| 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 | 72.4 | Confident | 88.7 | Confident | 214 Ų | 214 | 44 Ų | 44 | 100% | 1.054 | 21% | 0.207 | S | C | * | . | 0 | -48.4 | 0 | -71.8 | -175.8 | -156.5 | 0 | 0 | 112.2 | A3 R4 | M1-A3 VanDerWaalsContact C-N 3.25Å; M1-A3 PolarHBondContact O-N 3.14Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-R4 WeakPolarHBondContact O-CB 3.37Å; M1-R4 PolarHBondContact O-N 3.49Å | |||
| 2 | L | 79.7 | Confident | 89.3 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -53.6 | -35.9 | -177.1 | -66.8 | 172.2 | 0 | 0 | 0 | 114.8 | R4 R5 W59 Q172 L175 L176 | L2-R4 PolarHBondContact O-N 3.42Å; L2-R5 VanDerWaalsContact O-CB 3.31Å; L2-R5 WeakPolarHBondContact O-CB 3.31Å; L2-R5 WeakPolarHBondContact O-CG 3.43Å; L2-R5 PolarHBondContact O-N 2.86Å; L2-W59 HydrophobicContact CD2-CE3 4.06Å; L2-W59 HydrophobicContact CD2-CZ3 4.13Å; L2-Q172 HydrophobicContact CB-CB 4.46Å; L2-Q172 HydrophobicContact CB-CG 4.3Å; L2-Q172 VanDerWaalsContact CD1-O 3.23Å; L2-Q172 WeakPolarHBondContact CD1-O 3.4Å; L2-L175 HydrophobicContact CD1-CB 3.91Å; L2-L175 HydrophobicContact CD2-CB 4.04Å; L2-L175 HydrophobicContact CD2-CD1 4.02Å; L2-L176 HydrophobicContact CD1-CB 4Å; L2-L176 HydrophobicContact CD1-CD1 4.25Å |
| 3 | A | 83.5 | Confident | 89.6 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -58.5 | -17.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 R162 S165 | M1-A3 VanDerWaalsContact C-N 3.25Å; M1-A3 PolarHBondContact O-N 3.14Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-R162 HydrophobicContact CB-CG 3.73Å; A3-S165 VanDerWaalsContact CA-OG 3.25Å; A3-S165 WeakPolarHBondContact CA-OG 3.36Å; A3-S165 WeakPolarHBondContact O-CA 3.46Å; A3-S165 WeakPolarHBondContact O-CB 3.48Å; A3-S165 PolarHBondContact O-OG 2.9Å |
| 4 | R | 88 | Confident | 89.8 | Confident | 156 Ų | 156 | 34.9 Ų | 34.9 | 59% | 0.589 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -87.7 | -3.7 | 177.3 | -57.6 | -165.4 | 174.4 | 164.3 | -1.9 | 113.4 | M1 L2 Q6 Y160 | M1-R4 WeakPolarHBondContact O-CB 3.37Å; M1-R4 PolarHBondContact O-N 3.49Å; L2-R4 PolarHBondContact O-N 3.42Å; R4-Q6 PolarHBondContact O-NE2 3.3Å; R4-Q6 VanDerWaalsContact O-NE2 3.11Å; R4-Y160 HydrophobicContact CB-CD1 4.19Å; R4-Y160 WeakPolarHBondContact CG-O 3.48Å; R4-Y160 WeakPolarHBondContact O-CD1 3.43Å |
| 5 | R | 89 | Confident | 89.5 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | trans | -60.6 | 142.8 | 178.3 | -71.3 | -72.6 | -178.4 | -163.8 | -13.1 | 110.8 | L2 P7 D30 G33 V34 L167 | L2-R5 VanDerWaalsContact O-CB 3.31Å; L2-R5 WeakPolarHBondContact O-CB 3.31Å; L2-R5 WeakPolarHBondContact O-CG 3.43Å; L2-R5 PolarHBondContact O-N 2.86Å; R5-P7 WeakPolarHBondContact O-CD 3.32Å; R5-D30 IonicContact CZ-OD1 2.79Å; R5-D30 PolarHBondContact NH1-O 3.2Å; R5-D30 IonicContact NH1-OD1 3.59Å; R5-D30 PolarHBondContact NH1-OD1 3.35Å; R5-D30 IonicContact NH2-OD1 3.4Å; R5-D30 PolarHBondContact NH2-OD1 3.01Å; R5-G33 CarbonylContact C-O 3.58Å; R5-G33 VanDerWaalsContact CA-O 3.29Å; R5-G33 WeakPolarHBondContact CA-O 3.48Å; R5-G33 WeakPolarHBondContact CD-O 3.41Å; R5-V34 PolarHBondContact NH1-O 3.09Å; R5-L167 HydrophobicContact CB-CD2 4.34Å; R5-L167 HydrophobicContact CG-CD2 4.5Å | ||
| 6 | Q | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 85.2 | -178.6 | -58.5 | -61.8 | -62.5 | 0 | 0 | 107.9 | R4 D8 L9 G33 M159 Y160 | R4-Q6 PolarHBondContact O-NE2 3.3Å; R4-Q6 VanDerWaalsContact O-NE2 3.11Å; Q6-D8 PolarHBondContact O-N 3.15Å; Q6-L9 HydrophobicContact CB-CB 4.15Å; Q6-L9 PolarHBondContact O-N 3.5Å; Q6-G33 PolarHBondContact N-O 3Å; Q6-M159 PolarHBondContact NE2-O 2.75Å; Q6-Y160 HydrophobicContact CG-CD1 4.01Å; Q6-Y160 HydrophobicContact CG-CE1 3.36Å; Q6-Y160 HydrophobicContact CG-CE2 4.45Å |
| 7 | P | 89.9 | Confident | 88.9 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 26% | 0.26 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.7 | -177.6 | 28.9 | -34.7 | 0 | 0 | 0 | 113.5 | R5 H35 M80 M166 | R5-P7 WeakPolarHBondContact O-CD 3.32Å; P7-H35 HydrophobicContact CB-CB 4.18Å; P7-M80 WeakPolarHBondContact O-CE 3.39Å; P7-M166 HydrophobicContact CG-CB 3.74Å |
| 8 | D | 93 | Very high | 88.8 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.6 | 178 | 69.3 | -40.3 | 0 | 0 | 0 | 113.1 | Q6 P102 T103 R154 M166 | Q6-D8 PolarHBondContact O-N 3.15Å; D8-P102 HydrophobicContact CB-CB 3.96Å; D8-P102 HydrophobicContact CB-CG 4.14Å; D8-P102 CarbonylContact O-C 3.54Å; D8-P102 WeakPolarHBondContact O-CA 3.23Å; D8-T103 PolarHBondContact O-N 3.08Å; D8-R154 IonicContact OD1-CZ 3.68Å; D8-R154 IonicContact OD1-NH1 2.92Å; D8-R154 PolarHBondContact OD1-NH1 3.05Å; D8-R154 IonicContact OD1-NH2 2.85Å; D8-R154 IonicContact OD2-CZ 2.75Å; D8-R154 VanDerWaalsContact OD2-CZ 3.29Å; D8-R154 IonicContact OD2-NH1 2.73Å; D8-R154 PolarHBondContact OD2-NH1 3.31Å; D8-R154 IonicContact OD2-NH2 3.53Å; D8-R154 PolarHBondContact OD2-NH2 3.44Å; D8-M166 HydrophobicContact CB-SD 4.46Å; D8-M166 WeakPolarHBondContact OD1-CE 3.39Å |
| 9 | L | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.5 | 169 | -178 | 65 | 0 | 0 | 0 | 109 | Q6 V34 T103 L147 A150 | Q6-L9 HydrophobicContact CB-CB 4.15Å; Q6-L9 PolarHBondContact O-N 3.5Å; L9-V34 HydrophobicContact CB-CG2 4.32Å; L9-V34 HydrophobicContact CD2-CG2 4.05Å; L9-V34 HydrophobicContact CG-CG2 3.91Å; L9-V34 WeakPolarHBondContact O-CG1 3.48Å; L9-V34 WeakPolarHBondContact O-CG2 3.19Å; L9-T103 WeakPolarHBondContact CA-O 3.42Å; L9-L147 HydrophobicContact CD1-CD2 4.47Å; L9-L147 HydrophobicContact CD2-CD2 4.16Å; L9-L147 HydrophobicContact CG-CD2 4.27Å; L9-A150 HydrophobicContact CD1-CB 4.1Å; L9-A150 HydrophobicContact CD2-CB 4.09Å |
| 10 | T | 96.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 167.5 | 179.6 | -170.4 | 0 | 0 | 0 | 0 | 113.5 | E36 H38 L75 M80 T103 C104 I105 | T10-E36 WeakPolarHBondContact CB-O 3.34Å; T10-E36 PolarHBondContact OG1-O 3.17Å; T10-H38 PolarHBondContact OG1-CD2 3.26Å; T10-L75 HydrophobicContact CG2-CD2 3.68Å; T10-M80 HydrophobicContact CG2-CE 4.07Å; T10-M80 HydrophobicContact CG2-SD 3.54Å; T10-M80 VanDerWaalsContact CG2-SD 3.54Å; T10-T103 PolarHBondContact N-O 2.91Å; T10-C104 HydrophobicContact CG2-CB 3.68Å; T10-C104 WeakPolarHBondContact O-CA 3.11Å; T10-I105 PolarHBondContact O-N 3.49Å |
| 11 | V | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.2 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | M13 I25 V37 H38 I105 M107 L147 | V11-M13 HydrophobicContact CG1-CG 4.27Å; V11-I25 HydrophobicContact CB-CG2 4.32Å; V11-I25 HydrophobicContact CG1-CG2 3.89Å; V11-V37 HydrophobicContact CB-CG1 4.43Å; V11-H38 PolarHBondContact O-N 2.77Å; V11-I105 CarbonylContact C-O 3.51Å; V11-I105 WeakPolarHBondContact CA-O 3.5Å; V11-M107 HydrophobicContact CG1-CG 3.7Å; V11-L147 HydrophobicContact CG2-CD1 3.75Å; V11-L147 HydrophobicContact CG2-CD2 3.89Å; V11-L147 HydrophobicContact CG2-CG 4.08Å |
| 12 | C | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116 | 168.8 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | H38 L75 C104 I105 L106 M107 | C12-H38 CarbonylContact C-O 3.56Å; C12-H38 WeakPolarHBondContact CA-O 3.41Å; C12-H38 HydrophobicContact CB-CB 4.02Å; C12-L75 HydrophobicContact CB-CD1 4.23Å; C12-C104 WeakPolarHBondContact CB-SG 3.38Å; C12-I105 PolarHBondContact N-O 3.14Å; C12-L106 HydrophobicContact CB-CD1 3.78Å; C12-L106 WeakPolarHBondContact O-CA 3.13Å; C12-M107 PolarHBondContact O-N 2.94Å |
| 13 | M | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 110.6 | 176.7 | -66.4 | 171.6 | -75.8 | 0 | 0 | 109.6 | V11 Q15 V16 V22 I25 V37 H38 A39 V40 M46 | V11-M13 HydrophobicContact CG1-CG 4.27Å; M13-Q15 PolarHBondContact O-N 2.94Å; M13-V16 HydrophobicContact CB-CB 4.29Å; M13-V16 HydrophobicContact CB-CG2 3.83Å; M13-V16 HydrophobicContact CG-CG2 4.17Å; M13-V22 HydrophobicContact SD-CG2 4.47Å; M13-I25 HydrophobicContact CG-CD1 4.08Å; M13-I25 HydrophobicContact CG-CG2 4.27Å; M13-I25 HydrophobicContact SD-CB 4.08Å; M13-I25 HydrophobicContact SD-CD1 3.92Å; M13-I25 HydrophobicContact SD-CG2 3.86Å; M13-V37 HydrophobicContact CE-CB 4.42Å; M13-V37 HydrophobicContact CE-CG2 4.1Å; M13-H38 PolarHBondContact N-O 3.29Å; M13-A39 HydrophobicContact CE-CB 4.35Å; M13-A39 WeakPolarHBondContact O-CA 3.31Å; M13-V40 PolarHBondContact O-N 2.92Å; M13-M46 HydrophobicContact CE-CE 3.67Å; M13-M46 HydrophobicContact SD-CE 4.2Å |
| 14 | E | 92 | Very high | 90.3 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 104.9 | 172.5 | -172 | -174.5 | -153.3 | 0 | 0 | 109.7 | V16 L106 M107 G108 Q109 T115 A118 | E14-V16 VanDerWaalsContact C-N 3.25Å; E14-V16 PolarHBondContact O-N 3.06Å; E14-V16 VanDerWaalsContact O-N 3.09Å; E14-L106 HydrophobicContact CB-CD1 4.4Å; E14-M107 PolarHBondContact N-O 3.06Å; E14-G108 CarbonylContact O-C 3.6Å; E14-Q109 PolarHBondContact O-N 3.16Å; E14-T115 WeakPolarHBondContact OE1-CB 3.36Å; E14-T115 WeakPolarHBondContact OE1-CG2 3.24Å; E14-T115 PolarHBondContact OE1-OG1 3.01Å; E14-T115 PolarHBondContact OE2-N 3.4Å; E14-T115 PolarHBondContact OE2-OG1 3.13Å; E14-A118 WeakPolarHBondContact OE2-CB 3.17Å |
| 15 | Q | 85.3 | Confident | 90.5 | Very high | 58 Ų | 58 | 25 Ų | 25 | 27% | 0.271 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 52 | 35 | 173.6 | -54.2 | -171.9 | 33 | 0 | 0 | 115.4 | M13 H17 V40 | M13-Q15 PolarHBondContact O-N 2.94Å; Q15-H17 PolarHBondContact O-CD2 3.34Å; Q15-H17 PolarHBondContact O-N 3.29Å; Q15-H17 PolarHBondContact O-NE2 3.45Å; Q15-V40 PolarHBondContact N-O 3.41Å |
| 16 | V | 85.8 | Confident | 90.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -68.7 | 96.4 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | M13 E14 N21 V22 W41 E110 V139 | M13-V16 HydrophobicContact CB-CB 4.29Å; M13-V16 HydrophobicContact CB-CG2 3.83Å; M13-V16 HydrophobicContact CG-CG2 4.17Å; E14-V16 VanDerWaalsContact C-N 3.25Å; E14-V16 PolarHBondContact O-N 3.06Å; E14-V16 VanDerWaalsContact O-N 3.09Å; V16-N21 HydrophobicContact CG1-CB 3.88Å; V16-V22 HydrophobicContact CB-CG2 4.28Å; V16-V22 HydrophobicContact CG1-CG2 4.02Å; V16-V22 VanDerWaalsContact O-CG2 3.22Å; V16-V22 WeakPolarHBondContact O-CG2 3.46Å; V16-W41 WeakPolarHBondContact O-CH2 3.11Å; V16-W41 VanDerWaalsContact O-CZ3 3.25Å; V16-W41 WeakPolarHBondContact O-CZ3 3.37Å; V16-E110 WeakPolarHBondContact CG1-OE1 3.12Å; V16-V139 HydrophobicContact CG1-CG1 4.02Å; V16-V139 HydrophobicContact CG2-CG2 4.32Å | ||
| 17 | H | 83.2 | Confident | 90.6 | Very high | 88 Ų | 88 | 30 Ų | 30 | 41% | 0.407 | 14% | 0.144 | S | C | . | . | trans | -81 | -21.8 | -166.6 | -64.7 | -65.7 | 0 | 0 | 0 | 115.3 | Q15 P19 Q109 | Q15-H17 PolarHBondContact O-CD2 3.34Å; Q15-H17 PolarHBondContact O-N 3.29Å; Q15-H17 PolarHBondContact O-NE2 3.45Å; H17-P19 VanDerWaalsContact O-CD 3.23Å; H17-P19 WeakPolarHBondContact O-CD 3.41Å; H17-Q109 PolarHBondContact CD2-NE2 2.92Å; H17-Q109 PolarHBondContact NE2-NE2 3Å | ||
| 18 | K | 86.2 | Confident | 90.8 | Very high | 119 Ų | 119 | 29.2 Ų | 29.2 | 52% | 0.517 | 14% | 0.138 | S | C | . | . | trans | -76.7 | 116.2 | -177.3 | -68.6 | -178.3 | 178.8 | 177.2 | 0 | 110 | H20 N21 V22 E110 | K18-H20 PolarHBondContact O-N 3.3Å; K18-H20 VanDerWaalsContact O-N 3.1Å; K18-N21 HydrophobicContact CB-CB 4.21Å; K18-N21 PolarHBondContact O-N 2.94Å; K18-V22 PolarHBondContact O-N 3.35Å; K18-V22 VanDerWaalsContact O-N 3.16Å; K18-E110 WeakPolarHBondContact CB-OE1 3.42Å | ||
| 19 | P | 84.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 28.3 Ų | 28.3 | 28% | 0.279 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -58.5 | -30.2 | -177.5 | -27.7 | 37.9 | 0 | 0 | 0 | 114.1 | H17 S23 R47 M49 | H17-P19 VanDerWaalsContact O-CD 3.23Å; H17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-S23 WeakPolarHBondContact O-CB 3.31Å; P19-S23 PolarHBondContact O-N 3.49Å; P19-S23 PolarHBondContact O-OG 2.84Å; P19-R47 HydrophobicContact CB-CB 4.36Å; P19-R47 WeakPolarHBondContact CB-O 3.41Å; P19-R47 HydrophobicContact CG-CB 3.98Å; P19-M49 HydrophobicContact CB-CG 3.98Å |
| 20 | H | 87.8 | Confident | 90.6 | Very high | 102 Ų | 102 | 30.1 Ų | 30.1 | 47% | 0.472 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 173.4 | 175 | -82.9 | 0 | 0 | 0 | 112.1 | K18 S23 A24 M49 | K18-H20 PolarHBondContact O-N 3.3Å; K18-H20 VanDerWaalsContact O-N 3.1Å; H20-S23 PolarHBondContact O-N 2.85Å; H20-A24 VanDerWaalsContact O-CB 3.29Å; H20-A24 WeakPolarHBondContact O-CB 3.31Å; H20-A24 PolarHBondContact O-N 2.93Å; H20-M49 HydrophobicContact CB-SD 4.33Å |
| 21 | N | 90.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | -179.1 | -72.8 | -11.6 | 0 | 0 | 0 | 110.7 | V16 K18 A24 I25 E110 N138 V139 | V16-N21 HydrophobicContact CG1-CB 3.88Å; K18-N21 HydrophobicContact CB-CB 4.21Å; K18-N21 PolarHBondContact O-N 2.94Å; N21-A24 PolarHBondContact O-N 2.96Å; N21-I25 WeakPolarHBondContact O-CB 3.3Å; N21-I25 VanDerWaalsContact O-CG1 3.23Å; N21-I25 WeakPolarHBondContact O-CG1 3.42Å; N21-I25 PolarHBondContact O-N 3.4Å; N21-E110 PolarHBondContact ND2-OE1 2.76Å; N21-N138 PolarHBondContact OD1-ND2 3.45Å; N21-N138 PolarHBondContact OD1-OD1 3.2Å; N21-N138 VanDerWaalsContact OD1-OD1 3.13Å; N21-V139 HydrophobicContact CB-CG1 3.78Å; N21-V139 WeakPolarHBondContact ND2-CG1 3.34Å |
| 22 | V | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.8 | -55.2 | 172.8 | 170 | 0 | 0 | 0 | 0 | 111.2 | M13 V16 K18 A24 I25 I26 W41 M46 T48 | M13-V22 HydrophobicContact SD-CG2 4.47Å; V16-V22 HydrophobicContact CB-CG2 4.28Å; V16-V22 HydrophobicContact CG1-CG2 4.02Å; V16-V22 VanDerWaalsContact O-CG2 3.22Å; V16-V22 WeakPolarHBondContact O-CG2 3.46Å; K18-V22 PolarHBondContact O-N 3.35Å; K18-V22 VanDerWaalsContact O-N 3.16Å; V22-A24 VanDerWaalsContact C-N 3.3Å; V22-A24 PolarHBondContact O-N 3.32Å; V22-I25 PolarHBondContact O-N 3.36Å; V22-I26 HydrophobicContact CG1-CD1 3.79Å; V22-I26 WeakPolarHBondContact O-CG1 3.12Å; V22-I26 PolarHBondContact O-N 3.47Å; V22-W41 HydrophobicContact CG2-CH2 4.21Å; V22-W41 HydrophobicContact CG2-CZ3 4.27Å; V22-M46 HydrophobicContact CB-CE 4.15Å; V22-M46 HydrophobicContact CG1-CE 3.2Å; V22-M46 HydrophobicContact CG1-CG 4.4Å; V22-M46 HydrophobicContact CG1-SD 3.95Å; V22-M46 HydrophobicContact CG2-CE 3.83Å; V22-T48 HydrophobicContact CG1-CG2 3.88Å |
| 23 | S | 88.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | -179.5 | -74 | 0 | 0 | 0 | 0 | 112.8 | P19 H20 I26 R27 M49 A52 | P19-S23 WeakPolarHBondContact O-CB 3.31Å; P19-S23 PolarHBondContact O-N 3.49Å; P19-S23 PolarHBondContact O-OG 2.84Å; H20-S23 PolarHBondContact O-N 2.85Å; S23-I26 PolarHBondContact O-N 3.2Å; S23-R27 WeakPolarHBondContact O-CB 3.45Å; S23-R27 PolarHBondContact O-N 2.77Å; S23-M49 PolarHBondContact OG-N 3.3Å; S23-M49 PolarHBondContact OG-O 3.35Å; S23-A52 VanDerWaalsContact CB-CB 3.47Å |
| 24 | A | 91.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 33.4 Ų | 33.4 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H20 N21 V22 R27 T28 | H20-A24 VanDerWaalsContact O-CB 3.29Å; H20-A24 WeakPolarHBondContact O-CB 3.31Å; H20-A24 PolarHBondContact O-N 2.93Å; N21-A24 PolarHBondContact O-N 2.96Å; V22-A24 VanDerWaalsContact C-N 3.3Å; V22-A24 PolarHBondContact O-N 3.32Å; A24-R27 PolarHBondContact O-N 2.78Å; A24-T28 WeakPolarHBondContact O-CB 3.41Å; A24-T28 PolarHBondContact O-N 3.26Å; A24-T28 PolarHBondContact O-OG1 3.12Å |
| 25 | I | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 174.2 | -68.9 | 166.7 | 0 | 0 | 0 | 110.1 | V11 M13 N21 V22 R27 T28 A29 V139 | V11-I25 HydrophobicContact CB-CG2 4.32Å; V11-I25 HydrophobicContact CG1-CG2 3.89Å; M13-I25 HydrophobicContact CG-CD1 4.08Å; M13-I25 HydrophobicContact CG-CG2 4.27Å; M13-I25 HydrophobicContact SD-CB 4.08Å; M13-I25 HydrophobicContact SD-CD1 3.92Å; M13-I25 HydrophobicContact SD-CG2 3.86Å; N21-I25 WeakPolarHBondContact O-CB 3.3Å; N21-I25 VanDerWaalsContact O-CG1 3.23Å; N21-I25 WeakPolarHBondContact O-CG1 3.42Å; N21-I25 PolarHBondContact O-N 3.4Å; V22-I25 PolarHBondContact O-N 3.36Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.28Å; I25-T28 WeakPolarHBondContact O-CB 3.37Å; I25-T28 PolarHBondContact O-N 2.82Å; I25-T28 VanDerWaalsContact O-N 3.17Å; I25-A29 WeakPolarHBondContact O-CB 3.21Å; I25-A29 PolarHBondContact O-N 3.28Å; I25-V139 HydrophobicContact CD1-CG1 4.39Å; I25-V139 HydrophobicContact CD1-CG2 4.27Å |
| 26 | I | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 178.1 | -65.7 | 165.2 | 0 | 0 | 0 | 110.9 | V22 S23 T28 A29 D30 V37 T48 V60 V62 | V22-I26 HydrophobicContact CG1-CD1 3.79Å; V22-I26 WeakPolarHBondContact O-CG1 3.12Å; V22-I26 PolarHBondContact O-N 3.47Å; S23-I26 PolarHBondContact O-N 3.2Å; I26-T28 VanDerWaalsContact C-N 3.34Å; I26-T28 PolarHBondContact O-N 3.11Å; I26-A29 WeakPolarHBondContact O-CB 3.28Å; I26-A29 PolarHBondContact O-N 3.42Å; I26-D30 PolarHBondContact O-N 3.14Å; I26-V37 HydrophobicContact CG1-CG2 4.12Å; I26-T48 HydrophobicContact CD1-CG2 4.16Å; I26-V60 HydrophobicContact CG2-CB 4.13Å; I26-V60 HydrophobicContact CG2-CG1 4.39Å; I26-V62 HydrophobicContact CD1-CG2 3.82Å; I26-V62 HydrophobicContact CG1-CG2 4.3Å |
| 27 | R | 90.2 | Very high | 90.3 | Very high | 131 Ų | 131 | 32.6 Ų | 32.6 | 49% | 0.494 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.8 | -179.4 | 174.4 | 176.5 | 178.6 | 0.5 | 112.8 | S23 A24 I25 D30 A31 A52 | S23-R27 WeakPolarHBondContact O-CB 3.45Å; S23-R27 PolarHBondContact O-N 2.77Å; A24-R27 PolarHBondContact O-N 2.78Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 3.28Å; R27-D30 WeakPolarHBondContact O-CB 3.42Å; R27-D30 PolarHBondContact O-N 3.47Å; R27-A31 PolarHBondContact O-N 2.89Å; R27-A52 VanDerWaalsContact CD-O 3.27Å; R27-A52 WeakPolarHBondContact CD-O 3.42Å |
| 28 | T | 93.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | A24 I25 I26 D30 A31 V32 A144 L147 | A24-T28 WeakPolarHBondContact O-CB 3.41Å; A24-T28 PolarHBondContact O-N 3.26Å; A24-T28 PolarHBondContact O-OG1 3.12Å; I25-T28 WeakPolarHBondContact O-CB 3.37Å; I25-T28 PolarHBondContact O-N 2.82Å; I25-T28 VanDerWaalsContact O-N 3.17Å; I26-T28 VanDerWaalsContact C-N 3.34Å; I26-T28 PolarHBondContact O-N 3.11Å; T28-D30 VanDerWaalsContact C-N 3.28Å; T28-D30 PolarHBondContact O-N 2.89Å; T28-A31 WeakPolarHBondContact O-CB 3.5Å; T28-A31 PolarHBondContact O-N 3.38Å; T28-A31 VanDerWaalsContact O-N 3.15Å; T28-V32 PolarHBondContact O-N 2.77Å; T28-V32 VanDerWaalsContact O-N 3.13Å; T28-A144 HydrophobicContact CG2-CB 3.73Å; T28-L147 HydrophobicContact CG2-CB 4.32Å; T28-L147 HydrophobicContact CG2-CD1 3.74Å |
| 29 | A | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I25 I26 A31 V32 G33 V34 V37 L147 | I25-A29 WeakPolarHBondContact O-CB 3.21Å; I25-A29 PolarHBondContact O-N 3.28Å; I26-A29 WeakPolarHBondContact O-CB 3.28Å; I26-A29 PolarHBondContact O-N 3.42Å; A29-A31 PolarHBondContact O-N 2.77Å; A29-V32 WeakPolarHBondContact O-CG2 3.45Å; A29-V32 PolarHBondContact O-N 3.18Å; A29-G33 PolarHBondContact O-N 3.38Å; A29-V34 HydrophobicContact CB-CB 3.8Å; A29-V34 HydrophobicContact CB-CG1 3.99Å; A29-V34 HydrophobicContact CB-CG2 4.2Å; A29-V34 WeakPolarHBondContact O-CB 3.34Å; A29-V34 PolarHBondContact O-N 3.02Å; A29-V37 HydrophobicContact CB-CG1 3.66Å; A29-L147 HydrophobicContact CB-CD1 4.47Å |
| 30 | D | 91.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 21 Ų | 21 | 21% | 0.209 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 175 | -171.2 | 33.2 | 0 | 0 | 0 | 112.5 | R5 I26 R27 T28 V32 G33 S56 V60 | R5-D30 IonicContact CZ-OD1 2.79Å; R5-D30 PolarHBondContact NH1-O 3.2Å; R5-D30 IonicContact NH1-OD1 3.59Å; R5-D30 PolarHBondContact NH1-OD1 3.35Å; R5-D30 IonicContact NH2-OD1 3.4Å; R5-D30 PolarHBondContact NH2-OD1 3.01Å; I26-D30 PolarHBondContact O-N 3.14Å; R27-D30 WeakPolarHBondContact O-CB 3.42Å; R27-D30 PolarHBondContact O-N 3.47Å; T28-D30 VanDerWaalsContact C-N 3.28Å; T28-D30 PolarHBondContact O-N 2.89Å; D30-V32 VanDerWaalsContact C-N 3.29Å; D30-V32 PolarHBondContact O-N 3.34Å; D30-G33 PolarHBondContact O-N 2.87Å; D30-S56 WeakPolarHBondContact OD2-CB 3.32Å; D30-V60 HydrophobicContact CB-CG2 3.54Å |
| 31 | A | 91.5 | Very high | 91.2 | Very high | 60 Ų | 60 | 17.6 Ų | 17.6 | 50% | 0.496 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -61 | -34.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R27 T28 A29 G33 | R27-A31 PolarHBondContact O-N 2.89Å; T28-A31 WeakPolarHBondContact O-CB 3.5Å; T28-A31 PolarHBondContact O-N 3.38Å; T28-A31 VanDerWaalsContact O-N 3.15Å; A29-A31 PolarHBondContact O-N 2.77Å; A31-G33 VanDerWaalsContact C-N 3.34Å |
| 32 | V | 93 | Very high | 90.2 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.8 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | T28 A29 D30 V34 L147 Q151 Y160 | T28-V32 PolarHBondContact O-N 2.77Å; T28-V32 VanDerWaalsContact O-N 3.13Å; A29-V32 WeakPolarHBondContact O-CG2 3.45Å; A29-V32 PolarHBondContact O-N 3.18Å; D30-V32 VanDerWaalsContact C-N 3.29Å; D30-V32 PolarHBondContact O-N 3.34Å; V32-V34 HydrophobicContact CG2-CG2 3.85Å; V32-L147 HydrophobicContact CG1-CB 4.14Å; V32-L147 HydrophobicContact CG2-CB 4.06Å; V32-L147 HydrophobicContact CG2-CD1 4.26Å; V32-L147 HydrophobicContact CG2-CD2 4.12Å; V32-L147 HydrophobicContact CG2-CG 4.39Å; V32-Q151 HydrophobicContact CB-CB 4.12Å; V32-Q151 HydrophobicContact CB-CG 4.37Å; V32-Q151 HydrophobicContact CG1-CB 4.14Å; V32-Y160 VanDerWaalsContact O-CE1 3.28Å; V32-Y160 WeakPolarHBondContact O-CE1 3.4Å; V32-Y160 PolarHBondContact O-OH 3.38Å |
| 33 | G | 90.7 | Very high | 88.7 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 16 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R5 Q6 A29 D30 A31 | R5-G33 CarbonylContact C-O 3.58Å; R5-G33 VanDerWaalsContact CA-O 3.29Å; R5-G33 WeakPolarHBondContact CA-O 3.48Å; R5-G33 WeakPolarHBondContact CD-O 3.41Å; Q6-G33 PolarHBondContact N-O 3Å; A29-G33 PolarHBondContact O-N 3.38Å; D30-G33 PolarHBondContact O-N 2.87Å; A31-G33 VanDerWaalsContact C-N 3.34Å |
| 34 | V | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 140.6 | 167.8 | 167.8 | 0 | 0 | 0 | 0 | 109.2 | R5 L9 A29 V32 E36 V37 L147 | R5-V34 PolarHBondContact NH1-O 3.09Å; L9-V34 HydrophobicContact CB-CG2 4.32Å; L9-V34 HydrophobicContact CD2-CG2 4.05Å; L9-V34 HydrophobicContact CG-CG2 3.91Å; L9-V34 WeakPolarHBondContact O-CG1 3.48Å; L9-V34 WeakPolarHBondContact O-CG2 3.19Å; A29-V34 HydrophobicContact CB-CB 3.8Å; A29-V34 HydrophobicContact CB-CG1 3.99Å; A29-V34 HydrophobicContact CB-CG2 4.2Å; A29-V34 WeakPolarHBondContact O-CB 3.34Å; A29-V34 PolarHBondContact O-N 3.02Å; V32-V34 HydrophobicContact CG2-CG2 3.85Å; V34-E36 WeakPolarHBondContact CG1-O 3.33Å; V34-V37 HydrophobicContact CG1-CG1 3.88Å; V34-L147 HydrophobicContact CG2-CD2 4.16Å |
| 35 | H | 87.2 | Confident | 86.1 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | trans | -96 | -43.5 | -178.4 | -178.3 | 45.2 | 0 | 0 | 0 | 113 | P7 V60 Q61 | P7-H35 HydrophobicContact CB-CB 4.18Å; H35-V60 WeakPolarHBondContact O-CA 3.45Å; H35-Q61 PolarHBondContact O-N 2.8Å | ||
| 36 | E | 90.9 | Very high | 85.1 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.6 | -179.9 | -179.6 | 166.3 | 97.2 | 0 | 0 | 109.2 | T10 V34 H38 Q61 K63 | T10-E36 WeakPolarHBondContact CB-O 3.34Å; T10-E36 PolarHBondContact OG1-O 3.17Å; V34-E36 WeakPolarHBondContact CG1-O 3.33Å; E36-H38 IonicContact OE1-CE1 3.39Å; E36-H38 PolarHBondContact OE1-CE1 3.14Å; E36-H38 VanDerWaalsContact OE1-CE1 3.23Å; E36-H38 IonicContact OE1-NE2 3.48Å; E36-H38 PolarHBondContact OE1-NE2 3.18Å; E36-H38 VanDerWaalsContact OE1-NE2 3.12Å; E36-Q61 CarbonylContact C-O 3.22Å; E36-Q61 VanDerWaalsContact CA-O 3.28Å; E36-Q61 WeakPolarHBondContact CA-O 3.31Å; E36-Q61 HydrophobicContact CB-CB 4.35Å; E36-Q61 HydrophobicContact CG-CB 4.3Å; E36-Q61 HydrophobicContact CG-CG 4.46Å; E36-Q61 PolarHBondContact OE2-NE2 3.22Å; E36-K63 HydrophobicContact CG-CB 4.06Å; E36-K63 WeakPolarHBondContact OE1-CD 3.49Å; E36-K63 IonicContact OE1-NZ 3.02Å |
| 37 | V | 93.4 | Very high | 84 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.7 | 167.7 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | V11 M13 I26 A29 V34 V60 Q61 V62 K63 | V11-V37 HydrophobicContact CB-CG1 4.43Å; M13-V37 HydrophobicContact CE-CB 4.42Å; M13-V37 HydrophobicContact CE-CG2 4.1Å; I26-V37 HydrophobicContact CG1-CG2 4.12Å; A29-V37 HydrophobicContact CB-CG1 3.66Å; V34-V37 HydrophobicContact CG1-CG1 3.88Å; V37-V60 HydrophobicContact CB-CG1 4.39Å; V37-V60 HydrophobicContact CG1-CG1 3.82Å; V37-V60 HydrophobicContact CG2-CG1 3.97Å; V37-Q61 PolarHBondContact N-O 3.34Å; V37-V62 HydrophobicContact CG2-CB 4.29Å; V37-V62 HydrophobicContact CG2-CG1 4.32Å; V37-V62 HydrophobicContact CG2-CG2 3.78Å; V37-V62 CarbonylContact O-C 3.58Å; V37-V62 WeakPolarHBondContact O-CA 3.22Å; V37-K63 PolarHBondContact O-N 3.08Å |
| 38 | H | 94.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.9 | -175.9 | -64 | -119 | 0 | 0 | 0 | 109.4 | T10 V11 C12 M13 E36 K63 H65 H74 | T10-H38 PolarHBondContact OG1-CD2 3.26Å; V11-H38 PolarHBondContact O-N 2.77Å; C12-H38 CarbonylContact C-O 3.56Å; C12-H38 WeakPolarHBondContact CA-O 3.41Å; C12-H38 HydrophobicContact CB-CB 4.02Å; M13-H38 PolarHBondContact N-O 3.29Å; E36-H38 IonicContact OE1-CE1 3.39Å; E36-H38 PolarHBondContact OE1-CE1 3.14Å; E36-H38 VanDerWaalsContact OE1-CE1 3.23Å; E36-H38 IonicContact OE1-NE2 3.48Å; E36-H38 PolarHBondContact OE1-NE2 3.18Å; E36-H38 VanDerWaalsContact OE1-NE2 3.12Å; H38-K63 CarbonylContact C-O 3.14Å; H38-K63 VanDerWaalsContact CA-O 3.32Å; H38-K63 WeakPolarHBondContact CA-O 3.39Å; H38-H65 AromaticContact CE1-NE2 3.78Å; H38-H65 AromaticContact CG-NE2 3.75Å; H38-H65 AromaticContact ND1-CD2 3.74Å; H38-H65 AromaticContact ND1-CE1 3.75Å; H38-H65 AromaticContact ND1-NE2 2.88Å; H38-H65 PolarHBondContact ND1-NE2 2.85Å; H38-H74 AromaticContact CE1-CD2 3.67Å |
| 39 | A | 92.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 120.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M13 M46 V62 K63 T64 H65 | M13-A39 HydrophobicContact CE-CB 4.35Å; M13-A39 WeakPolarHBondContact O-CA 3.31Å; A39-M46 HydrophobicContact CB-CE 3.65Å; A39-M46 HydrophobicContact CB-SD 4.14Å; A39-V62 HydrophobicContact CB-CG1 4.33Å; A39-K63 PolarHBondContact N-O 3.27Å; A39-T64 CarbonylContact O-C 3.57Å; A39-T64 VanDerWaalsContact O-CA 3.26Å; A39-T64 WeakPolarHBondContact O-CA 3.38Å; A39-H65 PolarHBondContact O-N 3.15Å |
| 40 | V | 91 | Very high | 79.3 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.3 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | M13 Q15 T67 I68 A71 | M13-V40 PolarHBondContact O-N 2.92Å; Q15-V40 PolarHBondContact N-O 3.41Å; V40-T67 VanDerWaalsContact CG1-C 3.5Å; V40-I68 HydrophobicContact CG1-CB 4.48Å; V40-I68 HydrophobicContact CG2-CB 4.19Å; V40-I68 HydrophobicContact CG2-CD1 3.69Å; V40-A71 HydrophobicContact CG2-CB 3.86Å |
| 41 | W | 83.6 | Confident | 77.1 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | trans | -141.1 | 92.4 | -173.3 | -139.1 | -77.1 | 0 | 0 | 0 | 112.2 | V16 V22 G43 S44 M46 H65 | V16-W41 WeakPolarHBondContact O-CH2 3.11Å; V16-W41 VanDerWaalsContact O-CZ3 3.25Å; V16-W41 WeakPolarHBondContact O-CZ3 3.37Å; V22-W41 HydrophobicContact CG2-CH2 4.21Å; V22-W41 HydrophobicContact CG2-CZ3 4.27Å; W41-G43 PolarHBondContact O-N 3.33Å; W41-S44 PolarHBondContact NE1-OG 3.23Å; W41-S44 VanDerWaalsContact NE1-OG 3.1Å; W41-M46 HydrophobicContact CD2-CB 4.21Å; W41-M46 HydrophobicContact CD2-CG 4.26Å; W41-M46 HydrophobicContact CE3-CB 4.3Å; W41-M46 HydrophobicContact CE3-CE 4.19Å; W41-M46 HydrophobicContact CE3-CG 3.9Å; W41-M46 HydrophobicContact CH2-CG 3.86Å; W41-M46 HydrophobicContact CZ2-CG 4.28Å; W41-M46 HydrophobicContact CZ3-CE 3.75Å; W41-M46 HydrophobicContact CZ3-CG 3.7Å; W41-H65 PolarHBondContact N-O 2.94Å | ||
| 42 | P | 69.6 | Low | 75.4 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -74.5 | 107.9 | 176 | 26.7 | -29.8 | 0 | 0 | 0 | 110.6 | ||
| 43 | G | 59.4 | Low | 73.7 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 88% | 0.876 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 87.2 | 10.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | W41 | W41-G43 PolarHBondContact O-N 3.33Š|
| 44 | S | 58.7 | Low | 72.1 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -147.1 | 157.2 | 169.5 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | W41 M46 | W41-S44 PolarHBondContact NE1-OG 3.23Å; W41-S44 VanDerWaalsContact NE1-OG 3.1Å; S44-M46 PolarHBondContact O-N 2.93Å |
| 45 | R | 65.4 | Low | 70.5 | Confident | 236 Ų | 236 | 58.9 Ų | 58.9 | 89% | 0.891 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 125.1 | 176.6 | -146.5 | 177.7 | -166.6 | 177 | 3.4 | 108.5 | R47 | R45-R47 PolarHBondContact O-N 2.98Š|
| 46 | M | 72.3 | Confident | 69.3 | Low | 33 Ų | 33 | 58 Ų | 58 | 16% | 0.163 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 131.4 | 172 | -170.7 | -166.9 | -147.4 | 0 | 0 | 109.7 | M13 V22 A39 W41 S44 V62 | M13-M46 HydrophobicContact CE-CE 3.67Å; M13-M46 HydrophobicContact SD-CE 4.2Å; V22-M46 HydrophobicContact CB-CE 4.15Å; V22-M46 HydrophobicContact CG1-CE 3.2Å; V22-M46 HydrophobicContact CG1-CG 4.4Å; V22-M46 HydrophobicContact CG1-SD 3.95Å; V22-M46 HydrophobicContact CG2-CE 3.83Å; A39-M46 HydrophobicContact CB-CE 3.65Å; A39-M46 HydrophobicContact CB-SD 4.14Å; W41-M46 HydrophobicContact CD2-CB 4.21Å; W41-M46 HydrophobicContact CD2-CG 4.26Å; W41-M46 HydrophobicContact CE3-CB 4.3Å; W41-M46 HydrophobicContact CE3-CE 4.19Å; W41-M46 HydrophobicContact CE3-CG 3.9Å; W41-M46 HydrophobicContact CH2-CG 3.86Å; W41-M46 HydrophobicContact CZ2-CG 4.28Å; W41-M46 HydrophobicContact CZ3-CE 3.75Å; W41-M46 HydrophobicContact CZ3-CG 3.7Å; S44-M46 PolarHBondContact O-N 2.93Å; M46-V62 HydrophobicContact SD-CG1 3.87Å |
| 47 | R | 69.8 | Low | 67.9 | Low | 193 Ų | 193 | 60 Ų | 60 | 73% | 0.728 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -102.2 | 131.6 | 176.5 | -68.6 | -175 | 179.6 | -174.5 | -0.3 | 109.5 | P19 R45 | P19-R47 HydrophobicContact CB-CB 4.36Å; P19-R47 WeakPolarHBondContact CB-O 3.41Å; P19-R47 HydrophobicContact CG-CB 3.98Å; R45-R47 PolarHBondContact O-N 2.98Å |
| 48 | T | 64.3 | Low | 66.4 | Low | 58 Ų | 58 | 63.5 Ų | 63.5 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | trans | -118 | 148.5 | 172.8 | 58.9 | 0 | 0 | 0 | 0 | 109.5 | V22 I26 | V22-T48 HydrophobicContact CG1-CG2 3.88Å; I26-T48 HydrophobicContact CD1-CG2 4.16Å | ||
| 49 | M | 60.4 | Low | 65.4 | Low | 86 Ų | 86 | 67.3 Ų | 67.3 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | trans | -91.9 | 121.2 | 166.6 | -75.5 | -176.3 | 72.6 | 0 | 0 | 110.8 | P19 H20 S23 S51 A52 A53 | P19-M49 HydrophobicContact CB-CG 3.98Å; H20-M49 HydrophobicContact CB-SD 4.33Å; S23-M49 PolarHBondContact OG-N 3.3Å; S23-M49 PolarHBondContact OG-O 3.35Å; M49-S51 VanDerWaalsContact C-N 3.34Å; M49-S51 PolarHBondContact O-N 3.42Å; M49-A52 HydrophobicContact CB-CB 4.11Å; M49-A52 PolarHBondContact O-N 3.32Å; M49-A53 PolarHBondContact O-N 3.03Å; M49-A53 VanDerWaalsContact O-N 3.12Å | ||
| 50 | A | 53.2 | Low | 65 | Low | 85 Ų | 85 | 67.5 Ų | 67.5 | 70% | 0.702 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A52 A53 A54 | A50-A52 VanDerWaalsContact C-N 3.31Å; A50-A52 PolarHBondContact O-N 3.48Å; A50-A53 PolarHBondContact O-N 2.88Å; A50-A54 PolarHBondContact O-N 2.95Å |
| 51 | S | 46.3 | Very low | 64.6 | Low | 95 Ų | 95 | 71 Ų | 71 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.1 | -37.7 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | M49 | M49-S51 VanDerWaalsContact C-N 3.34Å; M49-S51 PolarHBondContact O-N 3.42Å |
| 52 | A | 55.8 | Low | 64.8 | Low | 16 Ų | 16 | 72 Ų | 72 | 13% | 0.132 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -76.8 | -30.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S23 R27 M49 A50 | S23-A52 VanDerWaalsContact CB-CB 3.47Å; R27-A52 VanDerWaalsContact CD-O 3.27Å; R27-A52 WeakPolarHBondContact CD-O 3.42Å; M49-A52 HydrophobicContact CB-CB 4.11Å; M49-A52 PolarHBondContact O-N 3.32Å; A50-A52 VanDerWaalsContact C-N 3.31Å; A50-A52 PolarHBondContact O-N 3.48Å |
| 53 | A | 57.6 | Low | 65.8 | Low | 2 Ų | 2 | 71.5 Ų | 71.5 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -75.6 | -24.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M49 A50 G55 S56 | M49-A53 PolarHBondContact O-N 3.03Å; M49-A53 VanDerWaalsContact O-N 3.12Å; A50-A53 PolarHBondContact O-N 2.88Å; A53-G55 PolarHBondContact O-N 3.23Å; A53-S56 VanDerWaalsContact O-CB 3.28Å; A53-S56 WeakPolarHBondContact O-CB 3.48Å; A53-S56 PolarHBondContact O-N 3.47Å; A53-S56 PolarHBondContact O-OG 3.21Å |
| 54 | A | 55.5 | Low | 67.2 | Low | 67 Ų | 67 | 71.9 Ų | 71.9 | 55% | 0.554 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A50 S56 | A50-A54 PolarHBondContact O-N 2.95Å; A54-S56 PolarHBondContact O-N 3.19Å |
| 55 | G | 59.5 | Low | 68.7 | Low | 43 Ų | 43 | 69.1 Ų | 69.1 | 44% | 0.443 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -10.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | A53 N57 S58 | A53-G55 PolarHBondContact O-N 3.23Å; G55-N57 PolarHBondContact O-N 2.92Å; G55-S58 WeakPolarHBondContact O-CB 3.37Å; G55-S58 PolarHBondContact O-N 2.64Å; G55-S58 PolarHBondContact O-OG 3.24Å |
| 56 | S | 61.3 | Low | 69.8 | Low | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -59.9 | -27 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | D30 A53 A54 S58 W59 V60 | D30-S56 WeakPolarHBondContact OD2-CB 3.32Å; A53-S56 VanDerWaalsContact O-CB 3.28Å; A53-S56 WeakPolarHBondContact O-CB 3.48Å; A53-S56 PolarHBondContact O-N 3.47Å; A53-S56 PolarHBondContact O-OG 3.21Å; A54-S56 PolarHBondContact O-N 3.19Å; S56-S58 PolarHBondContact O-N 2.68Å; S56-W59 PolarHBondContact O-N 2.91Å; S56-V60 PolarHBondContact O-N 3.36Å; S56-V60 VanDerWaalsContact O-N 3.13Å |
| 57 | N | 61.4 | Low | 70.7 | Confident | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.353 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -58.8 | -15.8 | 174.7 | -74.3 | 2.7 | 0 | 0 | 0 | 113.7 | G55 | G55-N57 PolarHBondContact O-N 2.92Š|
| 58 | S | 62.9 | Low | 71.8 | Confident | 74 Ų | 74 | 60 Ų | 60 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -83.1 | -14.9 | 176.5 | -38 | 0 | 0 | 0 | 0 | 112.6 | G55 S56 | G55-S58 WeakPolarHBondContact O-CB 3.37Å; G55-S58 PolarHBondContact O-N 2.64Å; G55-S58 PolarHBondContact O-OG 3.24Å; S56-S58 PolarHBondContact O-N 2.68Å |
| 59 | W | 74.1 | Confident | 73.2 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -19.4 | -169.5 | -55.6 | 105.6 | 0 | 0 | 0 | 114.5 | L2 S56 | L2-W59 HydrophobicContact CD2-CE3 4.06Å; L2-W59 HydrophobicContact CD2-CZ3 4.13Å; S56-W59 PolarHBondContact O-N 2.91Å |
| 60 | V | 82.7 | Confident | 74.7 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -110.8 | 120 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | I26 D30 H35 V37 S56 | I26-V60 HydrophobicContact CG2-CB 4.13Å; I26-V60 HydrophobicContact CG2-CG1 4.39Å; D30-V60 HydrophobicContact CB-CG2 3.54Å; H35-V60 WeakPolarHBondContact O-CA 3.45Å; V37-V60 HydrophobicContact CB-CG1 4.39Å; V37-V60 HydrophobicContact CG1-CG1 3.82Å; V37-V60 HydrophobicContact CG2-CG1 3.97Å; S56-V60 PolarHBondContact O-N 3.36Å; S56-V60 VanDerWaalsContact O-N 3.13Å |
| 61 | Q | 83.1 | Confident | 76.6 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 130.9 | 176.6 | -176.1 | 164.9 | -53.5 | 0 | 0 | 109.7 | H35 E36 V37 | H35-Q61 PolarHBondContact O-N 2.8Å; E36-Q61 CarbonylContact C-O 3.22Å; E36-Q61 VanDerWaalsContact CA-O 3.28Å; E36-Q61 WeakPolarHBondContact CA-O 3.31Å; E36-Q61 HydrophobicContact CB-CB 4.35Å; E36-Q61 HydrophobicContact CG-CB 4.3Å; E36-Q61 HydrophobicContact CG-CG 4.46Å; E36-Q61 PolarHBondContact OE2-NE2 3.22Å; V37-Q61 PolarHBondContact N-O 3.34Å |
| 62 | V | 88.1 | Confident | 78.9 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.7 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 109 | I26 V37 A39 M46 | I26-V62 HydrophobicContact CD1-CG2 3.82Å; I26-V62 HydrophobicContact CG1-CG2 4.3Å; V37-V62 HydrophobicContact CG2-CB 4.29Å; V37-V62 HydrophobicContact CG2-CG1 4.32Å; V37-V62 HydrophobicContact CG2-CG2 3.78Å; V37-V62 CarbonylContact O-C 3.58Å; V37-V62 WeakPolarHBondContact O-CA 3.22Å; A39-V62 HydrophobicContact CB-CG1 4.33Å; M46-V62 HydrophobicContact SD-CG1 3.87Å |
| 63 | K | 88.9 | Confident | 80.7 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.8 | 177.5 | -168 | 171.2 | -172.8 | 168 | 0 | 111.1 | E36 V37 H38 A39 H65 H74 | E36-K63 HydrophobicContact CG-CB 4.06Å; E36-K63 WeakPolarHBondContact OE1-CD 3.49Å; E36-K63 IonicContact OE1-NZ 3.02Å; V37-K63 PolarHBondContact O-N 3.08Å; H38-K63 CarbonylContact C-O 3.14Å; H38-K63 VanDerWaalsContact CA-O 3.32Å; H38-K63 WeakPolarHBondContact CA-O 3.39Å; A39-K63 PolarHBondContact N-O 3.27Å; K63-H65 PolarHBondContact O-CD2 3.39Å; K63-H74 PolarHBondContact NZ-CE1 2.89Å; K63-H74 PolarHBondContact NZ-NE2 3.4Å |
| 64 | T | 89.7 | Confident | 82.4 | Confident | 93 Ų | 93 | 55 Ų | 55 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.8 | 179 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | A39 | A39-T64 CarbonylContact O-C 3.57Å; A39-T64 VanDerWaalsContact O-CA 3.26Å; A39-T64 WeakPolarHBondContact O-CA 3.38Å |
| 65 | H | 90.7 | Very high | 84.3 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.3 | 175.3 | -60.4 | -90.2 | 0 | 0 | 0 | 110.1 | H38 A39 W41 K63 D70 A71 | H38-H65 AromaticContact CE1-NE2 3.78Å; H38-H65 AromaticContact CG-NE2 3.75Å; H38-H65 AromaticContact ND1-CD2 3.74Å; H38-H65 AromaticContact ND1-CE1 3.75Å; H38-H65 AromaticContact ND1-NE2 2.88Å; H38-H65 PolarHBondContact ND1-NE2 2.85Å; A39-H65 PolarHBondContact O-N 3.15Å; W41-H65 PolarHBondContact N-O 2.94Å; K63-H65 PolarHBondContact O-CD2 3.39Å; H65-D70 HydrophobicContact CB-CB 4.48Å; H65-A71 HydrophobicContact CB-CB 3.8Å |
| 66 | R | 87.7 | Confident | 85.9 | Confident | 205 Ų | 205 | 53.7 Ų | 53.7 | 77% | 0.774 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -77.2 | -40.8 | -179.1 | -69.6 | -177.9 | 179 | 174 | 0.7 | 111.9 | ||
| 67 | T | 91.4 | Very high | 87.4 | Confident | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -129.4 | 162.6 | -179.7 | 68.4 | 0 | 0 | 0 | 0 | 110.4 | V40 G69 D70 A71 | V40-T67 VanDerWaalsContact CG1-C 3.5Å; T67-G69 VanDerWaalsContact C-N 3.34Å; T67-D70 PolarHBondContact N-OD2 2.93Å; T67-D70 PolarHBondContact O-N 3.02Å; T67-D70 PolarHBondContact OG1-N 3.02Å; T67-D70 VanDerWaalsContact OG1-N 3.14Å; T67-D70 PolarHBondContact OG1-OD2 3.02Å; T67-A71 PolarHBondContact O-N 2.97Å |
| 68 | I | 93.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70 | -35 | 175.2 | -173.5 | 62.3 | 0 | 0 | 0 | 111.6 | V40 D70 A71 V72 L106 E117 A118 | V40-I68 HydrophobicContact CG1-CB 4.48Å; V40-I68 HydrophobicContact CG2-CB 4.19Å; V40-I68 HydrophobicContact CG2-CD1 3.69Å; I68-D70 VanDerWaalsContact C-N 3.32Å; I68-D70 PolarHBondContact O-N 2.84Å; I68-A71 HydrophobicContact CD1-CB 4.39Å; I68-A71 PolarHBondContact O-N 3.09Å; I68-A71 VanDerWaalsContact O-N 3.17Å; I68-V72 HydrophobicContact CD1-CG2 3.96Å; I68-V72 HydrophobicContact CG1-CG2 4.06Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.45Å; I68-L106 HydrophobicContact CD1-CD1 3.57Å; I68-L106 HydrophobicContact CD1-CD2 4.31Å; I68-E117 HydrophobicContact CG2-CB 4.33Å; I68-E117 HydrophobicContact CG2-CG 3.89Å; I68-A118 HydrophobicContact CG1-CB 3.74Å; I68-A118 HydrophobicContact CG2-CB 4.36Å |
| 69 | G | 93.1 | Very high | 90.2 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.9 | -46.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T67 A71 A73 | T67-G69 VanDerWaalsContact C-N 3.34Å; G69-A71 PolarHBondContact O-N 2.77Å; G69-A73 WeakPolarHBondContact O-CB 3.43Å; G69-A73 PolarHBondContact O-N 3.11Å |
| 70 | D | 92.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.1 | -62.6 | -37.4 | 0 | 0 | 0 | 111.9 | H65 T67 I68 H74 | H65-D70 HydrophobicContact CB-CB 4.48Å; T67-D70 PolarHBondContact N-OD2 2.93Å; T67-D70 PolarHBondContact O-N 3.02Å; T67-D70 PolarHBondContact OG1-N 3.02Å; T67-D70 VanDerWaalsContact OG1-N 3.14Å; T67-D70 PolarHBondContact OG1-OD2 3.02Å; I68-D70 VanDerWaalsContact C-N 3.32Å; I68-D70 PolarHBondContact O-N 2.84Å; D70-H74 VanDerWaalsContact O-CB 3.28Å; D70-H74 WeakPolarHBondContact O-CB 3.3Å; D70-H74 PolarHBondContact O-N 3.38Å |
| 71 | A | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -49.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V40 H65 T67 I68 G69 H74 L75 | V40-A71 HydrophobicContact CG2-CB 3.86Å; H65-A71 HydrophobicContact CB-CB 3.8Å; T67-A71 PolarHBondContact O-N 2.97Å; I68-A71 HydrophobicContact CD1-CB 4.39Å; I68-A71 PolarHBondContact O-N 3.09Å; I68-A71 VanDerWaalsContact O-N 3.17Å; G69-A71 PolarHBondContact O-N 2.77Å; A71-H74 WeakPolarHBondContact O-CB 3.49Å; A71-H74 PolarHBondContact O-N 2.81Å; A71-L75 WeakPolarHBondContact O-CD1 3.35Å; A71-L75 VanDerWaalsContact O-CG 3.24Å; A71-L75 WeakPolarHBondContact O-CG 3.33Å; A71-L75 PolarHBondContact O-N 3.33Å |
| 72 | V | 94.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -41.7 | -178.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I68 H74 L75 K76 I82 L121 | I68-V72 HydrophobicContact CD1-CG2 3.96Å; I68-V72 HydrophobicContact CG1-CG2 4.06Å; I68-V72 WeakPolarHBondContact O-CG2 3.31Å; I68-V72 PolarHBondContact O-N 3.45Å; V72-H74 VanDerWaalsContact C-N 3.28Å; V72-H74 PolarHBondContact O-N 2.79Å; V72-L75 PolarHBondContact O-N 3Å; V72-K76 HydrophobicContact CG1-CD 4.02Å; V72-K76 HydrophobicContact CG1-CG 4.13Å; V72-K76 WeakPolarHBondContact O-CB 3.29Å; V72-K76 WeakPolarHBondContact O-CG 3.36Å; V72-K76 PolarHBondContact O-N 3.02Å; V72-I82 HydrophobicContact CG1-CG1 4.02Å; V72-I82 HydrophobicContact CG2-CG2 4.39Å; V72-L121 HydrophobicContact CB-CB 4.34Å; V72-L121 HydrophobicContact CB-CD1 4.37Å; V72-L121 HydrophobicContact CG1-CB 3.93Å; V72-L121 HydrophobicContact CG2-CB 4.31Å; V72-L121 HydrophobicContact CG2-CD1 4.49Å |
| 73 | A | 94.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 55% | 0.554 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G69 G77 | G69-A73 WeakPolarHBondContact O-CB 3.43Å; G69-A73 PolarHBondContact O-N 3.11Å; A73-G77 PolarHBondContact O-N 3.35Å |
| 74 | H | 93.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.6 | -178.8 | 69.1 | 0 | 0 | 0 | 112.3 | H38 K63 D70 A71 V72 G77 Q78 | H38-H74 AromaticContact CE1-CD2 3.67Å; K63-H74 PolarHBondContact NZ-CE1 2.89Å; K63-H74 PolarHBondContact NZ-NE2 3.4Å; D70-H74 VanDerWaalsContact O-CB 3.28Å; D70-H74 WeakPolarHBondContact O-CB 3.3Å; D70-H74 PolarHBondContact O-N 3.38Å; A71-H74 WeakPolarHBondContact O-CB 3.49Å; A71-H74 PolarHBondContact O-N 2.81Å; V72-H74 VanDerWaalsContact C-N 3.28Å; V72-H74 PolarHBondContact O-N 2.79Å; H74-G77 PolarHBondContact O-N 3.36Å; H74-Q78 PolarHBondContact NE2-NE2 3.27Å; H74-Q78 PolarHBondContact O-N 3.35Å |
| 75 | L | 94.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | -178.5 | -70.3 | 162.9 | 0 | 0 | 0 | 112.6 | T10 C12 A71 V72 G77 Q78 G79 M80 I82 C104 | T10-L75 HydrophobicContact CG2-CD2 3.68Å; C12-L75 HydrophobicContact CB-CD1 4.23Å; A71-L75 WeakPolarHBondContact O-CD1 3.35Å; A71-L75 VanDerWaalsContact O-CG 3.24Å; A71-L75 WeakPolarHBondContact O-CG 3.33Å; A71-L75 PolarHBondContact O-N 3.33Å; V72-L75 PolarHBondContact O-N 3Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.14Å; L75-Q78 WeakPolarHBondContact O-CA 3.46Å; L75-Q78 WeakPolarHBondContact O-CB 3.19Å; L75-Q78 PolarHBondContact O-N 2.83Å; L75-G79 PolarHBondContact O-N 2.83Å; L75-M80 HydrophobicContact CB-SD 4.44Å; L75-M80 HydrophobicContact CD2-CE 4.32Å; L75-M80 HydrophobicContact CD2-SD 3.46Å; L75-M80 WeakPolarHBondContact CD2-SD 3.26Å; L75-M80 PolarHBondContact O-N 3.39Å; L75-I82 HydrophobicContact CB-CD1 3.7Å; L75-I82 HydrophobicContact CD1-CD1 4.34Å; L75-C104 HydrophobicContact CD1-CB 4.11Å; L75-C104 VanDerWaalsContact CD1-SG 3.54Å; L75-C104 HydrophobicContact CD2-CB 4.44Å |
| 76 | K | 94.2 | Very high | 93.3 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -34.4 | 172.9 | -74.6 | -168.9 | 171.6 | -171.2 | 0 | 111.8 | V72 Q78 G79 I82 L121 D123 | V72-K76 HydrophobicContact CG1-CD 4.02Å; V72-K76 HydrophobicContact CG1-CG 4.13Å; V72-K76 WeakPolarHBondContact O-CB 3.29Å; V72-K76 WeakPolarHBondContact O-CG 3.36Å; V72-K76 PolarHBondContact O-N 3.02Å; K76-Q78 PolarHBondContact O-N 2.87Å; K76-G79 PolarHBondContact O-N 3.21Å; K76-I82 HydrophobicContact CD-CG1 4.37Å; K76-I82 HydrophobicContact CG-CD1 4.28Å; K76-I82 HydrophobicContact CG-CG1 3.82Å; K76-L121 WeakPolarHBondContact CE-O 3.3Å; K76-L121 PolarHBondContact NZ-O 3.15Å; K76-D123 VanDerWaalsContact CE-OD1 3.23Å; K76-D123 WeakPolarHBondContact CE-OD1 3.22Å; K76-D123 WeakPolarHBondContact CE-OD2 3.32Å; K76-D123 IonicContact NZ-OD1 3.67Å; K76-D123 PolarHBondContact NZ-OD1 3.44Å; K76-D123 IonicContact NZ-OD2 3.77Å |
| 77 | G | 92.3 | Very high | 93.2 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 73% | 0.732 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.4 | -22 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A73 H74 L75 | A73-G77 PolarHBondContact O-N 3.35Å; H74-G77 PolarHBondContact O-N 3.36Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.14Å |
| 78 | Q | 90.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.1 | 172.7 | -64.7 | 176.9 | -27.9 | 0 | 0 | 113 | H74 L75 K76 M80 | H74-Q78 PolarHBondContact NE2-NE2 3.27Å; H74-Q78 PolarHBondContact O-N 3.35Å; L75-Q78 WeakPolarHBondContact O-CA 3.46Å; L75-Q78 WeakPolarHBondContact O-CB 3.19Å; L75-Q78 PolarHBondContact O-N 2.83Å; K76-Q78 PolarHBondContact O-N 2.87Å; Q78-M80 VanDerWaalsContact C-N 3.34Å; Q78-M80 HydrophobicContact CB-CG 4.43Å |
| 79 | G | 93.1 | Very high | 92.2 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 57% | 0.567 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 16.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L75 K76 | L75-G79 PolarHBondContact O-N 2.83Å; K76-G79 PolarHBondContact O-N 3.21Å |
| 80 | M | 94 | Very high | 91.9 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | trans | -79.8 | 136.1 | 178.3 | -62.7 | -175.3 | -178.4 | 0 | 0 | 112.1 | P7 T10 L75 Q78 I82 P102 C104 | P7-M80 WeakPolarHBondContact O-CE 3.39Å; T10-M80 HydrophobicContact CG2-CE 4.07Å; T10-M80 HydrophobicContact CG2-SD 3.54Å; T10-M80 VanDerWaalsContact CG2-SD 3.54Å; L75-M80 HydrophobicContact CB-SD 4.44Å; L75-M80 HydrophobicContact CD2-CE 4.32Å; L75-M80 HydrophobicContact CD2-SD 3.46Å; L75-M80 WeakPolarHBondContact CD2-SD 3.26Å; L75-M80 PolarHBondContact O-N 3.39Å; Q78-M80 VanDerWaalsContact C-N 3.34Å; Q78-M80 HydrophobicContact CB-CG 4.43Å; M80-I82 HydrophobicContact CB-CD1 4.42Å; M80-P102 WeakPolarHBondContact CA-O 3.5Å; M80-P102 HydrophobicContact CB-CB 4.49Å; M80-P102 HydrophobicContact CG-CB 4.03Å; M80-C104 HydrophobicContact SD-CB 4.33Å | ||
| 81 | Q | 96.2 | Very high | 91.7 | Very high | 40 Ų | 40 | 49 Ų | 49 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136.8 | 162.9 | 73.1 | -173.2 | -27 | 0 | 0 | 109.6 | L83 D98 P102 T103 C104 D123 | Q81-L83 HydrophobicContact CG-CD2 4.34Å; Q81-L83 HydrophobicContact CG-CG 4.32Å; Q81-D98 PolarHBondContact NE2-O 3.37Å; Q81-P102 WeakPolarHBondContact CG-O 3.35Å; Q81-P102 PolarHBondContact N-O 3.24Å; Q81-T103 HydrophobicContact CG-CG2 3.96Å; Q81-T103 PolarHBondContact NE2-OG1 3.28Å; Q81-T103 WeakPolarHBondContact O-CA 3.42Å; Q81-C104 PolarHBondContact O-N 2.88Å; Q81-D123 WeakPolarHBondContact CA-OD2 3.33Å |
| 82 | I | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.2 | -177.2 | -49.1 | -58.1 | 0 | 0 | 0 | 109.1 | V72 L75 K76 M80 C104 L106 A122 D123 Q124 | V72-I82 HydrophobicContact CG1-CG1 4.02Å; V72-I82 HydrophobicContact CG2-CG2 4.39Å; L75-I82 HydrophobicContact CB-CD1 3.7Å; L75-I82 HydrophobicContact CD1-CD1 4.34Å; K76-I82 HydrophobicContact CD-CG1 4.37Å; K76-I82 HydrophobicContact CG-CD1 4.28Å; K76-I82 HydrophobicContact CG-CG1 3.82Å; M80-I82 HydrophobicContact CB-CD1 4.42Å; I82-C104 HydrophobicContact CD1-CB 3.68Å; I82-L106 HydrophobicContact CG2-CB 4.4Å; I82-L106 HydrophobicContact CG2-CD2 4.35Å; I82-A122 HydrophobicContact CG2-CB 4.34Å; I82-D123 PolarHBondContact N-OD2 3.15Å; I82-D123 PolarHBondContact O-N 2.74Å; I82-Q124 PolarHBondContact O-N 2.97Å |
