-N 2.8Å; I1094-F1096 VanDerWaalsContact C-N 3.3Å; I1094-F1096 PolarHBondContact O-N 3.4Å; I1094-A1097 PolarHBondContact O-N 2.96Å; I1094-V1098 WeakPolarHBondContact O-CG2 3.28Å; I1094-V1098 PolarHBondContact O-N 2.82Å |
| 1095 | N | 41.6 | Very low | 39.9 | Very low | 94 Ų | 94 | 97.7 Ų | 97.7 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 178.2 | -77.5 | -49.5 | 0 | 0 | 0 | 112.9 | T1091 H1092 A1099 | T1091-N1095 WeakPolarHBondContact O-CB 3.38Å; T1091-N1095 PolarHBondContact O-N 3.43Å; T1091-N1095 PolarHBondContact O-ND2 3.24Å; H1092-N1095 PolarHBondContact O-N 3.01Å; N1095-A1099 WeakPolarHBondContact O-CB 3.15Å; N1095-A1099 PolarHBondContact O-N 2.81Å |
| 1096 | F | 40.2 | Very low | 39.9 | Very low | 143 Ų | 143 | 98 Ų | 98 | 63% | 0.627 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.5 | -40.1 | 174.9 | -175.4 | -100 | 0 | 0 | 0 | 111.8 | H1092 G1093 I1094 A1099 K1100 | H1092-F1096 WeakPolarHBondContact O-CB 3.41Å; H1092-F1096 PolarHBondContact O-N 3.17Å; G1093-F1096 PolarHBondContact O-N 3.03Å; I1094-F1096 VanDerWaalsContact C-N 3.3Å; I1094-F1096 PolarHBondContact O-N 3.4Å; F1096-A1099 PolarHBondContact O-N 3.27Å; F1096-K1100 VanDerWaalsContact O-CB 3.29Å; F1096-K1100 WeakPolarHBondContact O-CB 3.38Å; F1096-K1100 PolarHBondContact O-N 3.33Å |
| 1097 | A | 40.2 | Very low | 39.7 | Very low | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.9 | -47.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1093 I1094 A1099 K1100 V1101 | G1093-A1097 WeakPolarHBondContact O-CB 3.41Å; G1093-A1097 PolarHBondContact O-N 3.46Å; I1094-A1097 PolarHBondContact O-N 2.96Å; A1097-A1099 PolarHBondContact O-N 3.26Å; A1097-K1100 PolarHBondContact O-N 2.77Å; A1097-V1101 WeakPolarHBondContact O-CG2 3.33Å; A1097-V1101 PolarHBondContact O-N 2.97Å |
| 1098 | V | 42.3 | Very low | 39.9 | Very low | 46 Ų | 46 | 101.7 Ų | 101.7 | 28% | 0.279 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.6 | -48.9 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | I1094 K1100 V1101 Q1102 | I1094-V1098 WeakPolarHBondContact O-CG2 3.28Å; I1094-V1098 PolarHBondContact O-N 2.82Å; V1098-K1100 VanDerWaalsContact C-N 3.27Å; V1098-K1100 PolarHBondContact O-N 2.99Å; V1098-V1101 PolarHBondContact O-N 3.31Å; V1098-Q1102 HydrophobicContact CG1-CG 4.43Å; V1098-Q1102 WeakPolarHBondContact O-CB 3.39Å; V1098-Q1102 VanDerWaalsContact O-CG 3.3Å; V1098-Q1102 WeakPolarHBondContact O-CG 3.49Å; V1098-Q1102 PolarHBondContact O-N 2.81Å |
| 1099 | A | 43.5 | Very low | 39.8 | Very low | 38 Ų | 38 | 107.4 Ų | 107.4 | 31% | 0.314 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.6 | -26.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1095 F1096 A1097 K1103 | N1095-A1099 WeakPolarHBondContact O-CB 3.15Å; N1095-A1099 PolarHBondContact O-N 2.81Å; F1096-A1099 PolarHBondContact O-N 3.27Å; A1097-A1099 PolarHBondContact O-N 3.26Å; A1099-K1103 VanDerWaalsContact O-CB 3.28Å; A1099-K1103 WeakPolarHBondContact O-CB 3.23Å; A1099-K1103 VanDerWaalsContact O-CG 3.27Å; A1099-K1103 WeakPolarHBondContact O-CG 3.41Å; A1099-K1103 PolarHBondContact O-N 3.23Å |