| 83 | L | 96.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115.1 | -178 | -54.7 | 175 | 0 | 0 | 0 | 110.1 | Q81 I97 Y99 T103 C104 L106 Q124 I126 | Q81-L83 HydrophobicContact CG-CD2 4.34Å; Q81-L83 HydrophobicContact CG-CG 4.32Å; L83-I97 HydrophobicContact CD1-CG2 3.64Å; L83-I97 HydrophobicContact CD2-CG2 4.39Å; L83-Y99 HydrophobicContact CD1-CD1 4.25Å; L83-Y99 HydrophobicContact CD1-CE1 3.63Å; L83-T103 HydrophobicContact CD1-CG2 3.39Å; L83-T103 HydrophobicContact CG-CG2 3.97Å; L83-C104 PolarHBondContact N-O 3.21Å; L83-L106 PolarHBondContact O-N 3.43Å; L83-Q124 WeakPolarHBondContact CA-O 3.47Å; L83-Q124 HydrophobicContact CD2-CB 3.93Å; L83-I126 HydrophobicContact CB-CD1 4.02Å; L83-I126 HydrophobicContact CB-CG1 4.34Å; L83-I126 HydrophobicContact CB-CG2 4.22Å; L83-I126 HydrophobicContact CD2-CG2 4.34Å |
| 84 | A | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H86 I114 L119 A122 Q124 D125 I126 | A84-H86 PolarHBondContact O-N 3.01Å; A84-H86 VanDerWaalsContact O-N 3.09Å; A84-I114 HydrophobicContact CB-CD1 3.7Å; A84-L119 HydrophobicContact CB-CD2 3.88Å; A84-A122 HydrophobicContact CB-CB 3.6Å; A84-Q124 PolarHBondContact N-O 3.45Å; A84-D125 WeakPolarHBondContact O-CA 3.45Å; A84-I126 PolarHBondContact O-N 3.46Å |
| 85 | T | 93.2 | Very high | 91.8 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 94.1 | 171.6 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | I105 L106 M107 I114 I126 I146 | T85-I105 HydrophobicContact CG2-CG2 3.95Å; T85-L106 PolarHBondContact N-O 3.35Å; T85-L106 VanDerWaalsContact N-O 3.14Å; T85-L106 PolarHBondContact OG1-O 3.27Å; T85-M107 HydrophobicContact CG2-CE 4.15Å; T85-M107 HydrophobicContact CG2-SD 3.49Å; T85-M107 WeakPolarHBondContact CG2-SD 3.44Å; T85-I114 WeakPolarHBondContact O-CD1 3.41Å; T85-I126 WeakPolarHBondContact CA-O 3.27Å; T85-I126 HydrophobicContact CG2-CD1 4.08Å; T85-I126 HydrophobicContact CG2-CG1 4.06Å; T85-I146 HydrophobicContact CG2-CD1 3.41Å; T85-I146 VanDerWaalsContact CG2-CD1 3.41Å |
| 86 | H | 89.9 | Confident | 91.9 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | trans | -137.4 | 145.7 | -174.8 | -171.4 | 56.8 | 0 | 0 | 0 | 112.3 | A84 S88 L119 D125 I126 | A84-H86 PolarHBondContact O-N 3.01Å; A84-H86 VanDerWaalsContact O-N 3.09Å; H86-S88 PolarHBondContact O-N 3.46Å; H86-L119 HydrophobicContact CB-CD2 3.5Å; H86-L119 VanDerWaalsContact CB-CD2 3.5Å; H86-L119 VanDerWaalsContact CG-CD2 3.49Å; H86-D125 IonicContact CD2-OD2 3.98Å; H86-I126 PolarHBondContact N-O 2.94Å | ||
| 87 | L | 85.7 | Confident | 91.9 | Very high | 86 Ų | 86 | 57 Ų | 57 | 45% | 0.45 | 32% | 0.319 | S | S | . | . | trans | -88.9 | 90.2 | 176.4 | -63.3 | 171.4 | 0 | 0 | 0 | 108.4 | I127 Q135 | L87-I127 HydrophobicContact CD2-CD1 3.57Å; L87-I127 HydrophobicContact CD2-CG1 3.92Å; L87-Q135 HydrophobicContact CD1-CB 3.96Å; L87-Q135 WeakPolarHBondContact CD1-O 3.45Å; L87-Q135 WeakPolarHBondContact CD2-O 3.49Å | ||
| 88 | S | 82.7 | Confident | 92.1 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | trans | -128.5 | 153.4 | 172.5 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | H86 N90 A91 D125 | H86-S88 PolarHBondContact O-N 3.46Å; S88-N90 PolarHBondContact O-N 3.34Å; S88-N90 VanDerWaalsContact O-N 3.12Å; S88-A91 WeakPolarHBondContact O-CB 3.44Å; S88-A91 PolarHBondContact O-N 2.94Å; S88-A91 PolarHBondContact OG-N 3.46Å; S88-D125 PolarHBondContact OG-OD2 2.94Å | ||
| 89 | D | 80.8 | Confident | 92.3 | Very high | 174 Ų | 174 | 51.8 Ų | 51.8 | 93% | 0.93 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.3 | 177.9 | -64.3 | -26.4 | 0 | 0 | 0 | 112.7 | ||
| 90 | N | 86.9 | Confident | 92.3 | Very high | 147 Ų | 147 | 51.7 Ų | 51.7 | 79% | 0.786 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.5 | 178.6 | -63 | -30.3 | 0 | 0 | 0 | 113.2 | S88 | S88-N90 PolarHBondContact O-N 3.34Å; S88-N90 VanDerWaalsContact O-N 3.12Å |
| 91 | A | 89.4 | Confident | 92.3 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 134.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | S88 D125 I127 | S88-A91 WeakPolarHBondContact O-CB 3.44Å; S88-A91 PolarHBondContact O-N 2.94Å; S88-A91 PolarHBondContact OG-N 3.46Å; A91-D125 WeakPolarHBondContact CA-O 3.48Å; A91-D125 HydrophobicContact CB-CB 3.97Å; A91-I127 HydrophobicContact CB-CB 3.72Å; A91-I127 HydrophobicContact CB-CG2 3.86Å |
| 92 | V | 93.5 | Very high | 92.3 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 143.5 | 179.5 | 176 | 0 | 0 | 0 | 0 | 109.8 | F94 E96 I97 D125 I126 I127 | V92-F94 PolarHBondContact O-N 3.29Å; V92-E96 HydrophobicContact CG1-CB 3.96Å; V92-I97 HydrophobicContact CB-CD1 4.26Å; V92-I97 HydrophobicContact CG1-CD1 3.99Å; V92-D125 PolarHBondContact N-O 3.24Å; V92-I126 CarbonylContact O-C 3.59Å; V92-I126 VanDerWaalsContact O-CA 3.28Å; V92-I126 WeakPolarHBondContact O-CA 3.49Å; V92-I127 PolarHBondContact O-N 3.31Å |
| 93 | D | 94.1 | Very high | 92.3 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 126.9 | 174.7 | -171 | -45.9 | 0 | 0 | 0 | 109.5 | R95 E96 P129 | D93-R95 PolarHBondContact O-N 2.99Å; D93-R95 WeakPolarHBondContact OD1-CB 3.42Å; D93-R95 WeakPolarHBondContact OD1-CG 3.3Å; D93-R95 IonicContact OD1-CZ 3.35Å; D93-R95 PolarHBondContact OD1-N 2.86Å; D93-R95 IonicContact OD1-NE 3.73Å; D93-R95 PolarHBondContact OD1-NE 3.19Å; D93-R95 IonicContact OD1-NH2 2.65Å; D93-R95 IonicContact OD2-CZ 2.91Å; D93-R95 IonicContact OD2-NE 3.87Å; D93-R95 PolarHBondContact OD2-NE 3.06Å; D93-R95 IonicContact OD2-NH2 3.1Å; D93-R95 PolarHBondContact OD2-NH2 3.36Å; D93-E96 HydrophobicContact CB-CG 4.14Å; D93-E96 PolarHBondContact O-N 3.16Å; D93-P129 WeakPolarHBondContact OD2-CG 3.36Å |
| 94 | F | 95 | Very high | 92.3 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -54.9 | -22.4 | -177.2 | 81.9 | -77.2 | 0 | 0 | 0 | 113.2 | V92 Y99 I126 I127 I128 L145 I146 E149 | V92-F94 PolarHBondContact O-N 3.29Å; F94-Y99 WeakPolarHBondContact O-CE2 3Å; F94-Y99 VanDerWaalsContact O-CZ 3.31Å; F94-Y99 PolarHBondContact O-OH 3.39Å; F94-I126 HydrophobicContact CB-CD1 4.4Å; F94-I127 PolarHBondContact N-O 2.99Å; F94-I128 HydrophobicContact CD1-CB 4.26Å; F94-I128 HydrophobicContact CD1-CG1 3.89Å; F94-I128 HydrophobicContact CD1-CG2 4.39Å; F94-I128 HydrophobicContact CE1-CB 4.42Å; F94-I128 HydrophobicContact CE1-CG1 4.22Å; F94-I128 HydrophobicContact CE1-CG2 4.06Å; F94-I128 HydrophobicContact CG-CG1 4.25Å; F94-L145 HydrophobicContact CE2-CB 4.5Å; F94-I146 HydrophobicContact CB-CG1 4.24Å; F94-I146 HydrophobicContact CD2-CB 4.38Å; F94-I146 HydrophobicContact CD2-CG1 3.93Å; F94-I146 HydrophobicContact CG-CG1 4.24Å; F94-E149 HydrophobicContact CD2-CB 4.14Å; F94-E149 HydrophobicContact CD2-CG 4.26Å; F94-E149 HydrophobicContact CE2-CB 3.79Å; F94-E149 HydrophobicContact CE2-CG 4.15Å |
| 95 | R | 94.8 | Very high | 92.4 | Very high | 134 Ų | 134 | 58.5 Ų | 58.5 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -78 | -17.4 | 178.9 | -61.5 | 170.5 | -69.4 | 176.1 | 3.4 | 113.9 | D93 | D93-R95 PolarHBondContact O-N 2.99Å; D93-R95 WeakPolarHBondContact OD1-CB 3.42Å; D93-R95 WeakPolarHBondContact OD1-CG 3.3Å; D93-R95 IonicContact OD1-CZ 3.35Å; D93-R95 PolarHBondContact OD1-N 2.86Å; D93-R95 IonicContact OD1-NE 3.73Å; D93-R95 PolarHBondContact OD1-NE 3.19Å; D93-R95 IonicContact OD1-NH2 2.65Å; D93-R95 IonicContact OD2-CZ 2.91Å; D93-R95 IonicContact OD2-NE 3.87Å; D93-R95 PolarHBondContact OD2-NE 3.06Å; D93-R95 IonicContact OD2-NH2 3.1Å; D93-R95 PolarHBondContact OD2-NH2 3.36Å |
| 96 | E | 94.3 | Very high | 92.5 | Very high | 149 Ų | 149 | 57 Ų | 57 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -90.2 | -6.3 | -178.7 | -65.4 | -178.8 | 178.9 | 0 | 0 | 112.9 | V92 D93 | V92-E96 HydrophobicContact CG1-CB 3.96Å; D93-E96 HydrophobicContact CB-CG 4.14Å; D93-E96 PolarHBondContact O-N 3.16Å |
| 97 | I | 95.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -79.1 | 140 | 178.9 | -55.2 | -64 | 0 | 0 | 0 | 110.9 | L83 V92 Y99 I126 Q153 | L83-I97 HydrophobicContact CD1-CG2 3.64Å; L83-I97 HydrophobicContact CD2-CG2 4.39Å; V92-I97 HydrophobicContact CB-CD1 4.26Å; V92-I97 HydrophobicContact CG1-CD1 3.99Å; I97-Y99 HydrophobicContact CB-CD2 4.42Å; I97-Y99 HydrophobicContact CB-CE1 4.23Å; I97-Y99 HydrophobicContact CB-CE2 3.82Å; I97-Y99 HydrophobicContact CG2-CD1 4.24Å; I97-Y99 HydrophobicContact CG2-CE1 3.94Å; I97-Y99 HydrophobicContact CG2-CE2 4.28Å; I97-Y99 WeakPolarHBondContact O-CD2 3.46Å; I97-Y99 PolarHBondContact O-N 2.75Å; I97-I126 HydrophobicContact CD1-CG2 3.78Å; I97-I126 HydrophobicContact CG1-CG2 3.7Å; I97-Q153 PolarHBondContact O-NE2 3Å; I97-Q153 PolarHBondContact O-OE1 2.89Å; I97-Q153 VanDerWaalsContact O-OE1 3.09Å |
| 98 | D | 95.5 | Very high | 92.9 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | trans | -82.7 | 98 | 170.7 | 176.1 | 13.7 | 0 | 0 | 0 | 110.6 | Q81 T100 R101 | Q81-D98 PolarHBondContact NE2-O 3.37Å; D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 WeakPolarHBondContact OD1-CB 3.24Å; D98-T100 PolarHBondContact OD1-N 3.35Å; D98-T100 PolarHBondContact OD1-OG1 3.44Å; D98-R101 IonicContact OD2-CZ 3.34Å; D98-R101 IonicContact OD2-NE 2.9Å; D98-R101 PolarHBondContact OD2-NE 3.36Å; D98-R101 IonicContact OD2-NH2 3.83Å | ||
| 99 | Y | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 2.1 | 177.6 | -62.9 | -75.5 | 0 | 0 | 0 | 113.5 | L83 F94 I97 R101 T103 I146 E149 A150 R154 | L83-Y99 HydrophobicContact CD1-CD1 4.25Å; L83-Y99 HydrophobicContact CD1-CE1 3.63Å; F94-Y99 WeakPolarHBondContact O-CE2 3Å; F94-Y99 VanDerWaalsContact O-CZ 3.31Å; F94-Y99 PolarHBondContact O-OH 3.39Å; I97-Y99 HydrophobicContact CB-CD2 4.42Å; I97-Y99 HydrophobicContact CB-CE1 4.23Å; I97-Y99 HydrophobicContact CB-CE2 3.82Å; I97-Y99 HydrophobicContact CG2-CD1 4.24Å; I97-Y99 HydrophobicContact CG2-CE1 3.94Å; I97-Y99 HydrophobicContact CG2-CE2 4.28Å; I97-Y99 WeakPolarHBondContact O-CD2 3.46Å; I97-Y99 PolarHBondContact O-N 2.75Å; Y99-R101 PolarHBondContact O-N 2.93Å; Y99-T103 HydrophobicContact CD1-CG2 4.01Å; Y99-T103 HydrophobicContact CE1-CG2 4.38Å; Y99-I146 HydrophobicContact CE1-CG2 3.95Å; Y99-E149 HydrophobicContact CD2-CG 4.16Å; Y99-E149 HydrophobicContact CE2-CG 3.8Å; Y99-A150 HydrophobicContact CD1-CB 3.82Å; Y99-A150 HydrophobicContact CD2-CB 4.12Å; Y99-A150 HydrophobicContact CG-CB 3.58Å; Y99-R154 PolarHBondContact O-NE 3.14Å; Y99-R154 PolarHBondContact O-NH2 3.19Å |
| 100 | T | 93.9 | Very high | 93.1 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -14 | 174.2 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | D98 Q153 A157 | D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 WeakPolarHBondContact OD1-CB 3.24Å; D98-T100 PolarHBondContact OD1-N 3.35Å; D98-T100 PolarHBondContact OD1-OG1 3.44Å; T100-Q153 HydrophobicContact CG2-CB 4.37Å; T100-A157 HydrophobicContact CG2-CB 3.94Å |
| 101 | R | 93.8 | Very high | 92.9 | Very high | 147 Ų | 147 | 48.2 Ų | 48.2 | 56% | 0.555 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -82.9 | 156.9 | 171.8 | -57.3 | 178.2 | -169.7 | -164.4 | -3.2 | 111.3 | D98 Y99 T103 R154 | D98-R101 IonicContact OD2-CZ 3.34Å; D98-R101 IonicContact OD2-NE 2.9Å; D98-R101 PolarHBondContact OD2-NE 3.36Å; D98-R101 IonicContact OD2-NH2 3.83Å; Y99-R101 PolarHBondContact O-N 2.93Å; R101-T103 PolarHBondContact O-N 3.2Å; R101-T103 PolarHBondContact O-OG1 3.35Å; R101-R154 PolarHBondContact O-NH2 3.29Å |
| 102 | P | 95.2 | Very high | 92.5 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | trans | -54.3 | 121.2 | 170.2 | -27.2 | 36.5 | 0 | 0 | 0 | 110.8 | D8 M80 Q81 | D8-P102 HydrophobicContact CB-CB 3.96Å; D8-P102 HydrophobicContact CB-CG 4.14Å; D8-P102 CarbonylContact O-C 3.54Å; D8-P102 WeakPolarHBondContact O-CA 3.23Å; M80-P102 WeakPolarHBondContact CA-O 3.5Å; M80-P102 HydrophobicContact CB-CB 4.49Å; M80-P102 HydrophobicContact CG-CB 4.03Å; Q81-P102 WeakPolarHBondContact CG-O 3.35Å; Q81-P102 PolarHBondContact N-O 3.24Å | ||
| 103 | T | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.6 | -166.7 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | D8 L9 T10 Q81 L83 Y99 R101 | D8-T103 PolarHBondContact O-N 3.08Å; L9-T103 WeakPolarHBondContact CA-O 3.42Å; T10-T103 PolarHBondContact N-O 2.91Å; Q81-T103 HydrophobicContact CG-CG2 3.96Å; Q81-T103 PolarHBondContact NE2-OG1 3.28Å; Q81-T103 WeakPolarHBondContact O-CA 3.42Å; L83-T103 HydrophobicContact CD1-CG2 3.39Å; L83-T103 HydrophobicContact CG-CG2 3.97Å; Y99-T103 HydrophobicContact CD1-CG2 4.01Å; Y99-T103 HydrophobicContact CE1-CG2 4.38Å; R101-T103 PolarHBondContact O-N 3.2Å; R101-T103 PolarHBondContact O-OG1 3.35Å |
| 104 | C | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127 | 165 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | T10 C12 L75 M80 Q81 I82 L83 | T10-C104 HydrophobicContact CG2-CB 3.68Å; T10-C104 WeakPolarHBondContact O-CA 3.11Å; C12-C104 WeakPolarHBondContact CB-SG 3.38Å; L75-C104 HydrophobicContact CD1-CB 4.11Å; L75-C104 VanDerWaalsContact CD1-SG 3.54Å; L75-C104 HydrophobicContact CD2-CB 4.44Å; M80-C104 HydrophobicContact SD-CB 4.33Å; Q81-C104 PolarHBondContact O-N 2.88Å; I82-C104 HydrophobicContact CD1-CB 3.68Å; L83-C104 PolarHBondContact N-O 3.21Å |
| 105 | I | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.8 | 171.1 | -55.5 | 156.9 | 0 | 0 | 0 | 108.1 | T10 V11 C12 T85 M107 I146 L147 | T10-I105 PolarHBondContact O-N 3.49Å; V11-I105 CarbonylContact C-O 3.51Å; V11-I105 WeakPolarHBondContact CA-O 3.5Å; C12-I105 PolarHBondContact N-O 3.14Å; T85-I105 HydrophobicContact CG2-CG2 3.95Å; I105-M107 HydrophobicContact CG2-CG 4.31Å; I105-M107 HydrophobicContact CG2-SD 3.57Å; I105-M107 VanDerWaalsContact CG2-SD 3.57Å; I105-I146 HydrophobicContact CD1-CB 4.13Å; I105-I146 HydrophobicContact CD1-CG2 3.41Å; I105-I146 VanDerWaalsContact CD1-CG2 3.41Å; I105-I146 HydrophobicContact CG1-CG2 3.88Å; I105-I146 HydrophobicContact CG2-CD1 4.16Å; I105-I146 HydrophobicContact CG2-CG2 4.23Å; I105-L147 HydrophobicContact CD1-CD2 3.6Å; I105-L147 HydrophobicContact CD1-CG 4.02Å |
| 106 | L | 96.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.9 | 179.1 | -177.5 | 59.8 | 0 | 0 | 0 | 109.9 | C12 E14 I68 I82 L83 T85 I114 A118 | C12-L106 HydrophobicContact CB-CD1 3.78Å; C12-L106 WeakPolarHBondContact O-CA 3.13Å; E14-L106 HydrophobicContact CB-CD1 4.4Å; I68-L106 HydrophobicContact CD1-CD1 3.57Å; I68-L106 HydrophobicContact CD1-CD2 4.31Å; I82-L106 HydrophobicContact CG2-CB 4.4Å; I82-L106 HydrophobicContact CG2-CD2 4.35Å; L83-L106 PolarHBondContact O-N 3.43Å; T85-L106 PolarHBondContact N-O 3.35Å; T85-L106 VanDerWaalsContact N-O 3.14Å; T85-L106 PolarHBondContact OG1-O 3.27Å; L106-I114 HydrophobicContact CD2-CG2 4.2Å; L106-I114 HydrophobicContact CG-CD1 4.27Å; L106-I114 WeakPolarHBondContact O-CD1 3.39Å; L106-A118 HydrophobicContact CD2-CB 3.9Å |
| 107 | M | 94.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.7 | -176.6 | -52.7 | -68.7 | -54 | 0 | 0 | 109.8 | V11 C12 E14 T85 I105 V139 A142 S143 | V11-M107 HydrophobicContact CG1-CG 3.7Å; C12-M107 PolarHBondContact O-N 2.94Å; E14-M107 PolarHBondContact N-O 3.06Å; T85-M107 HydrophobicContact CG2-CE 4.15Å; T85-M107 HydrophobicContact CG2-SD 3.49Å; T85-M107 WeakPolarHBondContact CG2-SD 3.44Å; I105-M107 HydrophobicContact CG2-CG 4.31Å; I105-M107 HydrophobicContact CG2-SD 3.57Å; I105-M107 VanDerWaalsContact CG2-SD 3.57Å; M107-V139 HydrophobicContact CB-CG2 3.8Å; M107-V139 HydrophobicContact CE-CG2 3.62Å; M107-V139 VanDerWaalsContact CE-O 3.3Å; M107-V139 WeakPolarHBondContact CE-O 3.38Å; M107-A142 HydrophobicContact CE-CB 3.79Å; M107-S143 WeakPolarHBondContact CE-OG 3.45Å; M107-S143 WeakPolarHBondContact CG-OG 3.21Å; M107-S143 PolarHBondContact SD-OG 2.83Å; M107-S143 VanDerWaalsContact SD-OG 3.37Å |
| 108 | G | 89.4 | Confident | 91.2 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | trans | -89.7 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E14 | E14-G108 CarbonylContact O-C 3.6Š| ||
| 109 | Q | 86.3 | Confident | 91 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 145.7 | 177.2 | -174 | -174.3 | 7.8 | 0 | 0 | 111.4 | E14 H17 K111 T112 G113 | E14-Q109 PolarHBondContact O-N 3.16Å; H17-Q109 PolarHBondContact CD2-NE2 2.92Å; H17-Q109 PolarHBondContact NE2-NE2 3Å; Q109-K111 PolarHBondContact O-N 3.28Å; Q109-K111 VanDerWaalsContact O-N 3.08Å; Q109-T112 PolarHBondContact OE1-OG1 3.44Å; Q109-G113 PolarHBondContact N-O 2.99Å; Q109-G113 VanDerWaalsContact N-O 3.12Å; Q109-G113 VanDerWaalsContact O-CA 3.28Å; Q109-G113 WeakPolarHBondContact O-CA 3.32Å; Q109-G113 PolarHBondContact O-N 2.86Å |
| 110 | E | 82.3 | Confident | 90.9 | Very high | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.4 | -173.7 | -58.6 | 91.2 | 155 | 0 | 0 | 115.2 | V16 K18 N21 V139 | V16-E110 WeakPolarHBondContact CG1-OE1 3.12Å; K18-E110 WeakPolarHBondContact CB-OE1 3.42Å; N21-E110 PolarHBondContact ND2-OE1 2.76Å; E110-V139 HydrophobicContact CG-CG1 3.95Å |
| 111 | K | 80.8 | Confident | 90.9 | Very high | 192 Ų | 192 | 53.3 Ų | 53.3 | 84% | 0.835 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -40.1 | -177.1 | -74.6 | -171.6 | 176.9 | -176.4 | 0 | 113.6 | Q109 | Q109-K111 PolarHBondContact O-N 3.28Å; Q109-K111 VanDerWaalsContact O-N 3.08Å |
| 112 | T | 82.5 | Confident | 90.8 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 63% | 0.632 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -12.3 | -171 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | Q109 | Q109-T112 PolarHBondContact OE1-OG1 3.44Š|
| 113 | G | 86.6 | Confident | 90.8 | Very high | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | 74.4 | -154.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q109 | Q109-G113 PolarHBondContact N-O 2.99Å; Q109-G113 VanDerWaalsContact N-O 3.12Å; Q109-G113 VanDerWaalsContact O-CA 3.28Å; Q109-G113 WeakPolarHBondContact O-CA 3.32Å; Q109-G113 PolarHBondContact O-N 2.86Å |
| 114 | I | 88.5 | Confident | 90.6 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.3 | 139.9 | 177.4 | -63.8 | 175.9 | 0 | 0 | 0 | 109 | A84 T85 L106 A118 L119 | A84-I114 HydrophobicContact CB-CD1 3.7Å; T85-I114 WeakPolarHBondContact O-CD1 3.41Å; L106-I114 HydrophobicContact CD2-CG2 4.2Å; L106-I114 HydrophobicContact CG-CD1 4.27Å; L106-I114 WeakPolarHBondContact O-CD1 3.39Å; I114-A118 HydrophobicContact CG2-CB 3.3Å; I114-L119 HydrophobicContact CB-CD2 4.27Å; I114-L119 HydrophobicContact CB-CG 4.42Å; I114-L119 HydrophobicContact CG2-CD2 3.96Å; I114-L119 HydrophobicContact CG2-CG 3.93Å |
| 115 | T | 90.5 | Very high | 90.5 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | trans | -69.4 | 156.8 | 178.8 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | E14 E117 A118 L119 | E14-T115 WeakPolarHBondContact OE1-CB 3.36Å; E14-T115 WeakPolarHBondContact OE1-CG2 3.24Å; E14-T115 PolarHBondContact OE1-OG1 3.01Å; E14-T115 PolarHBondContact OE2-N 3.4Å; E14-T115 PolarHBondContact OE2-OG1 3.13Å; T115-E117 PolarHBondContact O-N 3.44Å; T115-A118 WeakPolarHBondContact O-CB 3.45Å; T115-A118 PolarHBondContact O-N 2.92Å; T115-A118 VanDerWaalsContact O-N 3.09Å; T115-A118 VanDerWaalsContact OG1-CB 3.26Å; T115-A118 WeakPolarHBondContact OG1-CB 3.44Å; T115-A118 PolarHBondContact OG1-N 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.45Å; T115-L119 PolarHBondContact O-N 2.82Å | ||
| 116 | Q | 90.4 | Very high | 90.4 | Very high | 146 Ų | 146 | 54.6 Ų | 54.6 | 68% | 0.682 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.7 | -32.1 | 175.3 | -73.9 | -66.6 | -21 | 0 | 0 | 112.6 | A120 | Q116-A120 WeakPolarHBondContact O-CB 3.48Å; Q116-A120 PolarHBondContact O-N 3.47Å |
| 117 | E | 92.2 | Very high | 90.3 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 172.7 | -175.7 | -175.4 | 167.4 | 0 | 0 | 110.9 | I68 T115 A120 L121 | I68-E117 HydrophobicContact CG2-CB 4.33Å; I68-E117 HydrophobicContact CG2-CG 3.89Å; T115-E117 PolarHBondContact O-N 3.44Å; E117-A120 PolarHBondContact O-N 2.81Å; E117-L121 HydrophobicContact CG-CD1 4.3Å; E117-L121 VanDerWaalsContact O-CG 3.29Å; E117-L121 WeakPolarHBondContact O-CG 3.35Å; E117-L121 PolarHBondContact O-N 2.8Å |
| 118 | A | 90.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E14 I68 L106 I114 T115 L121 A122 | E14-A118 WeakPolarHBondContact OE2-CB 3.17Å; I68-A118 HydrophobicContact CG1-CB 3.74Å; I68-A118 HydrophobicContact CG2-CB 4.36Å; L106-A118 HydrophobicContact CD2-CB 3.9Å; I114-A118 HydrophobicContact CG2-CB 3.3Å; T115-A118 WeakPolarHBondContact O-CB 3.45Å; T115-A118 PolarHBondContact O-N 2.92Å; T115-A118 VanDerWaalsContact O-N 3.09Å; T115-A118 VanDerWaalsContact OG1-CB 3.26Å; T115-A118 WeakPolarHBondContact OG1-CB 3.44Å; T115-A118 PolarHBondContact OG1-N 3.26Å; A118-L121 PolarHBondContact O-N 2.97Å; A118-A122 PolarHBondContact O-N 2.77Å; A118-A122 VanDerWaalsContact O-N 3.16Å |
| 119 | L | 91.9 | Very high | 90.3 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.8 | -68.9 | 171.1 | 0 | 0 | 0 | 112.1 | A84 H86 I114 T115 L121 A122 | A84-L119 HydrophobicContact CB-CD2 3.88Å; H86-L119 HydrophobicContact CB-CD2 3.5Å; H86-L119 VanDerWaalsContact CB-CD2 3.5Å; H86-L119 VanDerWaalsContact CG-CD2 3.49Å; I114-L119 HydrophobicContact CB-CD2 4.27Å; I114-L119 HydrophobicContact CB-CG 4.42Å; I114-L119 HydrophobicContact CG2-CD2 3.96Å; I114-L119 HydrophobicContact CG2-CG 3.93Å; T115-L119 WeakPolarHBondContact O-CG 3.45Å; T115-L119 PolarHBondContact O-N 2.82Å; L119-L121 PolarHBondContact O-N 3.48Å; L119-A122 WeakPolarHBondContact O-CB 3.5Å; L119-A122 PolarHBondContact O-N 3.05Å; L119-A122 VanDerWaalsContact O-N 3.16Å |
| 120 | A | 93 | Very high | 90.4 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -23.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q116 E117 | Q116-A120 WeakPolarHBondContact O-CB 3.48Å; Q116-A120 PolarHBondContact O-N 3.47Å; E117-A120 PolarHBondContact O-N 2.81Å |
| 121 | L | 93.9 | Very high | 90.7 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -90.7 | -17.5 | 177.9 | -68.4 | 171.7 | 0 | 0 | 0 | 113.3 | V72 K76 E117 A118 L119 | V72-L121 HydrophobicContact CB-CB 4.34Å; V72-L121 HydrophobicContact CB-CD1 4.37Å; V72-L121 HydrophobicContact CG1-CB 3.93Å; V72-L121 HydrophobicContact CG2-CB 4.31Å; V72-L121 HydrophobicContact CG2-CD1 4.49Å; K76-L121 WeakPolarHBondContact CE-O 3.3Å; K76-L121 PolarHBondContact NZ-O 3.15Å; E117-L121 HydrophobicContact CG-CD1 4.3Å; E117-L121 VanDerWaalsContact O-CG 3.29Å; E117-L121 WeakPolarHBondContact O-CG 3.35Å; E117-L121 PolarHBondContact O-N 2.8Å; A118-L121 PolarHBondContact O-N 2.97Å; L119-L121 PolarHBondContact O-N 3.48Å |
| 122 | A | 93 | Very high | 90.9 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | trans | -70.5 | 149.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I82 A84 A118 L119 | I82-A122 HydrophobicContact CG2-CB 4.34Å; A84-A122 HydrophobicContact CB-CB 3.6Å; A118-A122 PolarHBondContact O-N 2.77Å; A118-A122 VanDerWaalsContact O-N 3.16Å; L119-A122 WeakPolarHBondContact O-CB 3.5Å; L119-A122 PolarHBondContact O-N 3.05Å; L119-A122 VanDerWaalsContact O-N 3.16Å | ||
| 123 | D | 94.1 | Very high | 91 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -82.5 | -29.5 | 176.1 | -59.5 | -55 | 0 | 0 | 0 | 111.1 | K76 Q81 I82 | K76-D123 VanDerWaalsContact CE-OD1 3.23Å; K76-D123 WeakPolarHBondContact CE-OD1 3.22Å; K76-D123 WeakPolarHBondContact CE-OD2 3.32Å; K76-D123 IonicContact NZ-OD1 3.67Å; K76-D123 PolarHBondContact NZ-OD1 3.44Å; K76-D123 IonicContact NZ-OD2 3.77Å; Q81-D123 WeakPolarHBondContact CA-OD2 3.33Å; I82-D123 PolarHBondContact N-OD2 3.15Å; I82-D123 PolarHBondContact O-N 2.74Å |
| 124 | Q | 93.1 | Very high | 90.9 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 36% | 0.355 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 143.6 | -179.6 | -168.1 | 167.2 | 10.8 | 0 | 0 | 112.3 | I82 L83 A84 | I82-Q124 PolarHBondContact O-N 2.97Å; L83-Q124 WeakPolarHBondContact CA-O 3.47Å; L83-Q124 HydrophobicContact CD2-CB 3.93Å; A84-Q124 PolarHBondContact N-O 3.45Å |
| 125 | D | 94.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.8 | 170.2 | -69.5 | -7.6 | 0 | 0 | 0 | 110.2 | A84 H86 S88 A91 V92 | A84-D125 WeakPolarHBondContact O-CA 3.45Å; H86-D125 IonicContact CD2-OD2 3.98Å; S88-D125 PolarHBondContact OG-OD2 2.94Å; A91-D125 WeakPolarHBondContact CA-O 3.48Å; A91-D125 HydrophobicContact CB-CB 3.97Å; V92-D125 PolarHBondContact N-O 3.24Å |
| 126 | I | 95 | Very high | 90.5 | Very high | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.1 | 176.8 | 63.8 | 169 | 0 | 0 | 0 | 111.4 | L83 A84 T85 H86 V92 F94 I97 I146 | L83-I126 HydrophobicContact CB-CD1 4.02Å; L83-I126 HydrophobicContact CB-CG1 4.34Å; L83-I126 HydrophobicContact CB-CG2 4.22Å; L83-I126 HydrophobicContact CD2-CG2 4.34Å; A84-I126 PolarHBondContact O-N 3.46Å; T85-I126 WeakPolarHBondContact CA-O 3.27Å; T85-I126 HydrophobicContact CG2-CD1 4.08Å; T85-I126 HydrophobicContact CG2-CG1 4.06Å; H86-I126 PolarHBondContact N-O 2.94Å; V92-I126 CarbonylContact O-C 3.59Å; V92-I126 VanDerWaalsContact O-CA 3.28Å; V92-I126 WeakPolarHBondContact O-CA 3.49Å; F94-I126 HydrophobicContact CB-CD1 4.4Å; I97-I126 HydrophobicContact CD1-CG2 3.78Å; I97-I126 HydrophobicContact CG1-CG2 3.7Å; I126-I146 HydrophobicContact CD1-CD1 3.91Å; I126-I146 HydrophobicContact CD1-CG2 4.11Å |
| 127 | I | 94.2 | Very high | 90.4 | Very high | 46 Ų | 46 | 73 Ų | 73 | 24% | 0.236 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.2 | -179.6 | -169.3 | 165.4 | 0 | 0 | 0 | 111.5 | L87 A91 V92 F94 P129 | L87-I127 HydrophobicContact CD2-CD1 3.57Å; L87-I127 HydrophobicContact CD2-CG1 3.92Å; A91-I127 HydrophobicContact CB-CB 3.72Å; A91-I127 HydrophobicContact CB-CG2 3.86Å; V92-I127 PolarHBondContact O-N 3.31Å; F94-I127 PolarHBondContact N-O 2.99Å; I127-P129 WeakPolarHBondContact O-CD 3.29Å |
| 128 | I | 93 | Very high | 90.4 | Very high | 24 Ų | 24 | 70.8 Ų | 70.8 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | trans | -91.6 | 110.4 | 164.3 | -58.2 | 174.2 | 0 | 0 | 0 | 106.2 | F94 M130 L137 A142 L145 I146 | F94-I128 HydrophobicContact CD1-CB 4.26Å; F94-I128 HydrophobicContact CD1-CG1 3.89Å; F94-I128 HydrophobicContact CD1-CG2 4.39Å; F94-I128 HydrophobicContact CE1-CB 4.42Å; F94-I128 HydrophobicContact CE1-CG1 4.22Å; F94-I128 HydrophobicContact CE1-CG2 4.06Å; F94-I128 HydrophobicContact CG-CG1 4.25Å; I128-M130 HydrophobicContact CB-CE 3.86Å; I128-M130 HydrophobicContact CG2-CE 3.74Å; I128-M130 WeakPolarHBondContact O-CE 3.16Å; I128-M130 PolarHBondContact O-N 3.26Å; I128-L137 HydrophobicContact CD1-CD1 4.42Å; I128-L137 HydrophobicContact CG2-CD1 4.3Å; I128-A142 HydrophobicContact CD1-CB 3.69Å; I128-L145 HydrophobicContact CD1-CB 4.28Å; I128-L145 HydrophobicContact CD1-CD1 4.14Å; I128-L145 HydrophobicContact CG2-CD1 4.33Å; I128-I146 HydrophobicContact CD1-CD1 4.26Å; I128-I146 HydrophobicContact CD1-CG1 4.17Å; I128-I146 HydrophobicContact CG1-CD1 4.49Å; I128-I146 HydrophobicContact CG1-CG1 4.36Å | ||
| 129 | P | 90.5 | Very high | 90.5 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 38% | 0.383 | 41% | 0.408 | S | S | . | . | trans | -63.7 | 130.8 | -176.5 | 26.6 | -36.2 | 0 | 0 | 0 | 111.1 | D93 I127 | D93-P129 WeakPolarHBondContact OD2-CG 3.36Å; I127-P129 WeakPolarHBondContact O-CD 3.29Å | ||
| 130 | M | 89.3 | Confident | 90.5 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | trans | -107.1 | 133.7 | 178.2 | -58.6 | -59.8 | 164.5 | 0 | 0 | 110.2 | I128 V134 L137 | I128-M130 HydrophobicContact CB-CE 3.86Å; I128-M130 HydrophobicContact CG2-CE 3.74Å; I128-M130 WeakPolarHBondContact O-CE 3.16Å; I128-M130 PolarHBondContact O-N 3.26Å; M130-V134 WeakPolarHBondContact CB-O 3.46Å; M130-V134 WeakPolarHBondContact CG-O 3.21Å; M130-L137 HydrophobicContact CE-CB 4.37Å; M130-L137 HydrophobicContact CE-CD1 3.87Å; M130-L137 HydrophobicContact CE-CG 3.59Å; M130-L137 HydrophobicContact SD-CG 4.33Å | ||
| 131 | I | 87.6 | Confident | 90.6 | Very high | 183 Ų | 183 | 70.2 Ų | 70.2 | 94% | 0.938 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -93 | -28 | 173.3 | -59.8 | 174.8 | 0 | 0 | 0 | 110.9 | ||
| 132 | G | 84.7 | Confident | 90.6 | Very high | 61 Ų | 61 | 68 Ų | 68 | 63% | 0.629 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -86.3 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V134 | G132-V134 VanDerWaalsContact C-N 3.28Å; G132-V134 PolarHBondContact O-N 3.05Å |
| 133 | M | 85.6 | Confident | 90.7 | Very high | 194 Ų | 194 | 67.1 Ų | 67.1 | 96% | 0.956 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -73 | -16.5 | 179.4 | -65.9 | -173.2 | -78.4 | 0 | 0 | 114.3 | ||
| 134 | V | 82.7 | Confident | 90.8 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | trans | -77.6 | 126 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | M130 G132 S136 | M130-V134 WeakPolarHBondContact CB-O 3.46Å; M130-V134 WeakPolarHBondContact CG-O 3.21Å; G132-V134 VanDerWaalsContact C-N 3.28Å; G132-V134 PolarHBondContact O-N 3.05Å; V134-S136 VanDerWaalsContact CG1-O 3.23Å; V134-S136 WeakPolarHBondContact CG1-O 3.22Å | ||
| 135 | Q | 83.5 | Confident | 90.9 | Very high | 150 Ų | 150 | 63.8 Ų | 63.8 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | trans | -80 | -20.3 | -174.8 | -65.7 | -177.5 | -29.2 | 0 | 0 | 113.9 | L87 | L87-Q135 HydrophobicContact CD1-CB 3.96Å; L87-Q135 WeakPolarHBondContact CD1-O 3.45Å; L87-Q135 WeakPolarHBondContact CD2-O 3.49Å | ||
| 136 | S | 87.2 | Confident | 91.1 | Very high | 72 Ų | 72 | 62 Ų | 62 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | trans | -154.1 | 149.8 | -176.6 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | V134 | V134-S136 VanDerWaalsContact CG1-O 3.23Å; V134-S136 WeakPolarHBondContact CG1-O 3.22Å | ||
| 137 | L | 90.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | trans | -81.2 | 165.9 | 170.2 | -69 | 166.8 | 0 | 0 | 0 | 111.4 | I128 M130 V139 V141 A142 L145 | I128-L137 HydrophobicContact CD1-CD1 4.42Å; I128-L137 HydrophobicContact CG2-CD1 4.3Å; M130-L137 HydrophobicContact CE-CB 4.37Å; M130-L137 HydrophobicContact CE-CD1 3.87Å; M130-L137 HydrophobicContact CE-CG 3.59Å; M130-L137 HydrophobicContact SD-CG 4.33Å; L137-V139 PolarHBondContact O-N 3.29Å; L137-V141 HydrophobicContact CB-CB 4.38Å; L137-V141 HydrophobicContact CB-CG1 4.39Å; L137-V141 HydrophobicContact CD1-CG1 4.16Å; L137-V141 HydrophobicContact CD2-CG1 4.49Å; L137-A142 HydrophobicContact CB-CB 4.41Å; L137-L145 HydrophobicContact CD1-CD1 3.37Å | ||
| 138 | N | 90.7 | Very high | 91.3 | Very high | 69 Ų | 69 | 66 Ų | 66 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | trans | -56.7 | 137.7 | 167.2 | 177.1 | -61 | 0 | 0 | 0 | 109.4 | N21 S140 V141 A142 | N21-N138 PolarHBondContact OD1-ND2 3.45Å; N21-N138 PolarHBondContact OD1-OD1 3.2Å; N21-N138 VanDerWaalsContact OD1-OD1 3.13Å; N138-S140 PolarHBondContact O-N 3.24Å; N138-S140 VanDerWaalsContact O-N 3.1Å; N138-S140 PolarHBondContact OD1-N 3.31Å; N138-S140 PolarHBondContact OD1-OG 2.91Å; N138-V141 HydrophobicContact CB-CB 4.46Å; N138-V141 HydrophobicContact CB-CG2 4.07Å; N138-V141 WeakPolarHBondContact O-CA 3Å; N138-V141 WeakPolarHBondContact O-CB 3.15Å; N138-V141 PolarHBondContact O-N 3.25Å; N138-A142 PolarHBondContact O-N 3.07Å | ||
| 139 | V | 92.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 9% | 0.085 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -48.7 | -41.6 | -177.5 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | V16 N21 I25 M107 E110 L137 V141 A142 S143 | V16-V139 HydrophobicContact CG1-CG1 4.02Å; V16-V139 HydrophobicContact CG2-CG2 4.32Å; N21-V139 HydrophobicContact CB-CG1 3.78Å; N21-V139 WeakPolarHBondContact ND2-CG1 3.34Å; I25-V139 HydrophobicContact CD1-CG1 4.39Å; I25-V139 HydrophobicContact CD1-CG2 4.27Å; M107-V139 HydrophobicContact CB-CG2 3.8Å; M107-V139 HydrophobicContact CE-CG2 3.62Å; M107-V139 VanDerWaalsContact CE-O 3.3Å; M107-V139 WeakPolarHBondContact CE-O 3.38Å; E110-V139 HydrophobicContact CG-CG1 3.95Å; L137-V139 PolarHBondContact O-N 3.29Å; V139-V141 PolarHBondContact O-N 3.33Å; V139-A142 PolarHBondContact O-N 3.15Å; V139-S143 PolarHBondContact O-N 3.27Å; V139-S143 PolarHBondContact O-OG 3Å |
| 140 | S | 92.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 178 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | N138 A144 | N138-S140 PolarHBondContact O-N 3.24Å; N138-S140 VanDerWaalsContact O-N 3.1Å; N138-S140 PolarHBondContact OD1-N 3.31Å; N138-S140 PolarHBondContact OD1-OG 2.91Å; S140-A144 WeakPolarHBondContact O-CB 3.24Å; S140-A144 PolarHBondContact O-N 3.45Å; S140-A144 VanDerWaalsContact O-N 3.1Å |
| 141 | V | 94.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.3 | -41.6 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | L137 N138 V139 A144 L145 | L137-V141 HydrophobicContact CB-CB 4.38Å; L137-V141 HydrophobicContact CB-CG1 4.39Å; L137-V141 HydrophobicContact CD1-CG1 4.16Å; L137-V141 HydrophobicContact CD2-CG1 4.49Å; N138-V141 HydrophobicContact CB-CB 4.46Å; N138-V141 HydrophobicContact CB-CG2 4.07Å; N138-V141 WeakPolarHBondContact O-CA 3Å; N138-V141 WeakPolarHBondContact O-CB 3.15Å; N138-V141 PolarHBondContact O-N 3.25Å; V139-V141 PolarHBondContact O-N 3.33Å; V141-A144 PolarHBondContact O-N 3.32Å; V141-L145 PolarHBondContact O-N 3.2Å |
| 142 | A | 94.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M107 I128 L137 N138 V139 A144 L145 I146 | M107-A142 HydrophobicContact CE-CB 3.79Å; I128-A142 HydrophobicContact CD1-CB 3.69Å; L137-A142 HydrophobicContact CB-CB 4.41Å; N138-A142 PolarHBondContact O-N 3.07Å; V139-A142 PolarHBondContact O-N 3.15Å; A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.32Å; A142-L145 PolarHBondContact O-N 3.08Å; A142-I146 VanDerWaalsContact O-CG1 3.32Å; A142-I146 WeakPolarHBondContact O-CG1 3.46Å; A142-I146 PolarHBondContact O-N 2.85Å; A142-I146 VanDerWaalsContact O-N 3.14Å |
| 143 | S | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -42.4 | 173.2 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | M107 V139 L147 | M107-S143 WeakPolarHBondContact CE-OG 3.45Å; M107-S143 WeakPolarHBondContact CG-OG 3.21Å; M107-S143 PolarHBondContact SD-OG 2.83Å; M107-S143 VanDerWaalsContact SD-OG 3.37Å; V139-S143 PolarHBondContact O-N 3.27Å; V139-S143 PolarHBondContact O-OG 3Å; S143-L147 VanDerWaalsContact O-CB 3.23Å; S143-L147 WeakPolarHBondContact O-CB 3.32Å; S143-L147 VanDerWaalsContact O-CG 3.25Å; S143-L147 WeakPolarHBondContact O-CG 3.28Å; S143-L147 PolarHBondContact O-N 3.46Å |
| 144 | A | 96 | Very high | 93.5 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T28 S140 V141 A142 I146 L147 Y148 | T28-A144 HydrophobicContact CG2-CB 3.73Å; S140-A144 WeakPolarHBondContact O-CB 3.24Å; S140-A144 PolarHBondContact O-N 3.45Å; S140-A144 VanDerWaalsContact O-N 3.1Å; V141-A144 PolarHBondContact O-N 3.32Å; A142-A144 VanDerWaalsContact C-N 3.27Å; A142-A144 PolarHBondContact O-N 3.32Å; A144-I146 VanDerWaalsContact C-N 3.32Å; A144-I146 PolarHBondContact O-N 3Å; A144-L147 PolarHBondContact O-N 2.96Å; A144-Y148 WeakPolarHBondContact O-CB 3.46Å; A144-Y148 VanDerWaalsContact O-CD2 3.28Å; A144-Y148 WeakPolarHBondContact O-CD2 3.37Å; A144-Y148 PolarHBondContact O-N 3.45Å |
| 145 | L | 96.6 | Very high | 94 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 178.8 | -73.4 | 170.2 | 0 | 0 | 0 | 112.2 | F94 I128 L137 V141 A142 E149 | F94-L145 HydrophobicContact CE2-CB 4.5Å; I128-L145 HydrophobicContact CD1-CB 4.28Å; I128-L145 HydrophobicContact CD1-CD1 4.14Å; I128-L145 HydrophobicContact CG2-CD1 4.33Å; L137-L145 HydrophobicContact CD1-CD1 3.37Å; V141-L145 PolarHBondContact O-N 3.2Å; A142-L145 PolarHBondContact O-N 3.08Å; L145-E149 PolarHBondContact O-N 3.41Å; L145-E149 VanDerWaalsContact O-N 3.11Å |
| 146 | I | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -44.2 | -178.8 | -58 | 164.5 | 0 | 0 | 0 | 110.5 | T85 F94 Y99 I105 I126 I128 A142 A144 Y148 E149 A150 | T85-I146 HydrophobicContact CG2-CD1 3.41Å; T85-I146 VanDerWaalsContact CG2-CD1 3.41Å; F94-I146 HydrophobicContact CB-CG1 4.24Å; F94-I146 HydrophobicContact CD2-CB 4.38Å; F94-I146 HydrophobicContact CD2-CG1 3.93Å; F94-I146 HydrophobicContact CG-CG1 4.24Å; Y99-I146 HydrophobicContact CE1-CG2 3.95Å; I105-I146 HydrophobicContact CD1-CB 4.13Å; I105-I146 HydrophobicContact CD1-CG2 3.41Å; I105-I146 VanDerWaalsContact CD1-CG2 3.41Å; I105-I146 HydrophobicContact CG1-CG2 3.88Å; I105-I146 HydrophobicContact CG2-CD1 4.16Å; I105-I146 HydrophobicContact CG2-CG2 4.23Å; I126-I146 HydrophobicContact CD1-CD1 3.91Å; I126-I146 HydrophobicContact CD1-CG2 4.11Å; I128-I146 HydrophobicContact CD1-CD1 4.26Å; I128-I146 HydrophobicContact CD1-CG1 4.17Å; I128-I146 HydrophobicContact CG1-CD1 4.49Å; I128-I146 HydrophobicContact CG1-CG1 4.36Å; A142-I146 VanDerWaalsContact O-CG1 3.32Å; A142-I146 WeakPolarHBondContact O-CG1 3.46Å; A142-I146 PolarHBondContact O-N 2.85Å; A142-I146 VanDerWaalsContact O-N 3.14Å; A144-I146 VanDerWaalsContact C-N 3.32Å; A144-I146 PolarHBondContact O-N 3Å; I146-Y148 PolarHBondContact O-N 3Å; I146-E149 PolarHBondContact O-N 3.5Å; I146-A150 PolarHBondContact O-N 3.36Å |
| 147 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -36.4 | 178.5 | -76.8 | 176.3 | 0 | 0 | 0 | 113.2 | L9 V11 T28 A29 V32 V34 I105 S143 A144 A150 Q151 | L9-L147 HydrophobicContact CD1-CD2 4.47Å; L9-L147 HydrophobicContact CD2-CD2 4.16Å; L9-L147 HydrophobicContact CG-CD2 4.27Å; V11-L147 HydrophobicContact CG2-CD1 3.75Å; V11-L147 HydrophobicContact CG2-CD2 3.89Å; V11-L147 HydrophobicContact CG2-CG 4.08Å; T28-L147 HydrophobicContact CG2-CB 4.32Å; T28-L147 HydrophobicContact CG2-CD1 3.74Å; A29-L147 HydrophobicContact CB-CD1 4.47Å; V32-L147 HydrophobicContact CG1-CB 4.14Å; V32-L147 HydrophobicContact CG2-CB 4.06Å; V32-L147 HydrophobicContact CG2-CD1 4.26Å; V32-L147 HydrophobicContact CG2-CD2 4.12Å; V32-L147 HydrophobicContact CG2-CG 4.39Å; V34-L147 HydrophobicContact CG2-CD2 4.16Å; I105-L147 HydrophobicContact CD1-CD2 3.6Å; I105-L147 HydrophobicContact CD1-CG 4.02Å; S143-L147 VanDerWaalsContact O-CB 3.23Å; S143-L147 WeakPolarHBondContact O-CB 3.32Å; S143-L147 VanDerWaalsContact O-CG 3.25Å; S143-L147 WeakPolarHBondContact O-CG 3.28Å; S143-L147 PolarHBondContact O-N 3.46Å; A144-L147 PolarHBondContact O-N 2.96Å; L147-A150 PolarHBondContact O-N 3.1Å; L147-Q151 WeakPolarHBondContact O-CB 2.86Å; L147-Q151 PolarHBondContact O-N 2.66Å |
| 148 | Y | 96.5 | Very high | 94.8 | Very high | 131 Ų | 131 | 44.8 Ų | 44.8 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.4 | -33.2 | 175.7 | -91.7 | -82.5 | 0 | 0 | 0 | 112.3 | A144 I146 R152 | A144-Y148 WeakPolarHBondContact O-CB 3.46Å; A144-Y148 VanDerWaalsContact O-CD2 3.28Å; A144-Y148 WeakPolarHBondContact O-CD2 3.37Å; A144-Y148 PolarHBondContact O-N 3.45Å; I146-Y148 PolarHBondContact O-N 3Å; Y148-R152 WeakPolarHBondContact O-CB 3.42Å; Y148-R152 PolarHBondContact O-N 3.43Å |
| 149 | E | 97.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 170.4 | 176.7 | 56.2 | -140.8 | 0 | 0 | 111 | F94 Y99 L145 I146 Q151 R152 Q153 | F94-E149 HydrophobicContact CD2-CB 4.14Å; F94-E149 HydrophobicContact CD2-CG 4.26Å; F94-E149 HydrophobicContact CE2-CB 3.79Å; F94-E149 HydrophobicContact CE2-CG 4.15Å; Y99-E149 HydrophobicContact CD2-CG 4.16Å; Y99-E149 HydrophobicContact CE2-CG 3.8Å; L145-E149 PolarHBondContact O-N 3.41Å; L145-E149 VanDerWaalsContact O-N 3.11Å; I146-E149 PolarHBondContact O-N 3.5Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 2.8Å; E149-R152 VanDerWaalsContact CD-CZ 3.41Å; E149-R152 WeakPolarHBondContact O-CB 3.43Å; E149-R152 PolarHBondContact O-N 2.82Å; E149-R152 VanDerWaalsContact O-N 3.15Å; E149-R152 IonicContact OE1-CZ 3.79Å; E149-R152 IonicContact OE1-NE 2.65Å; E149-R152 IonicContact OE1-NH1 3.5Å; E149-R152 IonicContact OE1-NH2 3.11Å; E149-R152 PolarHBondContact OE1-NH2 2.99Å; E149-R152 IonicContact OE2-CZ 3.82Å; E149-R152 IonicContact OE2-NE 3.84Å; E149-R152 IonicContact OE2-NH1 2.7Å; E149-R152 PolarHBondContact OE2-NH1 3.4Å; E149-R152 IonicContact OE2-NH2 3.02Å; E149-R152 PolarHBondContact OE2-NH2 3.5Å; E149-Q153 PolarHBondContact O-N 2.85Å; E149-Q153 WeakPolarHBondContact OE1-CG 3.23Å; E149-Q153 PolarHBondContact OE1-NE2 3.42Å |
| 150 | A | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L9 Y99 I146 L147 R152 Q153 R154 | L9-A150 HydrophobicContact CD1-CB 4.1Å; L9-A150 HydrophobicContact CD2-CB 4.09Å; Y99-A150 HydrophobicContact CD1-CB 3.82Å; Y99-A150 HydrophobicContact CD2-CB 4.12Å; Y99-A150 HydrophobicContact CG-CB 3.58Å; I146-A150 PolarHBondContact O-N 3.36Å; L147-A150 PolarHBondContact O-N 3.1Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R152 PolarHBondContact O-N 2.68Å; A150-Q153 PolarHBondContact O-N 3.46Å; A150-R154 WeakPolarHBondContact O-CB 3.45Å; A150-R154 VanDerWaalsContact O-CG 3.3Å; A150-R154 WeakPolarHBondContact O-CG 3.42Å; A150-R154 PolarHBondContact O-N 3.31Å |
| 151 | Q | 95.4 | Very high | 94.6 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 174.6 | -175.5 | -167 | -3.9 | 0 | 0 | 111.2 | V32 L147 E149 Q153 R154 Q155 Y160 | V32-Q151 HydrophobicContact CB-CB 4.12Å; V32-Q151 HydrophobicContact CB-CG 4.37Å; V32-Q151 HydrophobicContact CG1-CB 4.14Å; L147-Q151 WeakPolarHBondContact O-CB 2.86Å; L147-Q151 PolarHBondContact O-N 2.66Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 2.8Å; Q151-Q153 PolarHBondContact O-N 2.85Å; Q151-R154 PolarHBondContact O-N 3.39Å; Q151-Q155 WeakPolarHBondContact O-CB 3.3Å; Q151-Q155 PolarHBondContact O-N 3.39Å; Q151-Y160 HydrophobicContact CG-CE2 3.97Å |
| 152 | R | 96.2 | Very high | 93.9 | Very high | 129 Ų | 129 | 53.6 Ų | 53.6 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 180 | -172 | -168.8 | 78.4 | -157.1 | 3.6 | 111.3 | Y148 E149 A150 Q155 N156 | Y148-R152 WeakPolarHBondContact O-CB 3.42Å; Y148-R152 PolarHBondContact O-N 3.43Å; E149-R152 VanDerWaalsContact CD-CZ 3.41Å; E149-R152 WeakPolarHBondContact O-CB 3.43Å; E149-R152 PolarHBondContact O-N 2.82Å; E149-R152 VanDerWaalsContact O-N 3.15Å; E149-R152 IonicContact OE1-CZ 3.79Å; E149-R152 IonicContact OE1-NE 2.65Å; E149-R152 IonicContact OE1-NH1 3.5Å; E149-R152 IonicContact OE1-NH2 3.11Å; E149-R152 PolarHBondContact OE1-NH2 2.99Å; E149-R152 IonicContact OE2-CZ 3.82Å; E149-R152 IonicContact OE2-NE 3.84Å; E149-R152 IonicContact OE2-NH1 2.7Å; E149-R152 PolarHBondContact OE2-NH1 3.4Å; E149-R152 IonicContact OE2-NH2 3.02Å; E149-R152 PolarHBondContact OE2-NH2 3.5Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R152 PolarHBondContact O-N 2.68Å; R152-Q155 PolarHBondContact O-N 3.33Å; R152-N156 WeakPolarHBondContact O-CB 3.02Å; R152-N156 VanDerWaalsContact O-CG 3.24Å; R152-N156 PolarHBondContact O-N 3.26Å; R152-N156 PolarHBondContact O-ND2 3.21Å |
| 153 | Q | 96.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 16% | 0.159 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 179 | -66.6 | -173.3 | 15.5 | 0 | 0 | 111.7 | I97 T100 E149 A150 Q151 Q155 N156 A157 | I97-Q153 PolarHBondContact O-NE2 3Å; I97-Q153 PolarHBondContact O-OE1 2.89Å; I97-Q153 VanDerWaalsContact O-OE1 3.09Å; T100-Q153 HydrophobicContact CG2-CB 4.37Å; E149-Q153 PolarHBondContact O-N 2.85Å; E149-Q153 WeakPolarHBondContact OE1-CG 3.23Å; E149-Q153 PolarHBondContact OE1-NE2 3.42Å; A150-Q153 PolarHBondContact O-N 3.46Å; Q151-Q153 PolarHBondContact O-N 2.85Å; Q153-Q155 VanDerWaalsContact C-N 3.34Å; Q153-Q155 PolarHBondContact O-N 3.43Å; Q153-N156 PolarHBondContact O-N 2.97Å; Q153-A157 WeakPolarHBondContact O-CB 3.24Å; Q153-A157 PolarHBondContact O-N 3.42Å |
| 154 | R | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 178.8 | -72.4 | 177.4 | 167.3 | -113.6 | -5.1 | 113.2 | D8 Y99 R101 A150 Q151 A157 G158 M159 Y160 | D8-R154 IonicContact OD1-CZ 3.68Å; D8-R154 IonicContact OD1-NH1 2.92Å; D8-R154 PolarHBondContact OD1-NH1 3.05Å; D8-R154 IonicContact OD1-NH2 2.85Å; D8-R154 IonicContact OD2-CZ 2.75Å; D8-R154 VanDerWaalsContact OD2-CZ 3.29Å; D8-R154 IonicContact OD2-NH1 2.73Å; D8-R154 PolarHBondContact OD2-NH1 3.31Å; D8-R154 IonicContact OD2-NH2 3.53Å; D8-R154 PolarHBondContact OD2-NH2 3.44Å; Y99-R154 PolarHBondContact O-NE 3.14Å; Y99-R154 PolarHBondContact O-NH2 3.19Å; R101-R154 PolarHBondContact O-NH2 3.29Å; A150-R154 WeakPolarHBondContact O-CB 3.45Å; A150-R154 VanDerWaalsContact O-CG 3.3Å; A150-R154 WeakPolarHBondContact O-CG 3.42Å; A150-R154 PolarHBondContact O-N 3.31Å; Q151-R154 PolarHBondContact O-N 3.39Å; R154-A157 CarbonylContact O-C 3.56Å; R154-A157 PolarHBondContact O-N 3.03Å; R154-G158 PolarHBondContact O-N 3.21Å; R154-M159 HydrophobicContact CB-CB 4.33Å; R154-M159 HydrophobicContact CB-SD 4.1Å; R154-M159 HydrophobicContact CG-SD 3.77Å; R154-M159 PolarHBondContact O-N 3.43Å; R154-Y160 HydrophobicContact CB-CD2 4.19Å; R154-Y160 HydrophobicContact CB-CE2 3.58Å |
| 155 | Q | 93.1 | Very high | 92.3 | Very high | 117 Ų | 117 | 65.2 Ų | 65.2 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 174.2 | -174.6 | 173 | -7.6 | 0 | 0 | 111.5 | Q151 R152 Q153 A157 G158 Y160 | Q151-Q155 WeakPolarHBondContact O-CB 3.3Å; Q151-Q155 PolarHBondContact O-N 3.39Å; R152-Q155 PolarHBondContact O-N 3.33Å; Q153-Q155 VanDerWaalsContact C-N 3.34Å; Q153-Q155 PolarHBondContact O-N 3.43Å; Q155-A157 VanDerWaalsContact C-N 3.25Å; Q155-A157 PolarHBondContact O-N 2.92Å; Q155-G158 PolarHBondContact O-N 2.89Å; Q155-G158 VanDerWaalsContact O-N 3.07Å; Q155-Y160 HydrophobicContact CB-CD2 3.92Å; Q155-Y160 HydrophobicContact CB-CE2 4.29Å |
| 156 | N | 93.9 | Very high | 91.7 | Very high | 133 Ų | 133 | 65.2 Ų | 65.2 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.4 | -31.3 | 174.2 | -70.1 | -11.9 | 0 | 0 | 0 | 112.3 | R152 Q153 G158 | R152-N156 WeakPolarHBondContact O-CB 3.02Å; R152-N156 VanDerWaalsContact O-CG 3.24Å; R152-N156 PolarHBondContact O-N 3.26Å; R152-N156 PolarHBondContact O-ND2 3.21Å; Q153-N156 PolarHBondContact O-N 2.97Å; N156-G158 VanDerWaalsContact C-N 3.26Å; N156-G158 PolarHBondContact O-N 3.23Å |
| 157 | A | 93.3 | Very high | 91.1 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T100 Q153 R154 Q155 M159 | T100-A157 HydrophobicContact CG2-CB 3.94Å; Q153-A157 WeakPolarHBondContact O-CB 3.24Å; Q153-A157 PolarHBondContact O-N 3.42Å; R154-A157 CarbonylContact O-C 3.56Å; R154-A157 PolarHBondContact O-N 3.03Å; Q155-A157 VanDerWaalsContact C-N 3.25Å; Q155-A157 PolarHBondContact O-N 2.92Å; A157-M159 VanDerWaalsContact C-N 3.3Å; A157-M159 HydrophobicContact CB-CG 4.15Å; A157-M159 HydrophobicContact CB-SD 4.41Å; A157-M159 PolarHBondContact O-N 2.79Å |
| 158 | G | 91.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 69.8 Ų | 69.8 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 11.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R154 Q155 N156 Y160 L161 N164 | R154-G158 PolarHBondContact O-N 3.21Å; Q155-G158 PolarHBondContact O-N 2.89Å; Q155-G158 VanDerWaalsContact O-N 3.07Å; N156-G158 VanDerWaalsContact C-N 3.26Å; N156-G158 PolarHBondContact O-N 3.23Å; G158-Y160 PolarHBondContact O-N 2.86Å; G158-L161 WeakPolarHBondContact O-CB 3.27Å; G158-L161 WeakPolarHBondContact O-CG 3.46Å; G158-L161 PolarHBondContact O-N 2.73Å; G158-L161 VanDerWaalsContact O-N 3.15Å; G158-N164 PolarHBondContact O-ND2 3.14Å |
| 159 | M | 92.4 | Very high | 89.8 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 16% | 0.163 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.3 | -176.2 | -61.4 | 177.4 | 72.7 | 0 | 0 | 113.6 | Q6 R154 A157 M166 | Q6-M159 PolarHBondContact NE2-O 2.75Å; R154-M159 HydrophobicContact CB-CB 4.33Å; R154-M159 HydrophobicContact CB-SD 4.1Å; R154-M159 HydrophobicContact CG-SD 3.77Å; R154-M159 PolarHBondContact O-N 3.43Å; A157-M159 VanDerWaalsContact C-N 3.3Å; A157-M159 HydrophobicContact CB-CG 4.15Å; A157-M159 HydrophobicContact CB-SD 4.41Å; A157-M159 PolarHBondContact O-N 2.79Å; M159-M166 HydrophobicContact CE-CE 3.69Å |
| 160 | Y | 90.5 | Very high | 89.1 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 11% | 0.114 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.8 | 175.1 | -68.7 | -81.7 | 0 | 0 | 0 | 113.8 | R4 Q6 V32 Q151 R154 Q155 G158 | R4-Y160 HydrophobicContact CB-CD1 4.19Å; R4-Y160 WeakPolarHBondContact CG-O 3.48Å; R4-Y160 WeakPolarHBondContact O-CD1 3.43Å; Q6-Y160 HydrophobicContact CG-CD1 4.01Å; Q6-Y160 HydrophobicContact CG-CE1 3.36Å; Q6-Y160 HydrophobicContact CG-CE2 4.45Å; V32-Y160 VanDerWaalsContact O-CE1 3.28Å; V32-Y160 WeakPolarHBondContact O-CE1 3.4Å; V32-Y160 PolarHBondContact O-OH 3.38Å; Q151-Y160 HydrophobicContact CG-CE2 3.97Å; R154-Y160 HydrophobicContact CB-CD2 4.19Å; R154-Y160 HydrophobicContact CB-CE2 3.58Å; Q155-Y160 HydrophobicContact CB-CD2 3.92Å; Q155-Y160 HydrophobicContact CB-CE2 4.29Å; G158-Y160 PolarHBondContact O-N 2.86Å |