| 1100 | K | 39.1 | Very low | 40.5 | Very low | 142 Ų | 142 | 112.4 Ų | 112.4 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -77.4 | -42.7 | 175.3 | -163.5 | 178.8 | -177.7 | -172.9 | 0 | 111.3 | F1096 A1097 V1098 Q1102 K1103 S1104 | F1096-K1100 VanDerWaalsContact O-CB 3.29Å; F1096-K1100 WeakPolarHBondContact O-CB 3.38Å; F1096-K1100 PolarHBondContact O-N 3.33Å; A1097-K1100 PolarHBondContact O-N 2.77Å; V1098-K1100 VanDerWaalsContact C-N 3.27Å; V1098-K1100 PolarHBondContact O-N 2.99Å; K1100-Q1102 VanDerWaalsContact C-N 3.3Å; K1100-Q1102 PolarHBondContact O-N 2.93Å; K1100-K1103 PolarHBondContact O-N 2.85Å; K1100-S1104 PolarHBondContact O-N 2.74Å |
| 1101 | V | 42.7 | Very low | 40.6 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.5 | -36.6 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | A1097 V1098 K1103 | A1097-V1101 WeakPolarHBondContact O-CG2 3.33Å; A1097-V1101 PolarHBondContact O-N 2.97Å; V1098-V1101 PolarHBondContact O-N 3.31Å; V1101-K1103 VanDerWaalsContact C-N 3.3Å; V1101-K1103 PolarHBondContact O-N 2.94Å |
| 1102 | Q | 43.8 | Very low | 41 | Very low | 152 Ų | 152 | 114.4 Ų | 114.4 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -3.4 | 177 | -71.5 | 177 | -9.1 | 0 | 0 | 115 | V1098 K1100 | V1098-Q1102 HydrophobicContact CG1-CG 4.43Å; V1098-Q1102 WeakPolarHBondContact O-CB 3.39Å; V1098-Q1102 VanDerWaalsContact O-CG 3.3Å; V1098-Q1102 WeakPolarHBondContact O-CG 3.49Å; V1098-Q1102 PolarHBondContact O-N 2.81Å; K1100-Q1102 VanDerWaalsContact C-N 3.3Å; K1100-Q1102 PolarHBondContact O-N 2.93Å |
| 1103 | K | 41.1 | Very low | 41.3 | Very low | 171 Ų | 171 | 114.5 Ų | 114.5 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 0.5 | -175 | -77.5 | -174 | 173.6 | -176 | 0 | 115.9 | A1099 K1100 V1101 P1105 | A1099-K1103 VanDerWaalsContact O-CB 3.28Å; A1099-K1103 WeakPolarHBondContact O-CB 3.23Å; A1099-K1103 VanDerWaalsContact O-CG 3.27Å; A1099-K1103 WeakPolarHBondContact O-CG 3.41Å; A1099-K1103 PolarHBondContact O-N 3.23Å; K1100-K1103 PolarHBondContact O-N 2.85Å; V1101-K1103 VanDerWaalsContact C-N 3.3Å; V1101-K1103 PolarHBondContact O-N 2.94Å; K1103-P1105 WeakPolarHBondContact O-CD 3.48Å |
| 1104 | S | 34.3 | Very low | 41.7 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | trans | -64.7 | 123 | 168.7 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | K1100 | K1100-S1104 PolarHBondContact O-N 2.74Š| ||
| 1105 | P | 39.5 | Very low | 42 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 65% | 0.65 | S | S | * | * | trans | -61.7 | 147.5 | 168.4 | -18.7 | 32.7 | 0 | 0 | 0 | 110.1 | K1103 E1107 | K1103-P1105 WeakPolarHBondContact O-CD 3.48Å; P1105-E1107 PolarHBondContact O-N 2.83Å | ||
| 1106 | A | 37.3 | Very low | 42.3 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | trans | -83.1 | 113.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1107 | E | 33.5 | Very low | 42.8 | Very low | 180 Ų | 180 | 116.7 Ų | 116.7 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | trans | -106.5 | 144.2 | 150.7 | -70.4 | -169.1 | 154 | 0 | 0 | 108.7 | P1105 E1109 | P1105-E1107 PolarHBondContact O-N 2.83Å; E1107-E1109 PolarHBondContact O-N 2.72Å | ||