| 161 | L | 87.2 | Confident | 88.5 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -71.2 | 141.8 | 172.8 | -64.3 | 173.2 | 0 | 0 | 0 | 110.1 | G158 E163 N164 | G158-L161 WeakPolarHBondContact O-CB 3.27Å; G158-L161 WeakPolarHBondContact O-CG 3.46Å; G158-L161 PolarHBondContact O-N 2.73Å; G158-L161 VanDerWaalsContact O-N 3.15Å; L161-E163 HydrophobicContact CB-CG 4.08Å; L161-E163 PolarHBondContact O-N 3.04Å; L161-N164 PolarHBondContact O-N 2.79Å |
| 162 | R | 79.9 | Confident | 87.9 | Confident | 200 Ų | 200 | 75.3 Ų | 75.3 | 76% | 0.755 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -60.9 | -34.5 | -174.3 | -173.4 | 176.5 | -174.5 | -179.9 | -0.5 | 112.6 | A3 N164 S165 | A3-R162 HydrophobicContact CB-CG 3.73Å; R162-N164 PolarHBondContact O-N 3.06Å; R162-S165 WeakPolarHBondContact O-CB 3.45Å; R162-S165 PolarHBondContact O-N 3.18Å |
| 163 | E | 83.7 | Confident | 87.4 | Confident | 164 Ų | 164 | 71 Ų | 71 | 77% | 0.766 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -66.6 | -22.9 | 176.6 | 62.3 | -160.8 | -177.3 | 0 | 0 | 113.5 | L161 | L161-E163 HydrophobicContact CB-CG 4.08Å; L161-E163 PolarHBondContact O-N 3.04Å |
| 164 | N | 84.6 | Confident | 86.8 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -99.6 | 21.9 | 178.3 | -62.4 | -29.2 | 0 | 0 | 0 | 112.1 | G158 L161 R162 M166 | G158-N164 PolarHBondContact O-ND2 3.14Å; L161-N164 PolarHBondContact O-N 2.79Å; R162-N164 PolarHBondContact O-N 3.06Å; N164-M166 PolarHBondContact O-N 3.08Å |
| 165 | S | 84 | Confident | 86.2 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | trans | -62.5 | 123.1 | -178 | -166.6 | 0 | 0 | 0 | 0 | 111.4 | A3 R162 L167 Q172 | A3-S165 VanDerWaalsContact CA-OG 3.25Å; A3-S165 WeakPolarHBondContact CA-OG 3.36Å; A3-S165 WeakPolarHBondContact O-CA 3.46Å; A3-S165 WeakPolarHBondContact O-CB 3.48Å; A3-S165 PolarHBondContact O-OG 2.9Å; R162-S165 WeakPolarHBondContact O-CB 3.45Å; R162-S165 PolarHBondContact O-N 3.18Å; S165-L167 VanDerWaalsContact C-N 3.35Å; S165-Q172 PolarHBondContact OG-NE2 2.55Å | ||
| 166 | M | 84.4 | Confident | 85.7 | Confident | 74 Ų | 74 | 70 Ų | 70 | 37% | 0.365 | 37% | 0.366 | S | S | . | . | trans | -86.5 | -6.6 | 175.5 | -70.3 | -175.5 | -83.9 | 0 | 0 | 113.3 | P7 D8 M159 N164 | P7-M166 HydrophobicContact CG-CB 3.74Å; D8-M166 HydrophobicContact CB-SD 4.46Å; D8-M166 WeakPolarHBondContact OD1-CE 3.39Å; M159-M166 HydrophobicContact CE-CE 3.69Å; N164-M166 PolarHBondContact O-N 3.08Å | ||
| 167 | L | 83.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -93.9 | 120.8 | -177.9 | -158.8 | 73.1 | 0 | 0 | 0 | 110 | R5 S165 E171 Q172 L175 | R5-L167 HydrophobicContact CB-CD2 4.34Å; R5-L167 HydrophobicContact CG-CD2 4.5Å; S165-L167 VanDerWaalsContact C-N 3.35Å; L167-E171 HydrophobicContact CD1-CB 4.45Å; L167-E171 HydrophobicContact CD1-CG 4.02Å; L167-E171 HydrophobicContact CD2-CG 4.32Å; L167-E171 HydrophobicContact CG-CB 4.18Å; L167-E171 HydrophobicContact CG-CG 4.16Å; L167-Q172 HydrophobicContact CB-CG 4.23Å; L167-Q172 HydrophobicContact CD2-CG 3.92Å; L167-Q172 HydrophobicContact CG-CG 4.27Å; L167-Q172 PolarHBondContact O-NE2 2.96Å; L167-L175 HydrophobicContact CD2-CD1 3.65Å |
| 168 | P | 84.6 | Confident | 84.7 | Confident | 87 Ų | 87 | 63 Ų | 63 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | trans | -55.7 | 145.5 | 179.4 | -25.3 | 33.9 | 0 | 0 | 0 | 112.4 | A170 E171 Q172 | P168-A170 PolarHBondContact O-N 3.41Å; P168-E171 PolarHBondContact O-N 2.82Å; P168-Q172 PolarHBondContact O-N 2.78Å | ||
| 169 | E | 82 | Confident | 83.9 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 67% | 0.673 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.5 | -37 | -177.6 | -170.5 | 170.5 | -163 | 0 | 0 | 112.6 | E171 Q172 Q173 | E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.1Å; E169-Q172 WeakPolarHBondContact O-CB 3.5Å; E169-Q172 PolarHBondContact O-N 2.62Å; E169-Q173 WeakPolarHBondContact O-CG 3.33Å; E169-Q173 PolarHBondContact O-N 3.36Å |
| 170 | A | 82.2 | Confident | 82.9 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | P168 Q173 R174 | P168-A170 PolarHBondContact O-N 3.41Å; A170-Q173 PolarHBondContact O-N 3.19Å; A170-R174 WeakPolarHBondContact O-CB 3.29Å; A170-R174 PolarHBondContact O-N 2.89Å |
| 171 | E | 83 | Confident | 82.1 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 20% | 0.201 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.3 | -33.7 | 177.5 | -169.9 | 66.1 | -171.9 | 0 | 0 | 110.8 | L167 P168 E169 R174 L175 | L167-E171 HydrophobicContact CD1-CB 4.45Å; L167-E171 HydrophobicContact CD1-CG 4.02Å; L167-E171 HydrophobicContact CD2-CG 4.32Å; L167-E171 HydrophobicContact CG-CB 4.18Å; L167-E171 HydrophobicContact CG-CG 4.16Å; P168-E171 PolarHBondContact O-N 2.82Å; E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.1Å; E171-R174 VanDerWaalsContact CD-NH1 3.3Å; E171-R174 PolarHBondContact O-N 3.14Å; E171-R174 IonicContact OE1-CZ 2.87Å; E171-R174 IonicContact OE1-NH1 2.71Å; E171-R174 PolarHBondContact OE1-NH1 2.97Å; E171-R174 IonicContact OE1-NH2 3.67Å; E171-R174 IonicContact OE2-CZ 3.65Å; E171-R174 IonicContact OE2-NH1 3.64Å; E171-R174 PolarHBondContact OE2-NH1 2.81Å; E171-R174 VanDerWaalsContact OE2-NH1 3.09Å; E171-L175 VanDerWaalsContact O-CG 3.31Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 2.75Å |
| 172 | Q | 83.9 | Confident | 81.2 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 170.2 | -65.1 | -177.1 | 45.1 | 0 | 0 | 111.3 | L2 S165 L167 P168 E169 L175 L176 | L2-Q172 HydrophobicContact CB-CB 4.46Å; L2-Q172 HydrophobicContact CB-CG 4.3Å; L2-Q172 VanDerWaalsContact CD1-O 3.23Å; L2-Q172 WeakPolarHBondContact CD1-O 3.4Å; S165-Q172 PolarHBondContact OG-NE2 2.55Å; L167-Q172 HydrophobicContact CB-CG 4.23Å; L167-Q172 HydrophobicContact CD2-CG 3.92Å; L167-Q172 HydrophobicContact CG-CG 4.27Å; L167-Q172 PolarHBondContact O-NE2 2.96Å; P168-Q172 PolarHBondContact O-N 2.78Å; E169-Q172 WeakPolarHBondContact O-CB 3.5Å; E169-Q172 PolarHBondContact O-N 2.62Å; Q172-L175 PolarHBondContact O-N 2.76Å; Q172-L176 VanDerWaalsContact O-CB 3.29Å; Q172-L176 WeakPolarHBondContact O-CB 3.25Å; Q172-L176 PolarHBondContact O-N 2.71Å |
| 173 | Q | 84.8 | Confident | 80.5 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 178 | -71.1 | -67.2 | -19.9 | 0 | 0 | 112 | E169 A170 L175 L176 F177 V198 | E169-Q173 WeakPolarHBondContact O-CG 3.33Å; E169-Q173 PolarHBondContact O-N 3.36Å; A170-Q173 PolarHBondContact O-N 3.19Å; Q173-L175 PolarHBondContact O-N 3.18Å; Q173-L176 WeakPolarHBondContact O-CB 3.34Å; Q173-L176 PolarHBondContact O-N 3.27Å; Q173-F177 WeakPolarHBondContact O-CB 3.41Å; Q173-F177 PolarHBondContact O-N 2.98Å; Q173-V198 VanDerWaalsContact OE1-N 3.14Å; Q173-V198 PolarHBondContact OE1-O 3.46Å |
| 174 | R | 85.2 | Confident | 80 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 172.4 | 171.2 | 178.3 | 160.5 | -131 | -20.3 | 111.8 | A170 E171 L176 F177 E178 Y195 | A170-R174 WeakPolarHBondContact O-CB 3.29Å; A170-R174 PolarHBondContact O-N 2.89Å; E171-R174 VanDerWaalsContact CD-NH1 3.3Å; E171-R174 PolarHBondContact O-N 3.14Å; E171-R174 IonicContact OE1-CZ 2.87Å; E171-R174 IonicContact OE1-NH1 2.71Å; E171-R174 PolarHBondContact OE1-NH1 2.97Å; E171-R174 IonicContact OE1-NH2 3.67Å; E171-R174 IonicContact OE2-CZ 3.65Å; E171-R174 IonicContact OE2-NH1 3.64Å; E171-R174 PolarHBondContact OE2-NH1 2.81Å; E171-R174 VanDerWaalsContact OE2-NH1 3.09Å; R174-L176 VanDerWaalsContact C-N 3.31Å; R174-L176 PolarHBondContact O-N 3.41Å; R174-F177 PolarHBondContact O-N 3.47Å; R174-E178 HydrophobicContact CG-CG 4.23Å; R174-E178 IonicContact CZ-OE1 2.97Å; R174-E178 IonicContact NE-OE1 2.72Å; R174-E178 PolarHBondContact NE-OE1 2.95Å; R174-E178 IonicContact NE-OE2 3.65Å; R174-E178 IonicContact NH2-OE1 3.76Å; R174-E178 IonicContact NH2-OE2 3.21Å; R174-E178 WeakPolarHBondContact O-CB 3.22Å; R174-E178 WeakPolarHBondContact O-CG 3.27Å; R174-E178 PolarHBondContact O-N 2.94Å; R174-Y195 HydrophobicContact CB-CD2 4.07Å; R174-Y195 HydrophobicContact CG-CD2 3.55Å; R174-Y195 HydrophobicContact CG-CE2 3.61Å; R174-Y195 HydrophobicContact CG-CG 4.31Å |
| 175 | L | 82.4 | Confident | 79.6 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | -179.9 | -70.3 | 171.1 | 0 | 0 | 0 | 112.2 | L2 L167 E171 Q172 Q173 F177 G179 | L2-L175 HydrophobicContact CD1-CB 3.91Å; L2-L175 HydrophobicContact CD2-CB 4.04Å; L2-L175 HydrophobicContact CD2-CD1 4.02Å; L167-L175 HydrophobicContact CD2-CD1 3.65Å; E171-L175 VanDerWaalsContact O-CG 3.31Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 2.75Å; Q172-L175 PolarHBondContact O-N 2.76Å; Q173-L175 PolarHBondContact O-N 3.18Å; L175-F177 VanDerWaalsContact C-N 3.35Å; L175-G179 PolarHBondContact O-N 2.96Å |
| 176 | L | 82.7 | Confident | 79.1 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.8 | -167.5 | 76 | 0 | 0 | 0 | 110.6 | L2 Q172 Q173 R174 G180 V198 | L2-L176 HydrophobicContact CD1-CB 4Å; L2-L176 HydrophobicContact CD1-CD1 4.25Å; Q172-L176 VanDerWaalsContact O-CB 3.29Å; Q172-L176 WeakPolarHBondContact O-CB 3.25Å; Q172-L176 PolarHBondContact O-N 2.71Å; Q173-L176 WeakPolarHBondContact O-CB 3.34Å; Q173-L176 PolarHBondContact O-N 3.27Å; R174-L176 VanDerWaalsContact C-N 3.31Å; R174-L176 PolarHBondContact O-N 3.41Å; L176-G180 PolarHBondContact O-N 2.94Å; L176-V198 HydrophobicContact CD2-CB 3.76Å; L176-V198 HydrophobicContact CD2-CG1 4.08Å; L176-V198 HydrophobicContact CD2-CG2 4.49Å; L176-V198 HydrophobicContact CG-CB 4.42Å |
| 177 | F | 83.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 176.1 | -173.8 | -94.9 | 0 | 0 | 0 | 112.5 | Q173 R174 L175 G179 G180 Y181 L184 A185 Y195 P196 V198 I204 W210 | Q173-F177 WeakPolarHBondContact O-CB 3.41Å; Q173-F177 PolarHBondContact O-N 2.98Å; R174-F177 PolarHBondContact O-N 3.47Å; L175-F177 VanDerWaalsContact C-N 3.35Å; F177-G179 VanDerWaalsContact C-N 3.29Å; F177-G179 PolarHBondContact O-N 3.43Å; F177-G180 PolarHBondContact O-N 2.95Å; F177-Y181 AromaticContact CD2-CD2 3.99Å; F177-Y181 HydrophobicContact CD2-CD2 3.99Å; F177-Y181 HydrophobicContact CE2-CD2 4.15Å; F177-Y181 CarbonylContact O-C 3.56Å; F177-Y181 WeakPolarHBondContact O-CA 3.36Å; F177-Y181 WeakPolarHBondContact O-CB 3.39Å; F177-Y181 PolarHBondContact O-N 3.18Å; F177-L184 HydrophobicContact CE1-CB 4.16Å; F177-L184 HydrophobicContact CZ-CB 3.72Å; F177-L184 HydrophobicContact CZ-CD1 4.49Å; F177-A185 HydrophobicContact CD1-CB 4.06Å; F177-A185 HydrophobicContact CE1-CB 4.06Å; F177-Y195 AromaticContact CD1-CD1 3.55Å; F177-Y195 HydrophobicContact CD1-CD1 3.55Å; F177-Y195 HydrophobicContact CD1-CE1 4.29Å; F177-Y195 HydrophobicContact CD1-CG 4.27Å; F177-Y195 AromaticContact CE1-CD1 3.81Å; F177-Y195 HydrophobicContact CE1-CD1 3.81Å; F177-Y195 HydrophobicContact CE1-CE1 4.48Å; F177-P196 HydrophobicContact CD2-CG 3.83Å; F177-P196 HydrophobicContact CE2-CG 3.34Å; F177-P196 HydrophobicContact CZ-CG 3.82Å; F177-V198 HydrophobicContact CB-CG2 4.19Å; F177-V198 HydrophobicContact CD2-CG2 3.94Å; F177-I204 HydrophobicContact CD2-CG1 4.34Å; F177-I204 HydrophobicContact CE2-CD1 3.72Å; F177-I204 HydrophobicContact CE2-CG1 3.87Å; F177-I204 HydrophobicContact CE2-CG2 4.15Å; F177-I204 HydrophobicContact CZ-CD1 4.49Å; F177-W210 HydrophobicContact CZ-CH2 4Å; F177-W210 HydrophobicContact CZ-CZ2 4.08Å |
| 178 | E | 82.4 | Confident | 78.1 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 177.6 | -70 | -173.4 | 176.3 | 0 | 0 | 112.1 | R174 P182 A185 Y195 | R174-E178 HydrophobicContact CG-CG 4.23Å; R174-E178 IonicContact CZ-OE1 2.97Å; R174-E178 IonicContact NE-OE1 2.72Å; R174-E178 PolarHBondContact NE-OE1 2.95Å; R174-E178 IonicContact NE-OE2 3.65Å; R174-E178 IonicContact NH2-OE1 3.76Å; R174-E178 IonicContact NH2-OE2 3.21Å; R174-E178 WeakPolarHBondContact O-CB 3.22Å; R174-E178 WeakPolarHBondContact O-CG 3.27Å; R174-E178 PolarHBondContact O-N 2.94Å; E178-P182 VanDerWaalsContact O-CA 3.32Å; E178-P182 WeakPolarHBondContact O-CA 3.5Å; E178-A185 HydrophobicContact CB-CB 4.18Å; E178-A185 HydrophobicContact CG-CB 3.85Å; E178-Y195 HydrophobicContact CG-CE1 4.34Å; E178-Y195 VanDerWaalsContact OE1-CZ 3.24Å; E178-Y195 PolarHBondContact OE1-OH 3.26Å |
| 179 | G | 74 | Confident | 77.8 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -78.4 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L175 F177 | L175-G179 PolarHBondContact O-N 2.96Å; F177-G179 VanDerWaalsContact C-N 3.29Å; F177-G179 PolarHBondContact O-N 3.43Å |
| 180 | G | 72.6 | Confident | 77.2 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.8 | -33.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L176 F177 | L176-G180 PolarHBondContact O-N 2.94Å; F177-G180 PolarHBondContact O-N 2.95Å |
| 181 | Y | 73 | Confident | 76.6 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | trans | -133.6 | 62.3 | -174.2 | -57.6 | -79.2 | 0 | 0 | 0 | 112.3 | F177 V183 L184 A185 V198 G202 I204 | F177-Y181 AromaticContact CD2-CD2 3.99Å; F177-Y181 HydrophobicContact CD2-CD2 3.99Å; F177-Y181 HydrophobicContact CE2-CD2 4.15Å; F177-Y181 CarbonylContact O-C 3.56Å; F177-Y181 WeakPolarHBondContact O-CA 3.36Å; F177-Y181 WeakPolarHBondContact O-CB 3.39Å; F177-Y181 PolarHBondContact O-N 3.18Å; Y181-V183 PolarHBondContact O-N 2.85Å; Y181-V183 VanDerWaalsContact O-N 3.09Å; Y181-L184 HydrophobicContact CD1-CD1 3.92Å; Y181-L184 HydrophobicContact CG-CD1 4.1Å; Y181-L184 PolarHBondContact O-N 3.35Å; Y181-L184 VanDerWaalsContact O-N 3.1Å; Y181-A185 WeakPolarHBondContact O-CB 3.42Å; Y181-A185 PolarHBondContact O-N 3.48Å; Y181-V198 HydrophobicContact CE2-CG2 4.25Å; Y181-G202 PolarHBondContact OH-O 3.17Å; Y181-I204 HydrophobicContact CD1-CD1 3.91Å; Y181-I204 HydrophobicContact CD2-CD1 3.83Å; Y181-I204 HydrophobicContact CD2-CG1 3.9Å; Y181-I204 HydrophobicContact CE1-CD1 3.83Å; Y181-I204 HydrophobicContact CE1-CG1 4.3Å; Y181-I204 HydrophobicContact CE2-CD1 3.75Å; Y181-I204 HydrophobicContact CE2-CG1 3.46Å; Y181-I204 VanDerWaalsContact CE2-CG1 3.46Å; Y181-I204 HydrophobicContact CG-CD1 3.89Å; Y181-I204 HydrophobicContact CG-CG1 4.46Å | ||
| 182 | P | 68.6 | Low | 76.4 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -28.4 | -171.6 | 23.6 | -34.7 | 0 | 0 | 0 | 113.8 | E178 K186 | E178-P182 VanDerWaalsContact O-CA 3.32Å; E178-P182 WeakPolarHBondContact O-CA 3.5Å; P182-K186 WeakPolarHBondContact O-CG 3.4Å; P182-K186 PolarHBondContact O-N 3.41Å; P182-K186 VanDerWaalsContact O-N 3.15Å |
| 183 | V | 64.9 | Low | 76.3 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -74.2 | -49 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | Y181 A185 K186 V187 L379 T382 | Y181-V183 PolarHBondContact O-N 2.85Å; Y181-V183 VanDerWaalsContact O-N 3.09Å; V183-A185 VanDerWaalsContact C-N 3.29Å; V183-A185 PolarHBondContact O-N 3.49Å; V183-K186 WeakPolarHBondContact O-CB 3.36Å; V183-K186 PolarHBondContact O-N 2.9Å; V183-V187 WeakPolarHBondContact O-CG2 3.41Å; V183-V187 PolarHBondContact O-N 3.21Å; V183-V187 VanDerWaalsContact O-N 3.09Å; V183-L379 HydrophobicContact CG1-CD2 3.66Å; V183-T382 HydrophobicContact CB-CG2 3.99Å; V183-T382 HydrophobicContact CG2-CG2 3.58Å |
| 184 | L | 72.9 | Confident | 76.2 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.6 | -60.9 | 178.4 | 0 | 0 | 0 | 111.3 | F177 Y181 K186 V187 A188 I204 M214 | F177-L184 HydrophobicContact CE1-CB 4.16Å; F177-L184 HydrophobicContact CZ-CB 3.72Å; F177-L184 HydrophobicContact CZ-CD1 4.49Å; Y181-L184 HydrophobicContact CD1-CD1 3.92Å; Y181-L184 HydrophobicContact CG-CD1 4.1Å; Y181-L184 PolarHBondContact O-N 3.35Å; Y181-L184 VanDerWaalsContact O-N 3.1Å; L184-K186 PolarHBondContact O-N 3.4Å; L184-V187 PolarHBondContact O-N 3.39Å; L184-V187 VanDerWaalsContact O-N 3.14Å; L184-A188 WeakPolarHBondContact O-CB 3.26Å; L184-A188 PolarHBondContact O-N 2.86Å; L184-I204 HydrophobicContact CD1-CD1 3.37Å; L184-M214 HydrophobicContact CB-CE 4.22Å; L184-M214 HydrophobicContact CD2-CE 3.42Å; L184-M214 VanDerWaalsContact CD2-CE 3.42Å; L184-M214 HydrophobicContact CG-CE 4.42Å |
| 185 | A | 77.3 | Confident | 76.2 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F177 E178 Y181 V183 V187 A188 K189 Y195 | F177-A185 HydrophobicContact CD1-CB 4.06Å; F177-A185 HydrophobicContact CE1-CB 4.06Å; E178-A185 HydrophobicContact CB-CB 4.18Å; E178-A185 HydrophobicContact CG-CB 3.85Å; Y181-A185 WeakPolarHBondContact O-CB 3.42Å; Y181-A185 PolarHBondContact O-N 3.48Å; V183-A185 VanDerWaalsContact C-N 3.29Å; V183-A185 PolarHBondContact O-N 3.49Å; A185-V187 VanDerWaalsContact C-N 3.28Å; A185-V187 PolarHBondContact O-N 2.9Å; A185-A188 PolarHBondContact O-N 3.3Å; A185-K189 WeakPolarHBondContact O-CB 3.42Å; A185-K189 PolarHBondContact O-N 3.03Å; A185-Y195 HydrophobicContact CB-CE1 4.32Å |
| 186 | K | 71.7 | Confident | 76.3 | Confident | 134 Ų | 134 | 56.3 Ų | 56.3 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.7 | -38.3 | 174 | -82.2 | 173.9 | -177.2 | 167.7 | 0 | 111.8 | P182 V183 L184 R190 | P182-K186 WeakPolarHBondContact O-CG 3.4Å; P182-K186 PolarHBondContact O-N 3.41Å; P182-K186 VanDerWaalsContact O-N 3.15Å; V183-K186 WeakPolarHBondContact O-CB 3.36Å; V183-K186 PolarHBondContact O-N 2.9Å; L184-K186 PolarHBondContact O-N 3.4Å; K186-R190 WeakPolarHBondContact O-CB 3.42Å; K186-R190 VanDerWaalsContact O-CG 3.25Å; K186-R190 WeakPolarHBondContact O-CG 3.22Å; K186-R190 PolarHBondContact O-N 3.35Å |
| 187 | V | 68.6 | Low | 76.3 | Confident | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.1 | -50 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | V183 L184 A185 K189 R190 K191 M214 | V183-V187 WeakPolarHBondContact O-CG2 3.41Å; V183-V187 PolarHBondContact O-N 3.21Å; V183-V187 VanDerWaalsContact O-N 3.09Å; L184-V187 PolarHBondContact O-N 3.39Å; L184-V187 VanDerWaalsContact O-N 3.14Å; A185-V187 VanDerWaalsContact C-N 3.28Å; A185-V187 PolarHBondContact O-N 2.9Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 3.31Å; V187-R190 PolarHBondContact O-N 2.87Å; V187-R190 VanDerWaalsContact O-N 3.17Å; V187-K191 HydrophobicContact CG1-CD 4.29Å; V187-K191 WeakPolarHBondContact O-CG 3.46Å; V187-K191 PolarHBondContact O-N 3.26Å; V187-M214 HydrophobicContact CB-CE 3.86Å; V187-M214 HydrophobicContact CB-SD 4.19Å; V187-M214 HydrophobicContact CG1-CE 3.75Å; V187-M214 HydrophobicContact CG1-SD 3.56Å; V187-M214 VanDerWaalsContact CG1-SD 3.56Å |
| 188 | A | 78.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.2 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L184 A185 R190 K191 G192 L193 Y195 W210 | L184-A188 WeakPolarHBondContact O-CB 3.26Å; L184-A188 PolarHBondContact O-N 2.86Å; A185-A188 PolarHBondContact O-N 3.3Å; A188-R190 PolarHBondContact O-N 3.17Å; A188-K191 CarbonylContact O-C 3.55Å; A188-K191 PolarHBondContact O-N 2.69Å; A188-K191 VanDerWaalsContact O-N 3.1Å; A188-G192 PolarHBondContact O-N 2.97Å; A188-L193 HydrophobicContact CB-CB 4.18Å; A188-L193 PolarHBondContact O-N 3.07Å; A188-Y195 HydrophobicContact CB-CD1 4.09Å; A188-Y195 HydrophobicContact CB-CE1 4.04Å; A188-W210 HydrophobicContact CB-CZ2 4.43Å |
| 189 | K | 79.8 | Confident | 76.2 | Confident | 141 Ų | 141 | 58.2 Ų | 58.2 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 176.9 | -172.2 | 170.7 | -174.7 | 163.5 | 0 | 113.2 | A185 V187 K191 G192 | A185-K189 WeakPolarHBondContact O-CB 3.42Å; A185-K189 PolarHBondContact O-N 3.03Å; V187-K189 VanDerWaalsContact C-N 3.34Å; V187-K189 PolarHBondContact O-N 3.31Å; K189-K191 VanDerWaalsContact C-N 3.25Å; K189-K191 PolarHBondContact O-N 3.28Å; K189-G192 PolarHBondContact O-N 2.99Å |
| 190 | R | 69.4 | Low | 76.2 | Confident | 178 Ų | 178 | 67 Ų | 67 | 67% | 0.672 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.6 | -29.4 | 176.6 | -79.3 | 172.8 | 178.2 | 166.7 | -1.6 | 112.5 | K186 V187 A188 | K186-R190 WeakPolarHBondContact O-CB 3.42Å; K186-R190 VanDerWaalsContact O-CG 3.25Å; K186-R190 WeakPolarHBondContact O-CG 3.22Å; K186-R190 PolarHBondContact O-N 3.35Å; V187-R190 PolarHBondContact O-N 2.87Å; V187-R190 VanDerWaalsContact O-N 3.17Å; A188-R190 PolarHBondContact O-N 3.17Å |
| 191 | K | 69.2 | Low | 76.3 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 30% | 0.3 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -90.5 | -11.1 | 180 | -71 | -169.2 | 165.8 | -152.6 | 0 | 114.5 | V187 A188 K189 L193 T213 | V187-K191 HydrophobicContact CG1-CD 4.29Å; V187-K191 WeakPolarHBondContact O-CG 3.46Å; V187-K191 PolarHBondContact O-N 3.26Å; A188-K191 CarbonylContact O-C 3.55Å; A188-K191 PolarHBondContact O-N 2.69Å; A188-K191 VanDerWaalsContact O-N 3.1Å; K189-K191 VanDerWaalsContact C-N 3.25Å; K189-K191 PolarHBondContact O-N 3.28Å; K191-L193 HydrophobicContact CB-CD1 4.02Å; K191-L193 HydrophobicContact CB-CG 3.78Å; K191-L193 HydrophobicContact CD-CD1 3.74Å; K191-L193 HydrophobicContact CD-CG 4.35Å; K191-L193 PolarHBondContact O-N 3.48Å; K191-T213 HydrophobicContact CD-CG2 4.25Å; K191-T213 PolarHBondContact NZ-O 2.94Å |
| 192 | G | 78.6 | Confident | 76.2 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 27.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A188 K189 | A188-G192 PolarHBondContact O-N 2.97Å; K189-G192 PolarHBondContact O-N 2.99Å |
| 193 | L | 80.7 | Confident | 76.4 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 142.5 | 173.5 | -70.2 | 172 | 0 | 0 | 0 | 109.9 | A188 K191 T213 M214 | A188-L193 HydrophobicContact CB-CB 4.18Å; A188-L193 PolarHBondContact O-N 3.07Å; K191-L193 HydrophobicContact CB-CD1 4.02Å; K191-L193 HydrophobicContact CB-CG 3.78Å; K191-L193 HydrophobicContact CD-CD1 3.74Å; K191-L193 HydrophobicContact CD-CG 4.35Å; K191-L193 PolarHBondContact O-N 3.48Å; L193-T213 HydrophobicContact CD1-CG2 4.03Å; L193-T213 HydrophobicContact CD2-CG2 4.14Å; L193-M214 HydrophobicContact CD1-CG 4.24Å; L193-M214 HydrophobicContact CD1-SD 3.92Å |
| 194 | P | 82.7 | Confident | 77.2 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 145.2 | 169.7 | 27.8 | -33.3 | 0 | 0 | 0 | 109.9 | W210 | P194-W210 PolarHBondContact O-NE1 2.63Š|
| 195 | Y | 86.2 | Confident | 77.6 | Confident | 59 Ų | 59 | 77 Ų | 77 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 124.2 | 173.3 | -61.1 | -65.9 | 0 | 0 | 0 | 108.9 | R174 F177 E178 A185 A188 | R174-Y195 HydrophobicContact CB-CD2 4.07Å; R174-Y195 HydrophobicContact CG-CD2 3.55Å; R174-Y195 HydrophobicContact CG-CE2 3.61Å; R174-Y195 HydrophobicContact CG-CG 4.31Å; F177-Y195 AromaticContact CD1-CD1 3.55Å; F177-Y195 HydrophobicContact CD1-CD1 3.55Å; F177-Y195 HydrophobicContact CD1-CE1 4.29Å; F177-Y195 HydrophobicContact CD1-CG 4.27Å; F177-Y195 AromaticContact CE1-CD1 3.81Å; F177-Y195 HydrophobicContact CE1-CD1 3.81Å; F177-Y195 HydrophobicContact CE1-CE1 4.48Å; E178-Y195 HydrophobicContact CG-CE1 4.34Å; E178-Y195 VanDerWaalsContact OE1-CZ 3.24Å; E178-Y195 PolarHBondContact OE1-OH 3.26Å; A185-Y195 HydrophobicContact CB-CE1 4.32Å; A188-Y195 HydrophobicContact CB-CD1 4.09Å; A188-Y195 HydrophobicContact CB-CE1 4.04Å |
| 196 | P | 84.3 | Confident | 77.6 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 8% | 0.078 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 161.4 | 179.1 | 30.1 | -35.1 | 0 | 0 | 0 | 111.3 | F177 I204 E205 A206 W210 | F177-P196 HydrophobicContact CD2-CG 3.83Å; F177-P196 HydrophobicContact CE2-CG 3.34Å; F177-P196 HydrophobicContact CZ-CG 3.82Å; P196-I204 HydrophobicContact CB-CG2 3.66Å; P196-I204 HydrophobicContact CG-CG2 3.3Å; P196-E205 VanDerWaalsContact CB-O 3.3Å; P196-E205 WeakPolarHBondContact CB-O 3Å; P196-A206 HydrophobicContact CB-CB 3.78Å; P196-A206 HydrophobicContact CG-CB 4.39Å; P196-W210 HydrophobicContact CG-CH2 4.07Å; P196-W210 HydrophobicContact CG-CZ2 3.76Å |
| 197 | H | 83.3 | Confident | 77.9 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.9 | 174.4 | -79.4 | -81.9 | 0 | 0 | 0 | 110.2 | E205 | H197-E205 HydrophobicContact CB-CB 4.33Å; H197-E205 PolarHBondContact O-N 2.79Å |
| 198 | V | 81.9 | Confident | 78.1 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.8 | 169.5 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | Q173 L176 F177 Y181 E203 | Q173-V198 VanDerWaalsContact OE1-N 3.14Å; Q173-V198 PolarHBondContact OE1-O 3.46Å; L176-V198 HydrophobicContact CD2-CB 3.76Å; L176-V198 HydrophobicContact CD2-CG1 4.08Å; L176-V198 HydrophobicContact CD2-CG2 4.49Å; L176-V198 HydrophobicContact CG-CB 4.42Å; F177-V198 HydrophobicContact CB-CG2 4.19Å; F177-V198 HydrophobicContact CD2-CG2 3.94Å; Y181-V198 HydrophobicContact CE2-CG2 4.25Å; V198-E203 CarbonylContact C-O 3.58Å; V198-E203 VanDerWaalsContact CA-O 3.3Å; V198-E203 WeakPolarHBondContact CA-O 3.46Å |
| 199 | N | 80.6 | Confident | 77.8 | Confident | 33 Ų | 33 | 85.3 Ų | 85.3 | 18% | 0.176 | 45% | 0.452 | C | S | . | . | trans | -73.4 | 176.3 | -176.4 | 76.5 | 12.2 | 0 | 0 | 0 | 111.8 | Q201 G202 E203 E205 | N199-Q201 PolarHBondContact O-N 3.03Å; N199-Q201 WeakPolarHBondContact OD1-CA 3.47Å; N199-Q201 WeakPolarHBondContact OD1-CB 3.32Å; N199-Q201 PolarHBondContact OD1-N 2.94Å; N199-G202 PolarHBondContact O-N 3.35Å; N199-G202 PolarHBondContact OD1-N 3.11Å; N199-G202 VanDerWaalsContact OD1-N 3.08Å; N199-E203 PolarHBondContact N-O 3.03Å; N199-E203 PolarHBondContact ND2-OE2 3.08Å; N199-E203 VanDerWaalsContact ND2-OE2 3.11Å; N199-E203 PolarHBondContact OD1-N 2.85Å; N199-E205 HydrophobicContact CB-CG 4.06Å; N199-E205 VanDerWaalsContact CB-OE1 3.27Å; N199-E205 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 200 | Q | 75.6 | Confident | 77.8 | Confident | 209 Ų | 209 | 79.2 Ų | 79.2 | 98% | 0.977 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.9 | -178.9 | -64.5 | -174.1 | 10.8 | 0 | 0 | 113.8 | G202 | Q200-G202 VanDerWaalsContact C-N 3.26Š|
| 201 | Q | 74.3 | Confident | 78 | Confident | 154 Ų | 154 | 75 Ų | 75 | 72% | 0.72 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.8 | 175.6 | -65.9 | 165.9 | -14.5 | 0 | 0 | 112 | N199 E203 | N199-Q201 PolarHBondContact O-N 3.03Å; N199-Q201 WeakPolarHBondContact OD1-CA 3.47Å; N199-Q201 WeakPolarHBondContact OD1-CB 3.32Å; N199-Q201 PolarHBondContact OD1-N 2.94Å; Q201-E203 HydrophobicContact CB-CG 4.15Å; Q201-E203 PolarHBondContact OE1-OE2 2.98Å |
| 202 | G | 70.2 | Confident | 78 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 82.2 | 19.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y181 N199 Q200 | Y181-G202 PolarHBondContact OH-O 3.17Å; N199-G202 PolarHBondContact O-N 3.35Å; N199-G202 PolarHBondContact OD1-N 3.11Å; N199-G202 VanDerWaalsContact OD1-N 3.08Å; Q200-G202 VanDerWaalsContact C-N 3.26Å |
| 203 | E | 74.2 | Confident | 77.6 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | trans | -98.4 | 153.5 | 178.7 | -50.9 | 173 | 149.7 | 0 | 0 | 111.3 | V198 N199 Q201 | V198-E203 CarbonylContact C-O 3.58Å; V198-E203 VanDerWaalsContact CA-O 3.3Å; V198-E203 WeakPolarHBondContact CA-O 3.46Å; N199-E203 PolarHBondContact N-O 3.03Å; N199-E203 PolarHBondContact ND2-OE2 3.08Å; N199-E203 VanDerWaalsContact ND2-OE2 3.11Å; N199-E203 PolarHBondContact OD1-N 2.85Å; Q201-E203 HydrophobicContact CB-CG 4.15Å; Q201-E203 PolarHBondContact OE1-OE2 2.98Å | ||
| 204 | I | 80.8 | Confident | 77.1 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.6 | -179.4 | -62.4 | 166.4 | 0 | 0 | 0 | 110.2 | F177 Y181 L184 P196 A206 W211 | F177-I204 HydrophobicContact CD2-CG1 4.34Å; F177-I204 HydrophobicContact CE2-CD1 3.72Å; F177-I204 HydrophobicContact CE2-CG1 3.87Å; F177-I204 HydrophobicContact CE2-CG2 4.15Å; F177-I204 HydrophobicContact CZ-CD1 4.49Å; Y181-I204 HydrophobicContact CD1-CD1 3.91Å; Y181-I204 HydrophobicContact CD2-CD1 3.83Å; Y181-I204 HydrophobicContact CD2-CG1 3.9Å; Y181-I204 HydrophobicContact CE1-CD1 3.83Å; Y181-I204 HydrophobicContact CE1-CG1 4.3Å; Y181-I204 HydrophobicContact CE2-CD1 3.75Å; Y181-I204 HydrophobicContact CE2-CG1 3.46Å; Y181-I204 VanDerWaalsContact CE2-CG1 3.46Å; Y181-I204 HydrophobicContact CG-CD1 3.89Å; Y181-I204 HydrophobicContact CG-CG1 4.46Å; L184-I204 HydrophobicContact CD1-CD1 3.37Å; P196-I204 HydrophobicContact CB-CG2 3.66Å; P196-I204 HydrophobicContact CG-CG2 3.3Å; I204-A206 HydrophobicContact CG2-CB 4.07Å; I204-A206 PolarHBondContact O-N 3.15Å; I204-W211 HydrophobicContact CB-CH2 4.38Å; I204-W211 HydrophobicContact CB-CZ2 4.05Å; I204-W211 HydrophobicContact CD1-CH2 4.13Å; I204-W211 HydrophobicContact CG2-CH2 4.38Å; I204-W211 HydrophobicContact CG2-CZ2 3.95Å |
| 205 | E | 80.8 | Confident | 76.6 | Confident | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 97.1 | 170.9 | -73.5 | -179.1 | 176.8 | 0 | 0 | 110 | P196 H197 N199 | P196-E205 VanDerWaalsContact CB-O 3.3Å; P196-E205 WeakPolarHBondContact CB-O 3Å; H197-E205 HydrophobicContact CB-CB 4.33Å; H197-E205 PolarHBondContact O-N 2.79Å; N199-E205 HydrophobicContact CB-CG 4.06Å; N199-E205 VanDerWaalsContact CB-OE1 3.27Å; N199-E205 WeakPolarHBondContact CB-OE1 3.45Å |
| 206 | A | 78.4 | Confident | 75.9 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 26% | 0.256 | 39% | 0.39 | S | S | . | . | trans | -133.3 | 150.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P196 I204 W210 | P196-A206 HydrophobicContact CB-CB 3.78Å; P196-A206 HydrophobicContact CG-CB 4.39Å; I204-A206 HydrophobicContact CG2-CB 4.07Å; I204-A206 PolarHBondContact O-N 3.15Å; A206-W210 HydrophobicContact CB-CB 4.03Å; A206-W210 HydrophobicContact CB-CD2 3.84Å; A206-W210 HydrophobicContact CB-CE3 3.66Å; A206-W210 HydrophobicContact CB-CG 4Å; A206-W210 HydrophobicContact CB-CZ3 4.4Å | ||
| 207 | D | 78 | Confident | 75.3 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | trans | -73.1 | 168 | 175.4 | 63.3 | 30.1 | 0 | 0 | 0 | 112.4 | D209 W210 W211 | D207-D209 PolarHBondContact O-N 2.74Å; D207-D209 PolarHBondContact OD1-N 2.95Å; D207-W210 PolarHBondContact O-N 3.04Å; D207-W210 VanDerWaalsContact OD1-CB 3.27Å; D207-W210 WeakPolarHBondContact OD1-CB 3.41Å; D207-W210 PolarHBondContact OD1-N 3.18Å; D207-W211 VanDerWaalsContact O-CD1 3.32Å; D207-W211 PolarHBondContact O-N 3.04Å | ||
| 208 | A | 73 | Confident | 74.5 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.9 | -32.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W211 A212 | A208-W211 PolarHBondContact O-N 2.75Å; A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 2.92Å; A208-A212 PolarHBondContact O-N 2.94Å |
| 209 | D | 71.7 | Confident | 74 | Confident | 122 Ų | 122 | 68.3 Ų | 68.3 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.7 | -37.9 | -179.8 | -73.5 | -15.1 | 0 | 0 | 0 | 111.7 | D207 T213 | D207-D209 PolarHBondContact O-N 2.74Å; D207-D209 PolarHBondContact OD1-N 2.95Å; D209-T213 WeakPolarHBondContact O-CB 3.42Å; D209-T213 PolarHBondContact O-N 3.41Å; D209-T213 PolarHBondContact O-OG1 2.88Å |
| 210 | W | 80.4 | Confident | 73.9 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 174.2 | -168.2 | 100.1 | 0 | 0 | 0 | 110.6 | F177 A188 P194 P196 A206 D207 T213 M214 | F177-W210 HydrophobicContact CZ-CH2 4Å; F177-W210 HydrophobicContact CZ-CZ2 4.08Å; A188-W210 HydrophobicContact CB-CZ2 4.43Å; P194-W210 PolarHBondContact O-NE1 2.63Å; P196-W210 HydrophobicContact CG-CH2 4.07Å; P196-W210 HydrophobicContact CG-CZ2 3.76Å; A206-W210 HydrophobicContact CB-CB 4.03Å; A206-W210 HydrophobicContact CB-CD2 3.84Å; A206-W210 HydrophobicContact CB-CE3 3.66Å; A206-W210 HydrophobicContact CB-CG 4Å; A206-W210 HydrophobicContact CB-CZ3 4.4Å; D207-W210 PolarHBondContact O-N 3.04Å; D207-W210 VanDerWaalsContact OD1-CB 3.27Å; D207-W210 WeakPolarHBondContact OD1-CB 3.41Å; D207-W210 PolarHBondContact OD1-N 3.18Å; W210-T213 PolarHBondContact O-N 2.82Å; W210-M214 HydrophobicContact CD2-CG 4.07Å; W210-M214 HydrophobicContact CE3-CG 3.75Å; W210-M214 HydrophobicContact CH2-CE 4Å; W210-M214 HydrophobicContact CH2-CG 3.75Å; W210-M214 HydrophobicContact CH2-SD 4.22Å; W210-M214 HydrophobicContact CZ2-CG 4.07Å; W210-M214 HydrophobicContact CZ2-SD 4.31Å; W210-M214 HydrophobicContact CZ3-CB 4.4Å; W210-M214 HydrophobicContact CZ3-CG 3.6Å; W210-M214 WeakPolarHBondContact O-CB 3.37Å; W210-M214 VanDerWaalsContact O-CG 3.31Å; W210-M214 WeakPolarHBondContact O-CG 3.13Å; W210-M214 PolarHBondContact O-N 3.42Å |
| 211 | W | 73.9 | Confident | 74.1 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 175.8 | -75.2 | 117.8 | 0 | 0 | 0 | 112.4 | I204 D207 A208 T213 M214 Q215 | I204-W211 HydrophobicContact CB-CH2 4.38Å; I204-W211 HydrophobicContact CB-CZ2 4.05Å; I204-W211 HydrophobicContact CD1-CH2 4.13Å; I204-W211 HydrophobicContact CG2-CH2 4.38Å; I204-W211 HydrophobicContact CG2-CZ2 3.95Å; D207-W211 VanDerWaalsContact O-CD1 3.32Å; D207-W211 PolarHBondContact O-N 3.04Å; A208-W211 PolarHBondContact O-N 2.75Å; W211-T213 VanDerWaalsContact C-N 3.28Å; W211-T213 PolarHBondContact O-N 3.31Å; W211-M214 PolarHBondContact O-N 3.14Å; W211-M214 VanDerWaalsContact O-N 3.13Å; W211-Q215 WeakPolarHBondContact O-CB 3.33Å; W211-Q215 VanDerWaalsContact O-CG 3.3Å; W211-Q215 WeakPolarHBondContact O-CG 3.48Å; W211-Q215 PolarHBondContact O-N 2.98Å |
| 212 | A | 69.5 | Low | 74.3 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A208 M214 Q215 A216 | A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 2.92Å; A208-A212 PolarHBondContact O-N 2.94Å; A212-M214 PolarHBondContact O-N 2.85Å; A212-Q215 PolarHBondContact O-N 3.37Å; A212-A216 PolarHBondContact O-N 3.16Å |
| 213 | T | 69.7 | Low | 74.9 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | K191 L193 D209 W210 W211 | K191-T213 HydrophobicContact CD-CG2 4.25Å; K191-T213 PolarHBondContact NZ-O 2.94Å; L193-T213 HydrophobicContact CD1-CG2 4.03Å; L193-T213 HydrophobicContact CD2-CG2 4.14Å; D209-T213 WeakPolarHBondContact O-CB 3.42Å; D209-T213 PolarHBondContact O-N 3.41Å; D209-T213 PolarHBondContact O-OG1 2.88Å; W210-T213 PolarHBondContact O-N 2.82Å; W211-T213 VanDerWaalsContact C-N 3.28Å; W211-T213 PolarHBondContact O-N 3.31Å |
| 214 | M | 70.4 | Confident | 75.2 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.069 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.7 | -74.6 | -67.8 | -71.6 | 0 | 0 | 112.1 | L184 V187 L193 W210 W211 A212 S219 | L184-M214 HydrophobicContact CB-CE 4.22Å; L184-M214 HydrophobicContact CD2-CE 3.42Å; L184-M214 VanDerWaalsContact CD2-CE 3.42Å; L184-M214 HydrophobicContact CG-CE 4.42Å; V187-M214 HydrophobicContact CB-CE 3.86Å; V187-M214 HydrophobicContact CB-SD 4.19Å; V187-M214 HydrophobicContact CG1-CE 3.75Å; V187-M214 HydrophobicContact CG1-SD 3.56Å; V187-M214 VanDerWaalsContact CG1-SD 3.56Å; L193-M214 HydrophobicContact CD1-CG 4.24Å; L193-M214 HydrophobicContact CD1-SD 3.92Å; W210-M214 HydrophobicContact CD2-CG 4.07Å; W210-M214 HydrophobicContact CE3-CG 3.75Å; W210-M214 HydrophobicContact CH2-CE 4Å; W210-M214 HydrophobicContact CH2-CG 3.75Å; W210-M214 HydrophobicContact CH2-SD 4.22Å; W210-M214 HydrophobicContact CZ2-CG 4.07Å; W210-M214 HydrophobicContact CZ2-SD 4.31Å; W210-M214 HydrophobicContact CZ3-CB 4.4Å; W210-M214 HydrophobicContact CZ3-CG 3.6Å; W210-M214 WeakPolarHBondContact O-CB 3.37Å; W210-M214 VanDerWaalsContact O-CG 3.31Å; W210-M214 WeakPolarHBondContact O-CG 3.13Å; W210-M214 PolarHBondContact O-N 3.42Å; W211-M214 PolarHBondContact O-N 3.14Å; W211-M214 VanDerWaalsContact O-N 3.13Å; A212-M214 PolarHBondContact O-N 2.85Å; M214-S219 WeakPolarHBondContact O-CB 3.4Å; M214-S219 PolarHBondContact O-OG 2.8Å |
| 215 | Q | 71.2 | Confident | 75.1 | Confident | 103 Ų | 103 | 53.9 Ų | 53.9 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -75.4 | -21 | 179.1 | -71.7 | 177.1 | -11.2 | 0 | 0 | 113.7 | W211 A212 A217 T238 V239 | W211-Q215 WeakPolarHBondContact O-CB 3.33Å; W211-Q215 VanDerWaalsContact O-CG 3.3Å; W211-Q215 WeakPolarHBondContact O-CG 3.48Å; W211-Q215 PolarHBondContact O-N 2.98Å; A212-Q215 PolarHBondContact O-N 3.37Å; Q215-A217 PolarHBondContact O-N 2.86Å; Q215-T238 CarbonylContact O-C 3.47Å; Q215-T238 WeakPolarHBondContact O-CA 3.49Å; Q215-T238 WeakPolarHBondContact O-CB 3.48Å; Q215-V239 WeakPolarHBondContact O-CG2 3.16Å; Q215-V239 PolarHBondContact O-N 3.08Å |
| 216 | A | 72.8 | Confident | 75.3 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -58.1 | 133.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A212 G218 S219 | A212-A216 PolarHBondContact O-N 3.16Å; A216-G218 PolarHBondContact O-N 2.77Å; A216-G218 VanDerWaalsContact O-N 3.08Å; A216-S219 WeakPolarHBondContact O-CA 3.5Å; A216-S219 WeakPolarHBondContact O-CB 3.4Å; A216-S219 PolarHBondContact O-N 2.83Å; A216-S219 PolarHBondContact O-OG 3.39Å |
| 217 | A | 70.5 | Confident | 75.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -59.1 | -26 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q215 S219 L220 H237 L242 | Q215-A217 PolarHBondContact O-N 2.86Å; A217-S219 PolarHBondContact O-N 2.84Å; A217-S219 VanDerWaalsContact O-N 3.13Å; A217-L220 PolarHBondContact O-N 2.93Å; A217-H237 WeakPolarHBondContact CB-O 3.46Å; A217-H237 PolarHBondContact N-O 3.12Å; A217-L242 HydrophobicContact CB-CD1 3.89Å |
| 218 | G | 67.7 | Low | 76 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -62.7 | -8.5 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | A216 L220 | A216-G218 PolarHBondContact O-N 2.77Å; A216-G218 VanDerWaalsContact O-N 3.08Å; G218-L220 VanDerWaalsContact C-N 3.31Å |
| 219 | S | 70.6 | Confident | 76.5 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -73 | -23.1 | 172.8 | 76.3 | 0 | 0 | 0 | 0 | 114 | M214 A216 A217 | M214-S219 WeakPolarHBondContact O-CB 3.4Å; M214-S219 PolarHBondContact O-OG 2.8Å; A216-S219 WeakPolarHBondContact O-CA 3.5Å; A216-S219 WeakPolarHBondContact O-CB 3.4Å; A216-S219 PolarHBondContact O-N 2.83Å; A216-S219 PolarHBondContact O-OG 3.39Å; A217-S219 PolarHBondContact O-N 2.84Å; A217-S219 VanDerWaalsContact O-N 3.13Å |
| 220 | L | 79.2 | Confident | 77.2 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -76.6 | 147.4 | -175.1 | -58.3 | -179.5 | 0 | 0 | 0 | 111.5 | A217 G218 G222 V223 V239 L242 L372 Q375 L379 | A217-L220 PolarHBondContact O-N 2.93Å; G218-L220 VanDerWaalsContact C-N 3.31Å; L220-G222 PolarHBondContact O-N 2.84Å; L220-V223 HydrophobicContact CB-CG2 3.95Å; L220-V223 PolarHBondContact O-N 3.01Å; L220-V239 HydrophobicContact CD2-CG2 4.12Å; L220-V239 HydrophobicContact CG-CG2 4.33Å; L220-L242 HydrophobicContact CD1-CD1 3.35Å; L220-L372 HydrophobicContact CB-CD2 3.92Å; L220-L372 HydrophobicContact CD1-CB 4.24Å; L220-L372 HydrophobicContact CD1-CD2 4.09Å; L220-Q375 HydrophobicContact CD2-CB 3.99Å; L220-L379 HydrophobicContact CD2-CD1 3.75Å |
| 221 | T | 78.4 | Confident | 77.5 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 130.3 | -178.3 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | Q375 | T221-Q375 VanDerWaalsContact CB-OE1 3.29Å; T221-Q375 PolarHBondContact O-NE2 3.3Å; T221-Q375 PolarHBondContact OG1-NE2 2.87Å; T221-Q375 PolarHBondContact OG1-OE1 2.83Å |
| 222 | G | 79.1 | Confident | 78.1 | Confident | 65 Ų | 65 | 45 Ų | 45 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -1.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L220 G224 | L220-G222 PolarHBondContact O-N 2.84Å; G222-G224 PolarHBondContact O-N 3.39Å |
| 223 | V | 81.8 | Confident | 78.6 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | trans | -91.5 | 88.3 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | L220 L227 L231 L372 | L220-V223 HydrophobicContact CB-CG2 3.95Å; L220-V223 PolarHBondContact O-N 3.01Å; V223-L227 HydrophobicContact CG1-CB 4.32Å; V223-L227 HydrophobicContact CG1-CG 4.34Å; V223-L227 HydrophobicContact CG2-CD2 4.16Å; V223-L231 HydrophobicContact CG1-CD1 4.04Å; V223-L231 HydrophobicContact CG2-CD1 4.5Å; V223-L372 HydrophobicContact CG2-CD1 4.05Å; V223-L372 HydrophobicContact CG2-CD2 3.31Å; V223-L372 HydrophobicContact CG2-CG 4.33Å | ||
| 224 | G | 80.8 | Confident | 79.2 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | trans | -79.8 | 173.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G222 A226 L227 S228 | G222-G224 PolarHBondContact O-N 3.39Å; G224-A226 PolarHBondContact O-N 3.47Å; G224-A226 VanDerWaalsContact O-N 3.14Å; G224-L227 PolarHBondContact O-N 3.01Å; G224-S228 PolarHBondContact O-N 2.98Å | ||
| 225 | A | 80.1 | Confident | 79.7 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -51.4 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L227 S228 N229 | A225-L227 PolarHBondContact O-N 3.13Å; A225-S228 PolarHBondContact O-N 3.01Å; A225-N229 PolarHBondContact O-N 2.82Å |
| 226 | A | 83.5 | Confident | 80.4 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G224 K230 | G224-A226 PolarHBondContact O-N 3.47Å; G224-A226 VanDerWaalsContact O-N 3.14Å; A226-K230 WeakPolarHBondContact O-CG 3.39Å; A226-K230 PolarHBondContact O-N 2.87Å |
| 227 | L | 86 | Confident | 80.8 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -77.2 | -38.9 | 176.2 | -177.3 | 57.8 | 0 | 0 | 0 | 110.4 | V223 G224 A225 N229 K230 L231 V364 T368 L372 | V223-L227 HydrophobicContact CG1-CB 4.32Å; V223-L227 HydrophobicContact CG1-CG 4.34Å; V223-L227 HydrophobicContact CG2-CD2 4.16Å; G224-L227 PolarHBondContact O-N 3.01Å; A225-L227 PolarHBondContact O-N 3.13Å; L227-N229 PolarHBondContact O-N 3.28Å; L227-K230 WeakPolarHBondContact O-CB 3.28Å; L227-K230 PolarHBondContact O-N 3.34Å; L227-L231 HydrophobicContact CD1-CG 4.35Å; L227-L231 HydrophobicContact CG-CD1 4.17Å; L227-L231 HydrophobicContact CG-CG 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.26Å; L227-L231 PolarHBondContact O-N 3.39Å; L227-V364 HydrophobicContact CD1-CG2 4.38Å; L227-T368 HydrophobicContact CD1-CG2 4.17Å; L227-T368 HydrophobicContact CD2-CG2 3.63Å; L227-L372 HydrophobicContact CD2-CD1 4.42Å |
| 228 | S | 84.9 | Confident | 81.5 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 112 | G224 A225 K230 L231 A232 | G224-S228 PolarHBondContact O-N 2.98Å; A225-S228 PolarHBondContact O-N 3.01Å; S228-K230 VanDerWaalsContact C-N 3.25Å; S228-K230 PolarHBondContact O-N 3.4Å; S228-L231 PolarHBondContact O-N 2.74Å; S228-A232 PolarHBondContact O-N 3.37Å |
| 229 | N | 84.8 | Confident | 82.4 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.9 | -30.5 | 176 | -71.9 | -12.6 | 0 | 0 | 0 | 113.2 | A225 L227 K233 | A225-N229 PolarHBondContact O-N 2.82Å; L227-N229 PolarHBondContact O-N 3.28Å; N229-K233 PolarHBondContact O-N 3.3Å |
| 230 | K | 86.7 | Confident | 83.1 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.5 | -37.4 | 175.8 | -71.7 | 173.6 | 177.3 | 179.9 | 0 | 112.3 | A226 L227 S228 A232 K233 V364 | A226-K230 WeakPolarHBondContact O-CG 3.39Å; A226-K230 PolarHBondContact O-N 2.87Å; L227-K230 WeakPolarHBondContact O-CB 3.28Å; L227-K230 PolarHBondContact O-N 3.34Å; S228-K230 VanDerWaalsContact C-N 3.25Å; S228-K230 PolarHBondContact O-N 3.4Å; K230-A232 VanDerWaalsContact C-N 3.34Å; K230-K233 WeakPolarHBondContact O-CB 3.48Å; K230-K233 PolarHBondContact O-N 2.97Å; K230-V364 HydrophobicContact CB-CG2 3.86Å |
| 231 | L | 86.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 173.5 | -69.8 | 174 | 0 | 0 | 0 | 110.9 | V223 L227 S228 K233 I234 N235 L236 V364 L369 L372 | V223-L231 HydrophobicContact CG1-CD1 4.04Å; V223-L231 HydrophobicContact CG2-CD1 4.5Å; L227-L231 HydrophobicContact CD1-CG 4.35Å; L227-L231 HydrophobicContact CG-CD1 4.17Å; L227-L231 HydrophobicContact CG-CG 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.26Å; L227-L231 PolarHBondContact O-N 3.39Å; S228-L231 PolarHBondContact O-N 2.74Å; L231-K233 PolarHBondContact O-N 3.15Å; L231-I234 HydrophobicContact CD2-CD1 4.42Å; L231-I234 CarbonylContact O-C 3.53Å; L231-I234 WeakPolarHBondContact O-CG1 3.45Å; L231-I234 PolarHBondContact O-N 3.11Å; L231-N235 PolarHBondContact O-N 2.97Å; L231-L236 CarbonylContact C-O 3.58Å; L231-L236 HydrophobicContact CB-CB 4.08Å; L231-L236 WeakPolarHBondContact CB-O 3.43Å; L231-L236 HydrophobicContact CD2-CD1 4.08Å; L231-L236 PolarHBondContact O-N 2.75Å; L231-V364 HydrophobicContact CD2-CG1 4.47Å; L231-L369 HydrophobicContact CD2-CD2 4.17Å; L231-L372 HydrophobicContact CD1-CD1 3.86Å; L231-L372 HydrophobicContact CD2-CD1 4.29Å |
| 232 | A | 85.1 | Confident | 84 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.7 | -30.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S228 K230 I234 N235 | S228-A232 PolarHBondContact O-N 3.37Å; K230-A232 VanDerWaalsContact C-N 3.34Å; A232-I234 PolarHBondContact O-N 2.94Å; A232-N235 PolarHBondContact O-N 3.23Å |
| 233 | K | 81.6 | Confident | 84.5 | Confident | 161 Ų | 161 | 51.8 Ų | 51.8 | 70% | 0.7 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.8 | 175.2 | -68.2 | -176 | 178 | -170.5 | 0 | 114 | N229 K230 L231 | N229-K233 PolarHBondContact O-N 3.3Å; K230-K233 WeakPolarHBondContact O-CB 3.48Å; K230-K233 PolarHBondContact O-N 2.97Å; L231-K233 PolarHBondContact O-N 3.15Å |
| 234 | I | 81.1 | Confident | 84.8 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 24.7 | 173.5 | 52.4 | 171.7 | 0 | 0 | 0 | 111 | L231 A232 L236 T361 | L231-I234 HydrophobicContact CD2-CD1 4.42Å; L231-I234 CarbonylContact O-C 3.53Å; L231-I234 WeakPolarHBondContact O-CG1 3.45Å; L231-I234 PolarHBondContact O-N 3.11Å; A232-I234 PolarHBondContact O-N 2.94Å; I234-L236 HydrophobicContact CD1-CD1 3.49Å; I234-L236 VanDerWaalsContact CD1-CD1 3.49Å; I234-L236 HydrophobicContact CD1-CG 4.12Å; I234-L236 HydrophobicContact CG1-CB 4.49Å; I234-L236 HydrophobicContact CG1-CD1 3.86Å; I234-L236 HydrophobicContact CG1-CG 3.92Å; I234-L236 PolarHBondContact O-N 2.68Å; I234-T361 HydrophobicContact CD1-CG2 4.47Å; I234-T361 HydrophobicContact CG1-CG2 4.45Å; I234-T361 VanDerWaalsContact CG2-CB 3.5Å; I234-T361 HydrophobicContact CG2-CG2 3.59Å |
| 235 | N | 80.7 | Confident | 85.3 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 57% | 0.572 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30.7 | 178.1 | -57.4 | -26.9 | 0 | 0 | 0 | 114.5 | L231 A232 | L231-N235 PolarHBondContact O-N 2.97Å; A232-N235 PolarHBondContact O-N 3.23Å |
| 236 | L | 85.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | trans | -101.9 | 88.6 | 176.2 | -58.1 | -178.3 | 0 | 0 | 0 | 110.2 | L231 I234 D241 L242 H245 L369 | L231-L236 CarbonylContact C-O 3.58Å; L231-L236 HydrophobicContact CB-CB 4.08Å; L231-L236 WeakPolarHBondContact CB-O 3.43Å; L231-L236 HydrophobicContact CD2-CD1 4.08Å; L231-L236 PolarHBondContact O-N 2.75Å; I234-L236 HydrophobicContact CD1-CD1 3.49Å; I234-L236 VanDerWaalsContact CD1-CD1 3.49Å; I234-L236 HydrophobicContact CD1-CG 4.12Å; I234-L236 HydrophobicContact CG1-CB 4.49Å; I234-L236 HydrophobicContact CG1-CD1 3.86Å; I234-L236 HydrophobicContact CG1-CG 3.92Å; I234-L236 PolarHBondContact O-N 2.68Å; L236-D241 HydrophobicContact CB-CB 4.5Å; L236-D241 HydrophobicContact CD2-CB 3.85Å; L236-D241 WeakPolarHBondContact CD2-O 3.45Å; L236-L242 HydrophobicContact CD1-CD2 3.89Å; L236-H245 HydrophobicContact CD1-CB 4.36Å; L236-H245 HydrophobicContact CD2-CB 3.81Å; L236-L369 HydrophobicContact CD1-CD2 4.33Å | ||
| 237 | H | 83.2 | Confident | 86.1 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | trans | -100.3 | -31.3 | -177.3 | -62.6 | -79.8 | 0 | 0 | 0 | 112.6 | A217 D241 | A217-H237 WeakPolarHBondContact CB-O 3.46Å; A217-H237 PolarHBondContact N-O 3.12Å; H237-D241 PolarHBondContact N-OD2 3.02Å | ||
| 238 | T | 84.6 | Confident | 86.2 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -122 | 167 | -173.8 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | Q215 Q240 D241 L242 | Q215-T238 CarbonylContact O-C 3.47Å; Q215-T238 WeakPolarHBondContact O-CA 3.49Å; Q215-T238 WeakPolarHBondContact O-CB 3.48Å; T238-Q240 PolarHBondContact O-N 3.11Å; T238-Q240 PolarHBondContact OG1-N 3.17Å; T238-D241 PolarHBondContact N-OD2 2.99Å; T238-D241 PolarHBondContact O-N 3.48Å; T238-D241 PolarHBondContact OG1-N 3.09Å; T238-D241 PolarHBondContact OG1-OD2 3.11Å; T238-L242 PolarHBondContact O-N 2.99Å |
| 239 | V | 86.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -34.7 | 170.1 | 178 | 0 | 0 | 0 | 0 | 110.2 | Q215 L220 L242 L243 A376 L379 | Q215-V239 WeakPolarHBondContact O-CG2 3.16Å; Q215-V239 PolarHBondContact O-N 3.08Å; L220-V239 HydrophobicContact CD2-CG2 4.12Å; L220-V239 HydrophobicContact CG-CG2 4.33Å; V239-L242 WeakPolarHBondContact O-CB 3.37Å; V239-L242 PolarHBondContact O-N 3.14Å; V239-L243 HydrophobicContact CG1-CD1 4.42Å; V239-L243 WeakPolarHBondContact O-CG 3.37Å; V239-L243 PolarHBondContact O-N 3.41Å; V239-A376 HydrophobicContact CG1-CB 3.83Å; V239-L379 HydrophobicContact CG1-CD1 4.13Å; V239-L379 HydrophobicContact CG2-CD1 4.27Å |
| 240 | Q | 86.1 | Confident | 86.5 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 174.1 | -176.7 | 176 | -58.6 | 0 | 0 | 111.5 | T238 L242 L243 L244 R888 | T238-Q240 PolarHBondContact O-N 3.11Å; T238-Q240 PolarHBondContact OG1-N 3.17Å; Q240-L242 VanDerWaalsContact C-N 3.26Å; Q240-L242 PolarHBondContact O-N 2.97Å; Q240-L243 PolarHBondContact O-N 3.22Å; Q240-L244 HydrophobicContact CG-CD1 4.07Å; Q240-L244 WeakPolarHBondContact O-CG 3.49Å; Q240-L244 PolarHBondContact O-N 3.16Å; Q240-R888 PolarHBondContact NE2-O 2.89Å |