| 1108 | P | 42.5 | Very low | 43.2 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 84% | 0.838 | 65% | 0.647 | S | S | * | * | trans | -94.7 | 77.4 | -157.3 | 37 | -37.2 | 0 | 0 | 0 | 114.1 | ||||
| 1109 | E | 38.2 | Very low | 43.4 | Very low | 176 Ų | 176 | 123.4 Ų | 123.4 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -90.2 | 134.7 | 162.4 | -68.9 | -160.4 | 139.2 | 0 | 0 | 111.8 | E1107 I1111 | E1107-E1109 PolarHBondContact O-N 2.72Å; E1109-I1111 VanDerWaalsContact C-N 3.34Å; E1109-I1111 PolarHBondContact O-N 2.99Å | ||
| 1110 | V | 51.3 | Low | 43.8 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 90% | 0.903 | 67% | 0.674 | S | S | * | * | trans | -81.7 | 75.2 | -168.3 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1111 | I | 41.5 | Very low | 44.4 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 63% | 0.631 | 68% | 0.679 | S | S | * | * | trans | -75.1 | 127.3 | 172.4 | -61.8 | 178.9 | 0 | 0 | 0 | 109.6 | E1109 Q1113 | E1109-I1111 VanDerWaalsContact C-N 3.34Å; E1109-I1111 PolarHBondContact O-N 2.99Å; I1111-Q1113 PolarHBondContact O-N 2.85Å | ||
| 1112 | N | 48.4 | Very low | 44.6 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | trans | -66.1 | 128.3 | -166.5 | -164.3 | -17.1 | 0 | 0 | 0 | 112.2 | V1114 Q1115 | N1112-V1114 PolarHBondContact O-N 2.92Å; N1112-Q1115 PolarHBondContact O-N 3.31Å | ||
| 1113 | Q | 45.7 | Very low | 44.7 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 70% | 0.696 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.2 | -20.6 | -167.9 | -156.2 | 175.8 | 39.3 | 0 | 0 | 113.9 | I1111 N1117 | I1111-Q1113 PolarHBondContact O-N 2.85Å; Q1113-N1117 PolarHBondContact O-N 3.09Å; Q1113-N1117 PolarHBondContact O-ND2 2.79Å; Q1113-N1117 VanDerWaalsContact O-ND2 3.13Å |
| 1114 | V | 48 | Very low | 45.2 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 61% | 0.606 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.4 | -50.7 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | N1112 Q1116 N1117 E1118 | N1112-V1114 PolarHBondContact O-N 2.92Å; V1114-Q1116 VanDerWaalsContact C-N 3.28Å; V1114-Q1116 PolarHBondContact O-N 3.07Å; V1114-N1117 PolarHBondContact O-N 3.33Å; V1114-N1117 VanDerWaalsContact O-N 3.11Å; V1114-E1118 PolarHBondContact O-N 3.06Å |
| 1115 | Q | 46.7 | Very low | 45.7 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 52% | 0.523 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.1 | -34.9 | -177.8 | -71.6 | 179.5 | -43.1 | 0 | 0 | 112 | N1112 N1117 E1118 L1119 | N1112-Q1115 PolarHBondContact O-N 3.31Å; Q1115-N1117 VanDerWaalsContact C-N 3.29Å; Q1115-N1117 PolarHBondContact O-N 3.28Å; Q1115-E1118 PolarHBondContact O-N 2.91Å; Q1115-L1119 WeakPolarHBondContact O-CB 3.31Å; Q1115-L1119 PolarHBondContact O-N 2.95Å |
| 1116 | Q | 47.5 | Very low | 45.7 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.4 | -30.6 | 178.4 | -140.3 | -172.7 | 52.6 | 0 | 0 | 112.6 | V1114 K1120 | V1114-Q1116 VanDerWaalsContact C-N 3.28Å; V1114-Q1116 PolarHBondContact O-N 3.07Å; Q1116-K1120 WeakPolarHBondContact O-CG 3.32Å; Q1116-K1120 PolarHBondContact O-N 2.98Å |