| 241 | D | 86.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 175.4 | -58.3 | -39.8 | 0 | 0 | 0 | 111.2 | L236 H237 T238 L244 H245 | L236-D241 HydrophobicContact CB-CB 4.5Å; L236-D241 HydrophobicContact CD2-CB 3.85Å; L236-D241 WeakPolarHBondContact CD2-O 3.45Å; H237-D241 PolarHBondContact N-OD2 3.02Å; T238-D241 PolarHBondContact N-OD2 2.99Å; T238-D241 PolarHBondContact O-N 3.48Å; T238-D241 PolarHBondContact OG1-N 3.09Å; T238-D241 PolarHBondContact OG1-OD2 3.11Å; D241-L244 CarbonylContact O-C 3.51Å; D241-L244 PolarHBondContact O-N 3.14Å; D241-H245 WeakPolarHBondContact O-CB 3.23Å; D241-H245 PolarHBondContact O-N 3.28Å |
| 242 | L | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -36.9 | 175.9 | -79.7 | 165.3 | 0 | 0 | 0 | 113.3 | A217 L220 L236 T238 V239 Q240 H245 L372 | A217-L242 HydrophobicContact CB-CD1 3.89Å; L220-L242 HydrophobicContact CD1-CD1 3.35Å; L236-L242 HydrophobicContact CD1-CD2 3.89Å; T238-L242 PolarHBondContact O-N 2.99Å; V239-L242 WeakPolarHBondContact O-CB 3.37Å; V239-L242 PolarHBondContact O-N 3.14Å; Q240-L242 VanDerWaalsContact C-N 3.26Å; Q240-L242 PolarHBondContact O-N 2.97Å; L242-H245 PolarHBondContact O-N 3.37Å; L242-L372 HydrophobicContact CD1-CB 4.39Å; L242-L372 HydrophobicContact CD2-CB 4.26Å |
| 243 | L | 89.6 | Confident | 86.5 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.5 | -31.7 | 174.1 | -72.2 | 171.7 | 0 | 0 | 0 | 112 | V239 Q240 H245 A376 L377 L380 L404 H408 | V239-L243 HydrophobicContact CG1-CD1 4.42Å; V239-L243 WeakPolarHBondContact O-CG 3.37Å; V239-L243 PolarHBondContact O-N 3.41Å; Q240-L243 PolarHBondContact O-N 3.22Å; L243-H245 VanDerWaalsContact C-N 3.31Å; L243-A376 HydrophobicContact CD2-CB 3.72Å; L243-A376 HydrophobicContact CG-CB 3.95Å; L243-L377 HydrophobicContact CD2-CD2 3.95Å; L243-L377 HydrophobicContact CD2-CG 4.45Å; L243-L380 HydrophobicContact CD1-CD1 4.43Å; L243-L380 HydrophobicContact CD2-CD2 4.33Å; L243-L404 HydrophobicContact CB-CD1 4.25Å; L243-L404 WeakPolarHBondContact O-CD2 3.35Å; L243-H408 PolarHBondContact O-NE2 2.99Å |
| 244 | L | 89.2 | Confident | 86.6 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -88.2 | -0 | 176 | -63 | 176.5 | 0 | 0 | 0 | 112.8 | Q240 D241 L246 L404 K853 R888 W889 | Q240-L244 HydrophobicContact CG-CD1 4.07Å; Q240-L244 WeakPolarHBondContact O-CG 3.49Å; Q240-L244 PolarHBondContact O-N 3.16Å; D241-L244 CarbonylContact O-C 3.51Å; D241-L244 PolarHBondContact O-N 3.14Å; L244-L246 PolarHBondContact O-N 3.11Å; L244-L246 VanDerWaalsContact O-N 3.13Å; L244-L404 HydrophobicContact CD2-CD2 4.24Å; L244-K853 HydrophobicContact CB-CD 4.17Å; L244-R888 HydrophobicContact CD1-CG 4.37Å; L244-W889 HydrophobicContact CD2-CH2 3.99Å; L244-W889 HydrophobicContact CD2-CZ2 4.19Å; L244-W889 HydrophobicContact CD2-CZ3 4.42Å |
| 245 | H | 90.1 | Very high | 86.7 | Confident | 24 Ų | 24 | 46 Ų | 46 | 11% | 0.111 | 22% | 0.223 | C | C | . | . | trans | -83.9 | 78.4 | 174.4 | -168.3 | 59.1 | 0 | 0 | 0 | 110.7 | L236 D241 L242 L243 Y358 P359 H408 | L236-H245 HydrophobicContact CD1-CB 4.36Å; L236-H245 HydrophobicContact CD2-CB 3.81Å; D241-H245 WeakPolarHBondContact O-CB 3.23Å; D241-H245 PolarHBondContact O-N 3.28Å; L242-H245 PolarHBondContact O-N 3.37Å; L243-H245 VanDerWaalsContact C-N 3.31Å; H245-Y358 AromaticContact CD2-CD1 3.91Å; H245-Y358 WeakPolarHBondContact O-CD1 3.42Å; H245-Y358 WeakPolarHBondContact O-CE1 3.45Å; H245-P359 PolarHBondContact NE2-O 2.8Å; H245-H408 PolarHBondContact O-CE1 3.48Å | ||
| 246 | L | 91 | Very high | 87 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | trans | -73.7 | 155.1 | -171.2 | -60.2 | -174.2 | 0 | 0 | 0 | 113.7 | L244 P359 L407 L430 V854 | L244-L246 PolarHBondContact O-N 3.11Å; L244-L246 VanDerWaalsContact O-N 3.13Å; L246-P359 WeakPolarHBondContact O-CD 3.19Å; L246-L407 HydrophobicContact CD1-CD1 4.16Å; L246-L407 HydrophobicContact CD2-CB 4.29Å; L246-L407 HydrophobicContact CD2-CD1 4.36Å; L246-L430 HydrophobicContact CD1-CD1 3.82Å; L246-L430 HydrophobicContact CD2-CD1 4.22Å; L246-V854 HydrophobicContact CD1-CB 4.12Å; L246-V854 HydrophobicContact CD1-CG1 3.74Å; L246-V854 HydrophobicContact CD1-CG2 3.37Å; L246-V854 HydrophobicContact CG-CG2 4.37Å | ||
| 247 | P | 90.8 | Very high | 87.3 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.104 | 23% | 0.228 | C | C | . | . | trans | -66.1 | 140.5 | 174.1 | -18.9 | 33.3 | 0 | 0 | 0 | 112.7 | Y250 P356 V357 Y358 | P247-Y250 HydrophobicContact CB-CD1 4.42Å; P247-Y250 HydrophobicContact CB-CE1 3.78Å; P247-Y250 HydrophobicContact CG-CE1 3.71Å; P247-P356 HydrophobicContact CB-CB 3.74Å; P247-P356 HydrophobicContact CG-CB 3.4Å; P247-V357 CarbonylContact C-O 3.59Å; P247-V357 WeakPolarHBondContact CA-O 3.43Å; P247-Y358 HydrophobicContact CB-CD1 4.47Å; P247-Y358 HydrophobicContact CB-CE1 4.36Å; P247-Y358 HydrophobicContact CG-CD1 4.19Å; P247-Y358 HydrophobicContact CG-CE1 3.62Å | ||
| 248 | L | 86.3 | Confident | 87.7 | Confident | 124 Ų | 124 | 45.7 Ų | 45.7 | 65% | 0.649 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -71.7 | -36.1 | 171.3 | -70.3 | 171.5 | 0 | 0 | 0 | 112.2 | V357 P359 | L248-V357 PolarHBondContact N-O 3.42Å; L248-P359 HydrophobicContact CD1-CB 4.2Å; L248-P359 HydrophobicContact CD1-CG 4.08Å; L248-P359 HydrophobicContact CD2-CG 3.97Å; L248-P359 HydrophobicContact CG-CB 4.41Å; L248-P359 HydrophobicContact CG-CG 3.75Å |
| 249 | R | 87.6 | Confident | 88 | Confident | 143 Ų | 143 | 44.1 Ų | 44.1 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 172.5 | -179.6 | 67.1 | 175 | -174.6 | -96.8 | -0.9 | 109.8 | E251 V357 | R249-E251 IonicContact NE-OE1 2.62Å; R249-E251 IonicContact NH2-OE1 3.14Å; R249-V357 HydrophobicContact CG-CB 3.78Å; R249-V357 HydrophobicContact CG-CG1 4.31Å; R249-V357 HydrophobicContact CG-CG2 4.05Å; R249-V357 PolarHBondContact O-N 3.38Å |
| 250 | Y | 89.4 | Confident | 88.2 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.5 | 177.8 | -55.4 | -84.8 | 0 | 0 | 0 | 109.8 | P247 T355 P356 L407 P410 L416 L419 | P247-Y250 HydrophobicContact CB-CD1 4.42Å; P247-Y250 HydrophobicContact CB-CE1 3.78Å; P247-Y250 HydrophobicContact CG-CE1 3.71Å; Y250-T355 WeakPolarHBondContact CA-O 3.42Å; Y250-P356 HydrophobicContact CD1-CB 4.37Å; Y250-P356 HydrophobicContact CE1-CB 4.36Å; Y250-L407 WeakPolarHBondContact CE1-O 3.26Å; Y250-L407 PolarHBondContact OH-O 2.94Å; Y250-P410 HydrophobicContact CD1-CG 3.5Å; Y250-P410 VanDerWaalsContact CD1-CG 3.5Å; Y250-P410 HydrophobicContact CE1-CG 3.55Å; Y250-P410 HydrophobicContact CG-CG 4.24Å; Y250-L416 HydrophobicContact CD2-CD2 3.92Å; Y250-L416 HydrophobicContact CG-CD2 4.07Å; Y250-L419 HydrophobicContact CD2-CD1 3.91Å; Y250-L419 HydrophobicContact CE2-CB 4.33Å; Y250-L419 HydrophobicContact CE2-CD1 3.5Å; Y250-L419 HydrophobicContact CE2-CG 4.46Å |
| 251 | E | 86.3 | Confident | 88.4 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.4 | 176.2 | -72.9 | 175.6 | -178.1 | 0 | 0 | 108.2 | R249 R253 Y322 T355 V357 | R249-E251 IonicContact NE-OE1 2.62Å; R249-E251 IonicContact NH2-OE1 3.14Å; E251-R253 HydrophobicContact CB-CG 4.42Å; E251-R253 PolarHBondContact O-N 3Å; E251-R253 IonicContact OE2-CZ 3.83Å; E251-R253 IonicContact OE2-NE 3.48Å; E251-R253 PolarHBondContact OE2-NE 3.32Å; E251-R253 IonicContact OE2-NH2 3.06Å; E251-R253 PolarHBondContact OE2-NH2 3.44Å; E251-Y322 HydrophobicContact CB-CE1 4.14Å; E251-Y322 VanDerWaalsContact CB-OH 3.31Å; E251-Y322 WeakPolarHBondContact CB-OH 3.47Å; E251-Y322 HydrophobicContact CG-CE1 4.07Å; E251-Y322 WeakPolarHBondContact CG-OH 2.87Å; E251-Y322 WeakPolarHBondContact OE2-CE1 3.22Å; E251-T355 PolarHBondContact N-O 3.38Å; E251-T355 WeakPolarHBondContact O-CB 3.16Å; E251-T355 PolarHBondContact O-N 3.11Å; E251-V357 VanDerWaalsContact CD-CG2 3.47Å; E251-V357 HydrophobicContact CG-CG2 3.71Å; E251-V357 WeakPolarHBondContact OE1-CG2 3.08Å |
| 252 | D | 86 | Confident | 88.6 | Confident | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | trans | -73.3 | 110 | 171.9 | -173.4 | -10.2 | 0 | 0 | 0 | 109.4 | T254 H255 Y322 L354 | D252-T254 PolarHBondContact OD1-N 3.1Å; D252-T254 PolarHBondContact OD1-OG1 2.93Å; D252-H255 IonicContact OD1-ND1 3.82Å; D252-H255 PolarHBondContact OD1-ND1 3.4Å; D252-H255 IonicContact OD2-CE1 3.26Å; D252-H255 IonicContact OD2-ND1 2.92Å; D252-H255 PolarHBondContact OD2-ND1 2.73Å; D252-Y322 WeakPolarHBondContact O-CE2 3.41Å; D252-L354 HydrophobicContact CB-CD2 3.86Å | ||
| 253 | R | 85.4 | Confident | 88.6 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | trans | -123.7 | 20.6 | 172.9 | -55.8 | -171.6 | -175.5 | -164.2 | 2.3 | 111.6 | E251 Y322 E338 Q351 | E251-R253 HydrophobicContact CB-CG 4.42Å; E251-R253 PolarHBondContact O-N 3Å; E251-R253 IonicContact OE2-CZ 3.83Å; E251-R253 IonicContact OE2-NE 3.48Å; E251-R253 PolarHBondContact OE2-NE 3.32Å; E251-R253 IonicContact OE2-NH2 3.06Å; E251-R253 PolarHBondContact OE2-NH2 3.44Å; R253-Y322 HydrophobicContact CG-CD2 3.86Å; R253-Y322 HydrophobicContact CG-CE2 3.9Å; R253-Y322 HydrophobicContact CG-CG 4.19Å; R253-E338 IonicContact CZ-OE2 2.9Å; R253-E338 IonicContact NH1-OE2 3.07Å; R253-E338 PolarHBondContact NH1-OE2 2.71Å; R253-E338 VanDerWaalsContact NH2-CD 3.29Å; R253-E338 IonicContact NH2-OE1 3.67Å; R253-E338 IonicContact NH2-OE2 2.68Å; R253-E338 PolarHBondContact NH2-OE2 3.39Å; R253-Q351 HydrophobicContact CB-CB 4.42Å; R253-Q351 HydrophobicContact CB-CG 4.12Å; R253-Q351 PolarHBondContact O-N 3.36Å | ||
| 254 | T | 83.3 | Confident | 88.6 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -92.4 | -17.6 | -176.6 | 73.3 | 0 | 0 | 0 | 0 | 110.7 | D252 Q351 L354 P412 | D252-T254 PolarHBondContact OD1-N 3.1Å; D252-T254 PolarHBondContact OD1-OG1 2.93Å; T254-Q351 WeakPolarHBondContact CA-O 3.3Å; T254-Q351 WeakPolarHBondContact CB-O 3.39Å; T254-Q351 WeakPolarHBondContact CG2-O 3.5Å; T254-L354 HydrophobicContact CG2-CD2 4.19Å; T254-P412 HydrophobicContact CG2-CB 4.13Å; T254-P412 HydrophobicContact CG2-CG 3.89Å |
| 255 | H | 83.9 | Confident | 88.5 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | trans | -114.6 | 135.5 | -179.5 | -60.5 | 99.2 | 0 | 0 | 0 | 112.3 | D252 Y257 T269 | D252-H255 IonicContact OD1-ND1 3.82Å; D252-H255 PolarHBondContact OD1-ND1 3.4Å; D252-H255 IonicContact OD2-CE1 3.26Å; D252-H255 IonicContact OD2-ND1 2.92Å; D252-H255 PolarHBondContact OD2-ND1 2.73Å; H255-Y257 HydrophobicContact CB-CE2 4.04Å; H255-T269 WeakPolarHBondContact O-CB 2.93Å | ||
| 256 | L | 88.1 | Confident | 88.4 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -95.6 | 125.8 | 171.1 | -163.2 | 86 | 0 | 0 | 0 | 109.4 | T269 E271 L320 L350 | L256-T269 WeakPolarHBondContact CA-O 3.45Å; L256-T269 HydrophobicContact CD1-CG2 4.32Å; L256-E271 HydrophobicContact CD1-CB 3.91Å; L256-E271 HydrophobicContact CD2-CB 4.02Å; L256-E271 HydrophobicContact CG-CB 4.48Å; L256-L320 HydrophobicContact CD1-CD1 3.47Å; L256-L320 VanDerWaalsContact CD1-CD1 3.47Å; L256-L350 HydrophobicContact CB-CD1 4.42Å; L256-L350 HydrophobicContact CB-CD2 4.48Å; L256-L350 HydrophobicContact CD1-CD2 4.28Å |
| 257 | Y | 90.1 | Very high | 88.3 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 136 | 176.5 | -69.5 | -93.6 | 0 | 0 | 0 | 110.7 | H255 A268 T269 V270 | H255-Y257 HydrophobicContact CB-CE2 4.04Å; Y257-A268 HydrophobicContact CD2-CB 3.73Å; Y257-A268 HydrophobicContact CE2-CB 4.34Å; Y257-A268 HydrophobicContact CG-CB 4.07Å; Y257-T269 PolarHBondContact N-O 3.43Å; Y257-V270 WeakPolarHBondContact O-CG1 3.3Å |
| 258 | P | 91.8 | Very high | 88.3 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 138.6 | 165.2 | -20.4 | 32.6 | 0 | 0 | 0 | 110.4 | G260 E261 D293 | P258-G260 PolarHBondContact O-N 3.5Å; P258-E261 HydrophobicContact CB-CB 4.42Å; P258-E261 HydrophobicContact CB-CG 4.23Å; P258-E261 HydrophobicContact CG-CG 4.4Å; P258-E261 PolarHBondContact O-N 3.28Å; P258-D293 WeakPolarHBondContact CA-OD2 3.39Å |
| 259 | I | 92.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -59.7 | -36 | -178.8 | -66.6 | 176.3 | 0 | 0 | 0 | 111.2 | E261 L262 V270 I291 D293 S295 G296 L298 | I259-E261 PolarHBondContact O-N 3.36Å; I259-L262 HydrophobicContact CG2-CD1 4.36Å; I259-L262 WeakPolarHBondContact O-CG 3.22Å; I259-L262 PolarHBondContact O-N 2.65Å; I259-V270 HydrophobicContact CG1-CB 4.16Å; I259-V270 HydrophobicContact CG1-CG1 4.38Å; I259-I291 HydrophobicContact CD1-CD1 4.4Å; I259-I291 HydrophobicContact CD1-CG1 4.08Å; I259-D293 HydrophobicContact CD1-CB 4.03Å; I259-D293 HydrophobicContact CG1-CB 4.28Å; I259-D293 PolarHBondContact N-OD2 3.35Å; I259-S295 PolarHBondContact N-OG 3.4Å; I259-G296 VanDerWaalsContact CG2-C 3.49Å; I259-L298 HydrophobicContact CD1-CB 4.14Å; I259-L298 HydrophobicContact CG1-CB 4.42Å; I259-L298 HydrophobicContact CG2-CB 3.8Å |
| 260 | G | 89.9 | Confident | 88.8 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 52% | 0.515 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -66.4 | -18 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P258 S295 | P258-G260 PolarHBondContact O-N 3.5Å; G260-S295 PolarHBondContact N-OG 3.48Å |
| 261 | E | 91.1 | Very high | 89 | Confident | 137 Ų | 137 | 53.4 Ų | 53.4 | 64% | 0.64 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -102.2 | 4.2 | -177.8 | -64.8 | -177.1 | -171.8 | 0 | 0 | 113.1 | P258 I259 L263 | P258-E261 HydrophobicContact CB-CB 4.42Å; P258-E261 HydrophobicContact CB-CG 4.23Å; P258-E261 HydrophobicContact CG-CG 4.4Å; P258-E261 PolarHBondContact O-N 3.28Å; I259-E261 PolarHBondContact O-N 3.36Å; E261-L263 PolarHBondContact O-N 3.03Å |
| 262 | L | 89.9 | Confident | 89.2 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 122.7 | -179.8 | -71 | 176.7 | 0 | 0 | 0 | 112.3 | I259 A268 V270 L298 A325 A332 M334 | I259-L262 HydrophobicContact CG2-CD1 4.36Å; I259-L262 WeakPolarHBondContact O-CG 3.22Å; I259-L262 PolarHBondContact O-N 2.65Å; L262-A268 HydrophobicContact CD2-CB 3.47Å; L262-A268 VanDerWaalsContact CD2-CB 3.47Å; L262-V270 HydrophobicContact CD1-CG1 4.04Å; L262-V270 HydrophobicContact CD2-CG1 3.79Å; L262-V270 HydrophobicContact CG-CG1 4.26Å; L262-L298 HydrophobicContact CD1-CD1 3.92Å; L262-L298 HydrophobicContact CD1-CD2 4.31Å; L262-A325 HydrophobicContact CB-CB 4.26Å; L262-A325 HydrophobicContact CD1-CB 4.49Å; L262-A325 HydrophobicContact CD2-CB 4.46Å; L262-A332 HydrophobicContact CD1-CB 4.37Å; L262-M334 HydrophobicContact CD1-CE 4.4Å |
| 263 | L | 89.2 | Confident | 89.6 | Confident | 120 Ų | 120 | 54.5 Ų | 54.5 | 63% | 0.628 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -92.9 | 135.5 | 172.9 | -64.4 | 176.6 | 0 | 0 | 0 | 111.2 | E261 G265 V266 | E261-L263 PolarHBondContact O-N 3.03Å; L263-G265 PolarHBondContact O-N 3.13Å; L263-V266 HydrophobicContact CB-CG2 3.9Å; L263-V266 PolarHBondContact O-N 3.17Å |
| 264 | P | 89.9 | Confident | 90 | Very high | 91 Ų | 91 | 53 Ų | 53 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 134.9 | 175.1 | -23.3 | 33.4 | 0 | 0 | 0 | 112.6 | A325 | P264-A325 CarbonylContact C-O 3.56Å; P264-A325 WeakPolarHBondContact CA-O 3.19Å |
| 265 | G | 86.5 | Confident | 90.4 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L263 A325 | L263-G265 PolarHBondContact O-N 3.13Å; G265-A325 PolarHBondContact N-O 3.44Å |
| 266 | V | 87.1 | Confident | 90.8 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | trans | -93.6 | 136.3 | 179 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | L263 A325 | L263-V266 HydrophobicContact CB-CG2 3.9Å; L263-V266 PolarHBondContact O-N 3.17Å; V266-A325 PolarHBondContact O-N 2.95Å | ||
| 267 | Y | 89.9 | Confident | 91 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 48% | 0.482 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125 | 167.8 | -77.6 | -103.3 | 0 | 0 | 0 | 109.1 | Y322 G323 E324 | Y267-Y322 HydrophobicContact CD1-CE1 4.07Å; Y267-Y322 AromaticContact CD1-CZ 4Å; Y267-G323 WeakPolarHBondContact CA-O 3.32Å; Y267-E324 HydrophobicContact CD1-CB 4.25Å; Y267-E324 HydrophobicContact CD2-CB 4.19Å; Y267-E324 HydrophobicContact CD2-CG 4.22Å; Y267-E324 HydrophobicContact CE1-CB 3.93Å; Y267-E324 HydrophobicContact CE2-CB 3.85Å; Y267-E324 HydrophobicContact CE2-CG 3.86Å; Y267-E324 HydrophobicContact CG-CB 4.38Å |
| 268 | A | 91.3 | Very high | 91 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 149.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y257 L262 Y322 G323 M334 | Y257-A268 HydrophobicContact CD2-CB 3.73Å; Y257-A268 HydrophobicContact CE2-CB 4.34Å; Y257-A268 HydrophobicContact CG-CB 4.07Å; L262-A268 HydrophobicContact CD2-CB 3.47Å; L262-A268 VanDerWaalsContact CD2-CB 3.47Å; A268-Y322 WeakPolarHBondContact O-CA 3.46Å; A268-Y322 WeakPolarHBondContact O-CD2 3.37Å; A268-G323 PolarHBondContact N-O 3.24Å; A268-G323 VanDerWaalsContact N-O 3.1Å; A268-G323 PolarHBondContact O-N 3.19Å; A268-M334 HydrophobicContact CB-CE 4.49Å |
| 269 | T | 91.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.5 | 166.8 | -50.7 | 0 | 0 | 0 | 0 | 108.7 | H255 L256 Y257 L320 A321 Y322 | H255-T269 WeakPolarHBondContact O-CB 2.93Å; L256-T269 WeakPolarHBondContact CA-O 3.45Å; L256-T269 HydrophobicContact CD1-CG2 4.32Å; Y257-T269 PolarHBondContact N-O 3.43Å; T269-L320 HydrophobicContact CG2-CD1 3.74Å; T269-L320 HydrophobicContact CG2-CD2 4.11Å; T269-L320 HydrophobicContact CG2-CG 3.8Å; T269-A321 CarbonylContact C-O 3.52Å; T269-A321 WeakPolarHBondContact CA-O 3.47Å; T269-Y322 WeakPolarHBondContact OG1-CD2 3.27Å |
| 270 | V | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.4 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111 | Y257 I259 L262 I291 L298 L320 A321 M334 | Y257-V270 WeakPolarHBondContact O-CG1 3.3Å; I259-V270 HydrophobicContact CG1-CB 4.16Å; I259-V270 HydrophobicContact CG1-CG1 4.38Å; L262-V270 HydrophobicContact CD1-CG1 4.04Å; L262-V270 HydrophobicContact CD2-CG1 3.79Å; L262-V270 HydrophobicContact CG-CG1 4.26Å; V270-I291 HydrophobicContact CG2-CD1 4.07Å; V270-L298 HydrophobicContact CG2-CD2 3.64Å; V270-L320 CarbonylContact O-C 3.57Å; V270-L320 WeakPolarHBondContact O-CA 3.21Å; V270-A321 HydrophobicContact CG2-CB 4.13Å; V270-A321 PolarHBondContact N-O 2.94Å; V270-A321 PolarHBondContact O-N 3.01Å; V270-M334 HydrophobicContact CG1-CE 4.4Å; V270-M334 HydrophobicContact CG2-CE 4.35Å |
| 271 | E | 92.4 | Very high | 89.8 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.8 | 169.9 | -175.8 | -173.7 | 166.1 | 0 | 0 | 108.3 | L256 D293 R318 V319 L320 Q342 | L256-E271 HydrophobicContact CD1-CB 3.91Å; L256-E271 HydrophobicContact CD2-CB 4.02Å; L256-E271 HydrophobicContact CG-CB 4.48Å; E271-D293 WeakPolarHBondContact O-CB 3.33Å; E271-R318 IonicContact OE1-CZ 2.8Å; E271-R318 IonicContact OE1-NH1 3.82Å; E271-R318 PolarHBondContact OE1-NH1 3.29Å; E271-V319 WeakPolarHBondContact CA-O 3.25Å; E271-L320 HydrophobicContact CB-CD1 4.19Å; E271-Q342 PolarHBondContact OE1-OE1 3.29Å |
| 272 | G | 91.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 156.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S292 V319 | G272-S292 CarbonylContact C-O 3.6Å; G272-S292 VanDerWaalsContact CA-O 3.31Å; G272-S292 WeakPolarHBondContact CA-O 3.35Å; G272-V319 PolarHBondContact N-O 3.43Å; G272-V319 PolarHBondContact O-N 3.4Å |
| 273 | E | 93.3 | Very high | 88.2 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.2 | 170.1 | -171.7 | -178.9 | 150.7 | 0 | 0 | 110 | L275 I291 S292 G316 | E273-L275 PolarHBondContact O-N 3.35Å; E273-L275 VanDerWaalsContact O-N 3.16Å; E273-I291 CarbonylContact O-C 3.5Å; E273-I291 VanDerWaalsContact O-CA 3.22Å; E273-I291 WeakPolarHBondContact O-CA 3.36Å; E273-S292 PolarHBondContact N-O 2.88Å; E273-S292 PolarHBondContact O-N 3.48Å; E273-G316 WeakPolarHBondContact OE1-CA 3.18Å |
| 274 | V | 94 | Very high | 87.7 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 111.7 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | C289 I291 L313 A315 G316 R317 V319 | V274-C289 VanDerWaalsContact CG1-SG 3.57Å; V274-I291 HydrophobicContact CG2-CG2 3.95Å; V274-L313 HydrophobicContact CG2-CD2 4.3Å; V274-A315 CarbonylContact O-C 3.57Å; V274-A315 WeakPolarHBondContact O-CA 3.34Å; V274-G316 PolarHBondContact O-N 2.98Å; V274-R317 WeakPolarHBondContact CG2-O 3.16Å; V274-R317 PolarHBondContact N-O 2.86Å; V274-V319 HydrophobicContact CG2-CB 4.48Å; V274-V319 HydrophobicContact CG2-CG2 3.51Å |
| 275 | L | 92.9 | Very high | 87.6 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -50.1 | 175.1 | -61.5 | -175.4 | 0 | 0 | 0 | 111.2 | E273 Q290 I297 | E273-L275 PolarHBondContact O-N 3.35Å; E273-L275 VanDerWaalsContact O-N 3.16Å; L275-Q290 HydrophobicContact CB-CB 4.39Å; L275-Q290 PolarHBondContact N-O 3.15Å; L275-I297 HydrophobicContact CD1-CD1 4.25Å; L275-I297 HydrophobicContact CD1-CG1 4.3Å |
| 276 | N | 92.1 | Very high | 87.8 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.8 | -179.8 | 63.5 | 48.6 | 0 | 0 | 0 | 111.2 | C289 Q290 | N276-C289 CarbonylContact O-C 3.53Å; N276-C289 WeakPolarHBondContact O-CA 3.32Å; N276-Q290 PolarHBondContact ND2-OE1 3.43Å; N276-Q290 PolarHBondContact O-N 2.99Å; N276-Q290 WeakPolarHBondContact OD1-CG 3.44Å; N276-Q290 PolarHBondContact OD1-OE1 3.23Å |
| 277 | C | 91 | Very high | 88 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 109.6 | 174.3 | -171 | 0 | 0 | 0 | 0 | 109.3 | T288 C289 | C277-T288 WeakPolarHBondContact CA-O 3.38Å; C277-C289 HydrophobicContact CB-CB 4.46Å |
| 278 | N | 90.3 | Very high | 88.2 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.4 | -173.9 | -68.3 | -43.3 | 0 | 0 | 0 | 110.8 | M287 T288 | N278-M287 WeakPolarHBondContact O-CA 3.22Å; N278-T288 PolarHBondContact N-O 3.04Å; N278-T288 PolarHBondContact O-N 2.78Å; N278-T288 PolarHBondContact O-OG1 3.05Å |
| 279 | I | 89.1 | Confident | 88.3 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.6 | 171.2 | -61.2 | 171.7 | 0 | 0 | 0 | 107.1 | F281 R285 M286 M287 F305 K310 | I279-F281 HydrophobicContact CB-CE2 4.31Å; I279-F281 HydrophobicContact CG2-CD2 4.26Å; I279-F281 HydrophobicContact CG2-CE1 4.28Å; I279-F281 HydrophobicContact CG2-CE2 3.72Å; I279-F281 HydrophobicContact CG2-CZ 3.74Å; I279-R285 HydrophobicContact CG2-CG 3.88Å; I279-M286 WeakPolarHBondContact CA-O 3.03Å; I279-M287 HydrophobicContact CG1-CB 4.5Å; I279-M287 HydrophobicContact CG1-CG 4.34Å; I279-F305 HydrophobicContact CD1-CE2 3.71Å; I279-F305 HydrophobicContact CD1-CZ 3.93Å; I279-F305 HydrophobicContact CG1-CE2 4.12Å; I279-F305 HydrophobicContact CG1-CZ 3.99Å; I279-F305 HydrophobicContact CG2-CZ 3.96Å; I279-K310 HydrophobicContact CD1-CD 4.23Å |
| 280 | S | 85.1 | Confident | 88.4 | Confident | 50 Ų | 50 | 59 Ų | 59 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.3 | 171.3 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | M286 | S280-M286 PolarHBondContact N-O 2.9Å; S280-M286 PolarHBondContact O-N 3.05Å; S280-M286 VanDerWaalsContact O-N 3.14Å; S280-M286 WeakPolarHBondContact OG-CG 3.41Å |
| 281 | F | 75.7 | Confident | 88.5 | Confident | 161 Ų | 161 | 59 Ų | 59 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 80.1 | 175.7 | -63.1 | -89.8 | 0 | 0 | 0 | 107.4 | I279 R285 | I279-F281 HydrophobicContact CB-CE2 4.31Å; I279-F281 HydrophobicContact CG2-CD2 4.26Å; I279-F281 HydrophobicContact CG2-CE1 4.28Å; I279-F281 HydrophobicContact CG2-CE2 3.72Å; I279-F281 HydrophobicContact CG2-CZ 3.74Å; F281-R285 HydrophobicContact CD1-CG 4.28Å; F281-R285 HydrophobicContact CE1-CG 4.09Å |
| 282 | G | 72.7 | Confident | 88.5 | Confident | 58 Ų | 58 | 59 Ų | 59 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -92.6 | -147.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R284 | G282-R284 PolarHBondContact O-N 3.25Š|
| 283 | G | 73.9 | Confident | 88.5 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 95% | 0.948 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -62.2 | -23.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 284 | R | 79.4 | Confident | 88.3 | Confident | 213 Ų | 213 | 61 Ų | 61 | 80% | 0.804 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -133 | 145.4 | 165.5 | -75.7 | -176.7 | 176.2 | 173.6 | -1.3 | 109.3 | G282 | G282-R284 PolarHBondContact O-N 3.25Š|
| 285 | R | 88.1 | Confident | 88.1 | Confident | 136 Ų | 136 | 64 Ų | 64 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 130.7 | 173.5 | -171.5 | -176 | -177.9 | -161.3 | -4.3 | 109 | I279 F281 F305 | I279-R285 HydrophobicContact CG2-CG 3.88Å; F281-R285 HydrophobicContact CD1-CG 4.28Å; F281-R285 HydrophobicContact CE1-CG 4.09Å; R285-F305 HydrophobicContact CG-CE1 3.97Å; R285-F305 HydrophobicContact CG-CZ 3.84Å; R285-F305 VanDerWaalsContact NE-CZ 3.27Å |
| 286 | M | 90.7 | Very high | 88 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 19% | 0.192 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148 | 177 | 61.1 | -173.9 | -77 | 0 | 0 | 110.7 | I279 S280 T288 R301 F302 F303 | I279-M286 WeakPolarHBondContact CA-O 3.03Å; S280-M286 PolarHBondContact N-O 2.9Å; S280-M286 PolarHBondContact O-N 3.05Å; S280-M286 VanDerWaalsContact O-N 3.14Å; S280-M286 WeakPolarHBondContact OG-CG 3.41Å; M286-T288 HydrophobicContact CE-CG2 3.9Å; M286-R301 HydrophobicContact CE-CG 3.69Å; M286-R301 VanDerWaalsContact CE-NE 3.3Å; M286-F302 WeakPolarHBondContact CA-O 3.22Å; M286-F303 HydrophobicContact CB-CD1 4.11Å; M286-F303 HydrophobicContact CB-CE1 4.47Å; M286-F303 HydrophobicContact SD-CE1 4.48Å |
| 287 | M | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.6 | 176.2 | -173.3 | -176.5 | 75.4 | 0 | 0 | 109.2 | N278 I279 R301 F302 F305 M309 K310 L313 | N278-M287 WeakPolarHBondContact O-CA 3.22Å; I279-M287 HydrophobicContact CG1-CB 4.5Å; I279-M287 HydrophobicContact CG1-CG 4.34Å; M287-R301 WeakPolarHBondContact O-CA 3.44Å; M287-F302 HydrophobicContact CB-CB 4.46Å; M287-F302 HydrophobicContact CE-CB 4.22Å; M287-F302 HydrophobicContact CE-CD2 3.39Å; M287-F302 HydrophobicContact CE-CE2 3.95Å; M287-F302 HydrophobicContact CE-CG 3.97Å; M287-F302 PolarHBondContact N-O 2.83Å; M287-F302 PolarHBondContact O-N 2.88Å; M287-F305 HydrophobicContact CB-CB 4.48Å; M287-F305 HydrophobicContact CB-CD1 3.65Å; M287-F305 HydrophobicContact CB-CD2 4.19Å; M287-F305 HydrophobicContact CB-CE1 3.76Å; M287-F305 HydrophobicContact CB-CE2 4.29Å; M287-F305 HydrophobicContact CB-CG 3.86Å; M287-F305 HydrophobicContact CB-CZ 4.06Å; M287-F305 HydrophobicContact CE-CB 4.19Å; M287-F305 HydrophobicContact SD-CB 4.32Å; M287-F305 HydrophobicContact SD-CD2 4.01Å; M287-F305 HydrophobicContact SD-CG 4.19Å; M287-M309 HydrophobicContact CE-CG 3.75Å; M287-M309 HydrophobicContact CE-SD 3.82Å; M287-K310 HydrophobicContact SD-CB 4.24Å; M287-K310 HydrophobicContact SD-CG 4.49Å; M287-L313 HydrophobicContact CE-CD1 4Å |
| 288 | T | 92.4 | Very high | 88.2 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 17% | 0.172 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.1 | 174.5 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | C277 N278 M286 T299 M300 R301 | C277-T288 WeakPolarHBondContact CA-O 3.38Å; N278-T288 PolarHBondContact N-O 3.04Å; N278-T288 PolarHBondContact O-N 2.78Å; N278-T288 PolarHBondContact O-OG1 3.05Å; M286-T288 HydrophobicContact CE-CG2 3.9Å; T288-T299 HydrophobicContact CG2-CG2 4.27Å; T288-M300 CarbonylContact C-O 3.47Å; T288-M300 WeakPolarHBondContact CA-O 3.42Å; T288-R301 HydrophobicContact CG2-CG 4.38Å |
| 289 | C | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 118.6 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V274 N276 C277 M300 L313 | V274-C289 VanDerWaalsContact CG1-SG 3.57Å; N276-C289 CarbonylContact O-C 3.53Å; N276-C289 WeakPolarHBondContact O-CA 3.32Å; C277-C289 HydrophobicContact CB-CB 4.46Å; C289-M300 HydrophobicContact CB-CB 4.34Å; C289-M300 HydrophobicContact CB-CE 3.93Å; C289-M300 PolarHBondContact N-O 3.27Å; C289-M300 PolarHBondContact O-N 3.31Å; C289-L313 HydrophobicContact CB-CD1 4.43Å |
| 290 | Q | 94.3 | Very high | 88.7 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 23% | 0.234 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.2 | 177.2 | -68 | -176.2 | -28.8 | 0 | 0 | 109.6 | L275 N276 I297 L298 | L275-Q290 HydrophobicContact CB-CB 4.39Å; L275-Q290 PolarHBondContact N-O 3.15Å; N276-Q290 PolarHBondContact ND2-OE1 3.43Å; N276-Q290 PolarHBondContact O-N 2.99Å; N276-Q290 WeakPolarHBondContact OD1-CG 3.44Å; N276-Q290 PolarHBondContact OD1-OE1 3.23Å; Q290-I297 HydrophobicContact CB-CG2 4.21Å; Q290-I297 HydrophobicContact CG-CG2 4.46Å; Q290-L298 WeakPolarHBondContact CA-O 3.2Å |
| 291 | I | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.6 | 174.5 | 65.7 | 173.6 | 0 | 0 | 0 | 110.4 | I259 V270 E273 V274 I297 L298 M300 A321 | I259-I291 HydrophobicContact CD1-CD1 4.4Å; I259-I291 HydrophobicContact CD1-CG1 4.08Å; V270-I291 HydrophobicContact CG2-CD1 4.07Å; E273-I291 CarbonylContact O-C 3.5Å; E273-I291 VanDerWaalsContact O-CA 3.22Å; E273-I291 WeakPolarHBondContact O-CA 3.36Å; V274-I291 HydrophobicContact CG2-CG2 3.95Å; I291-I297 WeakPolarHBondContact O-CA 3.37Å; I291-L298 HydrophobicContact CD1-CB 4.48Å; I291-L298 HydrophobicContact CD1-CD2 4.15Å; I291-L298 HydrophobicContact CG1-CB 3.9Å; I291-L298 HydrophobicContact CG1-CD2 4.43Å; I291-L298 PolarHBondContact N-O 3.26Å; I291-L298 PolarHBondContact O-N 3.41Å; I291-M300 HydrophobicContact CD1-CG 4.5Å; I291-M300 HydrophobicContact CD1-SD 4.33Å; I291-M300 HydrophobicContact CG2-CE 3.78Å; I291-A321 HydrophobicContact CD1-CB 4.4Å |
| 292 | S | 93.6 | Very high | 89.9 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 19% | 0.189 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 141.7 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | G272 E273 G294 G296 | G272-S292 CarbonylContact C-O 3.6Å; G272-S292 VanDerWaalsContact CA-O 3.31Å; G272-S292 WeakPolarHBondContact CA-O 3.35Å; E273-S292 PolarHBondContact N-O 2.88Å; E273-S292 PolarHBondContact O-N 3.48Å; S292-G294 PolarHBondContact OG-N 3.38Å; S292-G296 WeakPolarHBondContact CA-O 3.36Å; S292-G296 PolarHBondContact OG-O 2.81Å |
| 293 | D | 91 | Very high | 90.6 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | trans | -109.2 | 2.5 | 173.4 | 67.6 | -15.7 | 0 | 0 | 0 | 112.1 | P258 I259 E271 S295 G296 | P258-D293 WeakPolarHBondContact CA-OD2 3.39Å; I259-D293 HydrophobicContact CD1-CB 4.03Å; I259-D293 HydrophobicContact CG1-CB 4.28Å; I259-D293 PolarHBondContact N-OD2 3.35Å; E271-D293 WeakPolarHBondContact O-CB 3.33Å; D293-S295 VanDerWaalsContact C-N 3.33Å; D293-S295 WeakPolarHBondContact OD1-CA 3.32Å; D293-S295 WeakPolarHBondContact OD1-CB 3.34Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 3.13Å; D293-S295 PolarHBondContact OD2-OG 2.84Å; D293-G296 PolarHBondContact OD1-N 3.16Å | ||
| 294 | G | 88.7 | Confident | 91.1 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 76% | 0.763 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 89.5 | -18 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | S292 | S292-G294 PolarHBondContact OG-N 3.38Š|
| 295 | S | 91.1 | Very high | 91.4 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -90.2 | -29.3 | 174.1 | 80.9 | 0 | 0 | 0 | 0 | 112.6 | I259 G260 D293 | I259-S295 PolarHBondContact N-OG 3.4Å; G260-S295 PolarHBondContact N-OG 3.48Å; D293-S295 VanDerWaalsContact C-N 3.33Å; D293-S295 WeakPolarHBondContact OD1-CA 3.32Å; D293-S295 WeakPolarHBondContact OD1-CB 3.34Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 3.13Å; D293-S295 PolarHBondContact OD2-OG 2.84Å |
| 296 | G | 90 | Very high | 91.2 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | trans | -168.2 | -179.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I259 S292 D293 | I259-G296 VanDerWaalsContact CG2-C 3.49Å; S292-G296 WeakPolarHBondContact CA-O 3.36Å; S292-G296 PolarHBondContact OG-O 2.81Å; D293-G296 PolarHBondContact OD1-N 3.16Å | ||
| 297 | I | 93.5 | Very high | 90.9 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.5 | 176.2 | -58.9 | 175.2 | 0 | 0 | 0 | 109 | L275 Q290 I291 | L275-I297 HydrophobicContact CD1-CD1 4.25Å; L275-I297 HydrophobicContact CD1-CG1 4.3Å; Q290-I297 HydrophobicContact CB-CG2 4.21Å; Q290-I297 HydrophobicContact CG-CG2 4.46Å; I291-I297 WeakPolarHBondContact O-CA 3.37Å |
| 298 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133 | 173.8 | -179.3 | 69.3 | 0 | 0 | 0 | 110.2 | I259 L262 V270 Q290 I291 A332 M334 | I259-L298 HydrophobicContact CD1-CB 4.14Å; I259-L298 HydrophobicContact CG1-CB 4.42Å; I259-L298 HydrophobicContact CG2-CB 3.8Å; L262-L298 HydrophobicContact CD1-CD1 3.92Å; L262-L298 HydrophobicContact CD1-CD2 4.31Å; V270-L298 HydrophobicContact CG2-CD2 3.64Å; Q290-L298 WeakPolarHBondContact CA-O 3.2Å; I291-L298 HydrophobicContact CD1-CB 4.48Å; I291-L298 HydrophobicContact CD1-CD2 4.15Å; I291-L298 HydrophobicContact CG1-CB 3.9Å; I291-L298 HydrophobicContact CG1-CD2 4.43Å; I291-L298 PolarHBondContact N-O 3.26Å; I291-L298 PolarHBondContact O-N 3.41Å; L298-A332 HydrophobicContact CD1-CB 3.57Å; L298-M334 HydrophobicContact CD1-CG 4.16Å; L298-M334 HydrophobicContact CD2-CE 3.88Å; L298-M334 HydrophobicContact CD2-CG 4Å; L298-M334 HydrophobicContact CD2-SD 3.75Å |
| 299 | T | 94.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.6 | 173.5 | -58 | 0 | 0 | 0 | 0 | 111.1 | T288 A332 E333 M334 | T288-T299 HydrophobicContact CG2-CG2 4.27Å; T299-A332 PolarHBondContact N-O 3.32Å; T299-E333 CarbonylContact O-C 3.59Å; T299-E333 WeakPolarHBondContact O-CA 3.43Å; T299-E333 WeakPolarHBondContact O-CB 3.43Å; T299-M334 PolarHBondContact O-N 2.89Å |
| 300 | M | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.9 | 168 | -58 | -169.9 | -63.7 | 0 | 0 | 110.2 | T288 C289 I291 F302 L313 V319 A321 M334 P337 | T288-M300 CarbonylContact C-O 3.47Å; T288-M300 WeakPolarHBondContact CA-O 3.42Å; C289-M300 HydrophobicContact CB-CB 4.34Å; C289-M300 HydrophobicContact CB-CE 3.93Å; C289-M300 PolarHBondContact N-O 3.27Å; C289-M300 PolarHBondContact O-N 3.31Å; I291-M300 HydrophobicContact CD1-CG 4.5Å; I291-M300 HydrophobicContact CD1-SD 4.33Å; I291-M300 HydrophobicContact CG2-CE 3.78Å; M300-F302 HydrophobicContact CB-CE2 3.81Å; M300-F302 HydrophobicContact CB-CZ 4.27Å; M300-L313 HydrophobicContact CE-CD1 4.47Å; M300-L313 HydrophobicContact CE-CD2 4.12Å; M300-V319 HydrophobicContact CE-CG1 4.27Å; M300-A321 HydrophobicContact SD-CB 3.62Å; M300-M334 CarbonylContact C-O 3.56Å; M300-M334 WeakPolarHBondContact CA-O 3.32Å; M300-P337 HydrophobicContact CB-CG 3.85Å; M300-P337 HydrophobicContact CG-CG 3.77Å; M300-P337 HydrophobicContact SD-CG 3.78Å |
| 301 | R | 92.8 | Very high | 89.7 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 18% | 0.181 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.1 | -176.1 | -175.9 | 179.3 | -66.6 | 151.1 | 4.9 | 112 | M286 M287 T288 F303 E333 M334 H336 | M286-R301 HydrophobicContact CE-CG 3.69Å; M286-R301 VanDerWaalsContact CE-NE 3.3Å; M287-R301 WeakPolarHBondContact O-CA 3.44Å; T288-R301 HydrophobicContact CG2-CG 4.38Å; R301-F303 HydrophobicContact CG-CZ 4.37Å; R301-E333 IonicContact CZ-OE1 3.83Å; R301-E333 IonicContact CZ-OE2 2.81Å; R301-E333 IonicContact NH1-OE1 2.67Å; R301-E333 PolarHBondContact NH1-OE1 3.02Å; R301-E333 IonicContact NH1-OE2 2.7Å; R301-E333 PolarHBondContact NH1-OE2 3.41Å; R301-E333 IonicContact NH2-OE1 3.2Å; R301-E333 IonicContact NH2-OE2 3.31Å; R301-E333 PolarHBondContact NH2-OE2 3.08Å; R301-M334 PolarHBondContact N-O 3.36Å; R301-H336 PolarHBondContact O-N 2.82Å |
| 302 | F | 92.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122.5 | 178.9 | -56 | -89.9 | 0 | 0 | 0 | 110.8 | M286 M287 M300 F305 M309 L313 H336 P337 Y339 | M286-F302 WeakPolarHBondContact CA-O 3.22Å; M287-F302 HydrophobicContact CB-CB 4.46Å; M287-F302 HydrophobicContact CE-CB 4.22Å; M287-F302 HydrophobicContact CE-CD2 3.39Å; M287-F302 HydrophobicContact CE-CE2 3.95Å; M287-F302 HydrophobicContact CE-CG 3.97Å; M287-F302 PolarHBondContact N-O 2.83Å; M287-F302 PolarHBondContact O-N 2.88Å; M300-F302 HydrophobicContact CB-CE2 3.81Å; M300-F302 HydrophobicContact CB-CZ 4.27Å; F302-F305 HydrophobicContact CB-CB 4.29Å; F302-M309 HydrophobicContact CB-SD 4.48Å; F302-M309 HydrophobicContact CD1-CE 4.46Å; F302-M309 HydrophobicContact CD1-SD 3.95Å; F302-M309 HydrophobicContact CE1-SD 4.31Å; F302-M309 HydrophobicContact CG-SD 4.08Å; F302-L313 HydrophobicContact CE2-CD1 4.24Å; F302-H336 AromaticContact CD1-ND1 3.73Å; F302-P337 HydrophobicContact CE1-CG 4.36Å; F302-P337 HydrophobicContact CZ-CG 3.96Å; F302-Y339 HydrophobicContact CE1-CD1 4.18Å; F302-Y339 HydrophobicContact CE1-CE1 4.24Å; F302-Y339 AromaticContact CZ-CD1 3.89Å; F302-Y339 HydrophobicContact CZ-CD1 3.89Å; F302-Y339 HydrophobicContact CZ-CE1 4.11Å |
| 303 | F | 88.3 | Confident | 89.1 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 40% | 0.395 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -84.9 | -31.7 | 172.5 | -60.4 | -72.4 | 0 | 0 | 0 | 112.2 | M286 R301 I335 H336 | M286-F303 HydrophobicContact CB-CD1 4.11Å; M286-F303 HydrophobicContact CB-CE1 4.47Å; M286-F303 HydrophobicContact SD-CE1 4.48Å; R301-F303 HydrophobicContact CG-CZ 4.37Å; F303-I335 HydrophobicContact CD2-CG2 4.24Å; F303-I335 HydrophobicContact CE2-CG2 3.72Å; F303-H336 AromaticContact CD2-CD2 3.85Å; F303-H336 AromaticContact CD2-NE2 3.62Å; F303-H336 PolarHBondContact N-CE1 2.96Å; F303-H336 VanDerWaalsContact N-CE1 3.32Å; F303-H336 PolarHBondContact N-NE2 3.19Å |
| 304 | N | 83.7 | Confident | 88.9 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -114.6 | 116.8 | 172.8 | -69 | -14.6 | 0 | 0 | 0 | 109.9 | H336 | N304-H336 PolarHBondContact N-CE1 3.46Š|
| 305 | F | 86.1 | Confident | 89 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | trans | -144.9 | 155.1 | -178.5 | 63.1 | -86.9 | 0 | 0 | 0 | 111.9 | I279 R285 M287 F302 M309 | I279-F305 HydrophobicContact CD1-CE2 3.71Å; I279-F305 HydrophobicContact CD1-CZ 3.93Å; I279-F305 HydrophobicContact CG1-CE2 4.12Å; I279-F305 HydrophobicContact CG1-CZ 3.99Å; I279-F305 HydrophobicContact CG2-CZ 3.96Å; R285-F305 HydrophobicContact CG-CE1 3.97Å; R285-F305 HydrophobicContact CG-CZ 3.84Å; R285-F305 VanDerWaalsContact NE-CZ 3.27Å; M287-F305 HydrophobicContact CB-CB 4.48Å; M287-F305 HydrophobicContact CB-CD1 3.65Å; M287-F305 HydrophobicContact CB-CD2 4.19Å; M287-F305 HydrophobicContact CB-CE1 3.76Å; M287-F305 HydrophobicContact CB-CE2 4.29Å; M287-F305 HydrophobicContact CB-CG 3.86Å; M287-F305 HydrophobicContact CB-CZ 4.06Å; M287-F305 HydrophobicContact CE-CB 4.19Å; M287-F305 HydrophobicContact SD-CB 4.32Å; M287-F305 HydrophobicContact SD-CD2 4.01Å; M287-F305 HydrophobicContact SD-CG 4.19Å; F302-F305 HydrophobicContact CB-CB 4.29Å; F305-M309 HydrophobicContact CB-CG 4.41Å; F305-M309 HydrophobicContact CB-SD 3.56Å; F305-M309 VanDerWaalsContact CB-SD 3.56Å | ||
| 306 | S | 85.2 | Confident | 88.8 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | trans | -109 | 164.6 | 176.8 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | A308 M309 K310 | S306-A308 VanDerWaalsContact C-N 3.26Å; S306-A308 PolarHBondContact O-N 2.8Å; S306-M309 WeakPolarHBondContact O-CB 3.12Å; S306-M309 PolarHBondContact O-N 2.86Å; S306-M309 PolarHBondContact OG-N 3Å; S306-M309 VanDerWaalsContact OG-N 3.14Å; S306-K310 PolarHBondContact O-N 2.91Å; S306-K310 VanDerWaalsContact O-N 3.15Å | ||
| 307 | A | 84.3 | Confident | 88.8 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | M309 K310 N311 | A307-M309 PolarHBondContact O-N 3.1Å; A307-K310 PolarHBondContact O-N 2.88Å; A307-N311 VanDerWaalsContact O-CG 3.26Å; A307-N311 PolarHBondContact O-N 2.9Å; A307-N311 PolarHBondContact O-OD1 2.83Å |
| 308 | A | 86 | Confident | 88.7 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 60% | 0.595 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S306 N311 S312 | S306-A308 VanDerWaalsContact C-N 3.26Å; S306-A308 PolarHBondContact O-N 2.8Å; A308-N311 PolarHBondContact O-N 2.84Å; A308-S312 WeakPolarHBondContact O-CB 3.35Å; A308-S312 PolarHBondContact O-N 2.93Å; A308-S312 PolarHBondContact O-OG 3.01Å |
| 309 | M | 87 | Confident | 88.5 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 174.5 | 166.5 | 175.1 | -59.5 | 0 | 0 | 111.2 | M287 F302 F305 S306 A307 N311 S312 L313 Y339 | M287-M309 HydrophobicContact CE-CG 3.75Å; M287-M309 HydrophobicContact CE-SD 3.82Å; F302-M309 HydrophobicContact CB-SD 4.48Å; F302-M309 HydrophobicContact CD1-CE 4.46Å; F302-M309 HydrophobicContact CD1-SD 3.95Å; F302-M309 HydrophobicContact CE1-SD 4.31Å; F302-M309 HydrophobicContact CG-SD 4.08Å; F305-M309 HydrophobicContact CB-CG 4.41Å; F305-M309 HydrophobicContact CB-SD 3.56Å; F305-M309 VanDerWaalsContact CB-SD 3.56Å; S306-M309 WeakPolarHBondContact O-CB 3.12Å; S306-M309 PolarHBondContact O-N 2.86Å; S306-M309 PolarHBondContact OG-N 3Å; S306-M309 VanDerWaalsContact OG-N 3.14Å; A307-M309 PolarHBondContact O-N 3.1Å; M309-N311 VanDerWaalsContact C-N 3.34Å; M309-N311 PolarHBondContact O-N 3.17Å; M309-S312 PolarHBondContact O-N 3.36Å; M309-S312 PolarHBondContact O-OG 3.07Å; M309-L313 HydrophobicContact CG-CD1 4.27Å; M309-L313 PolarHBondContact O-N 2.8Å; M309-Y339 HydrophobicContact CE-CE1 3.92Å; M309-Y339 HydrophobicContact CG-CE1 4.29Å; M309-Y339 VanDerWaalsContact CG-OH 3.28Å; M309-Y339 WeakPolarHBondContact CG-OH 3.39Å; M309-Y339 HydrophobicContact SD-CE1 4.41Å |
| 310 | K | 85.5 | Confident | 88.3 | Confident | 96 Ų | 96 | 59.5 Ų | 59.5 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 175.6 | -173.5 | -167.7 | 178.1 | -171.7 | 0 | 112 | I279 M287 S306 A307 S312 L313 | I279-K310 HydrophobicContact CD1-CD 4.23Å; M287-K310 HydrophobicContact SD-CB 4.24Å; M287-K310 HydrophobicContact SD-CG 4.49Å; S306-K310 PolarHBondContact O-N 2.91Å; S306-K310 VanDerWaalsContact O-N 3.15Å; A307-K310 PolarHBondContact O-N 2.88Å; K310-S312 VanDerWaalsContact C-N 3.34Å; K310-S312 PolarHBondContact O-N 3.2Å; K310-L313 CarbonylContact O-C 3.6Å; K310-L313 PolarHBondContact O-N 2.82Å |
| 311 | N | 86.5 | Confident | 88.2 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.7 | -33.3 | -178.3 | -66.9 | -10.7 | 0 | 0 | 0 | 112.4 | A307 A308 M309 L313 | A307-N311 VanDerWaalsContact O-CG 3.26Å; A307-N311 PolarHBondContact O-N 2.9Å; A307-N311 PolarHBondContact O-OD1 2.83Å; A308-N311 PolarHBondContact O-N 2.84Å; M309-N311 VanDerWaalsContact C-N 3.34Å; M309-N311 PolarHBondContact O-N 3.17Å; N311-L313 VanDerWaalsContact C-N 3.28Å; N311-L313 PolarHBondContact O-N 2.88Å |
| 312 | S | 86.7 | Confident | 88.1 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.5 | -30.2 | 175.6 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | A308 M309 K310 A314 Y339 V341 | A308-S312 WeakPolarHBondContact O-CB 3.35Å; A308-S312 PolarHBondContact O-N 2.93Å; A308-S312 PolarHBondContact O-OG 3.01Å; M309-S312 PolarHBondContact O-N 3.36Å; M309-S312 PolarHBondContact O-OG 3.07Å; K310-S312 VanDerWaalsContact C-N 3.34Å; K310-S312 PolarHBondContact O-N 3.2Å; S312-A314 PolarHBondContact O-N 3.44Å; S312-Y339 PolarHBondContact OG-OH 3.22Å; S312-Y339 VanDerWaalsContact OG-OH 3.1Å; S312-V341 WeakPolarHBondContact O-CG2 3.28Å |
| 313 | L | 89.1 | Confident | 88 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 44.7 | 179.6 | -64.5 | 172.1 | 0 | 0 | 0 | 111.5 | V274 M287 C289 M300 F302 M309 K310 N311 V319 Y339 | V274-L313 HydrophobicContact CG2-CD2 4.3Å; M287-L313 HydrophobicContact CE-CD1 4Å; C289-L313 HydrophobicContact CB-CD1 4.43Å; M300-L313 HydrophobicContact CE-CD1 4.47Å; M300-L313 HydrophobicContact CE-CD2 4.12Å; F302-L313 HydrophobicContact CE2-CD1 4.24Å; M309-L313 HydrophobicContact CG-CD1 4.27Å; M309-L313 PolarHBondContact O-N 2.8Å; K310-L313 CarbonylContact O-C 3.6Å; K310-L313 PolarHBondContact O-N 2.82Å; N311-L313 VanDerWaalsContact C-N 3.28Å; N311-L313 PolarHBondContact O-N 2.88Å; L313-V319 HydrophobicContact CD2-CG1 4.18Å; L313-V319 HydrophobicContact CD2-CG2 3.58Å; L313-Y339 HydrophobicContact CD1-CE1 4.32Å; L313-Y339 HydrophobicContact CD1-CE2 4.17Å; L313-Y339 HydrophobicContact CD2-CD2 3.81Å; L313-Y339 HydrophobicContact CD2-CE2 3.72Å; L313-Y339 HydrophobicContact CG-CD2 4.44Å; L313-Y339 HydrophobicContact CG-CE2 3.89Å |
| 314 | A | 87.5 | Confident | 88.3 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | trans | -69.9 | 150.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S312 R317 | S312-A314 PolarHBondContact O-N 3.44Å; A314-R317 HydrophobicContact CB-CG 4.4Å; A314-R317 WeakPolarHBondContact O-CB 3.5Å; A314-R317 WeakPolarHBondContact O-CG 3.47Å; A314-R317 PolarHBondContact O-N 3.36Å | ||
| 315 | A | 89.5 | Confident | 88.7 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 140.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V274 R317 | V274-A315 CarbonylContact O-C 3.57Å; V274-A315 WeakPolarHBondContact O-CA 3.34Å; A315-R317 VanDerWaalsContact C-N 3.35Å |
| 316 | G | 88.1 | Confident | 89 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -7.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E273 V274 | E273-G316 WeakPolarHBondContact OE1-CA 3.18Å; V274-G316 PolarHBondContact O-N 2.98Å |
| 317 | R | 89.8 | Confident | 89.3 | Confident | 103 Ų | 103 | 60 Ų | 60 | 39% | 0.389 | 33% | 0.326 | S | S | . | . | trans | -79.3 | 139.1 | 174.7 | -69.1 | -65.9 | -173.2 | -176.8 | -2.5 | 111 | V274 A314 A315 V341 D344 | V274-R317 WeakPolarHBondContact CG2-O 3.16Å; V274-R317 PolarHBondContact N-O 2.86Å; A314-R317 HydrophobicContact CB-CG 4.4Å; A314-R317 WeakPolarHBondContact O-CB 3.5Å; A314-R317 WeakPolarHBondContact O-CG 3.47Å; A314-R317 PolarHBondContact O-N 3.36Å; A315-R317 VanDerWaalsContact C-N 3.35Å; R317-V341 HydrophobicContact CB-CG1 4.14Å; R317-V341 HydrophobicContact CG-CG1 4.37Å; R317-D344 IonicContact NH1-OD1 3.8Å; R317-D344 PolarHBondContact NH1-OD1 2.96Å; R317-D344 VanDerWaalsContact NH1-OD1 3.1Å; R317-D344 IonicContact NH1-OD2 2.89Å | ||
| 318 | R | 89.9 | Confident | 89.3 | Confident | 142 Ų | 142 | 57.1 Ų | 57.1 | 54% | 0.536 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.2 | 168.8 | -74.3 | -168.9 | 172.5 | -155.7 | 4.8 | 111.5 | E271 Q342 | E271-R318 IonicContact OE1-CZ 2.8Å; E271-R318 IonicContact OE1-NH1 3.82Å; E271-R318 PolarHBondContact OE1-NH1 3.29Å; R318-Q342 HydrophobicContact CB-CB 4.34Å; R318-Q342 PolarHBondContact O-N 2.99Å |
| 319 | V | 91 | Very high | 89 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.4 | -174.6 | -179 | 0 | 0 | 0 | 0 | 109.4 | E271 G272 V274 M300 L313 Y339 R340 V341 | E271-V319 WeakPolarHBondContact CA-O 3.25Å; G272-V319 PolarHBondContact N-O 3.43Å; G272-V319 PolarHBondContact O-N 3.4Å; V274-V319 HydrophobicContact CG2-CB 4.48Å; V274-V319 HydrophobicContact CG2-CG2 3.51Å; M300-V319 HydrophobicContact CE-CG1 4.27Å; L313-V319 HydrophobicContact CD2-CG1 4.18Å; L313-V319 HydrophobicContact CD2-CG2 3.58Å; V319-Y339 HydrophobicContact CG1-CD2 4.03Å; V319-Y339 HydrophobicContact CG1-CG 4.3Å; V319-R340 WeakPolarHBondContact CA-O 3.21Å; V319-V341 HydrophobicContact CG2-CG2 4.39Å |
| 320 | L | 91.1 | Very high | 88.5 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.3 | 165 | -167.2 | 76.9 | 0 | 0 | 0 | 107.8 | L256 T269 V270 E271 Y339 R340 | L256-L320 HydrophobicContact CD1-CD1 3.47Å; L256-L320 VanDerWaalsContact CD1-CD1 3.47Å; T269-L320 HydrophobicContact CG2-CD1 3.74Å; T269-L320 HydrophobicContact CG2-CD2 4.11Å; T269-L320 HydrophobicContact CG2-CG 3.8Å; V270-L320 CarbonylContact O-C 3.57Å; V270-L320 WeakPolarHBondContact O-CA 3.21Å; E271-L320 HydrophobicContact CB-CD1 4.19Å; L320-Y339 CarbonylContact O-C 3.54Å; L320-Y339 WeakPolarHBondContact O-CA 3.4Å; L320-R340 PolarHBondContact N-O 2.95Å; L320-R340 PolarHBondContact O-N 2.79Å |
| 321 | A | 91.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T269 V270 I291 M300 P337 E338 | T269-A321 CarbonylContact C-O 3.52Å; T269-A321 WeakPolarHBondContact CA-O 3.47Å; V270-A321 HydrophobicContact CG2-CB 4.13Å; V270-A321 PolarHBondContact N-O 2.94Å; V270-A321 PolarHBondContact O-N 3.01Å; I291-A321 HydrophobicContact CD1-CB 4.4Å; M300-A321 HydrophobicContact SD-CB 3.62Å; A321-P337 HydrophobicContact CB-CB 4.39Å; A321-E338 CarbonylContact C-O 3.52Å; A321-E338 WeakPolarHBondContact CA-O 3.37Å |
| 322 | Y | 91.2 | Very high | 88.8 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.8 | 174.4 | 177.6 | -101.1 | 0 | 0 | 0 | 110.4 | E251 D252 R253 Y267 A268 T269 P337 E338 | E251-Y322 HydrophobicContact CB-CE1 4.14Å; E251-Y322 VanDerWaalsContact CB-OH 3.31Å; E251-Y322 WeakPolarHBondContact CB-OH 3.47Å; E251-Y322 HydrophobicContact CG-CE1 4.07Å; E251-Y322 WeakPolarHBondContact CG-OH 2.87Å; E251-Y322 WeakPolarHBondContact OE2-CE1 3.22Å; D252-Y322 WeakPolarHBondContact O-CE2 3.41Å; R253-Y322 HydrophobicContact CG-CD2 3.86Å; R253-Y322 HydrophobicContact CG-CE2 3.9Å; R253-Y322 HydrophobicContact CG-CG 4.19Å; Y267-Y322 HydrophobicContact CD1-CE1 4.07Å; Y267-Y322 AromaticContact CD1-CZ 4Å; A268-Y322 WeakPolarHBondContact O-CA 3.46Å; A268-Y322 WeakPolarHBondContact O-CD2 3.37Å; T269-Y322 WeakPolarHBondContact OG1-CD2 3.27Å; Y322-P337 CarbonylContact O-C 3.55Å; Y322-P337 VanDerWaalsContact O-CA 3.28Å; Y322-P337 WeakPolarHBondContact O-CA 3.29Å; Y322-P337 WeakPolarHBondContact O-CB 3.45Å; Y322-E338 PolarHBondContact N-O 3.13Å; Y322-E338 PolarHBondContact O-N 2.68Å |
| 323 | G | 91 | Very high | 89.1 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y267 A268 A325 M334 | Y267-G323 WeakPolarHBondContact CA-O 3.32Å; A268-G323 PolarHBondContact N-O 3.24Å; A268-G323 VanDerWaalsContact N-O 3.1Å; A268-G323 PolarHBondContact O-N 3.19Å; G323-A325 PolarHBondContact O-N 3.28Å; G323-M334 WeakPolarHBondContact O-CE 3.46Å |
| 324 | E | 93.6 | Very high | 89.4 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119 | 174.5 | -167.9 | -167.1 | 160.6 | 0 | 0 | 109.9 | Y267 K326 | Y267-E324 HydrophobicContact CD1-CB 4.25Å; Y267-E324 HydrophobicContact CD2-CB 4.19Å; Y267-E324 HydrophobicContact CD2-CG 4.22Å; Y267-E324 HydrophobicContact CE1-CB 3.93Å; Y267-E324 HydrophobicContact CE2-CB 3.85Å; Y267-E324 HydrophobicContact CE2-CG 3.86Å; Y267-E324 HydrophobicContact CG-CB 4.38Å; E324-K326 HydrophobicContact CG-CG 4.48Å; E324-K326 PolarHBondContact O-N 2.93Å; E324-K326 WeakPolarHBondContact OE1-CE 3.28Å; E324-K326 IonicContact OE1-NZ 3.56Å; E324-K326 WeakPolarHBondContact OE2-CE 3.5Å; E324-K326 IonicContact OE2-NZ 3.78Å; E324-K326 PolarHBondContact OE2-NZ 3.32Å |
| 325 | A | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 122 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L262 P264 G265 V266 G323 | L262-A325 HydrophobicContact CB-CB 4.26Å; L262-A325 HydrophobicContact CD1-CB 4.49Å; L262-A325 HydrophobicContact CD2-CB 4.46Å; P264-A325 CarbonylContact C-O 3.56Å; P264-A325 WeakPolarHBondContact CA-O 3.19Å; G265-A325 PolarHBondContact N-O 3.44Å; V266-A325 PolarHBondContact O-N 2.95Å; G323-A325 PolarHBondContact O-N 3.28Å |
| 326 | K | 92.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 157.9 | 176.6 | -67.4 | -174.6 | 179.3 | 178.2 | 0 | 110.5 | E324 G328 A332 E333 I335 | E324-K326 HydrophobicContact CG-CG 4.48Å; E324-K326 PolarHBondContact O-N 2.93Å; E324-K326 WeakPolarHBondContact OE1-CE 3.28Å; E324-K326 IonicContact OE1-NZ 3.56Å; E324-K326 WeakPolarHBondContact OE2-CE 3.5Å; E324-K326 IonicContact OE2-NZ 3.78Å; E324-K326 PolarHBondContact OE2-NZ 3.32Å; K326-G328 PolarHBondContact O-N 2.88Å; K326-A332 CarbonylContact O-C 3.47Å; K326-A332 WeakPolarHBondContact O-CA 2.99Å; K326-E333 HydrophobicContact CB-CG 3.85Å; K326-E333 PolarHBondContact N-O 3.35Å; K326-E333 PolarHBondContact O-N 3.46Å; K326-I335 HydrophobicContact CD-CD1 4.1Å |
| 327 | R | 90.6 | Very high | 89.7 | Confident | 223 Ų | 223 | 59.9 Ų | 59.9 | 84% | 0.842 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 105.5 | 172.3 | -166.8 | 174 | -176.6 | 174.5 | 1.4 | 109.4 | ||
| 328 | G | 84.8 | Confident | 89.5 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K326 Y330 G331 E333 | K326-G328 PolarHBondContact O-N 2.88Å; G328-Y330 VanDerWaalsContact C-N 3.27Å; G328-Y330 PolarHBondContact O-N 3.25Å; G328-G331 CarbonylContact C-O 3.59Å; G328-G331 VanDerWaalsContact CA-O 3.24Å; G328-G331 WeakPolarHBondContact CA-O 3.37Å; G328-G331 PolarHBondContact N-O 3.36Å; G328-E333 VanDerWaalsContact CA-CD 3.47Å; G328-E333 WeakPolarHBondContact CA-OE2 3.25Å |
| 329 | K | 79.5 | Confident | 89.5 | Confident | 170 Ų | 170 | 55.9 Ų | 55.9 | 74% | 0.739 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.2 | 178.1 | -174.4 | 178.5 | 177.9 | -170.3 | 0 | 113.2 | ||
| 330 | Y | 76.2 | Confident | 89.3 | Confident | 183 Ų | 183 | 63.1 Ų | 63.1 | 72% | 0.718 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 12.7 | -172.5 | -59.2 | -72.3 | 0 | 0 | 0 | 113.6 | G328 | G328-Y330 VanDerWaalsContact C-N 3.27Å; G328-Y330 PolarHBondContact O-N 3.25Å |
| 331 | G | 86.2 | Confident | 89 | Confident | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.1 | -157.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G328 | G328-G331 CarbonylContact C-O 3.59Å; G328-G331 VanDerWaalsContact CA-O 3.24Å; G328-G331 WeakPolarHBondContact CA-O 3.37Å; G328-G331 PolarHBondContact N-O 3.36Å |
| 332 | A | 92.1 | Very high | 88.2 | Confident | 27 Ų | 27 | 65 Ų | 65 | 22% | 0.223 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 140.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L262 L298 T299 K326 | L262-A332 HydrophobicContact CD1-CB 4.37Å; L298-A332 HydrophobicContact CD1-CB 3.57Å; T299-A332 PolarHBondContact N-O 3.32Å; K326-A332 CarbonylContact O-C 3.47Å; K326-A332 WeakPolarHBondContact O-CA 2.99Å |
| 333 | E | 93.8 | Very high | 86.9 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.9 | 173.3 | 74.3 | 177.5 | -138.3 | 0 | 0 | 111.5 | T299 R301 K326 G328 | T299-E333 CarbonylContact O-C 3.59Å; T299-E333 WeakPolarHBondContact O-CA 3.43Å; T299-E333 WeakPolarHBondContact O-CB 3.43Å; R301-E333 IonicContact CZ-OE1 3.83Å; R301-E333 IonicContact CZ-OE2 2.81Å; R301-E333 IonicContact NH1-OE1 2.67Å; R301-E333 PolarHBondContact NH1-OE1 3.02Å; R301-E333 IonicContact NH1-OE2 2.7Å; R301-E333 PolarHBondContact NH1-OE2 3.41Å; R301-E333 IonicContact NH2-OE1 3.2Å; R301-E333 IonicContact NH2-OE2 3.31Å; R301-E333 PolarHBondContact NH2-OE2 3.08Å; K326-E333 HydrophobicContact CB-CG 3.85Å; K326-E333 PolarHBondContact N-O 3.35Å; K326-E333 PolarHBondContact O-N 3.46Å; G328-E333 VanDerWaalsContact CA-CD 3.47Å; G328-E333 WeakPolarHBondContact CA-OE2 3.25Å |
| 334 | M | 94.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.2 | 167 | -74.1 | -177.3 | -175.1 | 0 | 0 | 108.7 | L262 A268 V270 L298 T299 M300 R301 G323 P337 | L262-M334 HydrophobicContact CD1-CE 4.4Å; A268-M334 HydrophobicContact CB-CE 4.49Å; V270-M334 HydrophobicContact CG1-CE 4.4Å; V270-M334 HydrophobicContact CG2-CE 4.35Å; L298-M334 HydrophobicContact CD1-CG 4.16Å; L298-M334 HydrophobicContact CD2-CE 3.88Å; L298-M334 HydrophobicContact CD2-CG 4Å; L298-M334 HydrophobicContact CD2-SD 3.75Å; T299-M334 PolarHBondContact O-N 2.89Å; M300-M334 CarbonylContact C-O 3.56Å; M300-M334 WeakPolarHBondContact CA-O 3.32Å; R301-M334 PolarHBondContact N-O 3.36Å; G323-M334 WeakPolarHBondContact O-CE 3.46Å; M334-P337 HydrophobicContact CB-CB 3.99Å; M334-P337 HydrophobicContact CB-CG 3.99Å; M334-P337 HydrophobicContact SD-CB 4.17Å |
| 335 | I | 91.4 | Very high | 82.8 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 32% | 0.323 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.8 | 177.9 | -59.3 | 176.7 | 0 | 0 | 0 | 108.5 | F303 K326 | F303-I335 HydrophobicContact CD2-CG2 4.24Å; F303-I335 HydrophobicContact CE2-CG2 3.72Å; K326-I335 HydrophobicContact CD-CD1 4.1Å |
| 336 | H | 89.4 | Confident | 80.9 | Confident | 81 Ų | 81 | 81 Ų | 81 | 38% | 0.375 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 48.7 | 51.1 | -176.6 | -76.9 | -75.7 | 0 | 0 | 0 | 114.3 | R301 F302 F303 N304 | R301-H336 PolarHBondContact O-N 2.82Å; F302-H336 AromaticContact CD1-ND1 3.73Å; F303-H336 AromaticContact CD2-CD2 3.85Å; F303-H336 AromaticContact CD2-NE2 3.62Å; F303-H336 PolarHBondContact N-CE1 2.96Å; F303-H336 VanDerWaalsContact N-CE1 3.32Å; F303-H336 PolarHBondContact N-NE2 3.19Å; N304-H336 PolarHBondContact N-CE1 3.46Å |
| 337 | P | 90.5 | Very high | 79.1 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.039 | 42% | 0.421 | C | S | . | . | trans | -64.8 | 147 | 175.1 | 28.6 | -33.1 | 0 | 0 | 0 | 110.7 | M300 F302 A321 Y322 M334 | M300-P337 HydrophobicContact CB-CG 3.85Å; M300-P337 HydrophobicContact CG-CG 3.77Å; M300-P337 HydrophobicContact SD-CG 3.78Å; F302-P337 HydrophobicContact CE1-CG 4.36Å; F302-P337 HydrophobicContact CZ-CG 3.96Å; A321-P337 HydrophobicContact CB-CB 4.39Å; Y322-P337 CarbonylContact O-C 3.55Å; Y322-P337 VanDerWaalsContact O-CA 3.28Å; Y322-P337 WeakPolarHBondContact O-CA 3.29Å; Y322-P337 WeakPolarHBondContact O-CB 3.45Å; M334-P337 HydrophobicContact CB-CB 3.99Å; M334-P337 HydrophobicContact CB-CG 3.99Å; M334-P337 HydrophobicContact SD-CB 4.17Å | ||
| 338 | E | 87.2 | Confident | 77.7 | Confident | 97 Ų | 97 | 74.7 Ų | 74.7 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 132.6 | 163.6 | -71.4 | -169.6 | -175.8 | 0 | 0 | 108.4 | R253 A321 Y322 | R253-E338 IonicContact CZ-OE2 2.9Å; R253-E338 IonicContact NH1-OE2 3.07Å; R253-E338 PolarHBondContact NH1-OE2 2.71Å; R253-E338 VanDerWaalsContact NH2-CD 3.29Å; R253-E338 IonicContact NH2-OE1 3.67Å; R253-E338 IonicContact NH2-OE2 2.68Å; R253-E338 PolarHBondContact NH2-OE2 3.39Å; A321-E338 CarbonylContact C-O 3.52Å; A321-E338 WeakPolarHBondContact CA-O 3.37Å; Y322-E338 PolarHBondContact N-O 3.13Å; Y322-E338 PolarHBondContact O-N 2.68Å |
| 339 | Y | 88.7 | Confident | 76.7 | Confident | 64 Ų | 64 | 81.2 Ų | 81.2 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 153.6 | -177.3 | 76.8 | -88.1 | 0 | 0 | 0 | 112.8 | F302 M309 S312 L313 V319 L320 V341 | F302-Y339 HydrophobicContact CE1-CD1 4.18Å; F302-Y339 HydrophobicContact CE1-CE1 4.24Å; F302-Y339 AromaticContact CZ-CD1 3.89Å; F302-Y339 HydrophobicContact CZ-CD1 3.89Å; F302-Y339 HydrophobicContact CZ-CE1 4.11Å; M309-Y339 HydrophobicContact CE-CE1 3.92Å; M309-Y339 HydrophobicContact CG-CE1 4.29Å; M309-Y339 VanDerWaalsContact CG-OH 3.28Å; M309-Y339 WeakPolarHBondContact CG-OH 3.39Å; M309-Y339 HydrophobicContact SD-CE1 4.41Å; S312-Y339 PolarHBondContact OG-OH 3.22Å; S312-Y339 VanDerWaalsContact OG-OH 3.1Å; L313-Y339 HydrophobicContact CD1-CE1 4.32Å; L313-Y339 HydrophobicContact CD1-CE2 4.17Å; L313-Y339 HydrophobicContact CD2-CD2 3.81Å; L313-Y339 HydrophobicContact CD2-CE2 3.72Å; L313-Y339 HydrophobicContact CG-CD2 4.44Å; L313-Y339 HydrophobicContact CG-CE2 3.89Å; V319-Y339 HydrophobicContact CG1-CD2 4.03Å; V319-Y339 HydrophobicContact CG1-CG 4.3Å; L320-Y339 CarbonylContact O-C 3.54Å; L320-Y339 WeakPolarHBondContact O-CA 3.4Å; Y339-V341 HydrophobicContact CD2-CG2 4.29Å; Y339-V341 HydrophobicContact CE2-CG2 4.08Å |
| 340 | R | 86.4 | Confident | 76.2 | Confident | 152 Ų | 152 | 76 Ų | 76 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131 | 171.6 | -171.9 | -177.9 | -75.7 | 176 | -2.9 | 109.1 | V319 L320 | V319-R340 WeakPolarHBondContact CA-O 3.21Å; L320-R340 PolarHBondContact N-O 2.95Å; L320-R340 PolarHBondContact O-N 2.79Å |
| 341 | V | 84.6 | Confident | 76.1 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.2 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | S312 R317 V319 Y339 | S312-V341 WeakPolarHBondContact O-CG2 3.28Å; R317-V341 HydrophobicContact CB-CG1 4.14Å; R317-V341 HydrophobicContact CG-CG1 4.37Å; V319-V341 HydrophobicContact CG2-CG2 4.39Å; Y339-V341 HydrophobicContact CD2-CG2 4.29Å; Y339-V341 HydrophobicContact CE2-CG2 4.08Å |
| 342 | Q | 75.5 | Confident | 75.7 | Confident | 20 Ų | 20 | 78 Ų | 78 | 9% | 0.093 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 150.3 | 177.6 | -69.9 | -178.7 | 1.7 | 0 | 0 | 111 | E271 R318 | E271-Q342 PolarHBondContact OE1-OE1 3.29Å; R318-Q342 HydrophobicContact CB-CB 4.34Å; R318-Q342 PolarHBondContact O-N 2.99Å |
| 343 | G | 64.9 | Low | 75.3 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 46% | 0.464 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 158.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L345 S346 | G343-L345 PolarHBondContact O-N 3.43Å; G343-S346 PolarHBondContact N-OG 2.99Å; G343-S346 PolarHBondContact O-N 2.89Å; G343-S346 PolarHBondContact O-OG 3.24Å |
| 344 | D | 51.3 | Low | 75 | Confident | 142 Ų | 142 | 77.6 Ų | 77.6 | 76% | 0.759 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -2.2 | -168.5 | -59.3 | -24.1 | 0 | 0 | 0 | 115.5 | R317 | R317-D344 IonicContact NH1-OD1 3.8Å; R317-D344 PolarHBondContact NH1-OD1 2.96Å; R317-D344 VanDerWaalsContact NH1-OD1 3.1Å; R317-D344 IonicContact NH1-OD2 2.89Å |
| 345 | L | 46.2 | Very low | 74.7 | Confident | 178 Ų | 178 | 77.7 Ų | 77.7 | 93% | 0.932 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.7 | 15.3 | -177.4 | -77.1 | 164.6 | 0 | 0 | 0 | 114.8 | G343 | G343-L345 PolarHBondContact O-N 3.43Š|
| 346 | S | 51.9 | Low | 74.7 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | trans | -95.6 | 123.3 | -178.1 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | G343 | G343-S346 PolarHBondContact N-OG 2.99Å; G343-S346 PolarHBondContact O-N 2.89Å; G343-S346 PolarHBondContact O-OG 3.24Å | ||
| 347 | T | 55.7 | Low | 74.8 | Confident | 122 Ų | 122 | 71.4 Ų | 71.4 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | trans | -54.1 | 139.9 | 156.8 | 33.8 | 0 | 0 | 0 | 0 | 109.7 | E349 | T347-E349 PolarHBondContact O-N 3.43Š| ||
| 348 | P | 60.3 | Low | 74.8 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | trans | -56.8 | 112.3 | 174.1 | 19.6 | -29.7 | 0 | 0 | 0 | 110 | L350 | P348-L350 VanDerWaalsContact C-N 3.29Å; P348-L350 PolarHBondContact O-N 3.41Å | ||
| 349 | E | 64.1 | Low | 74.8 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 71% | 0.71 | 36% | 0.364 | S | S | * | . | trans | -73.8 | 88 | 167.3 | -72.7 | 178.3 | 179.7 | 0 | 0 | 108.2 | T347 | T347-E349 PolarHBondContact O-N 3.43Š| ||
| 350 | L | 69.7 | Low | 74.8 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 31% | 0.314 | 38% | 0.375 | S | S | . | . | trans | -66 | 156.3 | 168.5 | -66.9 | 171.9 | 0 | 0 | 0 | 109.7 | L256 P348 | L256-L350 HydrophobicContact CB-CD1 4.42Å; L256-L350 HydrophobicContact CB-CD2 4.48Å; L256-L350 HydrophobicContact CD1-CD2 4.28Å; P348-L350 VanDerWaalsContact C-N 3.29Å; P348-L350 PolarHBondContact O-N 3.41Å | ||
| 351 | Q | 74.4 | Confident | 74.6 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | trans | -72.7 | 135 | 175 | -63.1 | -67 | -64.7 | 0 | 0 | 109.2 | R253 T254 T353 | R253-Q351 HydrophobicContact CB-CB 4.42Å; R253-Q351 HydrophobicContact CB-CG 4.12Å; R253-Q351 PolarHBondContact O-N 3.36Å; T254-Q351 WeakPolarHBondContact CA-O 3.3Å; T254-Q351 WeakPolarHBondContact CB-O 3.39Å; T254-Q351 WeakPolarHBondContact CG2-O 3.5Å; Q351-T353 VanDerWaalsContact C-N 3.27Å; Q351-T353 WeakPolarHBondContact CB-O 3.47Å | ||
| 352 | E | 77.2 | Confident | 74.3 | Confident | 176 Ų | 176 | 70.7 Ų | 70.7 | 82% | 0.822 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -75.5 | -19.6 | 176.7 | -63.6 | -176.7 | 171.4 | 0 | 0 | 112.4 | P412 | E352-P412 VanDerWaalsContact O-CD 3.27Å; E352-P412 WeakPolarHBondContact O-CD 3.26Å; E352-P412 WeakPolarHBondContact O-CG 3.39Å |
| 353 | T | 84.5 | Confident | 74.4 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 20% | 0.202 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -130 | 159.3 | -178.6 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | Q351 T355 R409 P410 | Q351-T353 VanDerWaalsContact C-N 3.27Å; Q351-T353 WeakPolarHBondContact CB-O 3.47Å; T353-T355 PolarHBondContact O-N 2.98Å; T353-R409 HydrophobicContact CG2-CB 4.06Å; T353-P410 WeakPolarHBondContact CA-O 3.47Å; T353-P410 VanDerWaalsContact CB-O 3.3Å; T353-P410 WeakPolarHBondContact CB-O 3.36Å |
| 354 | L | 86.3 | Confident | 75.4 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 137.8 | 174.1 | -49.3 | 160 | 0 | 0 | 0 | 108.9 | D252 T254 P356 P410 L416 | D252-L354 HydrophobicContact CB-CD2 3.86Å; T254-L354 HydrophobicContact CG2-CD2 4.19Å; L354-P356 WeakPolarHBondContact O-CD 3.2Å; L354-P410 HydrophobicContact CB-CG 4Å; L354-P410 HydrophobicContact CD1-CB 4.34Å; L354-P410 HydrophobicContact CD1-CG 4.28Å; L354-P410 PolarHBondContact N-O 3.44Å; L354-L416 HydrophobicContact CD1-CD2 3.74Å; L354-L416 HydrophobicContact CD1-CG 4.2Å |
| 355 | T | 88.9 | Confident | 77.2 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.9 | -170.2 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | Y250 E251 T353 | Y250-T355 WeakPolarHBondContact CA-O 3.42Å; E251-T355 PolarHBondContact N-O 3.38Å; E251-T355 WeakPolarHBondContact O-CB 3.16Å; E251-T355 PolarHBondContact O-N 3.11Å; T353-T355 PolarHBondContact O-N 2.98Å |
| 356 | P | 91.8 | Very high | 79.3 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 144.4 | -179.6 | 29.8 | -37.3 | 0 | 0 | 0 | 112.2 | P247 Y250 L354 Y358 R370 H408 | P247-P356 HydrophobicContact CB-CB 3.74Å; P247-P356 HydrophobicContact CG-CB 3.4Å; Y250-P356 HydrophobicContact CD1-CB 4.37Å; Y250-P356 HydrophobicContact CE1-CB 4.36Å; L354-P356 WeakPolarHBondContact O-CD 3.2Å; P356-Y358 HydrophobicContact CB-CE1 4.44Å; P356-Y358 HydrophobicContact CB-CE2 3.77Å; P356-Y358 HydrophobicContact CG-CE2 3.66Å; P356-Y358 WeakPolarHBondContact CG-OH 3.48Å; P356-R370 HydrophobicContact CG-CG 4.3Å; P356-R370 PolarHBondContact O-NE 3.44Å; P356-R370 PolarHBondContact O-NH2 3.09Å; P356-H408 WeakPolarHBondContact CG-O 3.5Å |
| 357 | V | 90.5 | Very high | 81 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 112.5 | 171.3 | -177 | 0 | 0 | 0 | 0 | 109.3 | P247 L248 R249 E251 | P247-V357 CarbonylContact C-O 3.59Å; P247-V357 WeakPolarHBondContact CA-O 3.43Å; L248-V357 PolarHBondContact N-O 3.42Å; R249-V357 HydrophobicContact CG-CB 3.78Å; R249-V357 HydrophobicContact CG-CG1 4.31Å; R249-V357 HydrophobicContact CG-CG2 4.05Å; R249-V357 PolarHBondContact O-N 3.38Å; E251-V357 VanDerWaalsContact CD-CG2 3.47Å; E251-V357 HydrophobicContact CG-CG2 3.71Å; E251-V357 WeakPolarHBondContact OE1-CG2 3.08Å |
| 358 | Y | 91.5 | Very high | 82.6 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | trans | -91.4 | 156.7 | -174.7 | -62.9 | -79.7 | 0 | 0 | 0 | 113 | H245 P247 P356 Q366 L369 R370 T373 H408 R409 | H245-Y358 AromaticContact CD2-CD1 3.91Å; H245-Y358 WeakPolarHBondContact O-CD1 3.42Å; H245-Y358 WeakPolarHBondContact O-CE1 3.45Å; P247-Y358 HydrophobicContact CB-CD1 4.47Å; P247-Y358 HydrophobicContact CB-CE1 4.36Å; P247-Y358 HydrophobicContact CG-CD1 4.19Å; P247-Y358 HydrophobicContact CG-CE1 3.62Å; P356-Y358 HydrophobicContact CB-CE1 4.44Å; P356-Y358 HydrophobicContact CB-CE2 3.77Å; P356-Y358 HydrophobicContact CG-CE2 3.66Å; P356-Y358 WeakPolarHBondContact CG-OH 3.48Å; Y358-Q366 PolarHBondContact O-NE2 3.28Å; Y358-L369 HydrophobicContact CD2-CB 3.88Å; Y358-L369 HydrophobicContact CG-CB 4.28Å; Y358-L369 HydrophobicContact CG-CD1 4.4Å; Y358-R370 HydrophobicContact CD2-CG 4.38Å; Y358-R370 HydrophobicContact CE2-CG 3.88Å; Y358-T373 HydrophobicContact CE1-CG2 4.15Å; Y358-T373 PolarHBondContact OH-OG1 3.39Å; Y358-H408 AromaticContact CE1-CE1 3.73Å; Y358-H408 AromaticContact CE1-ND1 3.48Å; Y358-H408 WeakPolarHBondContact CE1-ND1 3.4Å; Y358-H408 AromaticContact CZ-ND1 3.6Å; Y358-H408 PolarHBondContact OH-ND1 3.06Å; Y358-R409 PolarHBondContact OH-NH1 3.25Å | ||
| 359 | P | 87.3 | Confident | 84 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | trans | -58.1 | 141.2 | 160.2 | -10.4 | 21.6 | 0 | 0 | 0 | 110.1 | H245 L246 L248 L369 | H245-P359 PolarHBondContact NE2-O 2.8Å; L246-P359 WeakPolarHBondContact O-CD 3.19Å; L248-P359 HydrophobicContact CD1-CB 4.2Å; L248-P359 HydrophobicContact CD1-CG 4.08Å; L248-P359 HydrophobicContact CD2-CG 3.97Å; L248-P359 HydrophobicContact CG-CB 4.41Å; L248-P359 HydrophobicContact CG-CG 3.75Å; P359-L369 WeakPolarHBondContact O-CD1 3.29Å | ||
| 360 | T | 86.8 | Confident | 85.4 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | trans | -141.5 | 152.7 | -170.8 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | V364 | T360-V364 PolarHBondContact OG1-O 2.85Š| ||
| 361 | T | 82.5 | Confident | 86.3 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | trans | -119.4 | 169.5 | 173.3 | -168.8 | 0 | 0 | 0 | 0 | 110.8 | I234 G363 V364 | I234-T361 HydrophobicContact CD1-CG2 4.47Å; I234-T361 HydrophobicContact CG1-CG2 4.45Å; I234-T361 VanDerWaalsContact CG2-CB 3.5Å; I234-T361 HydrophobicContact CG2-CG2 3.59Å; T361-G363 PolarHBondContact O-N 3.36Å; T361-G363 VanDerWaalsContact O-N 3.17Å; T361-V364 HydrophobicContact CG2-CB 4.32Å; T361-V364 HydrophobicContact CG2-CG2 3.84Å; T361-V364 PolarHBondContact O-N 3.34Å; T361-V364 VanDerWaalsContact O-N 3.11Å | ||
| 362 | E | 78.3 | Confident | 87.1 | Confident | 183 Ų | 183 | 51.8 Ų | 51.8 | 86% | 0.855 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 122.8 | 178.7 | -167 | -174.1 | 167 | 0 | 0 | 111.3 | ||
| 363 | G | 79 | Confident | 87.8 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -0.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T361 | T361-G363 PolarHBondContact O-N 3.36Å; T361-G363 VanDerWaalsContact O-N 3.17Å |
| 364 | V | 85.5 | Confident | 88.1 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | trans | -105.4 | 132.1 | 165.3 | -178 | 0 | 0 | 0 | 0 | 107.7 | L227 K230 L231 T360 T361 L369 | L227-V364 HydrophobicContact CD1-CG2 4.38Å; K230-V364 HydrophobicContact CB-CG2 3.86Å; L231-V364 HydrophobicContact CD2-CG1 4.47Å; T360-V364 PolarHBondContact OG1-O 2.85Å; T361-V364 HydrophobicContact CG2-CB 4.32Å; T361-V364 HydrophobicContact CG2-CG2 3.84Å; T361-V364 PolarHBondContact O-N 3.34Å; T361-V364 VanDerWaalsContact O-N 3.11Å; V364-L369 HydrophobicContact CG1-CD1 3.87Å; V364-L369 HydrophobicContact CG1-CD2 3.79Å; V364-L369 HydrophobicContact CG1-CG 3.6Å | ||
| 365 | K | 88.5 | Confident | 88.1 | Confident | 155 Ų | 155 | 46.1 Ų | 46.1 | 67% | 0.674 | 25% | 0.252 | S | S | * | . | trans | -111.8 | 155 | -179.1 | -62.6 | -172.9 | 179.7 | -178 | 0 | 110.5 | A367 T368 L369 | K365-A367 VanDerWaalsContact C-N 3.29Å; K365-A367 PolarHBondContact O-N 2.79Å; K365-T368 WeakPolarHBondContact O-CA 3.39Å; K365-T368 WeakPolarHBondContact O-CB 3.26Å; K365-T368 PolarHBondContact O-N 3.19Å; K365-L369 PolarHBondContact O-N 3.15Å; K365-L369 VanDerWaalsContact O-N 3.08Å | ||
| 366 | Q | 90.2 | Very high | 88.1 | Confident | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.2 | -44.8 | 175.5 | -68.4 | -61.1 | -27.5 | 0 | 0 | 112.8 | Y358 T368 L369 R370 | Y358-Q366 PolarHBondContact O-NE2 3.28Å; Q366-T368 VanDerWaalsContact C-N 3.26Å; Q366-T368 PolarHBondContact O-N 2.87Å; Q366-L369 PolarHBondContact O-N 2.96Å; Q366-R370 WeakPolarHBondContact O-CB 3.41Å; Q366-R370 VanDerWaalsContact O-CG 3.32Å; Q366-R370 WeakPolarHBondContact O-CG 3.38Å; Q366-R370 PolarHBondContact O-N 3.36Å |
| 367 | A | 87.4 | Confident | 87.9 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61 | -34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | K365 K371 | K365-A367 VanDerWaalsContact C-N 3.29Å; K365-A367 PolarHBondContact O-N 2.79Å; A367-K371 WeakPolarHBondContact O-CB 3.37Å; A367-K371 PolarHBondContact O-N 3.35Å |
| 368 | T | 89.3 | Confident | 87.6 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -50 | 175.1 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | L227 K365 Q366 R370 K371 L372 | L227-T368 HydrophobicContact CD1-CG2 4.17Å; L227-T368 HydrophobicContact CD2-CG2 3.63Å; K365-T368 WeakPolarHBondContact O-CA 3.39Å; K365-T368 WeakPolarHBondContact O-CB 3.26Å; K365-T368 PolarHBondContact O-N 3.19Å; Q366-T368 VanDerWaalsContact C-N 3.26Å; Q366-T368 PolarHBondContact O-N 2.87Å; T368-R370 PolarHBondContact O-N 3.43Å; T368-K371 PolarHBondContact O-N 2.85Å; T368-L372 HydrophobicContact CG2-CD1 4.16Å; T368-L372 HydrophobicContact CG2-CG 4.47Å; T368-L372 VanDerWaalsContact O-CG 3.31Å; T368-L372 WeakPolarHBondContact O-CG 3.25Å; T368-L372 PolarHBondContact O-N 3.04Å |
| 369 | L | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 179.5 | -70.7 | 171 | 0 | 0 | 0 | 112.3 | L231 L236 Y358 P359 V364 K365 Q366 K371 L372 T373 | L231-L369 HydrophobicContact CD2-CD2 4.17Å; L236-L369 HydrophobicContact CD1-CD2 4.33Å; Y358-L369 HydrophobicContact CD2-CB 3.88Å; Y358-L369 HydrophobicContact CG-CB 4.28Å; Y358-L369 HydrophobicContact CG-CD1 4.4Å; P359-L369 WeakPolarHBondContact O-CD1 3.29Å; V364-L369 HydrophobicContact CG1-CD1 3.87Å; V364-L369 HydrophobicContact CG1-CD2 3.79Å; V364-L369 HydrophobicContact CG1-CG 3.6Å; K365-L369 PolarHBondContact O-N 3.15Å; K365-L369 VanDerWaalsContact O-N 3.08Å; Q366-L369 PolarHBondContact O-N 2.96Å; L369-K371 PolarHBondContact O-N 3.49Å; L369-L372 PolarHBondContact O-N 3.25Å; L369-T373 WeakPolarHBondContact O-CG2 3.45Å; L369-T373 PolarHBondContact O-N 3.4Å; L369-T373 PolarHBondContact O-OG1 3.31Å; L369-T373 VanDerWaalsContact O-OG1 3.12Å |
| 370 | R | 92.1 | Very high | 86.8 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 174.5 | -71 | 172.3 | -167.8 | 151.7 | 2.5 | 111.6 | P356 Y358 Q366 T368 L372 T373 D374 R409 | P356-R370 HydrophobicContact CG-CG 4.3Å; P356-R370 PolarHBondContact O-NE 3.44Å; P356-R370 PolarHBondContact O-NH2 3.09Å; Y358-R370 HydrophobicContact CD2-CG 4.38Å; Y358-R370 HydrophobicContact CE2-CG 3.88Å; Q366-R370 WeakPolarHBondContact O-CB 3.41Å; Q366-R370 VanDerWaalsContact O-CG 3.32Å; Q366-R370 WeakPolarHBondContact O-CG 3.38Å; Q366-R370 PolarHBondContact O-N 3.36Å; T368-R370 PolarHBondContact O-N 3.43Å; R370-L372 VanDerWaalsContact C-N 3.29Å; R370-L372 PolarHBondContact O-N 3.03Å; R370-T373 PolarHBondContact O-N 3.1Å; R370-T373 PolarHBondContact O-OG1 3.25Å; R370-D374 VanDerWaalsContact O-CG 3.31Å; R370-D374 PolarHBondContact O-N 3.24Å; R370-R409 PolarHBondContact O-NH2 2.86Å; R370-R409 VanDerWaalsContact O-NH2 3.09Å |
| 371 | K | 89.8 | Confident | 86.2 | Confident | 114 Ų | 114 | 51.2 Ų | 51.2 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 177.7 | -175 | -177.4 | 176.2 | -173.7 | 0 | 113.1 | A367 T368 L369 Q375 | A367-K371 WeakPolarHBondContact O-CB 3.37Å; A367-K371 PolarHBondContact O-N 3.35Å; T368-K371 PolarHBondContact O-N 2.85Å; L369-K371 PolarHBondContact O-N 3.49Å; K371-Q375 WeakPolarHBondContact O-CG 3.38Å; K371-Q375 PolarHBondContact O-N 3.44Å; K371-Q375 PolarHBondContact O-NE2 3.2Å; K371-Q375 VanDerWaalsContact O-NE2 3.08Å |
| 372 | L | 91.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.3 | -40.2 | 177.2 | -66 | 179.5 | 0 | 0 | 0 | 111.4 | L220 V223 L227 L231 L242 T368 L369 R370 Q375 A376 | L220-L372 HydrophobicContact CB-CD2 3.92Å; L220-L372 HydrophobicContact CD1-CB 4.24Å; L220-L372 HydrophobicContact CD1-CD2 4.09Å; V223-L372 HydrophobicContact CG2-CD1 4.05Å; V223-L372 HydrophobicContact CG2-CD2 3.31Å; V223-L372 HydrophobicContact CG2-CG 4.33Å; L227-L372 HydrophobicContact CD2-CD1 4.42Å; L231-L372 HydrophobicContact CD1-CD1 3.86Å; L231-L372 HydrophobicContact CD2-CD1 4.29Å; L242-L372 HydrophobicContact CD1-CB 4.39Å; L242-L372 HydrophobicContact CD2-CB 4.26Å; T368-L372 HydrophobicContact CG2-CD1 4.16Å; T368-L372 HydrophobicContact CG2-CG 4.47Å; T368-L372 VanDerWaalsContact O-CG 3.31Å; T368-L372 WeakPolarHBondContact O-CG 3.25Å; T368-L372 PolarHBondContact O-N 3.04Å; L369-L372 PolarHBondContact O-N 3.25Å; R370-L372 VanDerWaalsContact C-N 3.29Å; R370-L372 PolarHBondContact O-N 3.03Å; L372-Q375 PolarHBondContact O-N 3.17Å; L372-A376 PolarHBondContact O-N 2.98Å |
| 373 | T | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -34.6 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | Y358 L369 R370 Q375 A376 L377 R409 | Y358-T373 HydrophobicContact CE1-CG2 4.15Å; Y358-T373 PolarHBondContact OH-OG1 3.39Å; L369-T373 WeakPolarHBondContact O-CG2 3.45Å; L369-T373 PolarHBondContact O-N 3.4Å; L369-T373 PolarHBondContact O-OG1 3.31Å; L369-T373 VanDerWaalsContact O-OG1 3.12Å; R370-T373 PolarHBondContact O-N 3.1Å; R370-T373 PolarHBondContact O-OG1 3.25Å; T373-Q375 VanDerWaalsContact C-N 3.34Å; T373-Q375 PolarHBondContact O-N 2.92Å; T373-A376 PolarHBondContact O-N 2.87Å; T373-L377 WeakPolarHBondContact O-CB 3.38Å; T373-L377 VanDerWaalsContact O-CG 3.26Å; T373-L377 WeakPolarHBondContact O-CG 3.41Å; T373-L377 PolarHBondContact O-N 3.38Å; T373-R409 PolarHBondContact OG1-NH2 2.85Å |
| 374 | D | 89.6 | Confident | 84.5 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.1 | -50.9 | 170.5 | -71.9 | -41.8 | 0 | 0 | 0 | 110.5 | R370 A376 L377 D378 R409 | R370-D374 VanDerWaalsContact O-CG 3.31Å; R370-D374 PolarHBondContact O-N 3.24Å; D374-A376 VanDerWaalsContact C-N 3.29Å; D374-A376 PolarHBondContact O-N 2.75Å; D374-L377 PolarHBondContact O-N 3Å; D374-D378 VanDerWaalsContact O-CG 3.29Å; D374-D378 PolarHBondContact O-N 3.23Å; D374-R409 IonicContact OD1-CZ 3.16Å; D374-R409 IonicContact OD1-NE 3.74Å; D374-R409 PolarHBondContact OD1-NE 3.46Å; D374-R409 IonicContact OD1-NH2 2.75Å; D374-R409 PolarHBondContact OD1-NH2 2.88Å; D374-R409 IonicContact OD2-NH2 3.8Å |
| 375 | Q | 87.9 | Confident | 83.9 | Confident | 28 Ų | 28 | 51 Ų | 51 | 13% | 0.131 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -33.3 | 179.2 | -68.3 | 174.1 | 76.3 | 0 | 0 | 112.9 | L220 T221 K371 L372 T373 L379 | L220-Q375 HydrophobicContact CD2-CB 3.99Å; T221-Q375 VanDerWaalsContact CB-OE1 3.29Å; T221-Q375 PolarHBondContact O-NE2 3.3Å; T221-Q375 PolarHBondContact OG1-NE2 2.87Å; T221-Q375 PolarHBondContact OG1-OE1 2.83Å; K371-Q375 WeakPolarHBondContact O-CG 3.38Å; K371-Q375 PolarHBondContact O-N 3.44Å; K371-Q375 PolarHBondContact O-NE2 3.2Å; K371-Q375 VanDerWaalsContact O-NE2 3.08Å; L372-Q375 PolarHBondContact O-N 3.17Å; T373-Q375 VanDerWaalsContact C-N 3.34Å; T373-Q375 PolarHBondContact O-N 2.92Å; Q375-L379 WeakPolarHBondContact O-CG 3.45Å; Q375-L379 PolarHBondContact O-N 2.8Å; Q375-L379 VanDerWaalsContact O-N 3.14Å |
| 376 | A | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V239 L243 L372 T373 D374 L379 L380 | V239-A376 HydrophobicContact CG1-CB 3.83Å; L243-A376 HydrophobicContact CD2-CB 3.72Å; L243-A376 HydrophobicContact CG-CB 3.95Å; L372-A376 PolarHBondContact O-N 2.98Å; T373-A376 PolarHBondContact O-N 2.87Å; D374-A376 VanDerWaalsContact C-N 3.29Å; D374-A376 PolarHBondContact O-N 2.75Å; A376-L379 WeakPolarHBondContact O-CB 3.33Å; A376-L379 PolarHBondContact O-N 3.27Å; A376-L380 PolarHBondContact O-N 3Å |
| 377 | L | 88 | Confident | 83 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -36.3 | 174.9 | -67.9 | 173 | 0 | 0 | 0 | 112.2 | L243 T373 D374 L379 L380 D381 R405 H408 R409 | L243-L377 HydrophobicContact CD2-CD2 3.95Å; L243-L377 HydrophobicContact CD2-CG 4.45Å; T373-L377 WeakPolarHBondContact O-CB 3.38Å; T373-L377 VanDerWaalsContact O-CG 3.26Å; T373-L377 WeakPolarHBondContact O-CG 3.41Å; T373-L377 PolarHBondContact O-N 3.38Å; D374-L377 PolarHBondContact O-N 3Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 2.94Å; L377-L380 HydrophobicContact CD2-CD2 3.94Å; L377-L380 VanDerWaalsContact O-CB 3.29Å; L377-L380 WeakPolarHBondContact O-CB 3.43Å; L377-L380 PolarHBondContact O-N 2.98Å; L377-D381 PolarHBondContact O-N 3.02Å; L377-D381 VanDerWaalsContact O-N 3.08Å; L377-R405 HydrophobicContact CD2-CG 4.01Å; L377-R405 PolarHBondContact O-NH1 3.45Å; L377-H408 HydrophobicContact CD1-CB 3.75Å; L377-H408 HydrophobicContact CD2-CB 4.33Å; L377-H408 HydrophobicContact CG-CB 4.47Å; L377-R409 HydrophobicContact CD1-CG 3.76Å |
| 378 | D | 84 | Confident | 83.1 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 173.1 | -69.3 | -19.2 | 0 | 0 | 0 | 111.2 | D374 L380 D381 T382 | D374-D378 VanDerWaalsContact O-CG 3.29Å; D374-D378 PolarHBondContact O-N 3.23Å; D378-L380 VanDerWaalsContact C-N 3.34Å; D378-D381 PolarHBondContact O-N 2.96Å; D378-T382 PolarHBondContact O-OG1 3.08Å |
| 379 | L | 80.6 | Confident | 83 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 173.9 | -72.8 | 169.7 | 0 | 0 | 0 | 111.5 | V183 L220 V239 Q375 A376 L377 D381 T382 C383 | V183-L379 HydrophobicContact CG1-CD2 3.66Å; L220-L379 HydrophobicContact CD2-CD1 3.75Å; V239-L379 HydrophobicContact CG1-CD1 4.13Å; V239-L379 HydrophobicContact CG2-CD1 4.27Å; Q375-L379 WeakPolarHBondContact O-CG 3.45Å; Q375-L379 PolarHBondContact O-N 2.8Å; Q375-L379 VanDerWaalsContact O-N 3.14Å; A376-L379 WeakPolarHBondContact O-CB 3.33Å; A376-L379 PolarHBondContact O-N 3.27Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 2.94Å; L379-D381 VanDerWaalsContact C-N 3.27Å; L379-D381 PolarHBondContact O-N 3.3Å; L379-T382 PolarHBondContact O-N 3.33Å; L379-T382 PolarHBondContact O-OG1 3.43Å; L379-T382 VanDerWaalsContact O-OG1 3.07Å; L379-C383 WeakPolarHBondContact O-CB 2.86Å; L379-C383 PolarHBondContact O-N 3.32Å; L379-C383 PolarHBondContact O-SG 2.99Å; L379-C383 VanDerWaalsContact O-SG 3.38Å |
| 380 | L | 81.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -29.7 | 175.8 | -177.9 | 69.3 | 0 | 0 | 0 | 112.8 | L243 A376 L377 D378 T382 I385 P401 L404 R405 | L243-L380 HydrophobicContact CD1-CD1 4.43Å; L243-L380 HydrophobicContact CD2-CD2 4.33Å; A376-L380 PolarHBondContact O-N 3Å; L377-L380 HydrophobicContact CD2-CD2 3.94Å; L377-L380 VanDerWaalsContact O-CB 3.29Å; L377-L380 WeakPolarHBondContact O-CB 3.43Å; L377-L380 PolarHBondContact O-N 2.98Å; D378-L380 VanDerWaalsContact C-N 3.34Å; L380-T382 VanDerWaalsContact C-N 3.29Å; L380-I385 HydrophobicContact CD1-CD1 3.09Å; L380-I385 HydrophobicContact CD1-CG1 3.75Å; L380-P401 HydrophobicContact CD1-CB 3.98Å; L380-P401 HydrophobicContact CD1-CG 4.11Å; L380-P401 HydrophobicContact CD2-CB 4.15Å; L380-P401 HydrophobicContact CG-CB 3.96Å; L380-L404 HydrophobicContact CD2-CB 4.05Å; L380-L404 HydrophobicContact CD2-CD1 4.23Å; L380-R405 VanDerWaalsContact C-NH2 3.26Å; L380-R405 HydrophobicContact CD2-CG 4.49Å; L380-R405 PolarHBondContact O-NH2 3.29Å |
| 381 | D | 72.8 | Confident | 82.2 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.3 | -23.5 | 172.2 | -80 | -48.2 | 0 | 0 | 0 | 113.5 | L377 D378 L379 R405 | L377-D381 PolarHBondContact O-N 3.02Å; L377-D381 VanDerWaalsContact O-N 3.08Å; D378-D381 PolarHBondContact O-N 2.96Å; L379-D381 VanDerWaalsContact C-N 3.27Å; L379-D381 PolarHBondContact O-N 3.3Å; D381-R405 VanDerWaalsContact CG-NH2 3.26Å; D381-R405 VanDerWaalsContact N-NH2 3.17Å; D381-R405 IonicContact OD1-CZ 2.77Å; D381-R405 IonicContact OD1-NE 2.64Å; D381-R405 PolarHBondContact OD1-NE 2.95Å; D381-R405 IonicContact OD1-NH1 3.91Å; D381-R405 PolarHBondContact OD1-NH1 2.88Å; D381-R405 IonicContact OD1-NH2 3.83Å; D381-R405 PolarHBondContact OD1-NH2 2.86Å; D381-R405 IonicContact OD2-CZ 3.9Å; D381-R405 IonicContact OD2-NH1 3.68Å; D381-R405 PolarHBondContact OD2-NH1 2.97Å; D381-R405 IonicContact OD2-NH2 3.39Å |
| 382 | T | 69.4 | Low | 81.8 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -107.9 | -17.3 | -171.9 | 51.7 | 0 | 0 | 0 | 0 | 114 | V183 D378 L379 L380 | V183-T382 HydrophobicContact CB-CG2 3.99Å; V183-T382 HydrophobicContact CG2-CG2 3.58Å; D378-T382 PolarHBondContact O-OG1 3.08Å; L379-T382 PolarHBondContact O-N 3.33Å; L379-T382 PolarHBondContact O-OG1 3.43Å; L379-T382 VanDerWaalsContact O-OG1 3.07Å; L380-T382 VanDerWaalsContact C-N 3.29Å |
| 383 | C | 68.9 | Low | 81.3 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 28% | 0.284 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -110.7 | 122.5 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 109.3 | L379 I385 | L379-C383 WeakPolarHBondContact O-CB 2.86Å; L379-C383 PolarHBondContact O-N 3.32Å; L379-C383 PolarHBondContact O-SG 2.99Å; L379-C383 VanDerWaalsContact O-SG 3.38Å; C383-I385 PolarHBondContact O-N 3.24Å |
| 384 | A | 65.9 | Low | 80.8 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 90% | 0.901 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 118.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 385 | I | 74.7 | Confident | 80.2 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -88 | 129.5 | 171.8 | -62.1 | -164.4 | 0 | 0 | 0 | 108.5 | L380 C383 E387 L400 | L380-I385 HydrophobicContact CD1-CD1 3.09Å; L380-I385 HydrophobicContact CD1-CG1 3.75Å; C383-I385 PolarHBondContact O-N 3.24Å; I385-E387 PolarHBondContact O-N 3.48Å; I385-L400 HydrophobicContact CG2-CD2 4.06Å |
| 386 | E | 74.6 | Confident | 79.8 | Confident | 143 Ų | 143 | 59.5 Ų | 59.5 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 127.1 | 174.1 | -169.4 | 178.3 | 179.4 | 0 | 0 | 110.8 | L388 R888 | E386-L388 HydrophobicContact CG-CD2 4.35Å; E386-L388 PolarHBondContact O-N 2.92Å; E386-R888 PolarHBondContact O-NH2 2.82Å |
| 387 | E | 85.1 | Confident | 79.6 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | trans | -75.5 | 113.3 | 171.5 | -179.3 | 52.2 | -83.9 | 0 | 0 | 108.6 | I385 L389 R429 | I385-E387 PolarHBondContact O-N 3.48Å; E387-L389 PolarHBondContact OE1-N 3.27Å; E387-R429 IonicContact OE1-CZ 2.67Å; E387-R429 IonicContact OE1-NH2 3.35Å; E387-R429 PolarHBondContact OE1-NH2 3.13Å; E387-R429 IonicContact OE2-CZ 3.23Å; E387-R429 IonicContact OE2-NH2 3.61Å; E387-R429 PolarHBondContact OE2-NH2 3.46Å | ||
| 388 | L | 87.7 | Confident | 79.7 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | trans | -88.5 | -17.2 | -176.8 | -62.8 | -176.9 | 0 | 0 | 0 | 112.5 | E386 A884 L885 R888 | E386-L388 HydrophobicContact CG-CD2 4.35Å; E386-L388 PolarHBondContact O-N 2.92Å; L388-A884 HydrophobicContact CD1-CB 3.78Å; L388-A884 HydrophobicContact CD2-CB 3.72Å; L388-A884 HydrophobicContact CG-CB 4.37Å; L388-L885 HydrophobicContact CB-CD2 3.67Å; L388-L885 HydrophobicContact CB-CG 3.9Å; L388-L885 HydrophobicContact CD1-CD2 4.13Å; L388-L885 HydrophobicContact CD1-CG 4.3Å; L388-R888 HydrophobicContact CD1-CB 4.41Å | ||
| 389 | L | 87.8 | Confident | 79.9 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -73.8 | 131.6 | 171.4 | -69.3 | -164.5 | 0 | 0 | 0 | 109.9 | E387 M397 L432 E433 L436 L885 | E387-L389 PolarHBondContact OE1-N 3.27Å; L389-M397 HydrophobicContact CD1-SD 4.07Å; L389-L432 HydrophobicContact CD1-CD2 4.41Å; L389-E433 HydrophobicContact CD2-CG 4.38Å; L389-L436 HydrophobicContact CD2-CD1 3.72Å; L389-L885 HydrophobicContact CD2-CD1 4.28Å; L389-L885 HydrophobicContact CD2-CD2 4.31Å |
| 390 | P | 84.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | trans | -51.1 | 145 | 172.1 | -27.3 | 33.4 | 0 | 0 | 0 | 112.2 | E392 L393 S394 I874 Y878 | P390-E392 WeakPolarHBondContact CB-OE2 3.39Å; P390-E392 PolarHBondContact O-N 2.87Å; P390-L393 HydrophobicContact CG-CD1 4.41Å; P390-L393 PolarHBondContact O-N 3.29Å; P390-S394 PolarHBondContact O-N 2.95Å; P390-S394 VanDerWaalsContact O-N 3.11Å; P390-S394 PolarHBondContact O-OG 2.97Å; P390-I874 HydrophobicContact CG-CG1 4.03Å; P390-Y878 HydrophobicContact CB-CD2 4.06Å; P390-Y878 HydrophobicContact CB-CE2 3.73Å; P390-Y878 HydrophobicContact CG-CD1 4.48Å; P390-Y878 HydrophobicContact CG-CD2 3.52Å; P390-Y878 HydrophobicContact CG-CE2 3.74Å; P390-Y878 HydrophobicContact CG-CG 3.92Å | ||
| 391 | P | 81.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 53% | 0.526 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -52.7 | -31 | -177.4 | -28 | 35.3 | 0 | 0 | 0 | 114.3 | L393 S394 Q395 | P391-L393 PolarHBondContact O-N 3.25Å; P391-S394 WeakPolarHBondContact CA-OG 3.5Å; P391-S394 PolarHBondContact O-OG 3.42Å; P391-Q395 VanDerWaalsContact O-CG 3.25Å; P391-Q395 WeakPolarHBondContact O-CG 3.31Å; P391-Q395 PolarHBondContact O-N 3.37Å |
| 392 | E | 82.4 | Confident | 81.4 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -22.2 | 179.3 | -52.2 | 84 | 176.4 | 0 | 0 | 112.9 | P390 Y878 | P390-E392 WeakPolarHBondContact CB-OE2 3.39Å; P390-E392 PolarHBondContact O-N 2.87Å; E392-Y878 PolarHBondContact OE1-OH 2.89Å; E392-Y878 PolarHBondContact OE2-OH 2.84Å |
| 393 | L | 80.6 | Confident | 82.5 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -100 | -31.8 | -179.7 | -56.2 | -174.9 | 0 | 0 | 0 | 112.4 | P390 P391 Q395 M397 L870 I874 | P390-L393 HydrophobicContact CG-CD1 4.41Å; P390-L393 PolarHBondContact O-N 3.29Å; P391-L393 PolarHBondContact O-N 3.25Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-M397 VanDerWaalsContact O-SD 3.42Å; L393-L870 HydrophobicContact CD1-CB 4.37Å; L393-L870 HydrophobicContact CD1-CD1 4.35Å; L393-L870 HydrophobicContact CD1-CD2 4.01Å; L393-L870 HydrophobicContact CD1-CG 4.47Å; L393-L870 HydrophobicContact CD2-CD1 4.24Å; L393-L870 HydrophobicContact CD2-CD2 3.32Å; L393-L870 HydrophobicContact CD2-CG 4.35Å; L393-L870 HydrophobicContact CG-CD2 4.33Å; L393-I874 HydrophobicContact CD1-CD1 3.75Å; L393-I874 HydrophobicContact CD1-CG1 4.03Å |
| 394 | S | 81.6 | Confident | 83.6 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 22% | 0.217 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.1 | -19.3 | 179.5 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | P390 P391 G396 M397 | P390-S394 PolarHBondContact O-N 2.95Å; P390-S394 VanDerWaalsContact O-N 3.11Å; P390-S394 PolarHBondContact O-OG 2.97Å; P391-S394 WeakPolarHBondContact CA-OG 3.5Å; P391-S394 PolarHBondContact O-OG 3.42Å; S394-G396 PolarHBondContact O-N 3.45Å; S394-G396 VanDerWaalsContact O-N 3.15Å; S394-M397 PolarHBondContact O-N 3.32Å |
| 395 | Q | 75.8 | Confident | 84.8 | Confident | 157 Ų | 157 | 56 Ų | 56 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 117.2 | 176.5 | -86 | 174.8 | 16.6 | 0 | 0 | 112.2 | P391 L393 | P391-Q395 VanDerWaalsContact O-CG 3.25Å; P391-Q395 WeakPolarHBondContact O-CG 3.31Å; P391-Q395 PolarHBondContact O-N 3.37Å; L393-Q395 VanDerWaalsContact C-N 3.34Å |
| 396 | G | 79.4 | Confident | 85.6 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 95% | 0.948 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -3.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S394 | S394-G396 PolarHBondContact O-N 3.45Å; S394-G396 VanDerWaalsContact O-N 3.15Å |
| 397 | M | 85.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 29% | 0.286 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -88 | 154 | 171.6 | -54.4 | -167.7 | 81.1 | 0 | 0 | 111.4 | L389 L393 S394 R429 L432 | L389-M397 HydrophobicContact CD1-SD 4.07Å; L393-M397 VanDerWaalsContact O-SD 3.42Å; S394-M397 PolarHBondContact O-N 3.32Å; M397-R429 HydrophobicContact CE-CB 4.18Å; M397-R429 VanDerWaalsContact CE-CD 3.46Å; M397-R429 HydrophobicContact CE-CG 4.44Å; M397-L432 HydrophobicContact CE-CB 4.4Å; M397-L432 HydrophobicContact CE-CD2 3.55Å; M397-L432 HydrophobicContact SD-CD2 3.8Å |
| 398 | M | 88.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 44.1 Ų | 44.1 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 139.2 | 166.4 | -175.8 | 173 | -75.4 | 0 | 0 | 109.4 | E402 A403 P425 A426 R429 | M398-E402 HydrophobicContact CG-CB 3.57Å; M398-E402 HydrophobicContact SD-CB 4.1Å; M398-A403 HydrophobicContact CG-CB 4.3Å; M398-A403 HydrophobicContact SD-CB 4.19Å; M398-P425 HydrophobicContact CE-CB 4.46Å; M398-A426 HydrophobicContact SD-CB 3.7Å; M398-R429 WeakPolarHBondContact O-CD 3.44Å; M398-R429 WeakPolarHBondContact O-CG 3.49Å |
| 399 | T | 88.6 | Confident | 87.1 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 152.8 | 178.7 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | E402 A403 | T399-E402 WeakPolarHBondContact CB-OE2 3.19Å; T399-E402 WeakPolarHBondContact CG2-OE2 3.33Å; T399-E402 PolarHBondContact N-OE2 3.03Å; T399-E402 VanDerWaalsContact N-OE2 3.13Å; T399-E402 PolarHBondContact O-N 3.3Å; T399-E402 WeakPolarHBondContact OG1-CB 3.32Å; T399-E402 WeakPolarHBondContact OG1-CG 3.49Å; T399-E402 PolarHBondContact OG1-N 3.37Å; T399-E402 PolarHBondContact OG1-OE2 3.5Å; T399-A403 WeakPolarHBondContact O-CB 3.47Å; T399-A403 PolarHBondContact O-N 3.49Å |
| 400 | L | 88.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.5 | -44.6 | 178.4 | 176.6 | 65.1 | 0 | 0 | 0 | 112.4 | I385 E402 A403 L404 L430 | I385-L400 HydrophobicContact CG2-CD2 4.06Å; L400-E402 PolarHBondContact O-N 3.4Å; L400-A403 PolarHBondContact O-N 3.13Å; L400-L404 HydrophobicContact CD1-CD1 3.99Å; L400-L404 HydrophobicContact CD1-CG 4.04Å; L400-L404 HydrophobicContact CG-CD1 4Å; L400-L404 HydrophobicContact CG-CG 4.46Å; L400-L404 VanDerWaalsContact O-CG 3.31Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 2.91Å; L400-L430 HydrophobicContact CD1-CD2 3.44Å; L400-L430 VanDerWaalsContact CD1-CD2 3.44Å |
| 401 | P | 89.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177 | -26.4 | 36.9 | 0 | 0 | 0 | 114.2 | L380 R405 | L380-P401 HydrophobicContact CD1-CB 3.98Å; L380-P401 HydrophobicContact CD1-CG 4.11Å; L380-P401 HydrophobicContact CD2-CB 4.15Å; L380-P401 HydrophobicContact CG-CB 3.96Å; P401-R405 WeakPolarHBondContact O-CG 3.44Å; P401-R405 PolarHBondContact O-N 2.9Å |
| 402 | E | 89.3 | Confident | 87.4 | Confident | 100 Ų | 100 | 46.7 Ų | 46.7 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.8 | -71.9 | 166.6 | 156.8 | 0 | 0 | 111.6 | M398 T399 L400 R405 T406 | M398-E402 HydrophobicContact CG-CB 3.57Å; M398-E402 HydrophobicContact SD-CB 4.1Å; T399-E402 WeakPolarHBondContact CB-OE2 3.19Å; T399-E402 WeakPolarHBondContact CG2-OE2 3.33Å; T399-E402 PolarHBondContact N-OE2 3.03Å; T399-E402 VanDerWaalsContact N-OE2 3.13Å; T399-E402 PolarHBondContact O-N 3.3Å; T399-E402 WeakPolarHBondContact OG1-CB 3.32Å; T399-E402 WeakPolarHBondContact OG1-CG 3.49Å; T399-E402 PolarHBondContact OG1-N 3.37Å; T399-E402 PolarHBondContact OG1-OE2 3.5Å; L400-E402 PolarHBondContact O-N 3.4Å; E402-R405 PolarHBondContact O-N 3.32Å; E402-T406 WeakPolarHBondContact O-CB 3.33Å; E402-T406 PolarHBondContact O-N 2.77Å; E402-T406 PolarHBondContact O-OG1 2.64Å |
| 403 | A | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | M398 T399 L400 T406 L407 A426 R429 | M398-A403 HydrophobicContact CG-CB 4.3Å; M398-A403 HydrophobicContact SD-CB 4.19Å; T399-A403 WeakPolarHBondContact O-CB 3.47Å; T399-A403 PolarHBondContact O-N 3.49Å; L400-A403 PolarHBondContact O-N 3.13Å; A403-T406 PolarHBondContact O-N 2.77Å; A403-L407 VanDerWaalsContact O-CG 3.26Å; A403-L407 WeakPolarHBondContact O-CG 3.45Å; A403-L407 PolarHBondContact O-N 3.1Å; A403-A426 HydrophobicContact CB-CB 4.03Å; A403-R429 HydrophobicContact CB-CB 4.42Å; A403-R429 HydrophobicContact CB-CG 4.4Å |
| 404 | L | 92 | Very high | 87.7 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.8 | -67.8 | 172.1 | 0 | 0 | 0 | 112 | L243 L244 L380 L400 T406 L407 H408 L430 | L243-L404 HydrophobicContact CB-CD1 4.25Å; L243-L404 WeakPolarHBondContact O-CD2 3.35Å; L244-L404 HydrophobicContact CD2-CD2 4.24Å; L380-L404 HydrophobicContact CD2-CB 4.05Å; L380-L404 HydrophobicContact CD2-CD1 4.23Å; L400-L404 HydrophobicContact CD1-CD1 3.99Å; L400-L404 HydrophobicContact CD1-CG 4.04Å; L400-L404 HydrophobicContact CG-CD1 4Å; L400-L404 HydrophobicContact CG-CG 4.46Å; L400-L404 VanDerWaalsContact O-CG 3.31Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 2.91Å; L404-T406 PolarHBondContact O-N 2.77Å; L404-L407 PolarHBondContact O-N 2.89Å; L404-H408 WeakPolarHBondContact O-CB 3.4Å; L404-H408 PolarHBondContact O-CD2 3.15Å; L404-H408 PolarHBondContact O-N 2.95Å; L404-L430 HydrophobicContact CD2-CD1 4.11Å; L404-L430 HydrophobicContact CD2-CD2 4.36Å |
| 405 | R | 91.5 | Very high | 87.8 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 174.4 | -78.2 | -179.1 | -140.7 | -62.5 | -12 | 111.8 | L377 L380 D381 P401 E402 L407 H408 R409 | L377-R405 HydrophobicContact CD2-CG 4.01Å; L377-R405 PolarHBondContact O-NH1 3.45Å; L380-R405 VanDerWaalsContact C-NH2 3.26Å; L380-R405 HydrophobicContact CD2-CG 4.49Å; L380-R405 PolarHBondContact O-NH2 3.29Å; D381-R405 VanDerWaalsContact CG-NH2 3.26Å; D381-R405 VanDerWaalsContact N-NH2 3.17Å; D381-R405 IonicContact OD1-CZ 2.77Å; D381-R405 IonicContact OD1-NE 2.64Å; D381-R405 PolarHBondContact OD1-NE 2.95Å; D381-R405 IonicContact OD1-NH1 3.91Å; D381-R405 PolarHBondContact OD1-NH1 2.88Å; D381-R405 IonicContact OD1-NH2 3.83Å; D381-R405 PolarHBondContact OD1-NH2 2.86Å; D381-R405 IonicContact OD2-CZ 3.9Å; D381-R405 IonicContact OD2-NH1 3.68Å; D381-R405 PolarHBondContact OD2-NH1 2.97Å; D381-R405 IonicContact OD2-NH2 3.39Å; P401-R405 WeakPolarHBondContact O-CG 3.44Å; P401-R405 PolarHBondContact O-N 2.9Å; E402-R405 PolarHBondContact O-N 3.32Å; R405-L407 VanDerWaalsContact C-N 3.27Å; R405-L407 PolarHBondContact O-N 3.18Å; R405-H408 PolarHBondContact O-N 3.2Å; R405-R409 CarbonylContact O-C 3.58Å; R405-R409 WeakPolarHBondContact O-CA 3.41Å; R405-R409 PolarHBondContact O-N 2.88Å |