| 1117 | N | 51.1 | Low | 45.8 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 43% | 0.428 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -80.3 | -32.9 | 174.2 | -75.6 | -42.4 | 0 | 0 | 0 | 112.5 | Q1113 V1114 Q1115 K1120 R1121 | Q1113-N1117 PolarHBondContact O-N 3.09Å; Q1113-N1117 PolarHBondContact O-ND2 2.79Å; Q1113-N1117 VanDerWaalsContact O-ND2 3.13Å; V1114-N1117 PolarHBondContact O-N 3.33Å; V1114-N1117 VanDerWaalsContact O-N 3.11Å; Q1115-N1117 VanDerWaalsContact C-N 3.29Å; Q1115-N1117 PolarHBondContact O-N 3.28Å; N1117-K1120 PolarHBondContact O-N 2.9Å; N1117-R1121 PolarHBondContact O-N 3.05Å |
| 1118 | E | 50.1 | Low | 46.3 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.3 | -47.7 | 173.8 | -171 | 162.2 | -132.4 | 0 | 0 | 111.7 | V1114 Q1115 K1120 R1121 M1122 | V1114-E1118 PolarHBondContact O-N 3.06Å; Q1115-E1118 PolarHBondContact O-N 2.91Å; E1118-K1120 VanDerWaalsContact C-N 3.31Å; E1118-K1120 PolarHBondContact O-N 3.46Å; E1118-R1121 WeakPolarHBondContact O-CB 3.27Å; E1118-R1121 PolarHBondContact O-N 2.75Å; E1118-R1121 VanDerWaalsContact O-N 3.08Å; E1118-M1122 PolarHBondContact O-N 3.08Å |
| 1119 | L | 46.5 | Very low | 46 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.8 | -41.5 | 171.1 | -86.1 | 159.9 | 0 | 0 | 0 | 112.3 | Q1115 M1122 F1123 | Q1115-L1119 WeakPolarHBondContact O-CB 3.31Å; Q1115-L1119 PolarHBondContact O-N 2.95Å; L1119-M1122 PolarHBondContact O-N 3Å; L1119-F1123 WeakPolarHBondContact O-CB 3.11Å; L1119-F1123 PolarHBondContact O-N 2.99Å |
| 1120 | K | 50.8 | Low | 45.9 | Very low | 121 Ų | 121 | 118.2 Ų | 118.2 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -41.7 | 173.7 | -84.8 | 176.2 | 176.1 | 172 | 0 | 112.6 | Q1116 N1117 E1118 F1123 I1124 | Q1116-K1120 WeakPolarHBondContact O-CG 3.32Å; Q1116-K1120 PolarHBondContact O-N 2.98Å; N1117-K1120 PolarHBondContact O-N 2.9Å; E1118-K1120 VanDerWaalsContact C-N 3.31Å; E1118-K1120 PolarHBondContact O-N 3.46Å; K1120-F1123 PolarHBondContact O-N 3.35Å; K1120-I1124 VanDerWaalsContact O-CG1 3.29Å; K1120-I1124 WeakPolarHBondContact O-CG1 3.43Å; K1120-I1124 PolarHBondContact O-N 3.41Å |
| 1121 | R | 52.7 | Low | 45.3 | Very low | 192 Ų | 192 | 117.2 Ų | 117.2 | 73% | 0.725 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.5 | -47.1 | 175.8 | -75.6 | 179.4 | -178 | 156.2 | 0.5 | 111.5 | N1117 E1118 F1123 I1124 Q1125 | N1117-R1121 PolarHBondContact O-N 3.05Å; E1118-R1121 WeakPolarHBondContact O-CB 3.27Å; E1118-R1121 PolarHBondContact O-N 2.75Å; E1118-R1121 VanDerWaalsContact O-N 3.08Å; R1121-F1123 VanDerWaalsContact C-N 3.32Å; R1121-F1123 PolarHBondContact O-N 3.44Å; R1121-I1124 PolarHBondContact O-N 2.71Å; R1121-Q1125 VanDerWaalsContact O-CB 3.31Å; R1121-Q1125 WeakPolarHBondContact O-CB 3.22Å; R1121-Q1125 PolarHBondContact O-N 2.72Å |
| 1122 | M | 46.1 | Very low | 45 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.1 | -42.2 | 176 | -68.5 | -172.6 | 73.8 | 0 | 0 | 111.8 | E1118 L1119 Q1125 C1126 | E1118-M1122 PolarHBondContact O-N 3.08Å; L1119-M1122 PolarHBondContact O-N 3Å; M1122-Q1125 PolarHBondContact O-N 3.28Å; M1122-C1126 WeakPolarHBondContact O-CB 3.42Å; M1122-C1126 PolarHBondContact O-N 2.95Å; M1122-C1126 PolarHBondContact O-SG 3.08Å |