| 406 | T | 91.8 | Very high | 88.1 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 17% | 0.172 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | -177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | E402 A403 L404 P410 L414 A426 | E402-T406 WeakPolarHBondContact O-CB 3.33Å; E402-T406 PolarHBondContact O-N 2.77Å; E402-T406 PolarHBondContact O-OG1 2.64Å; A403-T406 PolarHBondContact O-N 2.77Å; L404-T406 PolarHBondContact O-N 2.77Å; T406-P410 WeakPolarHBondContact O-CA 3.15Å; T406-P410 WeakPolarHBondContact O-CB 3.38Å; T406-P410 WeakPolarHBondContact O-CD 3.39Å; T406-L414 HydrophobicContact CG2-CD1 3.75Å; T406-A426 HydrophobicContact CG2-CB 4.25Å |
| 407 | L | 92.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.5 | -32.6 | 178.7 | -63.4 | 173.2 | 0 | 0 | 0 | 113 | L246 Y250 A403 L404 R405 L419 A426 Q427 L430 | L246-L407 HydrophobicContact CD1-CD1 4.16Å; L246-L407 HydrophobicContact CD2-CB 4.29Å; L246-L407 HydrophobicContact CD2-CD1 4.36Å; Y250-L407 WeakPolarHBondContact CE1-O 3.26Å; Y250-L407 PolarHBondContact OH-O 2.94Å; A403-L407 VanDerWaalsContact O-CG 3.26Å; A403-L407 WeakPolarHBondContact O-CG 3.45Å; A403-L407 PolarHBondContact O-N 3.1Å; L404-L407 PolarHBondContact O-N 2.89Å; R405-L407 VanDerWaalsContact C-N 3.27Å; R405-L407 PolarHBondContact O-N 3.18Å; L407-L419 HydrophobicContact CD2-CD2 3.58Å; L407-A426 HydrophobicContact CD1-CB 4.23Å; L407-A426 HydrophobicContact CD2-CB 4Å; L407-A426 HydrophobicContact CG-CB 3.86Å; L407-Q427 HydrophobicContact CD1-CG 4.28Å; L407-Q427 HydrophobicContact CD2-CG 3.45Å; L407-Q427 VanDerWaalsContact CD2-CG 3.45Å; L407-L430 HydrophobicContact CD1-CD1 3.4Å; L407-L430 VanDerWaalsContact CD1-CD1 3.4Å; L407-L430 HydrophobicContact CD1-CG 4.27Å |
| 408 | H | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -81.2 | -34.4 | 176.2 | -79.6 | -68.2 | 0 | 0 | 0 | 113.1 | L243 H245 P356 Y358 L377 L404 R405 P410 | L243-H408 PolarHBondContact O-NE2 2.99Å; H245-H408 PolarHBondContact O-CE1 3.48Å; P356-H408 WeakPolarHBondContact CG-O 3.5Å; Y358-H408 AromaticContact CE1-CE1 3.73Å; Y358-H408 AromaticContact CE1-ND1 3.48Å; Y358-H408 WeakPolarHBondContact CE1-ND1 3.4Å; Y358-H408 AromaticContact CZ-ND1 3.6Å; Y358-H408 PolarHBondContact OH-ND1 3.06Å; L377-H408 HydrophobicContact CD1-CB 3.75Å; L377-H408 HydrophobicContact CD2-CB 4.33Å; L377-H408 HydrophobicContact CG-CB 4.47Å; L404-H408 WeakPolarHBondContact O-CB 3.4Å; L404-H408 PolarHBondContact O-CD2 3.15Å; L404-H408 PolarHBondContact O-N 2.95Å; R405-H408 PolarHBondContact O-N 3.2Å; H408-P410 VanDerWaalsContact C-CD 3.47Å |
| 409 | R | 92.2 | Very high | 88 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -132.7 | 61.8 | -175.9 | -60.1 | -65.4 | 174.3 | -76.7 | -2 | 109.8 | T353 Y358 R370 T373 D374 L377 R405 | T353-R409 HydrophobicContact CG2-CB 4.06Å; Y358-R409 PolarHBondContact OH-NH1 3.25Å; R370-R409 PolarHBondContact O-NH2 2.86Å; R370-R409 VanDerWaalsContact O-NH2 3.09Å; T373-R409 PolarHBondContact OG1-NH2 2.85Å; D374-R409 IonicContact OD1-CZ 3.16Å; D374-R409 IonicContact OD1-NE 3.74Å; D374-R409 PolarHBondContact OD1-NE 3.46Å; D374-R409 IonicContact OD1-NH2 2.75Å; D374-R409 PolarHBondContact OD1-NH2 2.88Å; D374-R409 IonicContact OD2-NH2 3.8Å; L377-R409 HydrophobicContact CD1-CG 3.76Å; R405-R409 CarbonylContact O-C 3.58Å; R405-R409 WeakPolarHBondContact O-CA 3.41Å; R405-R409 PolarHBondContact O-N 2.88Å |
| 410 | P | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -63.4 | 134.8 | -178.4 | 24.3 | -33.6 | 0 | 0 | 0 | 111 | Y250 T353 L354 T406 H408 L414 L419 | Y250-P410 HydrophobicContact CD1-CG 3.5Å; Y250-P410 VanDerWaalsContact CD1-CG 3.5Å; Y250-P410 HydrophobicContact CE1-CG 3.55Å; Y250-P410 HydrophobicContact CG-CG 4.24Å; T353-P410 WeakPolarHBondContact CA-O 3.47Å; T353-P410 VanDerWaalsContact CB-O 3.3Å; T353-P410 WeakPolarHBondContact CB-O 3.36Å; L354-P410 HydrophobicContact CB-CG 4Å; L354-P410 HydrophobicContact CD1-CB 4.34Å; L354-P410 HydrophobicContact CD1-CG 4.28Å; L354-P410 PolarHBondContact N-O 3.44Å; T406-P410 WeakPolarHBondContact O-CA 3.15Å; T406-P410 WeakPolarHBondContact O-CB 3.38Å; T406-P410 WeakPolarHBondContact O-CD 3.39Å; H408-P410 VanDerWaalsContact C-CD 3.47Å; P410-L414 HydrophobicContact CB-CD1 3.97Å; P410-L419 HydrophobicContact CB-CD1 4.48Å | ||
| 411 | P | 88.5 | Confident | 87.2 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | trans | -65.4 | 153.2 | 179.2 | 27.1 | -32.5 | 0 | 0 | 0 | 110.5 | T413 L414 | P411-T413 PolarHBondContact O-N 3.03Å; P411-T413 VanDerWaalsContact O-N 3.09Å; P411-L414 HydrophobicContact CG-CB 4.15Å; P411-L414 VanDerWaalsContact O-CB 3.22Å; P411-L414 WeakPolarHBondContact O-CB 3.35Å; P411-L414 PolarHBondContact O-N 3.17Å | ||
| 412 | P | 83.1 | Confident | 86.9 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.2 | -179.3 | -18.1 | 28.7 | 0 | 0 | 0 | 113.8 | T254 E352 L414 | T254-P412 HydrophobicContact CG2-CB 4.13Å; T254-P412 HydrophobicContact CG2-CG 3.89Å; E352-P412 VanDerWaalsContact O-CD 3.27Å; E352-P412 WeakPolarHBondContact O-CD 3.26Å; E352-P412 WeakPolarHBondContact O-CG 3.39Å; P412-L414 VanDerWaalsContact C-N 3.25Å; P412-L414 PolarHBondContact O-N 2.95Å |
| 413 | T | 84.4 | Confident | 86.7 | Confident | 130 Ų | 130 | 49 Ų | 49 | 80% | 0.798 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | P411 | P411-T413 PolarHBondContact O-N 3.03Å; P411-T413 VanDerWaalsContact O-N 3.09Å |
| 414 | L | 84.6 | Confident | 86.6 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -74.7 | 128.1 | -177.5 | -167.7 | 154.7 | 0 | 0 | 0 | 110.1 | T406 P410 P411 P412 L416 L419 H424 | T406-L414 HydrophobicContact CG2-CD1 3.75Å; P410-L414 HydrophobicContact CB-CD1 3.97Å; P411-L414 HydrophobicContact CG-CB 4.15Å; P411-L414 VanDerWaalsContact O-CB 3.22Å; P411-L414 WeakPolarHBondContact O-CB 3.35Å; P411-L414 PolarHBondContact O-N 3.17Å; P412-L414 VanDerWaalsContact C-N 3.25Å; P412-L414 PolarHBondContact O-N 2.95Å; L414-L416 PolarHBondContact O-N 3.46Å; L414-L419 HydrophobicContact CD1-CD1 4.42Å; L414-L419 HydrophobicContact CD2-CD1 3.36Å; L414-L419 HydrophobicContact CD2-CD2 4.4Å; L414-L419 HydrophobicContact CD2-CG 3.58Å; L414-H424 WeakPolarHBondContact CD1-NE2 3.44Å |
| 415 | Q | 82.5 | Confident | 86.6 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 59% | 0.589 | 29% | 0.288 | S | S | * | . | trans | -72.9 | 111.6 | 176.7 | -64.1 | -172.2 | 25.2 | 0 | 0 | 110.4 | S417 D418 | Q415-S417 PolarHBondContact O-N 2.98Å; Q415-S417 VanDerWaalsContact O-N 3.12Å; Q415-D418 WeakPolarHBondContact O-CB 3.48Å; Q415-D418 PolarHBondContact O-N 3.39Å | ||
| 416 | L | 82.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.8 | -30.3 | 179.7 | -72.9 | 176.1 | 0 | 0 | 0 | 113.1 | Y250 L354 L414 D418 L419 E420 | Y250-L416 HydrophobicContact CD2-CD2 3.92Å; Y250-L416 HydrophobicContact CG-CD2 4.07Å; L354-L416 HydrophobicContact CD1-CD2 3.74Å; L354-L416 HydrophobicContact CD1-CG 4.2Å; L414-L416 PolarHBondContact O-N 3.46Å; L416-D418 PolarHBondContact O-N 3.37Å; L416-L419 HydrophobicContact CD2-CD1 4.49Å; L416-L419 PolarHBondContact O-N 2.77Å; L416-L419 VanDerWaalsContact O-N 3.07Å; L416-E420 WeakPolarHBondContact O-CG 3.41Å; L416-E420 PolarHBondContact O-N 3.28Å |
| 417 | S | 83 | Confident | 86.5 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 38% | 0.378 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.2 | -34.1 | 174.4 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | Q415 L419 E420 T421 | Q415-S417 PolarHBondContact O-N 2.98Å; Q415-S417 VanDerWaalsContact O-N 3.12Å; S417-L419 VanDerWaalsContact C-N 3.32Å; S417-E420 PolarHBondContact O-N 3.32Å; S417-T421 WeakPolarHBondContact O-CB 3.38Å; S417-T421 VanDerWaalsContact O-CG2 3.27Å; S417-T421 WeakPolarHBondContact O-CG2 3.32Å; S417-T421 PolarHBondContact O-N 3.1Å; S417-T421 PolarHBondContact O-OG1 3.39Å |
| 418 | D | 84.8 | Confident | 86.5 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.2 | -31.1 | 179.4 | -64.5 | -10.3 | 0 | 0 | 0 | 111.1 | Q415 L416 T421 G422 Q423 H424 Q427 | Q415-D418 WeakPolarHBondContact O-CB 3.48Å; Q415-D418 PolarHBondContact O-N 3.39Å; L416-D418 PolarHBondContact O-N 3.37Å; D418-T421 PolarHBondContact O-OG1 3.42Å; D418-G422 PolarHBondContact O-N 3.41Å; D418-Q423 PolarHBondContact O-N 2.89Å; D418-H424 HydrophobicContact CB-CB 4.33Å; D418-H424 PolarHBondContact O-N 3.02Å; D418-Q427 PolarHBondContact O-OE1 2.85Å |
| 419 | L | 83.6 | Confident | 86.4 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -76.6 | -38.8 | 174 | -67.9 | 175.3 | 0 | 0 | 0 | 112.3 | Y250 L407 P410 L414 L416 S417 T421 G422 H424 Q427 | Y250-L419 HydrophobicContact CD2-CD1 3.91Å; Y250-L419 HydrophobicContact CE2-CB 4.33Å; Y250-L419 HydrophobicContact CE2-CD1 3.5Å; Y250-L419 HydrophobicContact CE2-CG 4.46Å; L407-L419 HydrophobicContact CD2-CD2 3.58Å; P410-L419 HydrophobicContact CB-CD1 4.48Å; L414-L419 HydrophobicContact CD1-CD1 4.42Å; L414-L419 HydrophobicContact CD2-CD1 3.36Å; L414-L419 HydrophobicContact CD2-CD2 4.4Å; L414-L419 HydrophobicContact CD2-CG 3.58Å; L416-L419 HydrophobicContact CD2-CD1 4.49Å; L416-L419 PolarHBondContact O-N 2.77Å; L416-L419 VanDerWaalsContact O-N 3.07Å; S417-L419 VanDerWaalsContact C-N 3.32Å; L419-T421 VanDerWaalsContact C-N 3.3Å; L419-G422 PolarHBondContact O-N 2.85Å; L419-H424 HydrophobicContact CD2-CB 3.65Å; L419-H424 HydrophobicContact CG-CB 4.44Å; L419-Q427 VanDerWaalsContact CA-OE1 3.26Å; L419-Q427 HydrophobicContact CD2-CG 3.81Å; L419-Q427 PolarHBondContact O-NE2 3.25Å; L419-Q427 PolarHBondContact O-OE1 3.42Å; L419-Q427 VanDerWaalsContact O-OE1 3.08Å |
| 420 | E | 79.4 | Confident | 86.4 | Confident | 152 Ų | 152 | 54.2 Ų | 54.2 | 71% | 0.71 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 175.7 | -71.8 | 175.5 | 173.8 | 0 | 0 | 111.2 | L416 S417 | L416-E420 WeakPolarHBondContact O-CG 3.41Å; L416-E420 PolarHBondContact O-N 3.28Å; S417-E420 PolarHBondContact O-N 3.32Å |
| 421 | T | 81.7 | Confident | 86.4 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -2.7 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | S417 D418 L419 Q423 R859 | S417-T421 WeakPolarHBondContact O-CB 3.38Å; S417-T421 VanDerWaalsContact O-CG2 3.27Å; S417-T421 WeakPolarHBondContact O-CG2 3.32Å; S417-T421 PolarHBondContact O-N 3.1Å; S417-T421 PolarHBondContact O-OG1 3.39Å; D418-T421 PolarHBondContact O-OG1 3.42Å; L419-T421 VanDerWaalsContact C-N 3.3Å; T421-Q423 PolarHBondContact O-N 2.86Å; T421-R859 WeakPolarHBondContact O-CD 3.48Å |
| 422 | G | 82.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 8.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D418 L419 | D418-G422 PolarHBondContact O-N 3.41Å; L419-G422 PolarHBondContact O-N 2.85Å |
| 423 | Q | 85.3 | Confident | 86.9 | Confident | 124 Ų | 124 | 49.8 Ų | 49.8 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | trans | -89.7 | -17 | -168.8 | -64.7 | -173.2 | 13.8 | 0 | 0 | 113.3 | D418 T421 R428 | D418-Q423 PolarHBondContact O-N 2.89Å; T421-Q423 PolarHBondContact O-N 2.86Å; Q423-R428 VanDerWaalsContact O-CD 3.28Å; Q423-R428 WeakPolarHBondContact O-CD 3.37Å | ||
| 424 | H | 90.4 | Very high | 87.2 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 13% | 0.13 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -60.5 | 135.7 | -178 | -168.9 | -87.7 | 0 | 0 | 0 | 111.5 | L414 D418 L419 A426 Q427 R428 | L414-H424 WeakPolarHBondContact CD1-NE2 3.44Å; D418-H424 HydrophobicContact CB-CB 4.33Å; D418-H424 PolarHBondContact O-N 3.02Å; L419-H424 HydrophobicContact CD2-CB 3.65Å; L419-H424 HydrophobicContact CG-CB 4.44Å; H424-A426 VanDerWaalsContact ND1-CB 3.29Å; H424-A426 WeakPolarHBondContact ND1-CB 3.45Å; H424-A426 PolarHBondContact ND1-N 3.48Å; H424-A426 VanDerWaalsContact ND1-N 3.19Å; H424-A426 PolarHBondContact O-N 3.36Å; H424-A426 VanDerWaalsContact O-N 3.1Å; H424-Q427 PolarHBondContact O-N 3.34Å; H424-R428 PolarHBondContact O-N 2.76Å |
| 425 | P | 90.9 | Very high | 87.3 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.6 | -37.4 | -177.4 | -29.3 | 35.2 | 0 | 0 | 0 | 114.4 | M398 R428 R429 | M398-P425 HydrophobicContact CE-CB 4.46Å; P425-R428 PolarHBondContact O-N 3.2Å; P425-R429 WeakPolarHBondContact O-CB 3.24Å; P425-R429 PolarHBondContact O-N 2.87Å |
| 426 | A | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M398 A403 T406 L407 H424 | M398-A426 HydrophobicContact SD-CB 3.7Å; A403-A426 HydrophobicContact CB-CB 4.03Å; T406-A426 HydrophobicContact CG2-CB 4.25Å; L407-A426 HydrophobicContact CD1-CB 4.23Å; L407-A426 HydrophobicContact CD2-CB 4Å; L407-A426 HydrophobicContact CG-CB 3.86Å; H424-A426 VanDerWaalsContact ND1-CB 3.29Å; H424-A426 WeakPolarHBondContact ND1-CB 3.45Å; H424-A426 PolarHBondContact ND1-N 3.48Å; H424-A426 VanDerWaalsContact ND1-N 3.19Å; H424-A426 PolarHBondContact O-N 3.36Å; H424-A426 VanDerWaalsContact O-N 3.1Å |
| 427 | Q | 90.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.3 | -46.3 | 176 | -69.9 | 179.9 | -46.4 | 0 | 0 | 110.5 | L407 D418 L419 H424 R429 L430 I431 | L407-Q427 HydrophobicContact CD1-CG 4.28Å; L407-Q427 HydrophobicContact CD2-CG 3.45Å; L407-Q427 VanDerWaalsContact CD2-CG 3.45Å; D418-Q427 PolarHBondContact O-OE1 2.85Å; L419-Q427 VanDerWaalsContact CA-OE1 3.26Å; L419-Q427 HydrophobicContact CD2-CG 3.81Å; L419-Q427 PolarHBondContact O-NE2 3.25Å; L419-Q427 PolarHBondContact O-OE1 3.42Å; L419-Q427 VanDerWaalsContact O-OE1 3.08Å; H424-Q427 PolarHBondContact O-N 3.34Å; Q427-R429 PolarHBondContact O-N 2.75Å; Q427-L430 PolarHBondContact O-N 3.3Å; Q427-I431 HydrophobicContact CB-CD1 4.04Å; Q427-I431 WeakPolarHBondContact O-CB 3.18Å; Q427-I431 WeakPolarHBondContact O-CD1 3.33Å; Q427-I431 WeakPolarHBondContact O-CG1 3.35Å; Q427-I431 PolarHBondContact O-N 3.45Å |
| 428 | R | 91 | Very high | 87.9 | Confident | 119 Ų | 119 | 33.2 Ų | 33.2 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56 | -38.7 | 179.8 | -69.7 | -172.4 | 66.9 | 145.9 | 1.7 | 112.4 | Q423 H424 P425 L432 | Q423-R428 VanDerWaalsContact O-CD 3.28Å; Q423-R428 WeakPolarHBondContact O-CD 3.37Å; H424-R428 PolarHBondContact O-N 2.76Å; P425-R428 PolarHBondContact O-N 3.2Å; R428-L432 VanDerWaalsContact O-CB 3.28Å; R428-L432 WeakPolarHBondContact O-CB 3.15Å; R428-L432 PolarHBondContact O-N 3.45Å |
| 429 | R | 91.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -48.2 | 174.6 | 178 | 66.9 | -179 | 83.8 | 2.7 | 112.4 | E387 M397 M398 A403 P425 Q427 E433 | E387-R429 IonicContact OE1-CZ 2.67Å; E387-R429 IonicContact OE1-NH2 3.35Å; E387-R429 PolarHBondContact OE1-NH2 3.13Å; E387-R429 IonicContact OE2-CZ 3.23Å; E387-R429 IonicContact OE2-NH2 3.61Å; E387-R429 PolarHBondContact OE2-NH2 3.46Å; M397-R429 HydrophobicContact CE-CB 4.18Å; M397-R429 VanDerWaalsContact CE-CD 3.46Å; M397-R429 HydrophobicContact CE-CG 4.44Å; M398-R429 WeakPolarHBondContact O-CD 3.44Å; M398-R429 WeakPolarHBondContact O-CG 3.49Å; A403-R429 HydrophobicContact CB-CB 4.42Å; A403-R429 HydrophobicContact CB-CG 4.4Å; P425-R429 WeakPolarHBondContact O-CB 3.24Å; P425-R429 PolarHBondContact O-N 2.87Å; Q427-R429 PolarHBondContact O-N 2.75Å; R429-E433 IonicContact CZ-OE2 3.16Å; R429-E433 VanDerWaalsContact CZ-OE2 3.31Å; R429-E433 IonicContact NH1-OE2 2.79Å; R429-E433 PolarHBondContact NH1-OE2 3.41Å; R429-E433 IonicContact NH2-OE2 2.64Å; R429-E433 PolarHBondContact NH2-OE2 3.32Å; R429-E433 PolarHBondContact O-N 3.25Å |
| 430 | L | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.7 | -41.4 | -179.6 | -67.5 | -172.6 | 0 | 0 | 0 | 112.2 | L246 L400 L404 L407 Q427 L432 E433 E434 V854 W889 | L246-L430 HydrophobicContact CD1-CD1 3.82Å; L246-L430 HydrophobicContact CD2-CD1 4.22Å; L400-L430 HydrophobicContact CD1-CD2 3.44Å; L400-L430 VanDerWaalsContact CD1-CD2 3.44Å; L404-L430 HydrophobicContact CD2-CD1 4.11Å; L404-L430 HydrophobicContact CD2-CD2 4.36Å; L407-L430 HydrophobicContact CD1-CD1 3.4Å; L407-L430 VanDerWaalsContact CD1-CD1 3.4Å; L407-L430 HydrophobicContact CD1-CG 4.27Å; Q427-L430 PolarHBondContact O-N 3.3Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 2.87Å; L430-E433 PolarHBondContact O-N 3.25Å; L430-E434 WeakPolarHBondContact O-CB 3.41Å; L430-E434 PolarHBondContact O-N 3.02Å; L430-V854 HydrophobicContact CB-CB 4.45Å; L430-V854 HydrophobicContact CB-CG1 4.14Å; L430-V854 HydrophobicContact CB-CG2 4.11Å; L430-V854 HydrophobicContact CD1-CG2 4.4Å; L430-W889 HydrophobicContact CB-CH2 4.07Å; L430-W889 HydrophobicContact CB-CZ2 4.42Å; L430-W889 HydrophobicContact CD2-CH2 4.23Å; L430-W889 HydrophobicContact CD2-CZ2 4.08Å |
| 431 | I | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 175.9 | -65.5 | 161.7 | 0 | 0 | 0 | 110 | Q427 E434 L435 V854 A855 R859 D860 M863 | Q427-I431 HydrophobicContact CB-CD1 4.04Å; Q427-I431 WeakPolarHBondContact O-CB 3.18Å; Q427-I431 WeakPolarHBondContact O-CD1 3.33Å; Q427-I431 WeakPolarHBondContact O-CG1 3.35Å; Q427-I431 PolarHBondContact O-N 3.45Å; I431-E434 PolarHBondContact O-N 3.41Å; I431-L435 HydrophobicContact CG2-CD1 3.77Å; I431-L435 HydrophobicContact CG2-CG 4.25Å; I431-L435 WeakPolarHBondContact O-CB 3.49Å; I431-L435 VanDerWaalsContact O-CG 3.23Å; I431-L435 WeakPolarHBondContact O-CG 3.4Å; I431-L435 PolarHBondContact O-N 2.95Å; I431-V854 HydrophobicContact CG1-CB 4.24Å; I431-V854 HydrophobicContact CG1-CG1 3.73Å; I431-A855 HydrophobicContact CG2-CB 3.86Å; I431-R859 VanDerWaalsContact CD1-NH2 3.29Å; I431-D860 HydrophobicContact CG2-CB 3.94Å; I431-D860 WeakPolarHBondContact CG2-OD2 3.27Å; I431-M863 HydrophobicContact CB-CE 4.11Å; I431-M863 HydrophobicContact CD1-CE 4.44Å; I431-M863 HydrophobicContact CG2-CE 3.34Å |
| 432 | L | 91 | Very high | 87.4 | Confident | 14 Ų | 14 | 21.8 Ų | 21.8 | 7% | 0.073 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 176.8 | -175.5 | 77.1 | 0 | 0 | 0 | 110.8 | L389 M397 R428 L430 E434 L435 L436 V867 L870 | L389-L432 HydrophobicContact CD1-CD2 4.41Å; M397-L432 HydrophobicContact CE-CB 4.4Å; M397-L432 HydrophobicContact CE-CD2 3.55Å; M397-L432 HydrophobicContact SD-CD2 3.8Å; R428-L432 VanDerWaalsContact O-CB 3.28Å; R428-L432 WeakPolarHBondContact O-CB 3.15Å; R428-L432 PolarHBondContact O-N 3.45Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 2.87Å; L432-E434 PolarHBondContact O-N 2.98Å; L432-L435 PolarHBondContact O-N 2.93Å; L432-L436 HydrophobicContact CD2-CD1 4.31Å; L432-L436 HydrophobicContact CG-CD1 3.9Å; L432-L436 HydrophobicContact CG-CG 4.4Å; L432-L436 VanDerWaalsContact O-CB 3.27Å; L432-L436 WeakPolarHBondContact O-CB 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.27Å; L432-L436 PolarHBondContact O-N 3.36Å; L432-V867 HydrophobicContact CD1-CG2 3.71Å; L432-L870 HydrophobicContact CD1-CD1 4.38Å |
| 433 | E | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | -177.7 | -158.7 | 177.6 | 128.6 | 0 | 0 | 112.5 | L389 R429 L430 L436 A437 L885 R888 W889 | L389-E433 HydrophobicContact CD2-CG 4.38Å; R429-E433 IonicContact CZ-OE2 3.16Å; R429-E433 VanDerWaalsContact CZ-OE2 3.31Å; R429-E433 IonicContact NH1-OE2 2.79Å; R429-E433 PolarHBondContact NH1-OE2 3.41Å; R429-E433 IonicContact NH2-OE2 2.64Å; R429-E433 PolarHBondContact NH2-OE2 3.32Å; R429-E433 PolarHBondContact O-N 3.25Å; L430-E433 PolarHBondContact O-N 3.25Å; E433-L436 WeakPolarHBondContact O-CB 3.29Å; E433-L436 PolarHBondContact O-N 2.8Å; E433-A437 WeakPolarHBondContact O-CB 3.33Å; E433-A437 PolarHBondContact O-N 3.12Å; E433-L885 HydrophobicContact CG-CD2 3.49Å; E433-L885 VanDerWaalsContact CG-CD2 3.49Å; E433-R888 WeakPolarHBondContact OE1-CD 3.23Å; E433-R888 IonicContact OE1-CZ 2.8Å; E433-R888 IonicContact OE1-NE 3.79Å; E433-R888 IonicContact OE1-NH1 3.64Å; E433-R888 PolarHBondContact OE1-NH1 3.25Å; E433-R888 IonicContact OE2-NH1 3.8Å; E433-W889 HydrophobicContact CB-CZ2 4.09Å; E433-W889 VanDerWaalsContact CG-NE1 3.35Å; E433-W889 PolarHBondContact OE1-NE1 3.3Å |
| 434 | E | 89.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 19.6 Ų | 19.6 | 5% | 0.051 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -48 | 176.7 | -174.4 | 168.8 | -133.5 | 0 | 0 | 112 | L430 I431 L432 L436 A437 H438 F852 K853 V854 A855 W889 | L430-E434 WeakPolarHBondContact O-CB 3.41Å; L430-E434 PolarHBondContact O-N 3.02Å; I431-E434 PolarHBondContact O-N 3.41Å; L432-E434 PolarHBondContact O-N 2.98Å; E434-L436 VanDerWaalsContact C-N 3.29Å; E434-L436 PolarHBondContact O-N 3.48Å; E434-A437 PolarHBondContact O-N 2.88Å; E434-H438 PolarHBondContact O-N 3.35Å; E434-F852 HydrophobicContact CG-CD1 3.92Å; E434-F852 WeakPolarHBondContact OE1-CA 3.3Å; E434-K853 WeakPolarHBondContact OE1-CB 3.46Å; E434-K853 PolarHBondContact OE1-N 3.37Å; E434-K853 PolarHBondContact OE2-N 3.29Å; E434-V854 WeakPolarHBondContact OE2-CA 3.48Å; E434-V854 PolarHBondContact OE2-N 3.09Å; E434-A855 WeakPolarHBondContact OE2-CB 3.37Å; E434-A855 PolarHBondContact OE2-N 3.09Å; E434-W889 HydrophobicContact CB-CD2 3.86Å; E434-W889 HydrophobicContact CB-CE3 3.55Å; E434-W889 HydrophobicContact CB-CH2 3.94Å; E434-W889 HydrophobicContact CB-CZ2 4.22Å; E434-W889 HydrophobicContact CB-CZ3 3.6Å; E434-W889 HydrophobicContact CG-CD2 4.11Å; E434-W889 HydrophobicContact CG-CE3 3.48Å; E434-W889 VanDerWaalsContact CG-CE3 3.48Å; E434-W889 HydrophobicContact CG-CZ3 3.78Å |
| 435 | L | 87.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 176.8 | -68.8 | 177.1 | 0 | 0 | 0 | 111.4 | I431 L432 N439 F852 A855 L857 V867 | I431-L435 HydrophobicContact CG2-CD1 3.77Å; I431-L435 HydrophobicContact CG2-CG 4.25Å; I431-L435 WeakPolarHBondContact O-CB 3.49Å; I431-L435 VanDerWaalsContact O-CG 3.23Å; I431-L435 WeakPolarHBondContact O-CG 3.4Å; I431-L435 PolarHBondContact O-N 2.95Å; L432-L435 PolarHBondContact O-N 2.93Å; L435-N439 WeakPolarHBondContact O-CB 3.34Å; L435-N439 PolarHBondContact O-N 2.87Å; L435-N439 PolarHBondContact O-ND2 3.49Å; L435-F852 HydrophobicContact CD2-CD1 4.31Å; L435-F852 HydrophobicContact CD2-CE1 3.84Å; L435-F852 HydrophobicContact CD2-CZ 4.42Å; L435-A855 HydrophobicContact CD1-CB 4.44Å; L435-A855 HydrophobicContact CD2-CB 3.79Å; L435-A855 HydrophobicContact CG-CB 3.86Å; L435-L857 HydrophobicContact CD2-CD2 3.88Å; L435-V867 HydrophobicContact CB-CB 4.46Å; L435-V867 HydrophobicContact CB-CG1 3.85Å; L435-V867 HydrophobicContact CB-CG2 3.89Å; L435-V867 HydrophobicContact CD1-CG2 4.24Å; L435-V867 WeakPolarHBondContact O-CG1 3.46Å |
| 436 | L | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -50.5 | 173.2 | -79.6 | 171.2 | 0 | 0 | 0 | 111.1 | L389 L432 E433 E434 H438 N439 L440 V867 L870 A871 I874 | L389-L436 HydrophobicContact CD2-CD1 3.72Å; L432-L436 HydrophobicContact CD2-CD1 4.31Å; L432-L436 HydrophobicContact CG-CD1 3.9Å; L432-L436 HydrophobicContact CG-CG 4.4Å; L432-L436 VanDerWaalsContact O-CB 3.27Å; L432-L436 WeakPolarHBondContact O-CB 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.27Å; L432-L436 PolarHBondContact O-N 3.36Å; E433-L436 WeakPolarHBondContact O-CB 3.29Å; E433-L436 PolarHBondContact O-N 2.8Å; E434-L436 VanDerWaalsContact C-N 3.29Å; E434-L436 PolarHBondContact O-N 3.48Å; L436-H438 VanDerWaalsContact C-N 3.29Å; L436-H438 PolarHBondContact O-N 3.42Å; L436-N439 PolarHBondContact O-N 2.78Å; L436-L440 WeakPolarHBondContact O-CB 3.43Å; L436-L440 WeakPolarHBondContact O-CD1 3.37Å; L436-L440 WeakPolarHBondContact O-CG 3.31Å; L436-L440 PolarHBondContact O-N 3.46Å; L436-V867 HydrophobicContact CD2-CG1 3.99Å; L436-V867 WeakPolarHBondContact CD2-O 3.41Å; L436-V867 HydrophobicContact CG-CG1 4.2Å; L436-L870 HydrophobicContact CD2-CB 3.63Å; L436-A871 HydrophobicContact CD2-CB 4.1Å; L436-I874 HydrophobicContact CD1-CD1 4.27Å; L436-I874 HydrophobicContact CD2-CD1 4.23Å |
| 437 | A | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E433 E434 L440 S441 L885 W889 | E433-A437 WeakPolarHBondContact O-CB 3.33Å; E433-A437 PolarHBondContact O-N 3.12Å; E434-A437 PolarHBondContact O-N 2.88Å; A437-L440 PolarHBondContact O-N 3.11Å; A437-S441 WeakPolarHBondContact O-CB 3.41Å; A437-S441 PolarHBondContact O-N 2.95Å; A437-L885 HydrophobicContact CB-CB 4.43Å; A437-L885 WeakPolarHBondContact CB-O 3.35Å; A437-W889 HydrophobicContact CB-CB 3.61Å; A437-W889 HydrophobicContact CB-CG 3.86Å |
| 438 | H | 81.8 | Confident | 82.5 | Confident | 22 Ų | 22 | 22.3 Ų | 22.3 | 10% | 0.102 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -50.2 | 175 | -166.7 | 82.9 | 0 | 0 | 0 | 111.6 | E434 L436 L440 S441 M442 T644 F852 M890 | E434-H438 PolarHBondContact O-N 3.35Å; L436-H438 VanDerWaalsContact C-N 3.29Å; L436-H438 PolarHBondContact O-N 3.42Å; H438-L440 VanDerWaalsContact C-N 3.32Å; H438-L440 PolarHBondContact O-N 3.39Å; H438-S441 WeakPolarHBondContact O-CB 3.49Å; H438-S441 PolarHBondContact O-N 3.5Å; H438-M442 WeakPolarHBondContact O-CG 3.4Å; H438-M442 PolarHBondContact O-N 3.04Å; H438-T644 PolarHBondContact CD2-O 2.86Å; H438-T644 PolarHBondContact NE2-O 3.49Å; H438-F852 HydrophobicContact CB-CE1 4.06Å; H438-F852 HydrophobicContact CB-CZ 4.45Å; H438-F852 AromaticContact CG-CZ 3.95Å; H438-M890 HydrophobicContact CB-SD 4.23Å; H438-M890 WeakPolarHBondContact ND1-CE 3.5Å |
| 439 | N | 81.1 | Confident | 81.3 | Confident | 11 Ų | 11 | 17.9 Ų | 17.9 | 6% | 0.059 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 178 | -83.9 | -98.7 | 0 | 0 | 0 | 112.8 | L435 L436 M442 L443 V867 Q868 A871 | L435-N439 WeakPolarHBondContact O-CB 3.34Å; L435-N439 PolarHBondContact O-N 2.87Å; L435-N439 PolarHBondContact O-ND2 3.49Å; L436-N439 PolarHBondContact O-N 2.78Å; N439-M442 PolarHBondContact O-N 3.24Å; N439-L443 WeakPolarHBondContact O-CG 3.4Å; N439-L443 PolarHBondContact O-N 2.93Å; N439-V867 HydrophobicContact CB-CG1 4.26Å; N439-V867 WeakPolarHBondContact ND2-CG1 3.29Å; N439-Q868 WeakPolarHBondContact OD1-CG 3.45Å; N439-A871 HydrophobicContact CB-CB 3.65Å |
| 440 | L | 85.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.5 | -73.7 | 166.6 | 0 | 0 | 0 | 111.7 | L436 A437 H438 M442 L443 A444 A871 I874 H875 A882 L885 I886 | L436-L440 WeakPolarHBondContact O-CB 3.43Å; L436-L440 WeakPolarHBondContact O-CD1 3.37Å; L436-L440 WeakPolarHBondContact O-CG 3.31Å; L436-L440 PolarHBondContact O-N 3.46Å; A437-L440 PolarHBondContact O-N 3.11Å; H438-L440 VanDerWaalsContact C-N 3.32Å; H438-L440 PolarHBondContact O-N 3.39Å; L440-M442 VanDerWaalsContact C-N 3.31Å; L440-M442 PolarHBondContact O-N 3.14Å; L440-L443 PolarHBondContact O-N 3.28Å; L440-A444 WeakPolarHBondContact O-CB 3.27Å; L440-A444 PolarHBondContact O-N 3.47Å; L440-A871 HydrophobicContact CD2-CB 4.18Å; L440-A871 WeakPolarHBondContact CD2-O 3.35Å; L440-A871 HydrophobicContact CG-CB 4.17Å; L440-I874 HydrophobicContact CD1-CG2 4.01Å; L440-I874 HydrophobicContact CD2-CB 4.1Å; L440-I874 HydrophobicContact CD2-CG2 4.01Å; L440-H875 HydrophobicContact CD2-CB 3.92Å; L440-A882 HydrophobicContact CD1-CB 4.3Å; L440-A882 HydrophobicContact CD2-CB 3.95Å; L440-L885 HydrophobicContact CD1-CB 4.13Å; L440-L885 HydrophobicContact CD1-CD1 3.71Å; L440-I886 HydrophobicContact CB-CD1 4.04Å; L440-I886 HydrophobicContact CB-CG1 3.97Å |
| 441 | S | 79.2 | Confident | 79.1 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 173 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | A437 H438 L443 A444 L445 | A437-S441 WeakPolarHBondContact O-CB 3.41Å; A437-S441 PolarHBondContact O-N 2.95Å; H438-S441 WeakPolarHBondContact O-CB 3.49Å; H438-S441 PolarHBondContact O-N 3.5Å; S441-L443 PolarHBondContact O-N 2.99Å; S441-A444 WeakPolarHBondContact O-CB 3.49Å; S441-A444 PolarHBondContact O-N 3.44Å; S441-A444 VanDerWaalsContact O-N 3.14Å; S441-L445 WeakPolarHBondContact O-CG 3.27Å; S441-L445 PolarHBondContact O-N 3.11Å |
| 442 | M | 73.2 | Confident | 78.4 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | 178.4 | -58.8 | -58.9 | -66.4 | 0 | 0 | 112.8 | H438 N439 L440 L445 R446 A647 D648 | H438-M442 WeakPolarHBondContact O-CG 3.4Å; H438-M442 PolarHBondContact O-N 3.04Å; N439-M442 PolarHBondContact O-N 3.24Å; L440-M442 VanDerWaalsContact C-N 3.31Å; L440-M442 PolarHBondContact O-N 3.14Å; M442-L445 PolarHBondContact O-N 2.87Å; M442-L445 HydrophobicContact SD-CD1 3.97Å; M442-R446 WeakPolarHBondContact O-CG 3.34Å; M442-R446 PolarHBondContact O-N 3.35Å; M442-A647 HydrophobicContact CB-CB 3.81Å; M442-A647 HydrophobicContact CE-CB 3.9Å; M442-A647 HydrophobicContact CG-CB 3.79Å; M442-D648 HydrophobicContact CE-CB 3.48Å; M442-D648 VanDerWaalsContact CE-CB 3.48Å; M442-D648 WeakPolarHBondContact CE-OD1 3.26Å |
| 443 | L | 77 | Confident | 78 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 18% | 0.183 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 171.9 | -73.7 | 173.2 | 0 | 0 | 0 | 111.9 | N439 L440 S441 R446 A447 A871 R872 H875 | N439-L443 WeakPolarHBondContact O-CG 3.4Å; N439-L443 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 3.28Å; S441-L443 PolarHBondContact O-N 2.99Å; L443-R446 PolarHBondContact O-N 3.04Å; L443-A447 WeakPolarHBondContact O-CB 3.46Å; L443-A447 PolarHBondContact O-N 3.29Å; L443-A871 HydrophobicContact CD1-CB 3.99Å; L443-R872 HydrophobicContact CD1-CG 3.98Å; L443-R872 HydrophobicContact CD2-CG 4.33Å; L443-H875 HydrophobicContact CD1-CB 4.04Å |
| 444 | A | 76.1 | Confident | 77.8 | Confident | 47 Ų | 47 | 42.1 Ų | 42.1 | 39% | 0.388 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L440 S441 A447 G448 I886 | L440-A444 WeakPolarHBondContact O-CB 3.27Å; L440-A444 PolarHBondContact O-N 3.47Å; S441-A444 WeakPolarHBondContact O-CB 3.49Å; S441-A444 PolarHBondContact O-N 3.44Å; S441-A444 VanDerWaalsContact O-N 3.14Å; A444-A447 PolarHBondContact O-N 2.96Å; A444-G448 PolarHBondContact O-N 3.5Å; A444-I886 HydrophobicContact CB-CD1 4.42Å |
| 445 | L | 67.8 | Low | 77.6 | Confident | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.293 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 172.1 | -67.1 | 178.5 | 0 | 0 | 0 | 111.6 | S441 M442 G448 A449 S897 | S441-L445 WeakPolarHBondContact O-CG 3.27Å; S441-L445 PolarHBondContact O-N 3.11Å; M442-L445 PolarHBondContact O-N 2.87Å; M442-L445 HydrophobicContact SD-CD1 3.97Å; L445-G448 CarbonylContact O-C 3.37Å; L445-G448 WeakPolarHBondContact O-CA 3.35Å; L445-G448 PolarHBondContact O-N 3.45Å; L445-A449 PolarHBondContact O-N 2.79Å; L445-S897 VanDerWaalsContact CD2-CA 3.4Å |
| 446 | R | 67 | Low | 77.8 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.7 | -78.1 | 177.8 | 165.8 | -162.6 | -0.2 | 112.6 | M442 L443 G448 A449 Q450 A647 D648 L649 D650 | M442-R446 WeakPolarHBondContact O-CG 3.34Å; M442-R446 PolarHBondContact O-N 3.35Å; L443-R446 PolarHBondContact O-N 3.04Å; R446-G448 PolarHBondContact O-N 2.76Å; R446-A449 WeakPolarHBondContact O-CA 3.49Å; R446-A449 WeakPolarHBondContact O-CB 3.17Å; R446-A449 PolarHBondContact O-N 3.02Å; R446-A449 VanDerWaalsContact O-N 3.08Å; R446-Q450 WeakPolarHBondContact O-CG 3.23Å; R446-Q450 PolarHBondContact O-N 3.08Å; R446-A647 PolarHBondContact NE-O 3.19Å; R446-A647 PolarHBondContact NH2-O 3.26Å; R446-D648 PolarHBondContact NE-O 3.4Å; R446-D648 VanDerWaalsContact NE-O 3.12Å; R446-L649 VanDerWaalsContact NH2-C 3.34Å; R446-L649 PolarHBondContact NH2-O 3.17Å; R446-L649 VanDerWaalsContact NH2-O 3.08Å; R446-D650 IonicContact CZ-OD1 2.93Å; R446-D650 IonicContact NH1-OD1 3.92Å; R446-D650 IonicContact NH2-OD1 3.56Å; R446-D650 PolarHBondContact NH2-OD1 3.34Å |
| 447 | A | 72 | Confident | 78 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -34 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L443 A444 | L443-A447 WeakPolarHBondContact O-CB 3.46Å; L443-A447 PolarHBondContact O-N 3.29Å; A444-A447 PolarHBondContact O-N 2.96Å |
| 448 | G | 70.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | A444 L445 R446 Q450 R451 F452 | A444-G448 PolarHBondContact O-N 3.5Å; L445-G448 CarbonylContact O-C 3.37Å; L445-G448 WeakPolarHBondContact O-CA 3.35Å; L445-G448 PolarHBondContact O-N 3.45Å; R446-G448 PolarHBondContact O-N 2.76Å; G448-Q450 VanDerWaalsContact C-N 3.29Å; G448-Q450 PolarHBondContact O-N 3.5Å; G448-R451 VanDerWaalsContact O-CB 3.27Å; G448-R451 WeakPolarHBondContact O-CB 3.5Å; G448-R451 PolarHBondContact O-N 2.75Å; G448-F452 WeakPolarHBondContact O-CE2 2.9Å |
| 449 | A | 64.8 | Low | 78.6 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L445 R446 R451 F452 | L445-A449 PolarHBondContact O-N 2.79Å; R446-A449 WeakPolarHBondContact O-CA 3.49Å; R446-A449 WeakPolarHBondContact O-CB 3.17Å; R446-A449 PolarHBondContact O-N 3.02Å; R446-A449 VanDerWaalsContact O-N 3.08Å; A449-R451 PolarHBondContact O-N 2.68Å; A449-F452 WeakPolarHBondContact O-CB 3.42Å; A449-F452 WeakPolarHBondContact O-CD2 3.25Å; A449-F452 PolarHBondContact O-N 3.39Å |
| 450 | Q | 67 | Low | 79 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.6 | 175.6 | -72.4 | 174.4 | -2.5 | 0 | 0 | 113.8 | R446 G448 F452 V494 | R446-Q450 WeakPolarHBondContact O-CG 3.23Å; R446-Q450 PolarHBondContact O-N 3.08Å; G448-Q450 VanDerWaalsContact C-N 3.29Å; G448-Q450 PolarHBondContact O-N 3.5Å; Q450-F452 VanDerWaalsContact C-N 3.27Å; Q450-V494 HydrophobicContact CB-CG1 4.33Å; Q450-V494 HydrophobicContact CG-CG1 4.35Å |
| 451 | R | 70.2 | Confident | 79.2 | Confident | 217 Ų | 217 | 58.2 Ų | 58.2 | 82% | 0.819 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -20.5 | 171.2 | -62 | 176.3 | 179 | 172.8 | -0.7 | 112.1 | G448 A449 | G448-R451 VanDerWaalsContact O-CB 3.27Å; G448-R451 WeakPolarHBondContact O-CB 3.5Å; G448-R451 PolarHBondContact O-N 2.75Å; A449-R451 PolarHBondContact O-N 2.68Å |
| 452 | F | 75.2 | Confident | 79.8 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 31% | 0.311 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -80.5 | 139.3 | 175.4 | -59.5 | -68.1 | 0 | 0 | 0 | 109.8 | G448 A449 Q450 P495 W617 H626 | G448-F452 WeakPolarHBondContact O-CE2 2.9Å; A449-F452 WeakPolarHBondContact O-CB 3.42Å; A449-F452 WeakPolarHBondContact O-CD2 3.25Å; A449-F452 PolarHBondContact O-N 3.39Å; Q450-F452 VanDerWaalsContact C-N 3.27Å; F452-P495 HydrophobicContact CB-CG 3.99Å; F452-P495 WeakPolarHBondContact O-CD 3.39Å; F452-W617 HydrophobicContact CB-CZ2 4.46Å; F452-W617 AromaticContact CD2-CH2 3.43Å; F452-W617 HydrophobicContact CD2-CH2 3.43Å; F452-W617 VanDerWaalsContact CD2-CH2 3.43Å; F452-W617 AromaticContact CD2-CZ2 3.46Å; F452-W617 HydrophobicContact CD2-CZ2 3.46Å; F452-W617 VanDerWaalsContact CD2-CZ2 3.46Å; F452-W617 AromaticContact CE2-CH2 3.25Å; F452-W617 HydrophobicContact CE2-CH2 3.25Å; F452-W617 AromaticContact CE2-CZ2 3.83Å; F452-W617 HydrophobicContact CE2-CZ2 3.83Å; F452-W617 HydrophobicContact CE2-CZ3 4.18Å; F452-W617 HydrophobicContact CG-CH2 4.2Å; F452-W617 AromaticContact CG-CZ2 3.96Å; F452-W617 HydrophobicContact CG-CZ2 3.96Å; F452-W617 AromaticContact CZ-CH2 3.84Å; F452-W617 HydrophobicContact CZ-CH2 3.84Å; F452-W617 HydrophobicContact CZ-CZ3 4.39Å; F452-H626 HydrophobicContact CB-CB 4.4Å; F452-H626 AromaticContact CD1-CD2 3.7Å; F452-H626 AromaticContact CD1-CE1 3.66Å; F452-H626 AromaticContact CD1-NE2 3.21Å; F452-H626 WeakPolarHBondContact CD1-NE2 3.4Å; F452-H626 AromaticContact CE1-NE2 3.96Å; F452-H626 AromaticContact CG-CD2 3.91Å; F452-H626 AromaticContact CG-NE2 3.88Å |
| 453 | H | 83.7 | Confident | 80.8 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 49% | 0.486 | 34% | 0.343 | S | S | . | . | trans | -92.9 | 126.4 | 178.4 | 178.1 | -89.7 | 0 | 0 | 0 | 109.7 | F625 H626 | H453-F625 CarbonylContact O-C 3.56Å; H453-F625 VanDerWaalsContact O-CA 3.3Å; H453-F625 WeakPolarHBondContact O-CA 3.29Å; H453-H626 PolarHBondContact O-N 2.75Å | ||
| 454 | A | 85.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -105.7 | 156 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110 | P456 D493 P495 H626 | A454-P456 VanDerWaalsContact O-CD 3.28Å; A454-P456 WeakPolarHBondContact O-CD 3.26Å; A454-D493 PolarHBondContact N-O 3.34Å; A454-P495 HydrophobicContact CB-CB 4.33Å; A454-P495 HydrophobicContact CB-CG 3.96Å; A454-H626 WeakPolarHBondContact CB-O 2.97Å | ||
| 455 | Q | 87 | Confident | 82.3 | Confident | 51 Ų | 51 | 64 Ų | 64 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | trans | -77.2 | 117.7 | 174.7 | 178.9 | 172.9 | -5.6 | 0 | 0 | 109.8 | L457 F625 H628 | Q455-L457 PolarHBondContact O-N 3.06Å; Q455-F625 HydrophobicContact CB-CD2 4.18Å; Q455-F625 HydrophobicContact CB-CG 4.3Å; Q455-H628 PolarHBondContact O-NE2 3Å | ||
| 456 | P | 92.2 | Very high | 83.5 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -66.1 | 125.6 | 178.3 | 26.5 | -33.9 | 0 | 0 | 0 | 110.9 | A454 A491 L492 | A454-P456 VanDerWaalsContact O-CD 3.28Å; A454-P456 WeakPolarHBondContact O-CD 3.26Å; P456-A491 WeakPolarHBondContact CB-O 3.41Å; P456-L492 WeakPolarHBondContact CA-O 3.47Å | ||
| 457 | L | 92.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | trans | -103.3 | 88.6 | 178.8 | -55.4 | 175.9 | 0 | 0 | 0 | 109.6 | Q455 L490 R518 A519 H522 A598 | Q455-L457 PolarHBondContact O-N 3.06Å; L457-L490 WeakPolarHBondContact CA-O 3.13Å; L457-L490 HydrophobicContact CB-CB 4.3Å; L457-L490 WeakPolarHBondContact CB-O 3.45Å; L457-L490 HydrophobicContact CD1-CB 4.44Å; L457-L490 HydrophobicContact CD1-CD2 4.27Å; L457-L490 PolarHBondContact N-O 3.25Å; L457-R518 HydrophobicContact CB-CG 3.97Å; L457-R518 HydrophobicContact CD1-CG 4.46Å; L457-A519 HydrophobicContact CD1-CB 3.82Å; L457-H522 HydrophobicContact CD2-CB 3.79Å; L457-A598 HydrophobicContact CD1-CB 4.49Å | ||
| 458 | S | 91.4 | Very high | 85.7 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | trans | -62.5 | 179.8 | -175.6 | 70.6 | 0 | 0 | 0 | 0 | 114.8 | N460 R518 H522 | S458-N460 PolarHBondContact O-N 2.9Å; S458-R518 WeakPolarHBondContact O-CD 3.35Å; S458-R518 PolarHBondContact O-NH1 3.09Å; S458-H522 PolarHBondContact N-NE2 3.37Å; S458-H522 PolarHBondContact O-CE1 3.01Å; S458-H522 PolarHBondContact OG-NE2 2.98Å; S458-H522 VanDerWaalsContact OG-NE2 3.14Å | ||
| 459 | A | 90.8 | Very high | 86.8 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 77% | 0.769 | 37% | 0.37 | S | S | * | . | trans | -65.9 | 95.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 460 | N | 90.7 | Very high | 88 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | trans | -127 | 99.9 | 166 | -172.3 | -18.5 | 0 | 0 | 0 | 111.3 | S458 T462 R518 A521 | S458-N460 PolarHBondContact O-N 2.9Å; N460-T462 PolarHBondContact OD1-N 2.99Å; N460-T462 PolarHBondContact OD1-OG1 3.03Å; N460-R518 PolarHBondContact O-NH1 3.08Å; N460-A521 HydrophobicContact CB-CB 4.16Å; N460-A521 PolarHBondContact ND2-O 2.91Å | ||
| 461 | D | 90 | Very high | 88.9 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | trans | -99.2 | 5.4 | -172.8 | -70.8 | 17.7 | 0 | 0 | 0 | 113 | L463 K464 N465 R518 | D461-L463 PolarHBondContact O-N 3.05Å; D461-K464 VanDerWaalsContact CG-NZ 3.31Å; D461-K464 PolarHBondContact O-N 3.16Å; D461-K464 IonicContact OD1-NZ 3.96Å; D461-K464 WeakPolarHBondContact OD2-CE 3.35Å; D461-K464 IonicContact OD2-NZ 2.7Å; D461-K464 PolarHBondContact OD2-NZ 2.86Å; D461-N465 WeakPolarHBondContact O-CB 3.49Å; D461-N465 PolarHBondContact O-N 3.03Å; D461-N465 PolarHBondContact O-ND2 3.42Å; D461-R518 IonicContact OD1-CZ 3.2Å; D461-R518 IonicContact OD1-NH1 2.91Å; D461-R518 PolarHBondContact OD1-NH1 3.47Å; D461-R518 IonicContact OD1-NH2 2.64Å; D461-R518 PolarHBondContact OD1-NH2 3.07Å | ||
| 462 | T | 92.1 | Very high | 89.6 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | -172 | -55 | 0 | 0 | 0 | 0 | 112.5 | N460 K466 | N460-T462 PolarHBondContact OD1-N 2.99Å; N460-T462 PolarHBondContact OD1-OG1 3.03Å; T462-K466 WeakPolarHBondContact O-CG 2.99Å; T462-K466 PolarHBondContact O-N 2.84Å |
| 463 | L | 92.7 | Very high | 90 | Very high | 30 Ų | 30 | 62.2 Ų | 62.2 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.8 | -39.4 | 178.4 | -66.1 | 177.2 | 0 | 0 | 0 | 111.7 | D461 N465 K466 L467 L517 I520 A521 L550 I552 | D461-L463 PolarHBondContact O-N 3.05Å; L463-N465 PolarHBondContact O-N 3.26Å; L463-K466 PolarHBondContact O-N 3.43Å; L463-L467 PolarHBondContact O-N 3.13Å; L463-L517 HydrophobicContact CB-CB 4.23Å; L463-L517 HydrophobicContact CB-CD1 4.33Å; L463-L517 HydrophobicContact CB-CD2 4.09Å; L463-L517 HydrophobicContact CB-CG 4.45Å; L463-L517 HydrophobicContact CD1-CD2 4.33Å; L463-I520 HydrophobicContact CD1-CG2 4.19Å; L463-A521 HydrophobicContact CD1-CB 3.96Å; L463-A521 HydrophobicContact CG-CB 4.48Å; L463-L550 HydrophobicContact CD2-CB 4.48Å; L463-I552 HydrophobicContact CD1-CD1 4.02Å; L463-I552 HydrophobicContact CD2-CD1 4.43Å |
| 464 | K | 92.9 | Very high | 90.2 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.7 | -51.8 | 176.5 | 179 | 175.2 | 66.9 | 177.7 | 0 | 111.2 | D461 K466 L467 L468 E487 L514 | D461-K464 VanDerWaalsContact CG-NZ 3.31Å; D461-K464 PolarHBondContact O-N 3.16Å; D461-K464 IonicContact OD1-NZ 3.96Å; D461-K464 WeakPolarHBondContact OD2-CE 3.35Å; D461-K464 IonicContact OD2-NZ 2.7Å; D461-K464 PolarHBondContact OD2-NZ 2.86Å; K464-K466 VanDerWaalsContact C-N 3.33Å; K464-K466 PolarHBondContact O-N 3.32Å; K464-L467 PolarHBondContact O-N 2.95Å; K464-L468 HydrophobicContact CG-CD1 3.93Å; K464-L468 HydrophobicContact CG-CG 4.42Å; K464-L468 WeakPolarHBondContact O-CG 3.44Å; K464-L468 PolarHBondContact O-N 2.76Å; K464-E487 WeakPolarHBondContact CD-OE1 3.21Å; K464-E487 WeakPolarHBondContact CE-OE1 3.33Å; K464-E487 VanDerWaalsContact NZ-CD 3.35Å; K464-E487 IonicContact NZ-OE1 2.73Å; K464-E487 PolarHBondContact NZ-OE1 3.47Å; K464-E487 IonicContact NZ-OE2 3.16Å; K464-E487 PolarHBondContact NZ-OE2 2.81Å; K464-L514 HydrophobicContact CG-CD2 3.89Å |
| 465 | N | 93.3 | Very high | 90.4 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | -177.8 | -68.8 | -17.2 | 0 | 0 | 0 | 112 | D461 L463 A469 | D461-N465 WeakPolarHBondContact O-CB 3.49Å; D461-N465 PolarHBondContact O-N 3.03Å; D461-N465 PolarHBondContact O-ND2 3.42Å; L463-N465 PolarHBondContact O-N 3.26Å; N465-A469 WeakPolarHBondContact O-CB 3.5Å; N465-A469 PolarHBondContact O-N 3.11Å |
| 466 | K | 93.2 | Very high | 90.6 | Very high | 122 Ų | 122 | 66.7 Ų | 66.7 | 53% | 0.53 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 173.4 | -73.4 | 178.3 | 179.5 | -176.6 | 0 | 112.1 | T462 L463 K464 A469 A470 L550 | T462-K466 WeakPolarHBondContact O-CG 2.99Å; T462-K466 PolarHBondContact O-N 2.84Å; L463-K466 PolarHBondContact O-N 3.43Å; K464-K466 VanDerWaalsContact C-N 3.33Å; K464-K466 PolarHBondContact O-N 3.32Å; K466-A469 PolarHBondContact O-N 2.9Å; K466-A470 PolarHBondContact O-N 3.35Å; K466-L550 HydrophobicContact CB-CD2 3.51Å; K466-L550 HydrophobicContact CD-CD2 4.23Å |
| 467 | L | 92.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 176.7 | 179.7 | 59.6 | 0 | 0 | 0 | 110.8 | L463 K464 A469 A470 L471 A513 L514 L517 W546 F547 L550 | L463-L467 PolarHBondContact O-N 3.13Å; K464-L467 PolarHBondContact O-N 2.95Å; L467-A469 PolarHBondContact O-N 3.36Å; L467-A470 PolarHBondContact O-N 2.94Å; L467-L471 HydrophobicContact CD1-CD2 4.29Å; L467-L471 HydrophobicContact CD1-CG 4.4Å; L467-L471 HydrophobicContact CG-CD1 4.42Å; L467-L471 HydrophobicContact CG-CG 4.46Å; L467-L471 WeakPolarHBondContact O-CG 3.29Å; L467-L471 PolarHBondContact O-N 3.49Å; L467-A513 HydrophobicContact CD2-CB 4.47Å; L467-L514 HydrophobicContact CD2-CD2 4.17Å; L467-L517 HydrophobicContact CB-CD1 3.78Å; L467-L517 HydrophobicContact CD2-CD1 3.59Å; L467-L517 HydrophobicContact CG-CD1 4.31Å; L467-W546 HydrophobicContact CD1-CB 3.74Å; L467-W546 HydrophobicContact CD1-CG 4.08Å; L467-F547 HydrophobicContact CD2-CE1 4.34Å; L467-L550 HydrophobicContact CB-CD1 4.17Å |
| 468 | L | 92.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 66 Ų | 66 | 29% | 0.293 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58 | -36.1 | -179 | -70.6 | 175.9 | 0 | 0 | 0 | 112.5 | K464 A470 L471 P475 L514 | K464-L468 HydrophobicContact CG-CD1 3.93Å; K464-L468 HydrophobicContact CG-CG 4.42Å; K464-L468 WeakPolarHBondContact O-CG 3.44Å; K464-L468 PolarHBondContact O-N 2.76Å; L468-A470 VanDerWaalsContact C-N 3.33Å; L468-L471 HydrophobicContact CD2-CD1 4.23Å; L468-P475 HydrophobicContact CD2-CG 3.58Å; L468-L514 HydrophobicContact CD2-CD1 4.34Å; L468-L514 HydrophobicContact CD2-CD2 3.92Å; L468-L514 HydrophobicContact CG-CD2 4.07Å |
| 469 | A | 91.7 | Very high | 90.7 | Very high | 90 Ų | 90 | 63 Ų | 63 | 74% | 0.744 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.9 | -25.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N465 K466 L467 | N465-A469 WeakPolarHBondContact O-CB 3.5Å; N465-A469 PolarHBondContact O-N 3.11Å; K466-A469 PolarHBondContact O-N 2.9Å; L467-A469 PolarHBondContact O-N 3.36Å |
| 470 | A | 90.1 | Very high | 90.8 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -87.7 | -14.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K466 L467 L468 | K466-A470 PolarHBondContact O-N 3.35Å; L467-A470 PolarHBondContact O-N 2.94Å; L468-A470 VanDerWaalsContact C-N 3.33Å |
| 471 | L | 86.9 | Confident | 91 | Very high | 20 Ų | 20 | 63.4 Ų | 63.4 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | trans | -74 | 139.2 | -177.7 | -69.5 | 171.5 | 0 | 0 | 0 | 111.6 | L467 L468 F473 L510 | L467-L471 HydrophobicContact CD1-CD2 4.29Å; L467-L471 HydrophobicContact CD1-CG 4.4Å; L467-L471 HydrophobicContact CG-CD1 4.42Å; L467-L471 HydrophobicContact CG-CG 4.46Å; L467-L471 WeakPolarHBondContact O-CG 3.29Å; L467-L471 PolarHBondContact O-N 3.49Å; L468-L471 HydrophobicContact CD2-CD1 4.23Å; L471-F473 HydrophobicContact CB-CE2 4.37Å; L471-F473 HydrophobicContact CB-CZ 4.5Å; L471-F473 HydrophobicContact CD1-CE2 3.99Å; L471-F473 HydrophobicContact CD1-CZ 4.35Å; L471-F473 HydrophobicContact CD2-CE1 4.37Å; L471-F473 HydrophobicContact CD2-CE2 4.32Å; L471-F473 HydrophobicContact CD2-CZ 3.85Å; L471-F473 HydrophobicContact CG-CE2 4.46Å; L471-F473 HydrophobicContact CG-CZ 4.46Å; L471-F473 PolarHBondContact O-N 3.39Å; L471-F473 VanDerWaalsContact O-N 3.16Å; L471-L510 HydrophobicContact CD1-CD1 3.6Å | ||
| 472 | P | 83.7 | Confident | 91.2 | Very high | 125 Ų | 125 | 60.7 Ų | 60.7 | 81% | 0.812 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -76.7 | 5.8 | 177.1 | 31.4 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 473 | F | 85.1 | Confident | 91.4 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 43% | 0.434 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -143.9 | 161.1 | -178.3 | 53.2 | -101.2 | 0 | 0 | 0 | 110.3 | L471 L510 | L471-F473 HydrophobicContact CB-CE2 4.37Å; L471-F473 HydrophobicContact CB-CZ 4.5Å; L471-F473 HydrophobicContact CD1-CE2 3.99Å; L471-F473 HydrophobicContact CD1-CZ 4.35Å; L471-F473 HydrophobicContact CD2-CE1 4.37Å; L471-F473 HydrophobicContact CD2-CE2 4.32Å; L471-F473 HydrophobicContact CD2-CZ 3.85Å; L471-F473 HydrophobicContact CG-CE2 4.46Å; L471-F473 HydrophobicContact CG-CZ 4.46Å; L471-F473 PolarHBondContact O-N 3.39Å; L471-F473 VanDerWaalsContact O-N 3.16Å; F473-L510 HydrophobicContact CE2-CD2 3.96Å |
| 474 | K | 87.3 | Confident | 91.5 | Very high | 188 Ų | 188 | 57.9 Ų | 57.9 | 82% | 0.817 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 140.6 | 174.3 | -67.3 | -174.9 | 178.7 | -178.6 | 0 | 110.6 | ||
| 475 | P | 90.2 | Very high | 91.6 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 150.8 | 171.4 | -19.8 | 30.3 | 0 | 0 | 0 | 112 | L468 Q479 L510 | L468-P475 HydrophobicContact CD2-CG 3.58Å; P475-Q479 HydrophobicContact CB-CB 4.22Å; P475-L510 HydrophobicContact CB-CD2 4.24Å; P475-L510 HydrophobicContact CG-CD2 4.19Å |
| 476 | T | 91.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 164.7 | 173.4 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | A478 Q479 A480 E656 | T476-A478 VanDerWaalsContact C-N 3.28Å; T476-A478 PolarHBondContact O-N 2.79Å; T476-Q479 PolarHBondContact O-N 2.82Å; T476-Q479 WeakPolarHBondContact OG1-CG 3.48Å; T476-Q479 PolarHBondContact OG1-N 3.26Å; T476-A480 PolarHBondContact O-N 2.82Å; T476-E656 VanDerWaalsContact CB-OE2 3.27Å; T476-E656 WeakPolarHBondContact CB-OE2 3.49Å; T476-E656 HydrophobicContact CG2-CB 4.43Å |
| 477 | G | 92.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A480 R481 E656 | G477-A480 PolarHBondContact O-N 2.96Å; G477-R481 WeakPolarHBondContact O-CB 3.39Å; G477-R481 PolarHBondContact O-N 3.04Å; G477-E656 WeakPolarHBondContact CA-OE2 3.18Å; G477-E656 PolarHBondContact N-OE2 3.26Å |
| 478 | A | 91.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T476 A480 R481 V482 I654 D655 E656 | T476-A478 VanDerWaalsContact C-N 3.28Å; T476-A478 PolarHBondContact O-N 2.79Å; A478-A480 PolarHBondContact O-N 2.83Å; A478-R481 PolarHBondContact O-N 2.98Å; A478-V482 WeakPolarHBondContact O-CG2 3.3Å; A478-V482 PolarHBondContact O-N 3.43Å; A478-I654 HydrophobicContact CB-CG2 3.97Å; A478-D655 WeakPolarHBondContact CB-OD1 3.34Å; A478-E656 HydrophobicContact CB-CB 3.73Å; A478-E656 HydrophobicContact CB-CG 3.79Å; A478-E656 PolarHBondContact N-OE2 3.08Å |
| 479 | Q | 93.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.9 | -73 | 166.2 | -0.7 | 0 | 0 | 111.7 | P475 T476 R481 V482 V483 S506 V511 I654 | P475-Q479 HydrophobicContact CB-CB 4.22Å; T476-Q479 PolarHBondContact O-N 2.82Å; T476-Q479 WeakPolarHBondContact OG1-CG 3.48Å; T476-Q479 PolarHBondContact OG1-N 3.26Å; Q479-R481 PolarHBondContact O-N 2.8Å; Q479-V482 PolarHBondContact O-N 2.92Å; Q479-V483 WeakPolarHBondContact O-CB 3.3Å; Q479-V483 WeakPolarHBondContact O-CG2 3.37Å; Q479-V483 PolarHBondContact O-N 3.27Å; Q479-S506 PolarHBondContact NE2-O 3.03Å; Q479-V511 HydrophobicContact CB-CG2 4.27Å; Q479-V511 HydrophobicContact CG-CG2 4.22Å; Q479-I654 HydrophobicContact CG-CG2 4.13Å |
| 480 | A | 93.6 | Very high | 91.9 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T476 G477 A478 V483 A484 | T476-A480 PolarHBondContact O-N 2.82Å; G477-A480 PolarHBondContact O-N 2.96Å; A478-A480 PolarHBondContact O-N 2.83Å; A480-V483 PolarHBondContact O-N 3.37Å; A480-A484 WeakPolarHBondContact O-CB 3.33Å; A480-A484 PolarHBondContact O-N 2.88Å |
| 481 | R | 95.1 | Very high | 92.1 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 175.1 | 178 | 174.2 | 58.6 | 73.3 | -0.3 | 111.7 | G477 A478 Q479 V483 A484 E485 V653 D655 | G477-R481 WeakPolarHBondContact O-CB 3.39Å; G477-R481 PolarHBondContact O-N 3.04Å; A478-R481 PolarHBondContact O-N 2.98Å; Q479-R481 PolarHBondContact O-N 2.8Å; R481-V483 VanDerWaalsContact C-N 3.34Å; R481-V483 PolarHBondContact O-N 2.84Å; R481-A484 PolarHBondContact O-N 3.24Å; R481-E485 WeakPolarHBondContact CG-OE1 3.37Å; R481-E485 IonicContact NH1-OE1 3.7Å; R481-E485 PolarHBondContact NH1-OE1 3.34Å; R481-E485 VanDerWaalsContact NH1-OE1 3.14Å; R481-E485 WeakPolarHBondContact O-CG 3.44Å; R481-E485 PolarHBondContact O-N 3.01Å; R481-V653 PolarHBondContact NH2-O 2.63Å; R481-D655 IonicContact NH2-OD1 2.75Å; R481-D655 PolarHBondContact NH2-OD1 3.24Å; R481-D655 IonicContact NH2-OD2 3.81Å |
| 482 | V | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 179.4 | 173 | 0 | 0 | 0 | 0 | 111.8 | A478 Q479 E485 I486 V500 V511 I654 | A478-V482 WeakPolarHBondContact O-CG2 3.3Å; A478-V482 PolarHBondContact O-N 3.43Å; Q479-V482 PolarHBondContact O-N 2.92Å; V482-E485 PolarHBondContact O-N 3.47Å; V482-I486 HydrophobicContact CG1-CD1 3.95Å; V482-I486 WeakPolarHBondContact O-CG1 3.39Å; V482-I486 PolarHBondContact O-N 3.21Å; V482-V500 HydrophobicContact CG1-CG1 4.1Å; V482-V500 HydrophobicContact CG1-CG2 3.84Å; V482-V511 HydrophobicContact CG1-CG1 3.81Å; V482-I654 HydrophobicContact CB-CG1 4.42Å; V482-I654 HydrophobicContact CG2-CG1 3.92Å |
| 483 | V | 95.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | Q479 A480 R481 E485 I486 E487 V511 L514 | Q479-V483 WeakPolarHBondContact O-CB 3.3Å; Q479-V483 WeakPolarHBondContact O-CG2 3.37Å; Q479-V483 PolarHBondContact O-N 3.27Å; A480-V483 PolarHBondContact O-N 3.37Å; R481-V483 VanDerWaalsContact C-N 3.34Å; R481-V483 PolarHBondContact O-N 2.84Å; V483-E485 VanDerWaalsContact C-N 3.32Å; V483-E485 PolarHBondContact O-N 3.46Å; V483-I486 PolarHBondContact O-N 3.29Å; V483-E487 HydrophobicContact CG1-CG 4.18Å; V483-E487 WeakPolarHBondContact O-CB 3.29Å; V483-E487 VanDerWaalsContact O-CG 3.26Å; V483-E487 WeakPolarHBondContact O-CG 3.37Å; V483-E487 PolarHBondContact O-N 3.23Å; V483-V511 HydrophobicContact CG2-CB 4.27Å; V483-V511 HydrophobicContact CG2-CG1 4Å; V483-V511 HydrophobicContact CG2-CG2 4.11Å; V483-L514 HydrophobicContact CG1-CB 4.13Å; V483-L514 HydrophobicContact CG1-CD1 4.41Å; V483-L514 HydrophobicContact CG2-CB 4.12Å; V483-L514 HydrophobicContact CG2-CD1 3.69Å |
| 484 | A | 94.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A480 R481 R488 | A480-A484 WeakPolarHBondContact O-CB 3.33Å; A480-A484 PolarHBondContact O-N 2.88Å; R481-A484 PolarHBondContact O-N 3.24Å; A484-R488 WeakPolarHBondContact O-CB 3.31Å; A484-R488 PolarHBondContact O-N 2.67Å; A484-R488 VanDerWaalsContact O-N 3.08Å |
| 485 | E | 94.7 | Very high | 92.6 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -48 | 172 | -69.8 | 166.6 | -163.6 | 0 | 0 | 111 | R481 V482 V483 R488 D489 R498 S652 | R481-E485 WeakPolarHBondContact CG-OE1 3.37Å; R481-E485 IonicContact NH1-OE1 3.7Å; R481-E485 PolarHBondContact NH1-OE1 3.34Å; R481-E485 VanDerWaalsContact NH1-OE1 3.14Å; R481-E485 WeakPolarHBondContact O-CG 3.44Å; R481-E485 PolarHBondContact O-N 3.01Å; V482-E485 PolarHBondContact O-N 3.47Å; V483-E485 VanDerWaalsContact C-N 3.32Å; V483-E485 PolarHBondContact O-N 3.46Å; E485-R488 WeakPolarHBondContact O-CB 3.5Å; E485-R488 PolarHBondContact O-N 2.79Å; E485-D489 PolarHBondContact O-N 3.46Å; E485-R498 IonicContact OE2-NH1 2.66Å; E485-S652 WeakPolarHBondContact OE2-CB 3.27Å; E485-S652 PolarHBondContact OE2-OG 3.35Å |
| 486 | I | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -47.7 | 176.3 | -68 | 160.7 | 0 | 0 | 0 | 111 | V482 V483 R488 D489 L490 M496 V500 V511 A515 L630 | V482-I486 HydrophobicContact CG1-CD1 3.95Å; V482-I486 WeakPolarHBondContact O-CG1 3.39Å; V482-I486 PolarHBondContact O-N 3.21Å; V483-I486 PolarHBondContact O-N 3.29Å; I486-R488 PolarHBondContact O-N 2.88Å; I486-D489 PolarHBondContact O-N 3.12Å; I486-D489 VanDerWaalsContact O-N 3.15Å; I486-L490 HydrophobicContact CG2-CD1 3.8Å; I486-L490 HydrophobicContact CG2-CG 4.04Å; I486-L490 VanDerWaalsContact O-CG 3.3Å; I486-L490 WeakPolarHBondContact O-CG 3.08Å; I486-L490 PolarHBondContact O-N 2.95Å; I486-M496 HydrophobicContact CB-SD 4.38Å; I486-M496 HydrophobicContact CG1-SD 4.5Å; I486-M496 HydrophobicContact CG2-CE 4.26Å; I486-M496 HydrophobicContact CG2-SD 3.88Å; I486-V500 HydrophobicContact CD1-CG2 4.03Å; I486-V511 HydrophobicContact CD1-CG1 3.38Å; I486-A515 HydrophobicContact CG2-CB 3.77Å; I486-L630 HydrophobicContact CD1-CD1 3.82Å; I486-L630 HydrophobicContact CD1-CD2 4.25Å; I486-L630 HydrophobicContact CG1-CD1 4.02Å |
| 487 | E | 94.9 | Very high | 92.2 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -33.2 | -179.3 | -73.4 | 178.1 | 159.3 | 0 | 0 | 112.5 | K464 V483 A491 R518 | K464-E487 WeakPolarHBondContact CD-OE1 3.21Å; K464-E487 WeakPolarHBondContact CE-OE1 3.33Å; K464-E487 VanDerWaalsContact NZ-CD 3.35Å; K464-E487 IonicContact NZ-OE1 2.73Å; K464-E487 PolarHBondContact NZ-OE1 3.47Å; K464-E487 IonicContact NZ-OE2 3.16Å; K464-E487 PolarHBondContact NZ-OE2 2.81Å; V483-E487 HydrophobicContact CG1-CG 4.18Å; V483-E487 WeakPolarHBondContact O-CB 3.29Å; V483-E487 VanDerWaalsContact O-CG 3.26Å; V483-E487 WeakPolarHBondContact O-CG 3.37Å; V483-E487 PolarHBondContact O-N 3.23Å; E487-A491 PolarHBondContact O-N 3.37Å; E487-R518 IonicContact OE1-CZ 3.64Å; E487-R518 IonicContact OE1-NE 3.52Å; E487-R518 IonicContact OE1-NH2 2.68Å; E487-R518 PolarHBondContact OE1-NH2 3.28Å; E487-R518 IonicContact OE2-NH2 3.51Å |
| 488 | R | 94.3 | Very high | 92 | Very high | 173 Ų | 173 | 39.3 Ų | 39.3 | 65% | 0.653 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.8 | -44.9 | 174.4 | -173.6 | -173.9 | -57.6 | 159.6 | 5.2 | 111.5 | A484 E485 I486 A491 | A484-R488 WeakPolarHBondContact O-CB 3.31Å; A484-R488 PolarHBondContact O-N 2.67Å; A484-R488 VanDerWaalsContact O-N 3.08Å; E485-R488 WeakPolarHBondContact O-CB 3.5Å; E485-R488 PolarHBondContact O-N 2.79Å; I486-R488 PolarHBondContact O-N 2.88Å; R488-A491 PolarHBondContact O-N 3.32Å |
| 489 | D | 92.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.4 | -38.6 | -179.6 | -60.8 | -10.6 | 0 | 0 | 0 | 112.1 | E485 I486 A491 L492 M496 R498 | E485-D489 PolarHBondContact O-N 3.46Å; I486-D489 PolarHBondContact O-N 3.12Å; I486-D489 VanDerWaalsContact O-N 3.15Å; D489-A491 PolarHBondContact O-N 2.87Å; D489-L492 WeakPolarHBondContact O-CB 3.36Å; D489-L492 PolarHBondContact O-N 3.35Å; D489-M496 HydrophobicContact CB-CB 3.81Å; D489-M496 HydrophobicContact CB-CG 3.5Å; D489-M496 HydrophobicContact CB-SD 3.8Å; D489-M496 WeakPolarHBondContact OD2-CG 3.49Å; D489-R498 VanDerWaalsContact CG-NH2 3.34Å; D489-R498 IonicContact OD1-NH2 2.78Å; D489-R498 PolarHBondContact OD1-NH2 3Å; D489-R498 IonicContact OD2-CZ 2.86Å; D489-R498 IonicContact OD2-NE 3.83Å; D489-R498 PolarHBondContact OD2-NE 3.05Å; D489-R498 IonicContact OD2-NH2 3.33Å; D489-R498 PolarHBondContact OD2-NH2 2.94Å |
| 490 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -24.4 | 175.7 | -70 | -179.2 | 0 | 0 | 0 | 112.2 | L457 I486 L492 M496 R518 L599 H628 | L457-L490 WeakPolarHBondContact CA-O 3.13Å; L457-L490 HydrophobicContact CB-CB 4.3Å; L457-L490 WeakPolarHBondContact CB-O 3.45Å; L457-L490 HydrophobicContact CD1-CB 4.44Å; L457-L490 HydrophobicContact CD1-CD2 4.27Å; L457-L490 PolarHBondContact N-O 3.25Å; I486-L490 HydrophobicContact CG2-CD1 3.8Å; I486-L490 HydrophobicContact CG2-CG 4.04Å; I486-L490 VanDerWaalsContact O-CG 3.3Å; I486-L490 WeakPolarHBondContact O-CG 3.08Å; I486-L490 PolarHBondContact O-N 2.95Å; L490-L492 VanDerWaalsContact C-N 3.32Å; L490-M496 HydrophobicContact CD2-CE 4.19Å; L490-M496 HydrophobicContact CD2-SD 4.19Å; L490-M496 HydrophobicContact CG-SD 4.33Å; L490-R518 HydrophobicContact CB-CG 4.48Å; L490-R518 HydrophobicContact CD1-CB 3.97Å; L490-R518 HydrophobicContact CD1-CG 3.84Å; L490-L599 HydrophobicContact CD2-CD1 4.31Å; L490-H628 HydrophobicContact CD2-CB 3.6Å; L490-H628 VanDerWaalsContact CD2-CG 3.4Å |
| 491 | A | 93.9 | Very high | 91.1 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -12.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P456 E487 R488 D489 | P456-A491 WeakPolarHBondContact CB-O 3.41Å; E487-A491 PolarHBondContact O-N 3.37Å; R488-A491 PolarHBondContact O-N 3.32Å; D489-A491 PolarHBondContact O-N 2.87Å |
| 492 | L | 91.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 31.8 Ų | 31.8 | 44% | 0.44 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -82.4 | 159.2 | 178.1 | -56.8 | 176.4 | 0 | 0 | 0 | 111.4 | P456 D489 L490 V494 | P456-L492 WeakPolarHBondContact CA-O 3.47Å; D489-L492 WeakPolarHBondContact O-CB 3.36Å; D489-L492 PolarHBondContact O-N 3.35Å; L490-L492 VanDerWaalsContact C-N 3.32Å; L492-V494 HydrophobicContact CB-CG2 3.93Å; L492-V494 HydrophobicContact CD1-CG2 4.25Å; L492-V494 PolarHBondContact O-N 3.39Å |
| 493 | D | 89.1 | Confident | 89.7 | Confident | 98 Ų | 98 | 32.8 Ų | 32.8 | 52% | 0.524 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -84.3 | 6.8 | 176.1 | 61.6 | -18.6 | 0 | 0 | 0 | 113.6 | A454 | A454-D493 PolarHBondContact N-O 3.34Š|
| 494 | V | 86.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 32.9 Ų | 32.9 | 22% | 0.224 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -110 | 144.6 | 176 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | Q450 L492 M496 | Q450-V494 HydrophobicContact CB-CG1 4.33Å; Q450-V494 HydrophobicContact CG-CG1 4.35Å; L492-V494 HydrophobicContact CB-CG2 3.93Å; L492-V494 HydrophobicContact CD1-CG2 4.25Å; L492-V494 PolarHBondContact O-N 3.39Å; V494-M496 PolarHBondContact O-N 2.97Å |
| 495 | P | 86.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | trans | -57.5 | 127 | 177 | -24.5 | 32.4 | 0 | 0 | 0 | 111.4 | F452 A454 H626 | F452-P495 HydrophobicContact CB-CG 3.99Å; F452-P495 WeakPolarHBondContact O-CD 3.39Å; A454-P495 HydrophobicContact CB-CB 4.33Å; A454-P495 HydrophobicContact CB-CG 3.96Å; P495-H626 HydrophobicContact CG-CB 3.77Å | ||
| 496 | M | 89.6 | Confident | 86.8 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | trans | -73 | 130.7 | 172.3 | 175.1 | -168.2 | 77.8 | 0 | 0 | 107.6 | I486 D489 L490 V494 R498 L599 H628 Q629 L630 | I486-M496 HydrophobicContact CB-SD 4.38Å; I486-M496 HydrophobicContact CG1-SD 4.5Å; I486-M496 HydrophobicContact CG2-CE 4.26Å; I486-M496 HydrophobicContact CG2-SD 3.88Å; D489-M496 HydrophobicContact CB-CB 3.81Å; D489-M496 HydrophobicContact CB-CG 3.5Å; D489-M496 HydrophobicContact CB-SD 3.8Å; D489-M496 WeakPolarHBondContact OD2-CG 3.49Å; L490-M496 HydrophobicContact CD2-CE 4.19Å; L490-M496 HydrophobicContact CD2-SD 4.19Å; L490-M496 HydrophobicContact CG-SD 4.33Å; V494-M496 PolarHBondContact O-N 2.97Å; M496-R498 HydrophobicContact CE-CB 4.28Å; M496-R498 HydrophobicContact CG-CB 3.87Å; M496-R498 HydrophobicContact SD-CB 4.01Å; M496-L599 HydrophobicContact CE-CD1 4.07Å; M496-H628 HydrophobicContact CB-CB 3.97Å; M496-H628 WeakPolarHBondContact CB-ND1 3.42Å; M496-H628 HydrophobicContact CE-CB 4.39Å; M496-H628 PolarHBondContact N-ND1 3.43Å; M496-Q629 WeakPolarHBondContact CE-O 3.37Å; M496-Q629 PolarHBondContact O-N 3.49Å; M496-L630 HydrophobicContact CE-CB 3.86Å; M496-L630 HydrophobicContact CE-CD1 4Å | ||
| 497 | M | 83.6 | Confident | 86.3 | Confident | 42 Ų | 42 | 31 Ų | 31 | 21% | 0.207 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 90.9 | 173.7 | -65.3 | -61.6 | -74.6 | 0 | 0 | 107.7 | Q629 L649 D650 | M497-Q629 HydrophobicContact CE-CB 4.34Å; M497-Q629 HydrophobicContact CE-CG 4.36Å; M497-Q629 HydrophobicContact SD-CB 3.66Å; M497-Q629 HydrophobicContact SD-CG 3.7Å; M497-L649 HydrophobicContact CB-CD2 3.8Å; M497-L649 HydrophobicContact CE-CD2 4.03Å; M497-L649 CarbonylContact O-C 3.55Å; M497-L649 VanDerWaalsContact O-CA 3.29Å; M497-L649 WeakPolarHBondContact O-CA 3.06Å; M497-D650 PolarHBondContact O-N 3.42Å |
| 498 | R | 87.2 | Confident | 85.9 | Confident | 19 Ų | 19 | 30.2 Ų | 30.2 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.1 | -169.2 | -176 | 170.3 | -73.2 | -73.5 | -4 | 113.2 | E485 D489 M496 Q629 L630 I631 D650 S652 | E485-R498 IonicContact OE2-NH1 2.66Å; D489-R498 VanDerWaalsContact CG-NH2 3.34Å; D489-R498 IonicContact OD1-NH2 2.78Å; D489-R498 PolarHBondContact OD1-NH2 3Å; D489-R498 IonicContact OD2-CZ 2.86Å; D489-R498 IonicContact OD2-NE 3.83Å; D489-R498 PolarHBondContact OD2-NE 3.05Å; D489-R498 IonicContact OD2-NH2 3.33Å; D489-R498 PolarHBondContact OD2-NH2 2.94Å; M496-R498 HydrophobicContact CE-CB 4.28Å; M496-R498 HydrophobicContact CG-CB 3.87Å; M496-R498 HydrophobicContact SD-CB 4.01Å; R498-Q629 PolarHBondContact N-O 3.33Å; R498-L630 HydrophobicContact CB-CD1 4.27Å; R498-L630 HydrophobicContact CG-CD1 4.37Å; R498-I631 PolarHBondContact O-N 2.89Å; R498-D650 CarbonylContact C-O 3.56Å; R498-D650 VanDerWaalsContact CA-O 3.25Å; R498-D650 WeakPolarHBondContact CA-O 3.48Å; R498-D650 WeakPolarHBondContact CG-O 3.44Å; R498-D650 IonicContact NH2-OD2 3.42Å; R498-S652 WeakPolarHBondContact CD-OG 3.49Å; R498-S652 PolarHBondContact NH1-OG 3.3Å |
| 499 | L | 85.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111.8 | 172.2 | 177.2 | 64.3 | 0 | 0 | 0 | 110.5 | Q501 I631 T633 I637 L649 D650 T651 S652 | L499-Q501 HydrophobicContact CD2-CG 4.05Å; L499-Q501 HydrophobicContact CG-CG 3.88Å; L499-I631 CarbonylContact C-O 3.55Å; L499-I631 WeakPolarHBondContact CA-O 3.27Å; L499-I631 HydrophobicContact CD1-CB 4.02Å; L499-I631 HydrophobicContact CD1-CG2 3.59Å; L499-T633 HydrophobicContact CD1-CG2 3.99Å; L499-I637 HydrophobicContact CD2-CD1 4.19Å; L499-L649 HydrophobicContact CB-CB 4.23Å; L499-L649 HydrophobicContact CB-CD1 3.99Å; L499-D650 PolarHBondContact N-O 3.17Å; L499-T651 HydrophobicContact CD2-CG2 4.5Å; L499-T651 WeakPolarHBondContact O-CA 3.33Å; L499-S652 PolarHBondContact O-N 3Å |
| 500 | V | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.8 | 170.7 | 177 | 0 | 0 | 0 | 0 | 109.7 | V482 I486 L630 I631 M632 T633 S652 I654 | V482-V500 HydrophobicContact CG1-CG1 4.1Å; V482-V500 HydrophobicContact CG1-CG2 3.84Å; I486-V500 HydrophobicContact CD1-CG2 4.03Å; V500-L630 HydrophobicContact CG2-CD1 3.57Å; V500-L630 HydrophobicContact CG2-CG 4.48Å; V500-I631 PolarHBondContact N-O 3.47Å; V500-M632 HydrophobicContact CB-CG 4.39Å; V500-M632 WeakPolarHBondContact O-CA 3.33Å; V500-T633 PolarHBondContact O-N 2.92Å; V500-S652 WeakPolarHBondContact CA-O 3.37Å; V500-I654 HydrophobicContact CG1-CD1 3.79Å; V500-I654 HydrophobicContact CG1-CG1 4.1Å |
| 501 | Q | 85.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.5 | 175.4 | -51.1 | -173.3 | 21.6 | 0 | 0 | 109.8 | L499 T633 I637 S652 V653 I654 F826 | L499-Q501 HydrophobicContact CD2-CG 4.05Å; L499-Q501 HydrophobicContact CG-CG 3.88Å; Q501-T633 HydrophobicContact CB-CG2 4.19Å; Q501-T633 HydrophobicContact CG-CG2 3.82Å; Q501-I637 PolarHBondContact OE1-O 2.87Å; Q501-S652 PolarHBondContact N-O 2.88Å; Q501-V653 HydrophobicContact CB-CG2 4.44Å; Q501-V653 WeakPolarHBondContact O-CA 3.49Å; Q501-I654 PolarHBondContact O-N 3.21Å; Q501-F826 HydrophobicContact CB-CZ 4.41Å |
| 502 | G | 81.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 153.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | S506 K508 T633 | G502-S506 VanDerWaalsContact C-OG 3.31Å; G502-S506 WeakPolarHBondContact CA-OG 3.42Å; G502-K508 PolarHBondContact O-NZ 3.2Å; G502-T633 PolarHBondContact N-O 3.37Å |
| 503 | D | 78.3 | Confident | 85.9 | Confident | 21 Ų | 21 | 16.8 Ų | 16.8 | 11% | 0.112 | 10% | 0.101 | C | C | . | . | trans | -59.6 | 161.2 | -179.1 | -155.2 | -13.2 | 0 | 0 | 0 | 111.7 | G505 S506 K508 L657 H785 | D503-G505 PolarHBondContact O-N 2.91Å; D503-S506 PolarHBondContact N-OG 2.81Å; D503-S506 VanDerWaalsContact O-CB 3.28Å; D503-S506 WeakPolarHBondContact O-CB 3.31Å; D503-S506 PolarHBondContact O-N 2.88Å; D503-S506 PolarHBondContact O-OG 2.67Å; D503-K508 PolarHBondContact O-NZ 2.7Å; D503-L657 HydrophobicContact CB-CD2 4.26Å; D503-H785 IonicContact OD1-CD2 3.85Å; D503-H785 IonicContact OD1-CE1 3.62Å; D503-H785 PolarHBondContact OD1-CE1 3.47Å; D503-H785 IonicContact OD1-NE2 2.71Å; D503-H785 PolarHBondContact OD1-NE2 3.36Å; D503-H785 IonicContact OD2-CE1 3.14Å; D503-H785 IonicContact OD2-NE2 3.79Å | ||
| 504 | V | 72.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 12.4 Ų | 12.4 | 7% | 0.067 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 115.3 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | A634 R661 | V504-A634 HydrophobicContact CG2-CB 3.86Å; V504-R661 PolarHBondContact O-NH1 3.08Å; V504-R661 PolarHBondContact O-NH2 3.08Å |
| 505 | G | 73.2 | Confident | 86.5 | Confident | 30 Ų | 30 | 10.7 Ų | 10.7 | 31% | 0.309 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 15.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | D503 G507 P658 | D503-G505 PolarHBondContact O-N 2.91Å; G505-G507 PolarHBondContact O-N 3.37Å; G505-G507 VanDerWaalsContact O-N 3.1Å; G505-P658 WeakPolarHBondContact O-CD 3.33Å |
| 506 | S | 79.3 | Confident | 87 | Confident | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.007 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -60.6 | -4.5 | 161.2 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | Q479 G502 D503 | Q479-S506 PolarHBondContact NE2-O 3.03Å; G502-S506 VanDerWaalsContact C-OG 3.31Å; G502-S506 WeakPolarHBondContact CA-OG 3.42Å; D503-S506 PolarHBondContact N-OG 2.81Å; D503-S506 VanDerWaalsContact O-CB 3.28Å; D503-S506 WeakPolarHBondContact O-CB 3.31Å; D503-S506 PolarHBondContact O-N 2.88Å; D503-S506 PolarHBondContact O-OG 2.67Å |
| 507 | G | 83.2 | Confident | 87.3 | Confident | 17 Ų | 17 | 10 Ų | 10 | 18% | 0.175 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 90.7 | 24.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G505 T509 L510 V511 | G505-G507 PolarHBondContact O-N 3.37Å; G505-G507 VanDerWaalsContact O-N 3.1Å; G507-T509 PolarHBondContact O-N 3.24Å; G507-L510 WeakPolarHBondContact O-CB 3.36Å; G507-L510 PolarHBondContact O-N 3.2Å; G507-V511 PolarHBondContact O-N 3.44Å |
| 508 | K | 88.4 | Confident | 87.8 | Confident | 15 Ų | 15 | 8.4 Ų | 8.4 | 7% | 0.065 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -48 | -42.1 | 174.1 | -65.1 | -173.9 | -69.2 | -76.7 | 0 | 113.7 | G502 D503 L510 V511 A512 M632 T633 A634 I654 | G502-K508 PolarHBondContact O-NZ 3.2Å; D503-K508 PolarHBondContact O-NZ 2.7Å; K508-L510 VanDerWaalsContact C-N 3.27Å; K508-L510 PolarHBondContact O-N 2.81Å; K508-V511 WeakPolarHBondContact O-CB 3.45Å; K508-V511 PolarHBondContact O-N 3.02Å; K508-V511 VanDerWaalsContact O-N 3.14Å; K508-A512 PolarHBondContact O-N 3.03Å; K508-M632 HydrophobicContact CB-SD 4.01Å; K508-M632 HydrophobicContact CD-CB 4.46Å; K508-T633 VanDerWaalsContact CD-O 3.26Å; K508-T633 WeakPolarHBondContact CD-O 3.3Å; K508-T633 WeakPolarHBondContact CE-O 3.36Å; K508-A634 VanDerWaalsContact NZ-CA 3.31Å; K508-I654 HydrophobicContact CG-CD1 4.08Å |
| 509 | T | 88.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 7.5 Ų | 7.5 | 22% | 0.215 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.1 | -34.4 | 178 | -44 | 0 | 0 | 0 | 0 | 112.8 | G507 A513 F543 W546 | G507-T509 PolarHBondContact O-N 3.24Å; T509-A513 WeakPolarHBondContact O-CB 3.34Å; T509-A513 PolarHBondContact O-N 3.42Å; T509-F543 HydrophobicContact CG2-CE2 4.14Å; T509-F543 HydrophobicContact CG2-CZ 4.43Å; T509-W546 HydrophobicContact CG2-CH2 4.2Å; T509-W546 HydrophobicContact CG2-CZ3 3.97Å |
| 510 | L | 91.9 | Very high | 88.5 | Confident | 7 Ų | 7 | 8.2 Ų | 8.2 | 4% | 0.037 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68 | -44.2 | 175.1 | 177.8 | 65.9 | 0 | 0 | 0 | 110.8 | L471 F473 P475 G507 K508 A512 A513 L514 | L471-L510 HydrophobicContact CD1-CD1 3.6Å; F473-L510 HydrophobicContact CE2-CD2 3.96Å; P475-L510 HydrophobicContact CB-CD2 4.24Å; P475-L510 HydrophobicContact CG-CD2 4.19Å; G507-L510 WeakPolarHBondContact O-CB 3.36Å; G507-L510 PolarHBondContact O-N 3.2Å; K508-L510 VanDerWaalsContact C-N 3.27Å; K508-L510 PolarHBondContact O-N 2.81Å; L510-A512 VanDerWaalsContact C-N 3.33Å; L510-A512 PolarHBondContact O-N 2.85Å; L510-A513 PolarHBondContact O-N 3.18Å; L510-A513 VanDerWaalsContact O-N 3.15Å; L510-L514 HydrophobicContact CD1-CD1 4.29Å; L510-L514 HydrophobicContact CD1-CG 4.35Å; L510-L514 HydrophobicContact CG-CD1 4.03Å; L510-L514 VanDerWaalsContact O-CG 3.32Å; L510-L514 WeakPolarHBondContact O-CG 3.49Å; L510-L514 PolarHBondContact O-N 2.67Å |
| 511 | V | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 176 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | Q479 V482 V483 I486 G507 K508 A513 L514 A515 I654 | Q479-V511 HydrophobicContact CB-CG2 4.27Å; Q479-V511 HydrophobicContact CG-CG2 4.22Å; V482-V511 HydrophobicContact CG1-CG1 3.81Å; V483-V511 HydrophobicContact CG2-CB 4.27Å; V483-V511 HydrophobicContact CG2-CG1 4Å; V483-V511 HydrophobicContact CG2-CG2 4.11Å; I486-V511 HydrophobicContact CD1-CG1 3.38Å; G507-V511 PolarHBondContact O-N 3.44Å; K508-V511 WeakPolarHBondContact O-CB 3.45Å; K508-V511 PolarHBondContact O-N 3.02Å; K508-V511 VanDerWaalsContact O-N 3.14Å; V511-A513 VanDerWaalsContact C-N 3.34Å; V511-A513 PolarHBondContact O-N 3.08Å; V511-L514 PolarHBondContact O-N 2.89Å; V511-A515 WeakPolarHBondContact O-CB 3.46Å; V511-A515 PolarHBondContact O-N 3.38Å; V511-I654 HydrophobicContact CG2-CD1 3.78Å |
| 512 | A | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K508 L510 A515 A516 F543 I601 M632 | K508-A512 PolarHBondContact O-N 3.03Å; L510-A512 VanDerWaalsContact C-N 3.33Å; L510-A512 PolarHBondContact O-N 2.85Å; A512-A515 PolarHBondContact O-N 2.81Å; A512-A516 WeakPolarHBondContact O-CB 3.48Å; A512-A516 PolarHBondContact O-N 2.93Å; A512-F543 HydrophobicContact CB-CZ 4.38Å; A512-I601 HydrophobicContact CB-CD1 3.97Å; A512-I601 HydrophobicContact CB-CG2 4.12Å; A512-M632 HydrophobicContact CB-CE 4.02Å; A512-M632 HydrophobicContact CB-SD 3.69Å |
| 513 | A | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L467 T509 L510 V511 A516 L517 F543 W546 F547 | L467-A513 HydrophobicContact CD2-CB 4.47Å; T509-A513 WeakPolarHBondContact O-CB 3.34Å; T509-A513 PolarHBondContact O-N 3.42Å; L510-A513 PolarHBondContact O-N 3.18Å; L510-A513 VanDerWaalsContact O-N 3.15Å; V511-A513 VanDerWaalsContact C-N 3.34Å; V511-A513 PolarHBondContact O-N 3.08Å; A513-A516 PolarHBondContact O-N 3.04Å; A513-L517 WeakPolarHBondContact O-CG 3.29Å; A513-L517 PolarHBondContact O-N 2.97Å; A513-F543 HydrophobicContact CB-CD1 4.31Å; A513-F543 HydrophobicContact CB-CE1 3.68Å; A513-F543 HydrophobicContact CB-CZ 4.33Å; A513-W546 HydrophobicContact CB-CE3 3.83Å; A513-W546 HydrophobicContact CB-CZ3 3.9Å; A513-F547 HydrophobicContact CB-CE1 4.16Å; A513-F547 HydrophobicContact CB-CZ 4.2Å |
| 514 | L | 94.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 177.4 | -63.7 | 167.6 | 0 | 0 | 0 | 111.4 | K464 L467 L468 V483 L510 V511 L517 | K464-L514 HydrophobicContact CG-CD2 3.89Å; L467-L514 HydrophobicContact CD2-CD2 4.17Å; L468-L514 HydrophobicContact CD2-CD1 4.34Å; L468-L514 HydrophobicContact CD2-CD2 3.92Å; L468-L514 HydrophobicContact CG-CD2 4.07Å; V483-L514 HydrophobicContact CG1-CB 4.13Å; V483-L514 HydrophobicContact CG1-CD1 4.41Å; V483-L514 HydrophobicContact CG2-CB 4.12Å; V483-L514 HydrophobicContact CG2-CD1 3.69Å; L510-L514 HydrophobicContact CD1-CD1 4.29Å; L510-L514 HydrophobicContact CD1-CG 4.35Å; L510-L514 HydrophobicContact CG-CD1 4.03Å; L510-L514 VanDerWaalsContact O-CG 3.32Å; L510-L514 WeakPolarHBondContact O-CG 3.49Å; L510-L514 PolarHBondContact O-N 2.67Å; V511-L514 PolarHBondContact O-N 2.89Å; L514-L517 PolarHBondContact O-N 3.44Å |
| 515 | A | 95.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I486 V511 A512 L517 R518 L599 L630 | I486-A515 HydrophobicContact CG2-CB 3.77Å; V511-A515 WeakPolarHBondContact O-CB 3.46Å; V511-A515 PolarHBondContact O-N 3.38Å; A512-A515 PolarHBondContact O-N 2.81Å; A515-L517 VanDerWaalsContact C-N 3.35Å; A515-L517 PolarHBondContact O-N 2.8Å; A515-R518 VanDerWaalsContact O-CB 3.29Å; A515-R518 WeakPolarHBondContact O-CB 3.2Å; A515-R518 PolarHBondContact O-N 2.7Å; A515-L599 HydrophobicContact CB-CD2 4.11Å; A515-L630 HydrophobicContact CB-CD2 4.1Å |
| 516 | A | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A512 A513 R518 A519 I520 V526 F547 M580 I601 | A512-A516 WeakPolarHBondContact O-CB 3.48Å; A512-A516 PolarHBondContact O-N 2.93Å; A513-A516 PolarHBondContact O-N 3.04Å; A516-R518 PolarHBondContact O-N 3.15Å; A516-A519 PolarHBondContact O-N 3.49Å; A516-I520 VanDerWaalsContact O-CG1 3.3Å; A516-I520 WeakPolarHBondContact O-CG1 3.38Å; A516-I520 PolarHBondContact O-N 2.84Å; A516-V526 HydrophobicContact CB-CB 4.29Å; A516-V526 HydrophobicContact CB-CG1 3.9Å; A516-V526 HydrophobicContact CB-CG2 4.08Å; A516-F547 HydrophobicContact CB-CE2 4.44Å; A516-F547 HydrophobicContact CB-CZ 4.24Å; A516-M580 HydrophobicContact CB-SD 4.17Å; A516-I601 HydrophobicContact CB-CD1 4.34Å |
| 517 | L | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.8 | -30.3 | 178.3 | -71.9 | -179.7 | 0 | 0 | 0 | 113.1 | L463 L467 A513 L514 A515 A521 F547 L550 I552 | L463-L517 HydrophobicContact CB-CB 4.23Å; L463-L517 HydrophobicContact CB-CD1 4.33Å; L463-L517 HydrophobicContact CB-CD2 4.09Å; L463-L517 HydrophobicContact CB-CG 4.45Å; L463-L517 HydrophobicContact CD1-CD2 4.33Å; L467-L517 HydrophobicContact CB-CD1 3.78Å; L467-L517 HydrophobicContact CD2-CD1 3.59Å; L467-L517 HydrophobicContact CG-CD1 4.31Å; A513-L517 WeakPolarHBondContact O-CG 3.29Å; A513-L517 PolarHBondContact O-N 2.97Å; L514-L517 PolarHBondContact O-N 3.44Å; A515-L517 VanDerWaalsContact C-N 3.35Å; A515-L517 PolarHBondContact O-N 2.8Å; L517-A521 WeakPolarHBondContact O-CB 3.21Å; L517-A521 PolarHBondContact O-N 3.45Å; L517-F547 HydrophobicContact CD1-CE1 4.18Å; L517-F547 HydrophobicContact CD2-CD1 4.02Å; L517-F547 HydrophobicContact CD2-CE1 3.55Å; L517-F547 HydrophobicContact CD2-CE2 4.32Å; L517-F547 HydrophobicContact CD2-CZ 3.71Å; L517-F547 HydrophobicContact CG-CE1 3.76Å; L517-F547 HydrophobicContact CG-CZ 3.9Å; L517-L550 HydrophobicContact CD1-CD1 4.19Å; L517-L550 HydrophobicContact CD2-CD1 3.95Å; L517-I552 HydrophobicContact CD2-CD1 3.47Å; L517-I552 VanDerWaalsContact CD2-CD1 3.47Å |
| 518 | R | 94.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 13.3 Ų | 13.3 | 3% | 0.034 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 175.2 | -176.8 | 66 | 55.9 | 177.6 | -11.1 | 112 | L457 S458 N460 D461 E487 L490 A515 A516 H522 | L457-R518 HydrophobicContact CB-CG 3.97Å; L457-R518 HydrophobicContact CD1-CG 4.46Å; S458-R518 WeakPolarHBondContact O-CD 3.35Å; S458-R518 PolarHBondContact O-NH1 3.09Å; N460-R518 PolarHBondContact O-NH1 3.08Å; D461-R518 IonicContact OD1-CZ 3.2Å; D461-R518 IonicContact OD1-NH1 2.91Å; D461-R518 PolarHBondContact OD1-NH1 3.47Å; D461-R518 IonicContact OD1-NH2 2.64Å; D461-R518 PolarHBondContact OD1-NH2 3.07Å; E487-R518 IonicContact OE1-CZ 3.64Å; E487-R518 IonicContact OE1-NE 3.52Å; E487-R518 IonicContact OE1-NH2 2.68Å; E487-R518 PolarHBondContact OE1-NH2 3.28Å; E487-R518 IonicContact OE2-NH2 3.51Å; L490-R518 HydrophobicContact CB-CG 4.48Å; L490-R518 HydrophobicContact CD1-CB 3.97Å; L490-R518 HydrophobicContact CD1-CG 3.84Å; A515-R518 VanDerWaalsContact O-CB 3.29Å; A515-R518 WeakPolarHBondContact O-CB 3.2Å; A515-R518 PolarHBondContact O-N 2.7Å; A516-R518 PolarHBondContact O-N 3.15Å; R518-H522 PolarHBondContact O-ND1 3.27Å |
| 519 | A | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L457 A516 A521 H522 K524 V526 A598 L599 | L457-A519 HydrophobicContact CD1-CB 3.82Å; A516-A519 PolarHBondContact O-N 3.49Å; A519-A521 VanDerWaalsContact C-N 3.3Å; A519-A521 PolarHBondContact O-N 3.46Å; A519-H522 PolarHBondContact O-N 3.2Å; A519-K524 WeakPolarHBondContact O-CB 3.48Å; A519-K524 PolarHBondContact O-N 2.77Å; A519-K524 VanDerWaalsContact O-N 3.14Å; A519-V526 HydrophobicContact CB-CG2 3.63Å; A519-A598 HydrophobicContact CB-CB 4.34Å; A519-L599 HydrophobicContact CB-CB 4.22Å |
| 520 | I | 94.8 | Very high | 93.4 | Very high | 14 Ų | 14 | 11 Ų | 11 | 7% | 0.072 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 178.3 | -62.2 | 171.5 | 0 | 0 | 0 | 111.2 | L463 A516 H522 G523 K524 V526 F547 I552 Q579 M580 | L463-I520 HydrophobicContact CD1-CG2 4.19Å; A516-I520 VanDerWaalsContact O-CG1 3.3Å; A516-I520 WeakPolarHBondContact O-CG1 3.38Å; A516-I520 PolarHBondContact O-N 2.84Å; I520-H522 PolarHBondContact O-N 3.23Å; I520-H522 VanDerWaalsContact O-N 3.16Å; I520-G523 PolarHBondContact O-N 2.88Å; I520-K524 WeakPolarHBondContact CA-O 3.28Å; I520-V526 HydrophobicContact CD1-CG2 4.4Å; I520-V526 HydrophobicContact CG1-CG2 3.97Å; I520-F547 HydrophobicContact CD1-CD2 4.42Å; I520-F547 HydrophobicContact CD1-CE2 3.91Å; I520-I552 HydrophobicContact CD1-CG2 4.01Å; I520-I552 HydrophobicContact CG2-CD1 4.01Å; I520-I552 HydrophobicContact CG2-CG1 4.13Å; I520-I552 HydrophobicContact CG2-CG2 4.29Å; I520-Q579 HydrophobicContact CB-CB 4.5Å; I520-Q579 HydrophobicContact CD1-CB 4.17Å; I520-Q579 HydrophobicContact CG1-CB 3.97Å; I520-Q579 HydrophobicContact CG2-CB 3.83Å; I520-Q579 HydrophobicContact CG2-CG 4.13Å; I520-M580 HydrophobicContact CD1-CB 4.3Å |
| 521 | A | 93.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 12 Ų | 12 | 21% | 0.207 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | N460 L463 L517 A519 | N460-A521 HydrophobicContact CB-CB 4.16Å; N460-A521 PolarHBondContact ND2-O 2.91Å; L463-A521 HydrophobicContact CD1-CB 3.96Å; L463-A521 HydrophobicContact CG-CB 4.48Å; L517-A521 WeakPolarHBondContact O-CB 3.21Å; L517-A521 PolarHBondContact O-N 3.45Å; A519-A521 VanDerWaalsContact C-N 3.3Å; A519-A521 PolarHBondContact O-N 3.46Å |
| 522 | H | 92.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 14 Ų | 14 | 23% | 0.231 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 13.7 | 174.3 | -70.5 | 77.9 | 0 | 0 | 0 | 112.8 | L457 S458 R518 A519 I520 K524 | L457-H522 HydrophobicContact CD2-CB 3.79Å; S458-H522 PolarHBondContact N-NE2 3.37Å; S458-H522 PolarHBondContact O-CE1 3.01Å; S458-H522 PolarHBondContact OG-NE2 2.98Å; S458-H522 VanDerWaalsContact OG-NE2 3.14Å; R518-H522 PolarHBondContact O-ND1 3.27Å; A519-H522 PolarHBondContact O-N 3.2Å; I520-H522 PolarHBondContact O-N 3.23Å; I520-H522 VanDerWaalsContact O-N 3.16Å; H522-K524 VanDerWaalsContact C-N 3.31Å; H522-K524 HydrophobicContact CB-CG 4.48Å; H522-K524 PolarHBondContact O-N 3.43Å |
| 523 | G | 91.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 16.1 Ų | 16.1 | 69% | 0.691 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 24.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I520 | I520-G523 PolarHBondContact O-N 2.88Š|
| 524 | K | 92.5 | Very high | 89.7 | Confident | 43 Ų | 43 | 18.5 Ų | 18.5 | 19% | 0.187 | 12% | 0.115 | C | C | . | . | trans | -108.7 | 159.1 | -179.8 | -57.7 | -65 | 166.2 | 153.6 | 0 | 112 | A519 I520 H522 G596 A598 | A519-K524 WeakPolarHBondContact O-CB 3.48Å; A519-K524 PolarHBondContact O-N 2.77Å; A519-K524 VanDerWaalsContact O-N 3.14Å; I520-K524 WeakPolarHBondContact CA-O 3.28Å; H522-K524 VanDerWaalsContact C-N 3.31Å; H522-K524 HydrophobicContact CB-CG 4.48Å; H522-K524 PolarHBondContact O-N 3.43Å; K524-G596 WeakPolarHBondContact CB-O 3.43Å; K524-A598 HydrophobicContact CB-CB 3.51Å; K524-A598 HydrophobicContact CG-CB 3.91Å | ||
| 525 | Q | 94.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.023 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 150.6 | 179.9 | -65.5 | -179.3 | -54.5 | 0 | 0 | 111.5 | I573 V578 Q579 I581 G596 A598 | Q525-I573 PolarHBondContact NE2-O 3.23Å; Q525-V578 PolarHBondContact NE2-O 2.85Å; Q525-Q579 CarbonylContact C-O 3.59Å; Q525-Q579 VanDerWaalsContact CA-O 3.31Å; Q525-Q579 WeakPolarHBondContact CA-O 3.42Å; Q525-I581 HydrophobicContact CB-CD1 4.04Å; Q525-I581 HydrophobicContact CG-CD1 4.38Å; Q525-G596 PolarHBondContact N-O 3.48Å; Q525-A598 PolarHBondContact O-N 3.15Å |
| 526 | V | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.2 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 109 | A516 A519 I520 Q579 M580 I581 L599 I601 | A516-V526 HydrophobicContact CB-CB 4.29Å; A516-V526 HydrophobicContact CB-CG1 3.9Å; A516-V526 HydrophobicContact CB-CG2 4.08Å; A519-V526 HydrophobicContact CB-CG2 3.63Å; I520-V526 HydrophobicContact CD1-CG2 4.4Å; I520-V526 HydrophobicContact CG1-CG2 3.97Å; V526-Q579 PolarHBondContact N-O 3.41Å; V526-M580 HydrophobicContact CB-SD 3.76Å; V526-M580 HydrophobicContact CG1-CE 4.42Å; V526-M580 HydrophobicContact CG1-SD 3.78Å; V526-I581 WeakPolarHBondContact O-CD1 3.36Å; V526-I581 PolarHBondContact O-N 3.43Å; V526-L599 VanDerWaalsContact CA-O 3.31Å; V526-L599 WeakPolarHBondContact CA-O 3.19Å; V526-L599 HydrophobicContact CG1-CB 4.12Å; V526-L599 HydrophobicContact CG1-CD2 4.05Å; V526-L599 HydrophobicContact CG1-CG 4.11Å; V526-L599 HydrophobicContact CG2-CB 4.16Å; V526-I601 HydrophobicContact CG1-CD1 3.91Å; V526-I601 HydrophobicContact CG1-CG1 4.18Å |
| 527 | A | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I581 I587 F594 L597 L599 V600 I601 | A527-I581 CarbonylContact C-O 2.83Å; A527-I581 WeakPolarHBondContact CA-O 3.33Å; A527-I587 HydrophobicContact CB-CG2 4.33Å; A527-F594 HydrophobicContact CB-CE1 4.3Å; A527-F594 HydrophobicContact CB-CZ 4.24Å; A527-L597 HydrophobicContact CB-CD1 3.75Å; A527-L599 PolarHBondContact N-O 2.86Å; A527-V600 CarbonylContact O-C 3.46Å; A527-V600 WeakPolarHBondContact O-CA 3.5Å; A527-I601 PolarHBondContact O-N 3.35Å |
| 528 | L | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.6 | 170 | -174.1 | 150.8 | 0 | 0 | 0 | 111 | H539 F543 M580 I581 V582 G583 I587 I601 | L528-H539 HydrophobicContact CD2-CB 3.9Å; L528-F543 HydrophobicContact CD1-CE2 3.5Å; L528-F543 HydrophobicContact CD1-CZ 3.67Å; L528-M580 HydrophobicContact CB-CE 3.45Å; L528-M580 VanDerWaalsContact CB-CE 3.45Å; L528-M580 HydrophobicContact CD1-CE 4.08Å; L528-M580 HydrophobicContact CG-CE 4.43Å; L528-I581 PolarHBondContact N-O 3.1Å; L528-V582 HydrophobicContact CB-CG2 4.37Å; L528-V582 HydrophobicContact CD2-CG1 3.87Å; L528-V582 WeakPolarHBondContact O-CA 3.47Å; L528-G583 PolarHBondContact O-N 3.41Å; L528-I587 WeakPolarHBondContact O-CD1 3.5Å; L528-I601 CarbonylContact C-O 3.55Å; L528-I601 WeakPolarHBondContact CA-O 3.12Å; L528-I601 HydrophobicContact CB-CB 4.24Å; L528-I601 HydrophobicContact CD1-CB 4.25Å; L528-I601 HydrophobicContact CD1-CG2 3.93Å; L528-I601 HydrophobicContact CG-CB 4.16Å; L528-I601 HydrophobicContact CG-CG2 4.15Å |
| 529 | M | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.3 | -177.3 | -60.7 | -146.7 | 61.8 | 0 | 0 | 110.7 | G583 T584 I587 F588 I601 D603 F608 L616 | M529-G583 WeakPolarHBondContact CA-O 3.49Å; M529-T584 WeakPolarHBondContact CE-O 3.45Å; M529-I587 HydrophobicContact CE-CB 4.16Å; M529-I587 HydrophobicContact CE-CD1 4.43Å; M529-I587 HydrophobicContact CG-CD1 4.09Å; M529-I587 HydrophobicContact SD-CB 4.45Å; M529-F588 HydrophobicContact CE-CD1 4.35Å; M529-F588 HydrophobicContact CE-CD2 3.72Å; M529-F588 HydrophobicContact CE-CE1 3.76Å; M529-F588 HydrophobicContact CE-CE2 3.02Å; M529-F588 HydrophobicContact CE-CG 4.31Å; M529-F588 HydrophobicContact CE-CZ 3.06Å; M529-F588 HydrophobicContact SD-CD1 4.08Å; M529-F588 HydrophobicContact SD-CD2 4.46Å; M529-F588 HydrophobicContact SD-CE1 3.23Å; M529-F588 WeakPolarHBondContact SD-CE1 3.36Å; M529-F588 HydrophobicContact SD-CE2 3.72Å; M529-F588 HydrophobicContact SD-CZ 3.02Å; M529-F588 WeakPolarHBondContact SD-CZ 3.2Å; M529-I601 PolarHBondContact N-O 3Å; M529-D603 PolarHBondContact O-N 3.43Å; M529-F608 HydrophobicContact CB-CZ 4.18Å; M529-F608 HydrophobicContact CE-CE1 4.09Å; M529-L616 HydrophobicContact CG-CD1 4.11Å; M529-L616 HydrophobicContact SD-CD1 3.3Å; M529-L616 WeakPolarHBondContact SD-CD1 3.32Å; M529-L616 HydrophobicContact SD-CG 4.28Å |
| 530 | A | 85 | Confident | 86.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -128 | 146 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T532 L535 A536 G583 | A530-T532 VanDerWaalsContact C-N 3.3Å; A530-T532 PolarHBondContact O-N 3.02Å; A530-L535 HydrophobicContact CB-CB 3.72Å; A530-A536 HydrophobicContact CB-CB 3.62Å; A530-G583 PolarHBondContact N-O 3.17Å | ||
| 531 | P | 76 | Confident | 86.3 | Confident | 29 Ų | 29 | 25.8 Ų | 25.8 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -68.2 | -29.7 | -169.4 | 25 | -37.3 | 0 | 0 | 0 | 113.3 | L535 D603 E604 R607 F608 | P531-L535 HydrophobicContact CG-CD1 3.67Å; P531-D603 WeakPolarHBondContact CD-O 3.5Å; P531-E604 HydrophobicContact CG-CB 4.06Å; P531-R607 HydrophobicContact CB-CB 3.74Å; P531-R607 HydrophobicContact CB-CG 4.29Å; P531-F608 HydrophobicContact CB-CE2 4.1Å; P531-F608 HydrophobicContact CB-CZ 4.17Å |
| 532 | T | 74.3 | Confident | 86 | Confident | 42 Ų | 42 | 27 Ų | 27 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -117.9 | 149.7 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 110.4 | A530 L534 L535 A536 | A530-T532 VanDerWaalsContact C-N 3.3Å; A530-T532 PolarHBondContact O-N 3.02Å; T532-L534 PolarHBondContact O-N 3.13Å; T532-L535 PolarHBondContact O-N 3.01Å; T532-L535 PolarHBondContact OG1-N 3.1Å; T532-A536 WeakPolarHBondContact O-CB 3.45Å; T532-A536 PolarHBondContact O-N 3.06Å |
| 533 | E | 75.8 | Confident | 86 | Confident | 44 Ų | 44 | 24.6 Ų | 24.6 | 21% | 0.206 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -33.8 | 175.8 | -67.9 | -178.1 | 168.9 | 0 | 0 | 111.7 | A536 E537 W556 A558 K560 T584 | E533-A536 PolarHBondContact O-N 3.22Å; E533-E537 VanDerWaalsContact O-CB 3.24Å; E533-E537 WeakPolarHBondContact O-CB 3.08Å; E533-E537 PolarHBondContact O-N 2.79Å; E533-W556 WeakPolarHBondContact O-CH2 3.44Å; E533-A558 HydrophobicContact CG-CB 4.1Å; E533-K560 VanDerWaalsContact OE1-CG 3.29Å; E533-K560 WeakPolarHBondContact OE1-CG 3.12Å; E533-K560 PolarHBondContact OE1-N 3.24Å; E533-K560 IonicContact OE1-NZ 2.7Å; E533-K560 VanDerWaalsContact OE2-CD 3.27Å; E533-K560 WeakPolarHBondContact OE2-CD 3.44Å; E533-K560 WeakPolarHBondContact OE2-CE 3.31Å; E533-K560 IonicContact OE2-NZ 3.09Å; E533-K560 PolarHBondContact OE2-NZ 2.98Å; E533-T584 HydrophobicContact CB-CG2 4.31Å; E533-T584 HydrophobicContact CG-CG2 3.74Å |
| 534 | L | 71 | Confident | 86.1 | Confident | 50 Ų | 50 | 25.5 Ų | 25.5 | 26% | 0.262 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 178.8 | -172.3 | 70.9 | 0 | 0 | 0 | 112 | T532 E537 Q538 V763 | T532-L534 PolarHBondContact O-N 3.13Å; L534-E537 PolarHBondContact O-N 3.13Å; L534-Q538 WeakPolarHBondContact O-CB 3.37Å; L534-Q538 PolarHBondContact O-N 2.65Å; L534-V763 HydrophobicContact CD1-CG2 4.49Å; L534-V763 HydrophobicContact CD2-CG2 3.73Å; L534-V763 HydrophobicContact CG-CG2 4.39Å |
| 535 | L | 78.2 | Confident | 86 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 176 | -84.6 | 171.2 | 0 | 0 | 0 | 111.9 | A530 P531 T532 E537 Q538 H539 V761 G762 | A530-L535 HydrophobicContact CB-CB 3.72Å; P531-L535 HydrophobicContact CG-CD1 3.67Å; T532-L535 PolarHBondContact O-N 3.01Å; T532-L535 PolarHBondContact OG1-N 3.1Å; L535-E537 VanDerWaalsContact C-N 3.28Å; L535-E537 PolarHBondContact O-N 3.08Å; L535-Q538 WeakPolarHBondContact O-CB 3.5Å; L535-Q538 PolarHBondContact O-N 2.81Å; L535-H539 PolarHBondContact O-CD2 2.73Å; L535-H539 PolarHBondContact O-N 3.13Å; L535-V761 HydrophobicContact CD1-CB 3.62Å; L535-V761 HydrophobicContact CD1-CG1 3.16Å; L535-V761 HydrophobicContact CD2-CB 4.35Å; L535-V761 HydrophobicContact CD2-CG1 3.94Å; L535-V761 HydrophobicContact CG-CB 3.96Å; L535-V761 HydrophobicContact CG-CG1 3.83Å; L535-G762 VanDerWaalsContact CD2-CA 3.49Å |
| 536 | A | 84.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A530 T532 E533 H539 A540 W556 V582 T584 | A530-A536 HydrophobicContact CB-CB 3.62Å; T532-A536 WeakPolarHBondContact O-CB 3.45Å; T532-A536 PolarHBondContact O-N 3.06Å; E533-A536 PolarHBondContact O-N 3.22Å; A536-H539 PolarHBondContact O-N 2.84Å; A536-A540 WeakPolarHBondContact O-CB 3.4Å; A536-A540 PolarHBondContact O-N 2.98Å; A536-W556 HydrophobicContact CB-CH2 3.44Å; A536-W556 VanDerWaalsContact CB-CH2 3.44Å; A536-W556 HydrophobicContact CB-CZ3 3.31Å; A536-W556 VanDerWaalsContact O-CZ3 3.24Å; A536-W556 WeakPolarHBondContact O-CZ3 3.45Å; A536-V582 HydrophobicContact CB-CG1 4.31Å; A536-V582 WeakPolarHBondContact O-CG1 3.13Å; A536-T584 HydrophobicContact CB-CG2 4.08Å |
| 537 | E | 82.8 | Confident | 85.8 | Confident | 63 Ų | 63 | 31.5 Ų | 31.5 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 172.8 | -179.1 | 177.3 | -165.7 | 0 | 0 | 111.7 | E533 L534 L535 H539 A540 N541 W556 Q739 | E533-E537 VanDerWaalsContact O-CB 3.24Å; E533-E537 WeakPolarHBondContact O-CB 3.08Å; E533-E537 PolarHBondContact O-N 2.79Å; L534-E537 PolarHBondContact O-N 3.13Å; L535-E537 VanDerWaalsContact C-N 3.28Å; L535-E537 PolarHBondContact O-N 3.08Å; E537-H539 VanDerWaalsContact C-N 3.34Å; E537-H539 PolarHBondContact O-N 3.4Å; E537-A540 PolarHBondContact O-N 2.97Å; E537-N541 PolarHBondContact O-N 3.41Å; E537-N541 PolarHBondContact O-ND2 3.28Å; E537-W556 HydrophobicContact CB-CH2 3.99Å; E537-W556 HydrophobicContact CB-CZ2 4.07Å; E537-W556 VanDerWaalsContact N-CZ3 3.32Å; E537-Q739 PolarHBondContact OE2-NE2 3.15Å |
| 538 | Q | 81.6 | Confident | 85.7 | Confident | 44 Ų | 44 | 34.8 Ų | 34.8 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.6 | -176.6 | -174.2 | -1.1 | 0 | 0 | 111.1 | L534 L535 N541 N542 G762 | L534-Q538 WeakPolarHBondContact O-CB 3.37Å; L534-Q538 PolarHBondContact O-N 2.65Å; L535-Q538 WeakPolarHBondContact O-CB 3.5Å; L535-Q538 PolarHBondContact O-N 2.81Å; Q538-N541 PolarHBondContact O-N 2.93Å; Q538-N542 VanDerWaalsContact O-CG 3.28Å; Q538-N542 PolarHBondContact O-N 3.48Å; Q538-N542 PolarHBondContact O-ND2 3.25Å; Q538-G762 VanDerWaalsContact OE1-C 3.3Å; Q538-G762 PolarHBondContact OE1-O 3.45Å; Q538-G762 VanDerWaalsContact OE1-O 3.08Å |
| 539 | H | 88.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -53.3 | 174 | -75.2 | -55.7 | 0 | 0 | 0 | 110.2 | L528 L535 A536 E537 N541 N542 F543 V582 D603 | L528-H539 HydrophobicContact CD2-CB 3.9Å; L535-H539 PolarHBondContact O-CD2 2.73Å; L535-H539 PolarHBondContact O-N 3.13Å; A536-H539 PolarHBondContact O-N 2.84Å; E537-H539 VanDerWaalsContact C-N 3.34Å; E537-H539 PolarHBondContact O-N 3.4Å; H539-N541 PolarHBondContact O-N 3.21Å; H539-N541 VanDerWaalsContact O-N 3.13Å; H539-N542 PolarHBondContact O-N 2.96Å; H539-F543 HydrophobicContact CB-CD2 4.09Å; H539-F543 HydrophobicContact CB-CE2 4.12Å; H539-F543 WeakPolarHBondContact O-CD2 3.13Å; H539-F543 PolarHBondContact O-N 3.01Å; H539-V582 HydrophobicContact CB-CG1 3.83Å; H539-D603 IonicContact CD2-OD2 2.8Å; H539-D603 IonicContact CE1-OD2 2.99Å; H539-D603 PolarHBondContact CE1-OD2 2.78Å; H539-D603 IonicContact NE2-OD2 3.89Å; H539-D603 PolarHBondContact NE2-OD2 3.43Å |
| 540 | A | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.6 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A536 E537 R544 W556 V582 | A536-A540 WeakPolarHBondContact O-CB 3.4Å; A536-A540 PolarHBondContact O-N 2.98Å; E537-A540 PolarHBondContact O-N 2.97Å; A540-R544 WeakPolarHBondContact O-CB 3.41Å; A540-R544 VanDerWaalsContact O-CG 3.22Å; A540-R544 WeakPolarHBondContact O-CG 3.36Å; A540-R544 PolarHBondContact O-N 3.18Å; A540-W556 HydrophobicContact CB-CE3 3.93Å; A540-W556 HydrophobicContact CB-CZ3 4.47Å; A540-V582 HydrophobicContact CB-CB 3.99Å; A540-V582 HydrophobicContact CB-CG1 4.15Å; A540-V582 HydrophobicContact CB-CG2 4.37Å |
| 541 | N | 87.7 | Confident | 86 | Confident | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 176.8 | -69.7 | -24.2 | 0 | 0 | 0 | 112.8 | E537 Q538 H539 R544 N545 | E537-N541 PolarHBondContact O-N 3.41Å; E537-N541 PolarHBondContact O-ND2 3.28Å; Q538-N541 PolarHBondContact O-N 2.93Å; H539-N541 PolarHBondContact O-N 3.21Å; H539-N541 VanDerWaalsContact O-N 3.13Å; N541-R544 PolarHBondContact O-N 3.36Å; N541-R544 PolarHBondContact OD1-NH1 2.92Å; N541-N545 WeakPolarHBondContact O-CB 3.38Å; N541-N545 PolarHBondContact O-N 2.73Å; N541-N545 PolarHBondContact O-ND2 3.13Å |
| 542 | N | 88.3 | Confident | 86.8 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -46.6 | 175.5 | -71.5 | -16.2 | 0 | 0 | 0 | 111.5 | Q538 H539 N545 W546 | Q538-N542 VanDerWaalsContact O-CG 3.28Å; Q538-N542 PolarHBondContact O-N 3.48Å; Q538-N542 PolarHBondContact O-ND2 3.25Å; H539-N542 PolarHBondContact O-N 2.96Å; N542-N545 PolarHBondContact O-N 3.24Å; N542-W546 PolarHBondContact O-N 3.19Å; N542-W546 VanDerWaalsContact O-N 3.14Å |
| 543 | F | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.8 | -78.6 | -80.8 | 0 | 0 | 0 | 111.1 | T509 A512 A513 L528 H539 N545 W546 F547 V554 M580 V582 | T509-F543 HydrophobicContact CG2-CE2 4.14Å; T509-F543 HydrophobicContact CG2-CZ 4.43Å; A512-F543 HydrophobicContact CB-CZ 4.38Å; A513-F543 HydrophobicContact CB-CD1 4.31Å; A513-F543 HydrophobicContact CB-CE1 3.68Å; A513-F543 HydrophobicContact CB-CZ 4.33Å; L528-F543 HydrophobicContact CD1-CE2 3.5Å; L528-F543 HydrophobicContact CD1-CZ 3.67Å; H539-F543 HydrophobicContact CB-CD2 4.09Å; H539-F543 HydrophobicContact CB-CE2 4.12Å; H539-F543 WeakPolarHBondContact O-CD2 3.13Å; H539-F543 PolarHBondContact O-N 3.01Å; F543-N545 VanDerWaalsContact C-N 3.33Å; F543-N545 PolarHBondContact O-N 2.97Å; F543-W546 PolarHBondContact O-N 3.41Å; F543-W546 VanDerWaalsContact O-N 3.15Å; F543-F547 HydrophobicContact CD1-CD2 4.15Å; F543-F547 HydrophobicContact CD1-CE1 4.26Å; F543-F547 AromaticContact CD1-CE2 3.59Å; F543-F547 HydrophobicContact CD1-CE2 3.59Å; F543-F547 AromaticContact CD1-CZ 3.65Å; F543-F547 HydrophobicContact CD1-CZ 3.65Å; F543-F547 HydrophobicContact CE1-CE2 4.22Å; F543-F547 HydrophobicContact CE1-CZ 4Å; F543-F547 WeakPolarHBondContact O-CB 3.39Å; F543-F547 WeakPolarHBondContact O-CG 3.39Å; F543-F547 PolarHBondContact O-N 3.34Å; F543-V554 HydrophobicContact CB-CG1 4.09Å; F543-V554 HydrophobicContact CB-CG2 4.22Å; F543-M580 HydrophobicContact CD1-CE 3.88Å; F543-M580 HydrophobicContact CD1-CG 4.3Å; F543-M580 HydrophobicContact CD1-SD 4.44Å; F543-M580 HydrophobicContact CD2-CE 4.11Å; F543-M580 HydrophobicContact CE1-CE 3.65Å; F543-M580 HydrophobicContact CE1-SD 4.46Å; F543-M580 HydrophobicContact CE2-CE 4.03Å; F543-M580 HydrophobicContact CG-CE 4.1Å; F543-M580 HydrophobicContact CG-CG 4.45Å; F543-M580 HydrophobicContact CZ-CE 3.79Å; F543-V582 HydrophobicContact CD2-CG2 4.29Å |
| 544 | R | 92.8 | Very high | 88.6 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 33% | 0.328 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.5 | -46.5 | 175 | -78.3 | 174.4 | -164.7 | 136.4 | -1 | 112.2 | A540 N541 W546 F547 A548 V554 W556 | A540-R544 WeakPolarHBondContact O-CB 3.41Å; A540-R544 VanDerWaalsContact O-CG 3.22Å; A540-R544 WeakPolarHBondContact O-CG 3.36Å; A540-R544 PolarHBondContact O-N 3.18Å; N541-R544 PolarHBondContact O-N 3.36Å; N541-R544 PolarHBondContact OD1-NH1 2.92Å; R544-W546 VanDerWaalsContact C-N 3.27Å; R544-W546 PolarHBondContact O-N 3.3Å; R544-F547 PolarHBondContact O-N 3.12Å; R544-A548 WeakPolarHBondContact O-CB 3.49Å; R544-A548 PolarHBondContact O-N 3.06Å; R544-V554 HydrophobicContact CG-CB 3.65Å; R544-V554 HydrophobicContact CG-CG1 4.13Å; R544-V554 HydrophobicContact CG-CG2 4.09Å; R544-W556 VanDerWaalsContact NH2-CB 3.34Å |