| 1123 | F | 45.5 | Very low | 44.3 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 58% | 0.575 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -43.2 | 179.2 | -157.3 | -87.3 | 0 | 0 | 0 | 112.2 | L1119 K1120 R1121 C1126 Q1127 | L1119-F1123 WeakPolarHBondContact O-CB 3.11Å; L1119-F1123 PolarHBondContact O-N 2.99Å; K1120-F1123 PolarHBondContact O-N 3.35Å; R1121-F1123 VanDerWaalsContact C-N 3.32Å; R1121-F1123 PolarHBondContact O-N 3.44Å; F1123-C1126 PolarHBondContact O-N 3.2Å; F1123-Q1127 WeakPolarHBondContact O-CB 3.39Å; F1123-Q1127 PolarHBondContact O-N 2.71Å |
| 1124 | I | 52.8 | Low | 44.2 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -43.8 | 173.3 | -69.5 | 165.9 | 0 | 0 | 0 | 110.4 | K1120 R1121 C1126 Q1127 T1128 | K1120-I1124 VanDerWaalsContact O-CG1 3.29Å; K1120-I1124 WeakPolarHBondContact O-CG1 3.43Å; K1120-I1124 PolarHBondContact O-N 3.41Å; R1121-I1124 PolarHBondContact O-N 2.71Å; I1124-C1126 PolarHBondContact O-N 2.82Å; I1124-Q1127 CarbonylContact O-C 3.59Å; I1124-Q1127 WeakPolarHBondContact O-CB 3.18Å; I1124-Q1127 PolarHBondContact O-N 2.88Å; I1124-Q1127 VanDerWaalsContact O-N 3.14Å; I1124-T1128 PolarHBondContact O-N 2.86Å; I1124-T1128 PolarHBondContact O-OG1 3.36Å; I1124-T1128 VanDerWaalsContact O-OG1 3.04Å |
| 1125 | Q | 44.3 | Very low | 44 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -36.7 | -178.9 | -163.5 | 172.4 | 18.3 | 0 | 0 | 112.6 | R1121 M1122 R1129 | R1121-Q1125 VanDerWaalsContact O-CB 3.31Å; R1121-Q1125 WeakPolarHBondContact O-CB 3.22Å; R1121-Q1125 PolarHBondContact O-N 2.72Å; M1122-Q1125 PolarHBondContact O-N 3.28Å; Q1125-R1129 PolarHBondContact O-N 2.68Å; Q1125-R1129 VanDerWaalsContact O-N 3.09Å |
| 1126 | C | 40 | Very low | 43.9 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 49% | 0.486 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -43.9 | 168.6 | -75.4 | 0 | 0 | 0 | 0 | 111.7 | M1122 F1123 I1124 T1128 R1129 I1130 | M1122-C1126 WeakPolarHBondContact O-CB 3.42Å; M1122-C1126 PolarHBondContact O-N 2.95Å; M1122-C1126 PolarHBondContact O-SG 3.08Å; F1123-C1126 PolarHBondContact O-N 3.2Å; I1124-C1126 PolarHBondContact O-N 2.82Å; C1126-T1128 VanDerWaalsContact C-N 3.35Å; C1126-T1128 PolarHBondContact O-N 3.42Å; C1126-R1129 PolarHBondContact O-N 2.61Å; C1126-I1130 WeakPolarHBondContact O-CB 3.39Å; C1126-I1130 WeakPolarHBondContact O-CD1 3.39Å; C1126-I1130 VanDerWaalsContact O-CG1 3.28Å; C1126-I1130 WeakPolarHBondContact O-CG1 3.48Å; C1126-I1130 PolarHBondContact O-N 2.91Å |
| 1127 | Q | 39.6 | Very low | 43.7 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.3 | -41.4 | 176.8 | -174.4 | 178.8 | 4.7 | 0 | 0 | 111.9 | F1123 I1124 I1130 I1131 | F1123-Q1127 WeakPolarHBondContact O-CB 3.39Å; F1123-Q1127 PolarHBondContact O-N 2.71Å; I1124-Q1127 CarbonylContact O-C 3.59Å; I1124-Q1127 WeakPolarHBondContact O-CB 3.18Å; I1124-Q1127 PolarHBondContact O-N 2.88Å; I1124-Q1127 VanDerWaalsContact O-N 3.14Å; Q1127-I1130 PolarHBondContact O-N 2.95Å; Q1127-I1131 HydrophobicContact CG-CD1 4.01Å; Q1127-I1131 WeakPolarHBondContact O-CD1 3.2Å; Q1127-I1131 VanDerWaalsContact O-CG1 3.31Å; Q1127-I1131 WeakPolarHBondContact O-CG1 3.45Å; Q1127-I1131 PolarHBondContact O-N 2.73Å; Q1127-I1131 VanDerWaalsContact O-N 3.16Å |
| 1128 | T | 42.1 | Very low | 43.2 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 42% | 0.423 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63 | -44.3 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | I1124 C1126 I1130 I1131 Q1132 | I1124-T1128 PolarHBondContact O-N 2.86Å; I1124-T1128 PolarHBondContact O-OG1 3.36Å; I1124-T1128 VanDerWaalsContact O-OG1 3.04Å; C1126-T1128 VanDerWaalsContact C-N 3.35Å; C1126-T1128 PolarHBondContact O-N 3.42Å; T1128-I1130 VanDerWaalsContact C-N 3.34Å; T1128-I1130 PolarHBondContact O-N 3.32Å; T1128-I1131 PolarHBondContact O-N 2.95Å; T1128-I1131 VanDerWaalsContact O-N 3.12Å; T1128-Q1132 WeakPolarHBondContact O-CG 3.49Å; T1128-Q1132 PolarHBondContact O-N 2.98Å; T1128-Q1132 VanDerWaalsContact O-N 3.16Å |
| 1129 | R | 36.7 | Very low | 42.7 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.5 | -35.3 | 175.7 | -101.7 | 176.8 | 165.5 | 156.8 | -5.5 | 113.4 | Q1125 C1126 I1131 Q1132 I1133 | Q1125-R1129 PolarHBondContact O-N 2.68Å; Q1125-R1129 VanDerWaalsContact O-N 3.09Å; C1126-R1129 PolarHBondContact O-N 2.61Å; R1129-I1131 PolarHBondContact O-N 2.75Å; R1129-Q1132 PolarHBondContact O-N 3.03Å; R1129-I1133 WeakPolarHBondContact O-CG1 3.36Å; R1129-I1133 PolarHBondContact O-N 2.67Å |
| 1130 | I | 37.4 | Very low | 42.5 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 57% | 0.569 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -3.8 | 176.8 | -66.1 | 164.2 | 0 | 0 | 0 | 112.4 | C1126 Q1127 T1128 | C1126-I1130 WeakPolarHBondContact O-CB 3.39Å; C1126-I1130 WeakPolarHBondContact O-CD1 3.39Å; C1126-I1130 VanDerWaalsContact O-CG1 3.28Å; C1126-I1130 WeakPolarHBondContact O-CG1 3.48Å; C1126-I1130 PolarHBondContact O-N 2.91Å; Q1127-I1130 PolarHBondContact O-N 2.95Å; T1128-I1130 VanDerWaalsContact C-N 3.34Å; T1128-I1130 PolarHBondContact O-N 3.32Å |
| 1131 | I | 38.1 | Very low | 41.8 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 66% | 0.656 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -8.3 | 169.6 | -67.5 | 166.8 | 0 | 0 | 0 | 110.9 | Q1127 T1128 R1129 | Q1127-I1131 HydrophobicContact CG-CD1 4.01Å; Q1127-I1131 WeakPolarHBondContact O-CD1 3.2Å; Q1127-I1131 VanDerWaalsContact O-CG1 3.31Å; Q1127-I1131 WeakPolarHBondContact O-CG1 3.45Å; Q1127-I1131 PolarHBondContact O-N 2.73Å; Q1127-I1131 VanDerWaalsContact O-N 3.16Å; T1128-I1131 PolarHBondContact O-N 2.95Å; T1128-I1131 VanDerWaalsContact O-N 3.12Å; R1129-I1131 PolarHBondContact O-N 2.75Å |
| 1132 | Q | 35.2 | Very low | 40.9 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | trans | -104.7 | 2 | 175.1 | -69.2 | 178.3 | -49 | 0 | 0 | 112.9 | T1128 R1129 | T1128-Q1132 WeakPolarHBondContact O-CG 3.49Å; T1128-Q1132 PolarHBondContact O-N 2.98Å; T1128-Q1132 VanDerWaalsContact O-N 3.16Å; R1129-Q1132 PolarHBondContact O-N 3.03Å | ||
| 1133 | I | 33.5 | Very low | 40.5 | Very low | 189 Ų | 189 | 123 Ų | 123 | 97% | 0.969 | 60% | 0.602 | S | S | * | * | trans | -124.9 | 0 | 174.1 | -60.5 | 166.4 | 0 | 0 | 0 | 106.6 | R1129 | R1129-I1133 WeakPolarHBondContact O-CG1 3.36Å; R1129-I1133 PolarHBondContact O-N 2.67Å |
Retrieved 1,133 of 1,133 residues in 193.3 ms
(Link to these results)