| 545 | N | 89.6 | Confident | 89.5 | Confident | 117 Ų | 117 | 42.9 Ų | 42.9 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.4 | -36.1 | 180 | -69.8 | -17.1 | 0 | 0 | 0 | 112.5 | N541 N542 F543 P549 | N541-N545 WeakPolarHBondContact O-CB 3.38Å; N541-N545 PolarHBondContact O-N 2.73Å; N541-N545 PolarHBondContact O-ND2 3.13Å; N542-N545 PolarHBondContact O-N 3.24Å; F543-N545 VanDerWaalsContact C-N 3.33Å; F543-N545 PolarHBondContact O-N 2.97Å; N545-P549 WeakPolarHBondContact O-CD 3.45Å |
| 546 | W | 92.2 | Very high | 90.1 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -83.6 | -33.3 | 178.6 | -68.7 | -22.1 | 0 | 0 | 0 | 113.9 | L467 T509 A513 N542 F543 R544 | L467-W546 HydrophobicContact CD1-CB 3.74Å; L467-W546 HydrophobicContact CD1-CG 4.08Å; T509-W546 HydrophobicContact CG2-CH2 4.2Å; T509-W546 HydrophobicContact CG2-CZ3 3.97Å; A513-W546 HydrophobicContact CB-CE3 3.83Å; A513-W546 HydrophobicContact CB-CZ3 3.9Å; N542-W546 PolarHBondContact O-N 3.19Å; N542-W546 VanDerWaalsContact O-N 3.14Å; F543-W546 PolarHBondContact O-N 3.41Å; F543-W546 VanDerWaalsContact O-N 3.15Å; R544-W546 VanDerWaalsContact C-N 3.27Å; R544-W546 PolarHBondContact O-N 3.3Å |
| 547 | F | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -98.8 | -27.5 | -168.4 | -75.1 | 8.2 | 0 | 0 | 0 | 113.3 | L467 A513 A516 L517 I520 F543 R544 L550 G551 I552 V554 M580 | L467-F547 HydrophobicContact CD2-CE1 4.34Å; A513-F547 HydrophobicContact CB-CE1 4.16Å; A513-F547 HydrophobicContact CB-CZ 4.2Å; A516-F547 HydrophobicContact CB-CE2 4.44Å; A516-F547 HydrophobicContact CB-CZ 4.24Å; L517-F547 HydrophobicContact CD1-CE1 4.18Å; L517-F547 HydrophobicContact CD2-CD1 4.02Å; L517-F547 HydrophobicContact CD2-CE1 3.55Å; L517-F547 HydrophobicContact CD2-CE2 4.32Å; L517-F547 HydrophobicContact CD2-CZ 3.71Å; L517-F547 HydrophobicContact CG-CE1 3.76Å; L517-F547 HydrophobicContact CG-CZ 3.9Å; I520-F547 HydrophobicContact CD1-CD2 4.42Å; I520-F547 HydrophobicContact CD1-CE2 3.91Å; F543-F547 HydrophobicContact CD1-CD2 4.15Å; F543-F547 HydrophobicContact CD1-CE1 4.26Å; F543-F547 AromaticContact CD1-CE2 3.59Å; F543-F547 HydrophobicContact CD1-CE2 3.59Å; F543-F547 AromaticContact CD1-CZ 3.65Å; F543-F547 HydrophobicContact CD1-CZ 3.65Å; F543-F547 HydrophobicContact CE1-CE2 4.22Å; F543-F547 HydrophobicContact CE1-CZ 4Å; F543-F547 WeakPolarHBondContact O-CB 3.39Å; F543-F547 WeakPolarHBondContact O-CG 3.39Å; F543-F547 PolarHBondContact O-N 3.34Å; R544-F547 PolarHBondContact O-N 3.12Å; F547-L550 HydrophobicContact CD1-CD1 4.33Å; F547-L550 CarbonylContact O-C 3.3Å; F547-L550 WeakPolarHBondContact O-CA 3.28Å; F547-L550 WeakPolarHBondContact O-CB 3.49Å; F547-L550 PolarHBondContact O-N 3.39Å; F547-G551 PolarHBondContact O-N 3.22Å; F547-I552 HydrophobicContact CB-CB 3.92Å; F547-I552 HydrophobicContact CB-CG2 4.07Å; F547-I552 HydrophobicContact CD2-CB 4.49Å; F547-I552 HydrophobicContact CD2-CG2 3.81Å; F547-I552 HydrophobicContact CG-CB 4.44Å; F547-I552 HydrophobicContact CG-CD1 4.46Å; F547-I552 HydrophobicContact CG-CG2 4.24Å; F547-I552 PolarHBondContact O-N 3.35Å; F547-I552 VanDerWaalsContact O-N 3.15Å; F547-V554 HydrophobicContact CB-CG2 4Å; F547-V554 HydrophobicContact CD2-CG2 4.07Å; F547-V554 HydrophobicContact CG-CG2 4.49Å; F547-M580 HydrophobicContact CD2-CB 4.15Å; F547-M580 HydrophobicContact CD2-CG 4.33Å; F547-M580 HydrophobicContact CE2-CB 4.16Å; F547-M580 HydrophobicContact CE2-CG 4.08Å; F547-M580 HydrophobicContact CE2-SD 4.36Å |
| 548 | A | 90.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 56% | 0.562 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -57.8 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R544 L550 G551 | R544-A548 WeakPolarHBondContact O-CB 3.49Å; R544-A548 PolarHBondContact O-N 3.06Å; A548-L550 PolarHBondContact O-N 3Å; A548-L550 VanDerWaalsContact O-N 3.14Å; A548-G551 PolarHBondContact O-N 2.81Å |
| 549 | P | 90.8 | Very high | 89.8 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 65% | 0.649 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -62.9 | -17.9 | 173.6 | -23 | 35 | 0 | 0 | 0 | 114.5 | N545 | N545-P549 WeakPolarHBondContact O-CD 3.45Š|
| 550 | L | 91.9 | Very high | 88.7 | Confident | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -93.7 | -2.8 | 178.1 | -54.8 | 176.1 | 0 | 0 | 0 | 112.6 | L463 K466 L467 L517 F547 A548 I552 | L463-L550 HydrophobicContact CD2-CB 4.48Å; K466-L550 HydrophobicContact CB-CD2 3.51Å; K466-L550 HydrophobicContact CD-CD2 4.23Å; L467-L550 HydrophobicContact CB-CD1 4.17Å; L517-L550 HydrophobicContact CD1-CD1 4.19Å; L517-L550 HydrophobicContact CD2-CD1 3.95Å; F547-L550 HydrophobicContact CD1-CD1 4.33Å; F547-L550 CarbonylContact O-C 3.3Å; F547-L550 WeakPolarHBondContact O-CA 3.28Å; F547-L550 WeakPolarHBondContact O-CB 3.49Å; F547-L550 PolarHBondContact O-N 3.39Å; A548-L550 PolarHBondContact O-N 3Å; A548-L550 VanDerWaalsContact O-N 3.14Å; L550-I552 HydrophobicContact CB-CD1 3.81Å; L550-I552 HydrophobicContact CB-CG1 4.14Å; L550-I552 HydrophobicContact CD1-CD1 4.13Å |
| 551 | G | 91.7 | Very high | 87.8 | Confident | 65 Ų | 65 | 48 Ų | 48 | 67% | 0.67 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 25.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F547 A548 | F547-G551 PolarHBondContact O-N 3.22Å; A548-G551 PolarHBondContact O-N 2.81Å |
| 552 | I | 93.2 | Very high | 87.1 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | trans | -105.5 | 127.7 | -178 | -62.2 | 165.1 | 0 | 0 | 0 | 109.1 | L463 L517 I520 F547 L550 Q579 | L463-I552 HydrophobicContact CD1-CD1 4.02Å; L463-I552 HydrophobicContact CD2-CD1 4.43Å; L517-I552 HydrophobicContact CD2-CD1 3.47Å; L517-I552 VanDerWaalsContact CD2-CD1 3.47Å; I520-I552 HydrophobicContact CD1-CG2 4.01Å; I520-I552 HydrophobicContact CG2-CD1 4.01Å; I520-I552 HydrophobicContact CG2-CG1 4.13Å; I520-I552 HydrophobicContact CG2-CG2 4.29Å; F547-I552 HydrophobicContact CB-CB 3.92Å; F547-I552 HydrophobicContact CB-CG2 4.07Å; F547-I552 HydrophobicContact CD2-CB 4.49Å; F547-I552 HydrophobicContact CD2-CG2 3.81Å; F547-I552 HydrophobicContact CG-CB 4.44Å; F547-I552 HydrophobicContact CG-CD1 4.46Å; F547-I552 HydrophobicContact CG-CG2 4.24Å; F547-I552 PolarHBondContact O-N 3.35Å; F547-I552 VanDerWaalsContact O-N 3.15Å; L550-I552 HydrophobicContact CB-CD1 3.81Å; L550-I552 HydrophobicContact CB-CG1 4.14Å; L550-I552 HydrophobicContact CD1-CD1 4.13Å; I552-Q579 HydrophobicContact CG2-CB 4.16Å | ||
| 553 | E | 93.6 | Very high | 86.6 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | trans | -87 | 134.3 | -179.7 | -73.9 | -66.4 | 165.8 | 0 | 0 | 111.4 | Q579 M580 | E553-Q579 PolarHBondContact O-N 3.49Å; E553-Q579 PolarHBondContact O-OE1 3.44Å; E553-M580 PolarHBondContact O-N 3.37Å | ||
| 554 | V | 94 | Very high | 86.2 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 109 | -177.9 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | F543 R544 F547 M580 V582 | F543-V554 HydrophobicContact CB-CG1 4.09Å; F543-V554 HydrophobicContact CB-CG2 4.22Å; R544-V554 HydrophobicContact CG-CB 3.65Å; R544-V554 HydrophobicContact CG-CG1 4.13Å; R544-V554 HydrophobicContact CG-CG2 4.09Å; F547-V554 HydrophobicContact CB-CG2 4Å; F547-V554 HydrophobicContact CD2-CG2 4.07Å; F547-V554 HydrophobicContact CG-CG2 4.49Å; V554-M580 CarbonylContact C-O 3.59Å; V554-M580 VanDerWaalsContact CA-O 3.31Å; V554-M580 WeakPolarHBondContact CA-O 3.35Å; V554-M580 HydrophobicContact CG1-CB 4.33Å; V554-M580 HydrophobicContact CG1-CG 4.13Å; V554-M580 HydrophobicContact CG2-CB 4.15Å; V554-M580 HydrophobicContact CG2-CG 4.47Å; V554-V582 HydrophobicContact CG1-CG2 4.07Å |
| 555 | G | 90.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 153.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M580 V582 | G555-M580 PolarHBondContact N-O 3.11Å; G555-V582 PolarHBondContact O-N 3Å |
| 556 | W | 89.4 | Confident | 85.6 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 15% | 0.148 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 119.9 | -179.9 | 170 | -122 | 0 | 0 | 0 | 110.5 | E533 A536 E537 A540 R544 A558 Q561 V582 | E533-W556 WeakPolarHBondContact O-CH2 3.44Å; A536-W556 HydrophobicContact CB-CH2 3.44Å; A536-W556 VanDerWaalsContact CB-CH2 3.44Å; A536-W556 HydrophobicContact CB-CZ3 3.31Å; A536-W556 VanDerWaalsContact O-CZ3 3.24Å; A536-W556 WeakPolarHBondContact O-CZ3 3.45Å; E537-W556 HydrophobicContact CB-CH2 3.99Å; E537-W556 HydrophobicContact CB-CZ2 4.07Å; E537-W556 VanDerWaalsContact N-CZ3 3.32Å; A540-W556 HydrophobicContact CB-CE3 3.93Å; A540-W556 HydrophobicContact CB-CZ3 4.47Å; R544-W556 VanDerWaalsContact NH2-CB 3.34Å; W556-A558 HydrophobicContact CH2-CB 4.18Å; W556-A558 HydrophobicContact CZ2-CB 3.53Å; W556-Q561 PolarHBondContact O-NE2 2.91Å; W556-Q561 PolarHBondContact O-OE1 2.92Å; W556-V582 WeakPolarHBondContact CA-O 3.44Å; W556-V582 HydrophobicContact CE3-CB 4.4Å; W556-V582 HydrophobicContact CE3-CG1 4.43Å; W556-V582 HydrophobicContact CZ3-CG1 4.25Å |
| 557 | L | 87.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 106.1 | 179.7 | -163 | 78.4 | 0 | 0 | 0 | 111.9 | R566 Q569 V582 G583 T584 A586 I587 V592 | L557-R566 HydrophobicContact CD1-CG 4.21Å; L557-Q569 HydrophobicContact CD1-CG 4.36Å; L557-V582 PolarHBondContact N-O 3.05Å; L557-G583 WeakPolarHBondContact O-CA 3.36Å; L557-T584 PolarHBondContact O-N 3.4Å; L557-A586 HydrophobicContact CD2-CB 4.23Å; L557-A586 HydrophobicContact CG-CB 4.18Å; L557-I587 HydrophobicContact CB-CG1 4.38Å; L557-I587 HydrophobicContact CD2-CG1 4.21Å; L557-V592 HydrophobicContact CD2-CG1 4.21Å; L557-V592 HydrophobicContact CD2-CG2 3.57Å |
| 558 | A | 81.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | trans | -121.1 | 152.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E533 W556 K560 Q561 | E533-A558 HydrophobicContact CG-CB 4.1Å; W556-A558 HydrophobicContact CH2-CB 4.18Å; W556-A558 HydrophobicContact CZ2-CB 3.53Å; A558-K560 PolarHBondContact O-N 2.87Å; A558-K560 VanDerWaalsContact O-N 3.1Å; A558-Q561 PolarHBondContact O-N 3.25Å | ||
| 559 | G | 73.4 | Confident | 85 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 560 | K | 67.2 | Low | 84.9 | Confident | 120 Ų | 120 | 56.8 Ų | 56.8 | 52% | 0.522 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14 | 179.4 | -72.7 | 179.3 | -164.6 | 134.1 | 0 | 116 | E533 A558 K562 P735 | E533-K560 VanDerWaalsContact OE1-CG 3.29Å; E533-K560 WeakPolarHBondContact OE1-CG 3.12Å; E533-K560 PolarHBondContact OE1-N 3.24Å; E533-K560 IonicContact OE1-NZ 2.7Å; E533-K560 VanDerWaalsContact OE2-CD 3.27Å; E533-K560 WeakPolarHBondContact OE2-CD 3.44Å; E533-K560 WeakPolarHBondContact OE2-CE 3.31Å; E533-K560 IonicContact OE2-NZ 3.09Å; E533-K560 PolarHBondContact OE2-NZ 2.98Å; A558-K560 PolarHBondContact O-N 2.87Å; A558-K560 VanDerWaalsContact O-N 3.1Å; K560-K562 PolarHBondContact O-N 3.43Å; K560-P735 HydrophobicContact CD-CB 4.5Å; K560-P735 HydrophobicContact CD-CG 4.1Å; K560-P735 VanDerWaalsContact CE-CG 3.47Å |
| 561 | Q | 70.4 | Confident | 84.9 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | trans | -68 | 118.4 | 175.3 | -72.5 | 175.8 | -27.2 | 0 | 0 | 109.3 | W556 A558 R566 | W556-Q561 PolarHBondContact O-NE2 2.91Å; W556-Q561 PolarHBondContact O-OE1 2.92Å; A558-Q561 PolarHBondContact O-N 3.25Å; Q561-R566 HydrophobicContact CB-CB 4.31Å; Q561-R566 WeakPolarHBondContact O-CD 3.29Å | ||
| 562 | K | 72.5 | Confident | 84.9 | Confident | 182 Ų | 182 | 59 Ų | 59 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | trans | -121 | 154.2 | 179.1 | -67.9 | -173.6 | -179.9 | -175.9 | 0 | 110.9 | K560 | K560-K562 PolarHBondContact O-N 3.43Š| ||
| 563 | G | 78.3 | Confident | 84.8 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -144.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A565 R566 L567 | G563-A565 VanDerWaalsContact C-N 3.32Å; G563-A565 PolarHBondContact O-N 3.31Å; G563-R566 PolarHBondContact O-N 2.99Å; G563-L567 PolarHBondContact O-N 2.81Å |
| 564 | K | 84.4 | Confident | 84.7 | Confident | 186 Ų | 186 | 55.1 Ų | 55.1 | 81% | 0.809 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.2 | -36.8 | -170.8 | -67.3 | -174.2 | 176.9 | -176.1 | 0 | 114.2 | R566 L567 A568 | K564-R566 VanDerWaalsContact C-N 3.33Å; K564-R566 PolarHBondContact O-N 3.49Å; K564-L567 PolarHBondContact O-N 3.38Å; K564-A568 WeakPolarHBondContact O-CB 3.5Å; K564-A568 PolarHBondContact O-N 3.33Å |
| 565 | A | 84.5 | Confident | 84.6 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 55% | 0.554 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G563 Q569 | G563-A565 VanDerWaalsContact C-N 3.32Å; G563-A565 PolarHBondContact O-N 3.31Å; A565-Q569 WeakPolarHBondContact O-CB 3.23Å; A565-Q569 PolarHBondContact O-N 2.88Å; A565-Q569 VanDerWaalsContact O-N 3.08Å |
| 566 | R | 85 | Confident | 84.5 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 177 | -172.2 | -174.5 | -174.5 | 127.1 | 4.3 | 111.3 | L557 Q561 G563 K564 Q569 Q570 Q589 | L557-R566 HydrophobicContact CD1-CG 4.21Å; Q561-R566 HydrophobicContact CB-CB 4.31Å; Q561-R566 WeakPolarHBondContact O-CD 3.29Å; G563-R566 PolarHBondContact O-N 2.99Å; K564-R566 VanDerWaalsContact C-N 3.33Å; K564-R566 PolarHBondContact O-N 3.49Å; R566-Q569 PolarHBondContact O-N 3.42Å; R566-Q570 HydrophobicContact CG-CG 4.47Å; R566-Q570 WeakPolarHBondContact O-CB 3.4Å; R566-Q570 WeakPolarHBondContact O-CG 3.17Å; R566-Q570 PolarHBondContact O-N 3.23Å; R566-Q589 VanDerWaalsContact NH2-CD 3.27Å |
| 567 | L | 86.7 | Confident | 84.6 | Confident | 95 Ų | 95 | 62.6 Ų | 62.6 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 178.1 | -70.6 | 169.7 | 0 | 0 | 0 | 111.2 | G563 K564 Q569 Q570 E571 | G563-L567 PolarHBondContact O-N 2.81Å; K564-L567 PolarHBondContact O-N 3.38Å; L567-Q569 VanDerWaalsContact C-N 3.27Å; L567-Q569 PolarHBondContact O-N 3Å; L567-Q570 WeakPolarHBondContact O-CB 3.43Å; L567-Q570 PolarHBondContact O-N 2.86Å; L567-Q570 VanDerWaalsContact O-N 3.12Å; L567-E571 WeakPolarHBondContact O-CG 3.47Å; L567-E571 PolarHBondContact O-N 3.46Å |
| 568 | A | 88.9 | Confident | 84.8 | Confident | 56 Ų | 56 | 63 Ų | 63 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K564 E571 A572 | K564-A568 WeakPolarHBondContact O-CB 3.5Å; K564-A568 PolarHBondContact O-N 3.33Å; A568-E571 PolarHBondContact O-N 3.22Å; A568-A572 WeakPolarHBondContact O-CB 3.41Å; A568-A572 PolarHBondContact O-N 3.25Å |
| 569 | Q | 88 | Confident | 85.4 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 176 | -169.3 | 62.9 | 47.5 | 0 | 0 | 112.2 | L557 A565 R566 L567 A572 I573 | L557-Q569 HydrophobicContact CD1-CG 4.36Å; A565-Q569 WeakPolarHBondContact O-CB 3.23Å; A565-Q569 PolarHBondContact O-N 2.88Å; A565-Q569 VanDerWaalsContact O-N 3.08Å; R566-Q569 PolarHBondContact O-N 3.42Å; L567-Q569 VanDerWaalsContact C-N 3.27Å; L567-Q569 PolarHBondContact O-N 3Å; Q569-A572 PolarHBondContact O-N 3.41Å; Q569-I573 HydrophobicContact CG-CD1 4.16Å; Q569-I573 WeakPolarHBondContact O-CD1 3.48Å; Q569-I573 WeakPolarHBondContact O-CG1 3.33Å; Q569-I573 PolarHBondContact O-N 2.73Å |
| 570 | Q | 89.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.6 | -76 | 170.5 | -39.3 | 0 | 0 | 111.3 | R566 L567 I573 A574 V592 | R566-Q570 HydrophobicContact CG-CG 4.47Å; R566-Q570 WeakPolarHBondContact O-CB 3.4Å; R566-Q570 WeakPolarHBondContact O-CG 3.17Å; R566-Q570 PolarHBondContact O-N 3.23Å; L567-Q570 WeakPolarHBondContact O-CB 3.43Å; L567-Q570 PolarHBondContact O-N 2.86Å; L567-Q570 VanDerWaalsContact O-N 3.12Å; Q570-I573 PolarHBondContact O-N 3Å; Q570-A574 VanDerWaalsContact O-CB 3.32Å; Q570-A574 WeakPolarHBondContact O-CB 3.41Å; Q570-A574 PolarHBondContact O-N 3.31Å; Q570-V592 HydrophobicContact CG-CG2 4.48Å |
| 571 | E | 90.8 | Very high | 87.8 | Confident | 133 Ų | 133 | 58.3 Ų | 58.3 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 174.2 | -72.4 | 171.2 | -177.9 | 0 | 0 | 111.8 | L567 A568 I573 A574 S575 | L567-E571 WeakPolarHBondContact O-CG 3.47Å; L567-E571 PolarHBondContact O-N 3.46Å; A568-E571 PolarHBondContact O-N 3.22Å; E571-I573 VanDerWaalsContact C-N 3.32Å; E571-I573 PolarHBondContact O-N 2.99Å; E571-A574 PolarHBondContact O-N 2.97Å; E571-S575 VanDerWaalsContact O-CB 3.31Å; E571-S575 WeakPolarHBondContact O-CB 3.31Å; E571-S575 PolarHBondContact O-N 2.92Å; E571-S575 PolarHBondContact O-OG 2.95Å; E571-S575 VanDerWaalsContact O-OG 3.09Å |
| 572 | A | 91.7 | Very high | 88.9 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -31.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A568 Q569 S575 G576 Q577 V578 | A568-A572 WeakPolarHBondContact O-CB 3.41Å; A568-A572 PolarHBondContact O-N 3.25Å; Q569-A572 PolarHBondContact O-N 3.41Å; A572-S575 PolarHBondContact O-OG 3.1Å; A572-G576 PolarHBondContact O-N 3.13Å; A572-Q577 HydrophobicContact CB-CB 4.45Å; A572-Q577 PolarHBondContact O-N 2.75Å; A572-Q577 VanDerWaalsContact O-N 3.11Å; A572-V578 HydrophobicContact CB-CG2 3.87Å; A572-V578 PolarHBondContact O-N 2.91Å |
| 573 | I | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.7 | -46.1 | 172.8 | -66 | 165.3 | 0 | 0 | 0 | 110 | Q525 Q569 Q570 E571 S575 G576 V578 I581 V592 F594 | Q525-I573 PolarHBondContact NE2-O 3.23Å; Q569-I573 HydrophobicContact CG-CD1 4.16Å; Q569-I573 WeakPolarHBondContact O-CD1 3.48Å; Q569-I573 WeakPolarHBondContact O-CG1 3.33Å; Q569-I573 PolarHBondContact O-N 2.73Å; Q570-I573 PolarHBondContact O-N 3Å; E571-I573 VanDerWaalsContact C-N 3.32Å; E571-I573 PolarHBondContact O-N 2.99Å; I573-S575 VanDerWaalsContact C-N 3.32Å; I573-S575 PolarHBondContact O-N 3.42Å; I573-G576 PolarHBondContact O-N 2.92Å; I573-G576 VanDerWaalsContact O-N 3.14Å; I573-V578 HydrophobicContact CG1-CB 4.43Å; I573-I581 HydrophobicContact CD1-CG1 3.97Å; I573-I581 HydrophobicContact CD1-CG2 3.94Å; I573-I581 HydrophobicContact CG1-CG1 3.77Å; I573-I581 HydrophobicContact CG2-CD1 4.4Å; I573-I581 HydrophobicContact CG2-CG1 4.13Å; I573-V592 HydrophobicContact CD1-CG1 4.46Å; I573-V592 HydrophobicContact CG2-CG1 4.49Å; I573-F594 HydrophobicContact CG2-CD1 3.6Å; I573-F594 HydrophobicContact CG2-CE1 3.89Å; I573-F594 HydrophobicContact CG2-CG 4.25Å |
| 574 | A | 90.7 | Very high | 90.1 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -32.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q570 E571 G576 L593 N595 | Q570-A574 VanDerWaalsContact O-CB 3.32Å; Q570-A574 WeakPolarHBondContact O-CB 3.41Å; Q570-A574 PolarHBondContact O-N 3.31Å; E571-A574 PolarHBondContact O-N 2.97Å; A574-G576 VanDerWaalsContact C-N 3.31Å; A574-L593 VanDerWaalsContact CA-O 3.31Å; A574-L593 WeakPolarHBondContact CA-O 3.46Å; A574-L593 HydrophobicContact CB-CB 4.45Å; A574-L593 PolarHBondContact N-O 3.14Å; A574-N595 WeakPolarHBondContact O-CB 3.25Å |
| 575 | S | 91.9 | Very high | 89.9 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 48% | 0.483 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.3 | 175.5 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | E571 A572 I573 Q577 N595 | E571-S575 VanDerWaalsContact O-CB 3.31Å; E571-S575 WeakPolarHBondContact O-CB 3.31Å; E571-S575 PolarHBondContact O-N 2.92Å; E571-S575 PolarHBondContact O-OG 2.95Å; E571-S575 VanDerWaalsContact O-OG 3.09Å; A572-S575 PolarHBondContact O-OG 3.1Å; I573-S575 VanDerWaalsContact C-N 3.32Å; I573-S575 PolarHBondContact O-N 3.42Å; S575-Q577 VanDerWaalsContact C-N 3.29Å; S575-Q577 PolarHBondContact OG-N 3.38Å; S575-N595 PolarHBondContact O-ND2 3.09Å |
| 576 | G | 89.6 | Confident | 89.8 | Confident | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 7.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | A572 I573 A574 V578 | A572-G576 PolarHBondContact O-N 3.13Å; I573-G576 PolarHBondContact O-N 2.92Å; I573-G576 VanDerWaalsContact O-N 3.14Å; A574-G576 VanDerWaalsContact C-N 3.31Å; G576-V578 PolarHBondContact O-N 3Å |
| 577 | Q | 91.5 | Very high | 89.8 | Confident | 121 Ų | 121 | 36.6 Ų | 36.6 | 57% | 0.565 | 21% | 0.206 | S | C | * | . | trans | -57.6 | -36.1 | 173.3 | -177.7 | -179.2 | 2.9 | 0 | 0 | 111.3 | A572 S575 Q579 | A572-Q577 HydrophobicContact CB-CB 4.45Å; A572-Q577 PolarHBondContact O-N 2.75Å; A572-Q577 VanDerWaalsContact O-N 3.11Å; S575-Q577 VanDerWaalsContact C-N 3.29Å; S575-Q577 PolarHBondContact OG-N 3.38Å; Q577-Q579 PolarHBondContact O-NE2 2.95Å; Q577-Q579 PolarHBondContact O-OE1 3.14Å | ||
| 578 | V | 92.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | trans | -96.9 | 121.4 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | Q525 A572 I573 G576 M580 I581 | Q525-V578 PolarHBondContact NE2-O 2.85Å; A572-V578 HydrophobicContact CB-CG2 3.87Å; A572-V578 PolarHBondContact O-N 2.91Å; I573-V578 HydrophobicContact CG1-CB 4.43Å; G576-V578 PolarHBondContact O-N 3Å; V578-M580 VanDerWaalsContact CG1-O 3.24Å; V578-M580 WeakPolarHBondContact CG1-O 3.48Å; V578-I581 HydrophobicContact CG1-CD1 4.16Å; V578-I581 HydrophobicContact CG1-CG1 3.95Å | ||
| 579 | Q | 94.5 | Very high | 89 | Confident | 49 Ų | 49 | 33.9 Ų | 33.9 | 23% | 0.229 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -95 | -29.7 | 179.5 | -53.5 | 78.3 | 15.1 | 0 | 0 | 112.6 | I520 Q525 V526 I552 E553 Q577 | I520-Q579 HydrophobicContact CB-CB 4.5Å; I520-Q579 HydrophobicContact CD1-CB 4.17Å; I520-Q579 HydrophobicContact CG1-CB 3.97Å; I520-Q579 HydrophobicContact CG2-CB 3.83Å; I520-Q579 HydrophobicContact CG2-CG 4.13Å; Q525-Q579 CarbonylContact C-O 3.59Å; Q525-Q579 VanDerWaalsContact CA-O 3.31Å; Q525-Q579 WeakPolarHBondContact CA-O 3.42Å; V526-Q579 PolarHBondContact N-O 3.41Å; I552-Q579 HydrophobicContact CG2-CB 4.16Å; E553-Q579 PolarHBondContact O-N 3.49Å; E553-Q579 PolarHBondContact O-OE1 3.44Å; Q577-Q579 PolarHBondContact O-NE2 2.95Å; Q577-Q579 PolarHBondContact O-OE1 3.14Å |
| 580 | M | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.3 | 176.6 | -177.7 | 67 | -173.9 | 0 | 0 | 110.2 | A516 I520 V526 L528 F543 F547 E553 V554 G555 V578 V582 | A516-M580 HydrophobicContact CB-SD 4.17Å; I520-M580 HydrophobicContact CD1-CB 4.3Å; V526-M580 HydrophobicContact CB-SD 3.76Å; V526-M580 HydrophobicContact CG1-CE 4.42Å; V526-M580 HydrophobicContact CG1-SD 3.78Å; L528-M580 HydrophobicContact CB-CE 3.45Å; L528-M580 VanDerWaalsContact CB-CE 3.45Å; L528-M580 HydrophobicContact CD1-CE 4.08Å; L528-M580 HydrophobicContact CG-CE 4.43Å; F543-M580 HydrophobicContact CD1-CE 3.88Å; F543-M580 HydrophobicContact CD1-CG 4.3Å; F543-M580 HydrophobicContact CD1-SD 4.44Å; F543-M580 HydrophobicContact CD2-CE 4.11Å; F543-M580 HydrophobicContact CE1-CE 3.65Å; F543-M580 HydrophobicContact CE1-SD 4.46Å; F543-M580 HydrophobicContact CE2-CE 4.03Å; F543-M580 HydrophobicContact CG-CE 4.1Å; F543-M580 HydrophobicContact CG-CG 4.45Å; F543-M580 HydrophobicContact CZ-CE 3.79Å; F547-M580 HydrophobicContact CD2-CB 4.15Å; F547-M580 HydrophobicContact CD2-CG 4.33Å; F547-M580 HydrophobicContact CE2-CB 4.16Å; F547-M580 HydrophobicContact CE2-CG 4.08Å; F547-M580 HydrophobicContact CE2-SD 4.36Å; E553-M580 PolarHBondContact O-N 3.37Å; V554-M580 CarbonylContact C-O 3.59Å; V554-M580 VanDerWaalsContact CA-O 3.31Å; V554-M580 WeakPolarHBondContact CA-O 3.35Å; V554-M580 HydrophobicContact CG1-CB 4.33Å; V554-M580 HydrophobicContact CG1-CG 4.13Å; V554-M580 HydrophobicContact CG2-CB 4.15Å; V554-M580 HydrophobicContact CG2-CG 4.47Å; G555-M580 PolarHBondContact N-O 3.11Å; V578-M580 VanDerWaalsContact CG1-O 3.24Å; V578-M580 WeakPolarHBondContact CG1-O 3.48Å; M580-V582 HydrophobicContact CE-CG2 3.89Å; M580-V582 HydrophobicContact CG-CG2 4.21Å |
| 581 | I | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.8 | 179 | -58.8 | 81.3 | 0 | 0 | 0 | 107.9 | Q525 V526 A527 L528 I573 V578 I587 F594 | Q525-I581 HydrophobicContact CB-CD1 4.04Å; Q525-I581 HydrophobicContact CG-CD1 4.38Å; V526-I581 WeakPolarHBondContact O-CD1 3.36Å; V526-I581 PolarHBondContact O-N 3.43Å; A527-I581 CarbonylContact C-O 2.83Å; A527-I581 WeakPolarHBondContact CA-O 3.33Å; L528-I581 PolarHBondContact N-O 3.1Å; I573-I581 HydrophobicContact CD1-CG1 3.97Å; I573-I581 HydrophobicContact CD1-CG2 3.94Å; I573-I581 HydrophobicContact CG1-CG1 3.77Å; I573-I581 HydrophobicContact CG2-CD1 4.4Å; I573-I581 HydrophobicContact CG2-CG1 4.13Å; V578-I581 HydrophobicContact CG1-CD1 4.16Å; V578-I581 HydrophobicContact CG1-CG1 3.95Å; I581-I587 HydrophobicContact CG2-CD1 4.27Å; I581-I587 HydrophobicContact CG2-CG1 4.46Å; I581-F594 HydrophobicContact CB-CE1 4.37Å; I581-F594 HydrophobicContact CD1-CD1 4.18Å; I581-F594 HydrophobicContact CD1-CE1 3.91Å; I581-F594 HydrophobicContact CG1-CE1 3.98Å |
| 582 | V | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.1 | 174.8 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | L528 A536 H539 A540 F543 V554 G555 W556 L557 M580 | L528-V582 HydrophobicContact CB-CG2 4.37Å; L528-V582 HydrophobicContact CD2-CG1 3.87Å; L528-V582 WeakPolarHBondContact O-CA 3.47Å; A536-V582 HydrophobicContact CB-CG1 4.31Å; A536-V582 WeakPolarHBondContact O-CG1 3.13Å; H539-V582 HydrophobicContact CB-CG1 3.83Å; A540-V582 HydrophobicContact CB-CB 3.99Å; A540-V582 HydrophobicContact CB-CG1 4.15Å; A540-V582 HydrophobicContact CB-CG2 4.37Å; F543-V582 HydrophobicContact CD2-CG2 4.29Å; V554-V582 HydrophobicContact CG1-CG2 4.07Å; G555-V582 PolarHBondContact O-N 3Å; W556-V582 WeakPolarHBondContact CA-O 3.44Å; W556-V582 HydrophobicContact CE3-CB 4.4Å; W556-V582 HydrophobicContact CE3-CG1 4.43Å; W556-V582 HydrophobicContact CZ3-CG1 4.25Å; L557-V582 PolarHBondContact N-O 3.05Å; M580-V582 HydrophobicContact CE-CG2 3.89Å; M580-V582 HydrophobicContact CG-CG2 4.21Å |
| 583 | G | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -174.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L528 M529 A530 L557 I587 | L528-G583 PolarHBondContact O-N 3.41Å; M529-G583 WeakPolarHBondContact CA-O 3.49Å; A530-G583 PolarHBondContact N-O 3.17Å; L557-G583 WeakPolarHBondContact O-CA 3.36Å; G583-I587 VanDerWaalsContact CA-CD1 3.48Å |
| 584 | T | 85.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -102.7 | -159.9 | 176.1 | 66 | 0 | 0 | 0 | 0 | 110.4 | M529 E533 A536 L557 A586 I587 | M529-T584 WeakPolarHBondContact CE-O 3.45Å; E533-T584 HydrophobicContact CB-CG2 4.31Å; E533-T584 HydrophobicContact CG-CG2 3.74Å; A536-T584 HydrophobicContact CB-CG2 4.08Å; L557-T584 PolarHBondContact O-N 3.4Å; T584-A586 PolarHBondContact O-N 3.17Å; T584-I587 WeakPolarHBondContact O-CG1 3.45Å; T584-I587 PolarHBondContact O-N 3.19Å; T584-I587 VanDerWaalsContact O-N 3.08Å |
| 585 | H | 81.1 | Confident | 87.2 | Confident | 100 Ų | 100 | 47.5 Ų | 47.5 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -52.7 | -14.3 | 174.9 | 67.8 | -90.3 | 0 | 0 | 0 | 114.8 | I587 F588 | H585-I587 PolarHBondContact O-N 2.93Å; H585-F588 VanDerWaalsContact CA-CD2 3.44Å; H585-F588 HydrophobicContact CB-CD2 3.9Å; H585-F588 HydrophobicContact CB-CE2 4.12Å; H585-F588 WeakPolarHBondContact O-CB 3.28Å; H585-F588 VanDerWaalsContact O-CD2 3.22Å; H585-F588 WeakPolarHBondContact O-CD2 3.47Å; H585-F588 PolarHBondContact O-N 2.91Å |
| 586 | A | 83.2 | Confident | 87 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -58.6 | -26.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L557 T584 F588 Q589 | L557-A586 HydrophobicContact CD2-CB 4.23Å; L557-A586 HydrophobicContact CG-CB 4.18Å; T584-A586 PolarHBondContact O-N 3.17Å; A586-F588 VanDerWaalsContact C-N 3.26Å; A586-F588 PolarHBondContact O-N 3.38Å; A586-Q589 PolarHBondContact O-N 2.92Å |
| 587 | I | 84.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -64 | -31.9 | 178.4 | -59.1 | 176.5 | 0 | 0 | 0 | 111.5 | A527 L528 M529 L557 I581 G583 T584 H585 Q589 F594 L616 K619 | A527-I587 HydrophobicContact CB-CG2 4.33Å; L528-I587 WeakPolarHBondContact O-CD1 3.5Å; M529-I587 HydrophobicContact CE-CB 4.16Å; M529-I587 HydrophobicContact CE-CD1 4.43Å; M529-I587 HydrophobicContact CG-CD1 4.09Å; M529-I587 HydrophobicContact SD-CB 4.45Å; L557-I587 HydrophobicContact CB-CG1 4.38Å; L557-I587 HydrophobicContact CD2-CG1 4.21Å; I581-I587 HydrophobicContact CG2-CD1 4.27Å; I581-I587 HydrophobicContact CG2-CG1 4.46Å; G583-I587 VanDerWaalsContact CA-CD1 3.48Å; T584-I587 WeakPolarHBondContact O-CG1 3.45Å; T584-I587 PolarHBondContact O-N 3.19Å; T584-I587 VanDerWaalsContact O-N 3.08Å; H585-I587 PolarHBondContact O-N 2.93Å; I587-Q589 VanDerWaalsContact C-N 3.28Å; I587-Q589 PolarHBondContact O-N 3.21Å; I587-F594 HydrophobicContact CG2-CE2 4.37Å; I587-F594 HydrophobicContact CG2-CZ 3.71Å; I587-L616 HydrophobicContact CG2-CD2 3.93Å; I587-K619 PolarHBondContact O-NZ 3.2Å |
| 588 | F | 77 | Confident | 87.2 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 10% | 0.101 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -70.3 | -22.1 | -178.8 | -57.7 | -63.9 | 0 | 0 | 0 | 114 | M529 H585 A586 E590 F608 Q612 A615 L616 K619 | M529-F588 HydrophobicContact CE-CD1 4.35Å; M529-F588 HydrophobicContact CE-CD2 3.72Å; M529-F588 HydrophobicContact CE-CE1 3.76Å; M529-F588 HydrophobicContact CE-CE2 3.02Å; M529-F588 HydrophobicContact CE-CG 4.31Å; M529-F588 HydrophobicContact CE-CZ 3.06Å; M529-F588 HydrophobicContact SD-CD1 4.08Å; M529-F588 HydrophobicContact SD-CD2 4.46Å; M529-F588 HydrophobicContact SD-CE1 3.23Å; M529-F588 WeakPolarHBondContact SD-CE1 3.36Å; M529-F588 HydrophobicContact SD-CE2 3.72Å; M529-F588 HydrophobicContact SD-CZ 3.02Å; M529-F588 WeakPolarHBondContact SD-CZ 3.2Å; H585-F588 VanDerWaalsContact CA-CD2 3.44Å; H585-F588 HydrophobicContact CB-CD2 3.9Å; H585-F588 HydrophobicContact CB-CE2 4.12Å; H585-F588 WeakPolarHBondContact O-CB 3.28Å; H585-F588 VanDerWaalsContact O-CD2 3.22Å; H585-F588 WeakPolarHBondContact O-CD2 3.47Å; H585-F588 PolarHBondContact O-N 2.91Å; A586-F588 VanDerWaalsContact C-N 3.26Å; A586-F588 PolarHBondContact O-N 3.38Å; F588-E590 PolarHBondContact O-N 2.7Å; F588-F608 HydrophobicContact CE2-CD1 4.1Å; F588-F608 HydrophobicContact CE2-CE1 4.25Å; F588-F608 HydrophobicContact CZ-CD1 4.3Å; F588-Q612 HydrophobicContact CD1-CB 4.25Å; F588-Q612 WeakPolarHBondContact CD1-O 3.35Å; F588-Q612 HydrophobicContact CD2-CB 3.94Å; F588-Q612 HydrophobicContact CD2-CG 4.21Å; F588-Q612 VanDerWaalsContact CE1-C 3.49Å; F588-Q612 HydrophobicContact CE1-CB 3.93Å; F588-Q612 WeakPolarHBondContact CE1-O 3.01Å; F588-Q612 HydrophobicContact CE2-CB 3.58Å; F588-Q612 HydrophobicContact CE2-CG 4.11Å; F588-Q612 HydrophobicContact CG-CB 4.28Å; F588-Q612 HydrophobicContact CZ-CB 3.57Å; F588-A615 HydrophobicContact CD1-CB 4.48Å; F588-L616 HydrophobicContact CD1-CD1 4.13Å; F588-L616 HydrophobicContact CD1-CD2 4.19Å; F588-L616 HydrophobicContact CD1-CG 3.56Å; F588-L616 HydrophobicContact CE1-CB 4.41Å; F588-L616 HydrophobicContact CE1-CD1 3.64Å; F588-L616 HydrophobicContact CE1-CG 3.53Å; F588-K619 WeakPolarHBondContact O-CE 3.5Å; F588-K619 PolarHBondContact O-NZ 2.91Å |
| 589 | Q | 80.4 | Confident | 87.2 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -59.4 | 135.7 | -172.2 | -64.8 | -173.8 | 0.6 | 0 | 0 | 111 | R566 A586 I587 Q591 V592 K619 | R566-Q589 VanDerWaalsContact NH2-CD 3.27Å; A586-Q589 PolarHBondContact O-N 2.92Å; I587-Q589 VanDerWaalsContact C-N 3.28Å; I587-Q589 PolarHBondContact O-N 3.21Å; Q589-Q591 PolarHBondContact O-N 2.93Å; Q589-V592 PolarHBondContact O-N 3.48Å; Q589-K619 PolarHBondContact O-NZ 3.09Å |
| 590 | E | 76 | Confident | 87.1 | Confident | 178 Ų | 178 | 35 Ų | 35 | 83% | 0.832 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -34.4 | -175 | -66.5 | 178.5 | 173.6 | 0 | 0 | 113.2 | F588 V592 | F588-E590 PolarHBondContact O-N 2.7Å; E590-V592 PolarHBondContact O-N 2.8Å; E590-V592 VanDerWaalsContact O-N 3.15Å |
| 591 | Q | 80.6 | Confident | 87 | Confident | 137 Ų | 137 | 35 Ų | 35 | 64% | 0.64 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.5 | -179.6 | -59.1 | 177.6 | 4.1 | 0 | 0 | 114.8 | Q589 L593 | Q589-Q591 PolarHBondContact O-N 2.93Å; Q591-L593 PolarHBondContact O-N 2.66Å |
| 592 | V | 85 | Confident | 86.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | trans | -89.3 | 99.8 | 179.4 | -176 | 0 | 0 | 0 | 0 | 108.8 | L557 Q570 I573 Q589 E590 F594 K619 | L557-V592 HydrophobicContact CD2-CG1 4.21Å; L557-V592 HydrophobicContact CD2-CG2 3.57Å; Q570-V592 HydrophobicContact CG-CG2 4.48Å; I573-V592 HydrophobicContact CD1-CG1 4.46Å; I573-V592 HydrophobicContact CG2-CG1 4.49Å; Q589-V592 PolarHBondContact O-N 3.48Å; E590-V592 PolarHBondContact O-N 2.8Å; E590-V592 VanDerWaalsContact O-N 3.15Å; V592-F594 HydrophobicContact CG1-CE2 4.11Å; V592-F594 HydrophobicContact CG1-CZ 4.14Å; V592-K619 PolarHBondContact O-NZ 3.39Å | ||
| 593 | L | 87 | Confident | 86.3 | Confident | 98 Ų | 98 | 35.7 Ų | 35.7 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | trans | -95.8 | 130.8 | 177.5 | -58.4 | 175.8 | 0 | 0 | 0 | 110.1 | A574 Q591 | A574-L593 VanDerWaalsContact CA-O 3.31Å; A574-L593 WeakPolarHBondContact CA-O 3.46Å; A574-L593 HydrophobicContact CB-CB 4.45Å; A574-L593 PolarHBondContact N-O 3.14Å; Q591-L593 PolarHBondContact O-N 2.66Å | ||
| 594 | F | 89.4 | Confident | 85.6 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | trans | -97.4 | 155.2 | 176.6 | -66.9 | -87.8 | 0 | 0 | 0 | 110.6 | A527 I573 I581 I587 V592 L597 L616 K619 Q623 | A527-F594 HydrophobicContact CB-CE1 4.3Å; A527-F594 HydrophobicContact CB-CZ 4.24Å; I573-F594 HydrophobicContact CG2-CD1 3.6Å; I573-F594 HydrophobicContact CG2-CE1 3.89Å; I573-F594 HydrophobicContact CG2-CG 4.25Å; I581-F594 HydrophobicContact CB-CE1 4.37Å; I581-F594 HydrophobicContact CD1-CD1 4.18Å; I581-F594 HydrophobicContact CD1-CE1 3.91Å; I581-F594 HydrophobicContact CG1-CE1 3.98Å; I587-F594 HydrophobicContact CG2-CE2 4.37Å; I587-F594 HydrophobicContact CG2-CZ 3.71Å; V592-F594 HydrophobicContact CG1-CE2 4.11Å; V592-F594 HydrophobicContact CG1-CZ 4.14Å; F594-L597 HydrophobicContact CB-CB 3.97Å; F594-L597 HydrophobicContact CD1-CB 4.33Å; F594-L597 HydrophobicContact CD1-CD1 4.3Å; F594-L597 HydrophobicContact CD2-CB 4.36Å; F594-L597 HydrophobicContact CD2-CD2 4.03Å; F594-L597 HydrophobicContact CE1-CD1 4.26Å; F594-L597 HydrophobicContact CE2-CD2 3.99Å; F594-L597 HydrophobicContact CG-CB 3.98Å; F594-L597 HydrophobicContact CG-CD2 4.37Å; F594-L597 HydrophobicContact CZ-CD2 4.3Å; F594-L616 HydrophobicContact CE2-CD2 4.38Å; F594-K619 HydrophobicContact CD2-CD 4.26Å; F594-K619 HydrophobicContact CE2-CD 4.02Å; F594-Q623 VanDerWaalsContact C-NE2 3.33Å; F594-Q623 PolarHBondContact O-NE2 3.08Å | ||
| 595 | N | 87.4 | Confident | 84.6 | Confident | 99 Ų | 99 | 36.5 Ų | 36.5 | 53% | 0.529 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -91.9 | -4.4 | 172.3 | -162 | 12.8 | 0 | 0 | 0 | 113.1 | A574 S575 | A574-N595 WeakPolarHBondContact O-CB 3.25Å; S575-N595 PolarHBondContact O-ND2 3.09Å |
| 596 | G | 88.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | 166.7 | 66.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K524 Q525 A598 | K524-G596 WeakPolarHBondContact CB-O 3.43Å; Q525-G596 PolarHBondContact N-O 3.48Å; G596-A598 PolarHBondContact O-N 3.17Å | ||
| 597 | L | 91.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 103.6 | -173.7 | -179.5 | 63.1 | 0 | 0 | 0 | 110.7 | A527 F594 V600 L616 F625 P627 | A527-L597 HydrophobicContact CB-CD1 3.75Å; F594-L597 HydrophobicContact CB-CB 3.97Å; F594-L597 HydrophobicContact CD1-CB 4.33Å; F594-L597 HydrophobicContact CD1-CD1 4.3Å; F594-L597 HydrophobicContact CD2-CB 4.36Å; F594-L597 HydrophobicContact CD2-CD2 4.03Å; F594-L597 HydrophobicContact CE1-CD1 4.26Å; F594-L597 HydrophobicContact CE2-CD2 3.99Å; F594-L597 HydrophobicContact CG-CB 3.98Å; F594-L597 HydrophobicContact CG-CD2 4.37Å; F594-L597 HydrophobicContact CZ-CD2 4.3Å; L597-V600 HydrophobicContact CD1-CG2 4.27Å; L597-V600 HydrophobicContact CD2-CG2 3.89Å; L597-V600 HydrophobicContact CG-CG2 4.19Å; L597-L616 HydrophobicContact CD2-CD2 4.33Å; L597-F625 WeakPolarHBondContact O-CE2 3.32Å; L597-P627 HydrophobicContact CG-CB 4.29Å |
| 598 | A | 92.3 | Very high | 81.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -25.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L457 A519 K524 Q525 G596 P627 H628 | L457-A598 HydrophobicContact CD1-CB 4.49Å; A519-A598 HydrophobicContact CB-CB 4.34Å; K524-A598 HydrophobicContact CB-CB 3.51Å; K524-A598 HydrophobicContact CG-CB 3.91Å; Q525-A598 PolarHBondContact O-N 3.15Å; G596-A598 PolarHBondContact O-N 3.17Å; A598-P627 WeakPolarHBondContact O-CA 3.33Å; A598-H628 PolarHBondContact O-CD2 3.02Å; A598-H628 VanDerWaalsContact O-CD2 3.27Å; A598-H628 PolarHBondContact O-N 3.38Å |
| 599 | L | 93.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.6 | -179.1 | 178.2 | 66.3 | 0 | 0 | 0 | 111 | L490 M496 A515 A519 V526 A527 I601 H628 L630 | L490-L599 HydrophobicContact CD2-CD1 4.31Å; M496-L599 HydrophobicContact CE-CD1 4.07Å; A515-L599 HydrophobicContact CB-CD2 4.11Å; A519-L599 HydrophobicContact CB-CB 4.22Å; V526-L599 VanDerWaalsContact CA-O 3.31Å; V526-L599 WeakPolarHBondContact CA-O 3.19Å; V526-L599 HydrophobicContact CG1-CB 4.12Å; V526-L599 HydrophobicContact CG1-CD2 4.05Å; V526-L599 HydrophobicContact CG1-CG 4.11Å; V526-L599 HydrophobicContact CG2-CB 4.16Å; A527-L599 PolarHBondContact N-O 2.86Å; L599-I601 HydrophobicContact CD2-CD1 4.03Å; L599-I601 HydrophobicContact CD2-CG1 4.08Å; L599-I601 HydrophobicContact CG-CD1 4.47Å; L599-I601 HydrophobicContact CG-CG1 4Å; L599-H628 CarbonylContact C-O 3.58Å; L599-H628 WeakPolarHBondContact CA-O 3.29Å; L599-H628 HydrophobicContact CD1-CB 3.82Å; L599-L630 HydrophobicContact CD1-CB 4.21Å |
| 600 | V | 92.1 | Very high | 79 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.2 | 172.8 | 173 | 0 | 0 | 0 | 0 | 108.3 | A527 L597 I602 L616 P627 H628 Q629 L630 | A527-V600 CarbonylContact O-C 3.46Å; A527-V600 WeakPolarHBondContact O-CA 3.5Å; L597-V600 HydrophobicContact CD1-CG2 4.27Å; L597-V600 HydrophobicContact CD2-CG2 3.89Å; L597-V600 HydrophobicContact CG-CG2 4.19Å; V600-I602 HydrophobicContact CG1-CD1 4.31Å; V600-I602 HydrophobicContact CG1-CG1 3.94Å; V600-L616 HydrophobicContact CB-CD1 4.37Å; V600-L616 HydrophobicContact CG1-CD1 3.42Å; V600-L616 VanDerWaalsContact CG1-CD1 3.42Å; V600-L616 HydrophobicContact CG2-CB 4.19Å; V600-L616 HydrophobicContact CG2-CD1 3.98Å; V600-P627 HydrophobicContact CG2-CB 4Å; V600-P627 HydrophobicContact CG2-CG 4.07Å; V600-H628 PolarHBondContact N-O 3.14Å; V600-Q629 CarbonylContact O-C 3.52Å; V600-Q629 WeakPolarHBondContact O-CA 3.43Å; V600-L630 PolarHBondContact O-N 2.97Å |
| 601 | I | 93.2 | Very high | 78 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.7 | 178.1 | -53.9 | 178.4 | 0 | 0 | 0 | 108.1 | A512 A516 V526 A527 L528 M529 L599 L630 M632 | A512-I601 HydrophobicContact CB-CD1 3.97Å; A512-I601 HydrophobicContact CB-CG2 4.12Å; A516-I601 HydrophobicContact CB-CD1 4.34Å; V526-I601 HydrophobicContact CG1-CD1 3.91Å; V526-I601 HydrophobicContact CG1-CG1 4.18Å; A527-I601 PolarHBondContact O-N 3.35Å; L528-I601 CarbonylContact C-O 3.55Å; L528-I601 WeakPolarHBondContact CA-O 3.12Å; L528-I601 HydrophobicContact CB-CB 4.24Å; L528-I601 HydrophobicContact CD1-CB 4.25Å; L528-I601 HydrophobicContact CD1-CG2 3.93Å; L528-I601 HydrophobicContact CG-CB 4.16Å; L528-I601 HydrophobicContact CG-CG2 4.15Å; M529-I601 PolarHBondContact N-O 3Å; L599-I601 HydrophobicContact CD2-CD1 4.03Å; L599-I601 HydrophobicContact CD2-CG1 4.08Å; L599-I601 HydrophobicContact CG-CD1 4.47Å; L599-I601 HydrophobicContact CG-CG1 4Å; I601-L630 CarbonylContact C-O 3.55Å; I601-L630 VanDerWaalsContact CA-O 3.24Å; I601-L630 WeakPolarHBondContact CA-O 3.33Å; I601-L630 HydrophobicContact CD1-CD2 4.46Å; I601-L630 HydrophobicContact CG1-CB 4.26Å; I601-L630 HydrophobicContact CG1-CD2 4.34Å; I601-L630 HydrophobicContact CG2-CD2 4.42Å; I601-M632 HydrophobicContact CG2-CE 3.66Å; I601-M632 HydrophobicContact CG2-SD 4.29Å |
| 602 | I | 88.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.3 | -179.8 | -55.3 | 175.6 | 0 | 0 | 0 | 108.5 | V600 Q605 F608 R613 L630 I631 M632 | V600-I602 HydrophobicContact CG1-CD1 4.31Å; V600-I602 HydrophobicContact CG1-CG1 3.94Å; I602-Q605 HydrophobicContact CG2-CB 4.15Å; I602-F608 HydrophobicContact CG2-CD2 3.82Å; I602-F608 HydrophobicContact CG2-CE2 3.99Å; I602-R613 HydrophobicContact CD1-CG 4.02Å; I602-L630 PolarHBondContact N-O 3.19Å; I602-I631 HydrophobicContact CB-CG1 4.42Å; I602-I631 CarbonylContact O-C 3.58Å; I602-I631 WeakPolarHBondContact O-CA 3.41Å; I602-M632 PolarHBondContact O-N 3.33Å |
| 603 | D | 85.7 | Confident | 76.1 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.3 | 174.8 | -162.2 | 22.8 | 0 | 0 | 0 | 110.5 | M529 P531 H539 F608 M632 | M529-D603 PolarHBondContact O-N 3.43Å; P531-D603 WeakPolarHBondContact CD-O 3.5Å; H539-D603 IonicContact CD2-OD2 2.8Å; H539-D603 IonicContact CE1-OD2 2.99Å; H539-D603 PolarHBondContact CE1-OD2 2.78Å; H539-D603 IonicContact NE2-OD2 3.89Å; H539-D603 PolarHBondContact NE2-OD2 3.43Å; D603-F608 WeakPolarHBondContact O-CE2 3.48Å; D603-M632 HydrophobicContact CB-CE 3.93Å |
| 604 | E | 74 | Confident | 75.1 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 54.9 | 56.7 | -178.5 | -57.7 | -60.1 | 164.5 | 0 | 0 | 113.7 | P531 H606 R607 M632 A634 | P531-E604 HydrophobicContact CG-CB 4.06Å; E604-H606 PolarHBondContact O-N 3.23Å; E604-H606 IonicContact OE2-CE1 3.43Å; E604-H606 PolarHBondContact OE2-CE1 2.94Å; E604-H606 IonicContact OE2-ND1 3.78Å; E604-R607 PolarHBondContact O-N 3.45Å; E604-M632 PolarHBondContact N-O 3.41Å; E604-A634 WeakPolarHBondContact OE1-CB 3.2Å; E604-A634 PolarHBondContact OE1-N 2.77Å |
| 605 | Q | 64.5 | Low | 74.2 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -52.4 | -28.8 | -171.8 | 62.4 | 159.4 | -17.6 | 0 | 0 | 116 | I602 R607 F608 I631 | I602-Q605 HydrophobicContact CG2-CB 4.15Å; Q605-R607 PolarHBondContact O-N 2.9Å; Q605-F608 PolarHBondContact O-N 3.39Å; Q605-I631 HydrophobicContact CB-CG2 3.64Å; Q605-I631 HydrophobicContact CG-CG2 3.61Å |
| 606 | H | 61.8 | Low | 73.4 | Confident | 97 Ų | 97 | 32.5 Ų | 32.5 | 45% | 0.449 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -64.2 | -9.8 | -174.4 | 61.6 | -93.8 | 0 | 0 | 0 | 113.3 | E604 | E604-H606 PolarHBondContact O-N 3.23Å; E604-H606 IonicContact OE2-CE1 3.43Å; E604-H606 PolarHBondContact OE2-CE1 2.94Å; E604-H606 IonicContact OE2-ND1 3.78Å |
| 607 | R | 57.3 | Low | 72.7 | Confident | 113 Ų | 113 | 34.6 Ų | 34.6 | 43% | 0.426 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -96.3 | -3.5 | 174.1 | -62 | -160 | -176.6 | -152.3 | 2.6 | 114.5 | P531 E604 Q605 E760 | P531-R607 HydrophobicContact CB-CB 3.74Å; P531-R607 HydrophobicContact CB-CG 4.29Å; E604-R607 PolarHBondContact O-N 3.45Å; Q605-R607 PolarHBondContact O-N 2.9Å; R607-E760 IonicContact NH2-OE2 2.62Å; R607-E760 PolarHBondContact NH2-OE2 2.81Å |
| 608 | F | 60 | Low | 71.9 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -106.1 | 137.6 | -179.8 | -66.3 | -81.7 | 0 | 0 | 0 | 111.3 | M529 P531 F588 I602 D603 Q605 | M529-F608 HydrophobicContact CB-CZ 4.18Å; M529-F608 HydrophobicContact CE-CE1 4.09Å; P531-F608 HydrophobicContact CB-CE2 4.1Å; P531-F608 HydrophobicContact CB-CZ 4.17Å; F588-F608 HydrophobicContact CE2-CD1 4.1Å; F588-F608 HydrophobicContact CE2-CE1 4.25Å; F588-F608 HydrophobicContact CZ-CD1 4.3Å; I602-F608 HydrophobicContact CG2-CD2 3.82Å; I602-F608 HydrophobicContact CG2-CE2 3.99Å; D603-F608 WeakPolarHBondContact O-CE2 3.48Å; Q605-F608 PolarHBondContact O-N 3.39Å |
| 609 | G | 54.5 | Low | 71 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 37% | 0.371 | 20% | 0.197 | S | C | . | . | trans | -74.3 | 151.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H611 Q612 | G609-H611 PolarHBondContact O-N 2.83Å; G609-Q612 VanDerWaalsContact N-OE1 3.17Å; G609-Q612 VanDerWaalsContact O-CB 3.32Å; G609-Q612 WeakPolarHBondContact O-CB 3.3Å; G609-Q612 PolarHBondContact O-N 3.47Å | ||
| 610 | V | 55.5 | Low | 69.8 | Low | 42 Ų | 42 | 40.5 Ų | 40.5 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.3 | -48 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | Q612 R613 L614 A899 | V610-Q612 PolarHBondContact O-N 3.1Å; V610-R613 WeakPolarHBondContact O-CB 3.19Å; V610-R613 PolarHBondContact O-N 3.09Å; V610-L614 PolarHBondContact O-N 3.07Å; V610-A899 HydrophobicContact CG1-CB 3.37Å; V610-A899 WeakPolarHBondContact CG1-O 3.33Å |
| 611 | H | 54.9 | Low | 68.8 | Low | 157 Ų | 157 | 45.8 Ų | 45.8 | 73% | 0.727 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -54 | -30.5 | 176.4 | -71.2 | -65 | 0 | 0 | 0 | 114.7 | G609 A615 | G609-H611 PolarHBondContact O-N 2.83Å; H611-A615 PolarHBondContact O-N 3Å |
| 612 | Q | 62.7 | Low | 67.5 | Low | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.8 | -38.4 | -179.6 | -63.8 | 174.7 | -16.2 | 0 | 0 | 110.5 | F588 G609 V610 A615 | F588-Q612 HydrophobicContact CD1-CB 4.25Å; F588-Q612 WeakPolarHBondContact CD1-O 3.35Å; F588-Q612 HydrophobicContact CD2-CB 3.94Å; F588-Q612 HydrophobicContact CD2-CG 4.21Å; F588-Q612 VanDerWaalsContact CE1-C 3.49Å; F588-Q612 HydrophobicContact CE1-CB 3.93Å; F588-Q612 WeakPolarHBondContact CE1-O 3.01Å; F588-Q612 HydrophobicContact CE2-CB 3.58Å; F588-Q612 HydrophobicContact CE2-CG 4.11Å; F588-Q612 HydrophobicContact CG-CB 4.28Å; F588-Q612 HydrophobicContact CZ-CB 3.57Å; G609-Q612 VanDerWaalsContact N-OE1 3.17Å; G609-Q612 VanDerWaalsContact O-CB 3.32Å; G609-Q612 WeakPolarHBondContact O-CB 3.3Å; G609-Q612 PolarHBondContact O-N 3.47Å; V610-Q612 PolarHBondContact O-N 3.1Å; Q612-A615 PolarHBondContact O-N 3.19Å |
| 613 | R | 64.5 | Low | 66.7 | Low | 52 Ų | 52 | 55.7 Ų | 55.7 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 178.6 | -59.1 | -173.8 | -62.3 | -176.4 | 6.4 | 111.6 | I602 V610 A615 L616 W617 | I602-R613 HydrophobicContact CD1-CG 4.02Å; V610-R613 WeakPolarHBondContact O-CB 3.19Å; V610-R613 PolarHBondContact O-N 3.09Å; R613-A615 VanDerWaalsContact C-N 3.32Å; R613-A615 PolarHBondContact O-N 3.38Å; R613-L616 PolarHBondContact O-N 3.05Å; R613-W617 PolarHBondContact O-N 2.91Å |
| 614 | L | 65.7 | Low | 66.4 | Low | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 174.8 | -64.6 | 175.9 | 0 | 0 | 0 | 112.3 | V610 L616 W617 E618 N898 A899 | V610-L614 PolarHBondContact O-N 3.07Å; L614-L616 PolarHBondContact O-N 3.23Å; L614-W617 HydrophobicContact CD2-CE3 4.42Å; L614-W617 CarbonylContact O-C 3.5Å; L614-W617 WeakPolarHBondContact O-CA 3.31Å; L614-W617 WeakPolarHBondContact O-CB 3.36Å; L614-W617 PolarHBondContact O-N 3.33Å; L614-E618 WeakPolarHBondContact O-CG 3.42Å; L614-E618 PolarHBondContact O-N 3.47Å; L614-N898 WeakPolarHBondContact CD1-O 3.39Å; L614-N898 WeakPolarHBondContact CD2-O 3.44Å; L614-A899 WeakPolarHBondContact CD2-O 3.39Å; L614-A899 WeakPolarHBondContact CG-O 3.46Å |
| 615 | A | 69.2 | Low | 66.8 | Low | 27 Ų | 27 | 58.5 Ų | 58.5 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -33.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | F588 H611 Q612 R613 K619 | F588-A615 HydrophobicContact CD1-CB 4.48Å; H611-A615 PolarHBondContact O-N 3Å; Q612-A615 PolarHBondContact O-N 3.19Å; R613-A615 VanDerWaalsContact C-N 3.32Å; R613-A615 PolarHBondContact O-N 3.38Å; A615-K619 VanDerWaalsContact O-CG 3.3Å; A615-K619 WeakPolarHBondContact O-CG 3.47Å; A615-K619 PolarHBondContact O-N 3.2Å |
| 616 | L | 71.4 | Confident | 67.8 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.3 | -35.8 | 172.4 | -82.2 | -174.1 | 0 | 0 | 0 | 113 | M529 I587 F588 F594 L597 V600 R613 L614 K619 | M529-L616 HydrophobicContact CG-CD1 4.11Å; M529-L616 HydrophobicContact SD-CD1 3.3Å; M529-L616 WeakPolarHBondContact SD-CD1 3.32Å; M529-L616 HydrophobicContact SD-CG 4.28Å; I587-L616 HydrophobicContact CG2-CD2 3.93Å; F588-L616 HydrophobicContact CD1-CD1 4.13Å; F588-L616 HydrophobicContact CD1-CD2 4.19Å; F588-L616 HydrophobicContact CD1-CG 3.56Å; F588-L616 HydrophobicContact CE1-CB 4.41Å; F588-L616 HydrophobicContact CE1-CD1 3.64Å; F588-L616 HydrophobicContact CE1-CG 3.53Å; F594-L616 HydrophobicContact CE2-CD2 4.38Å; L597-L616 HydrophobicContact CD2-CD2 4.33Å; V600-L616 HydrophobicContact CB-CD1 4.37Å; V600-L616 HydrophobicContact CG1-CD1 3.42Å; V600-L616 VanDerWaalsContact CG1-CD1 3.42Å; V600-L616 HydrophobicContact CG2-CB 4.19Å; V600-L616 HydrophobicContact CG2-CD1 3.98Å; R613-L616 PolarHBondContact O-N 3.05Å; L614-L616 PolarHBondContact O-N 3.23Å; L616-K619 HydrophobicContact CD2-CD 4.25Å; L616-K619 PolarHBondContact O-N 2.86Å |
| 617 | W | 74.3 | Confident | 69.1 | Low | 47 Ų | 47 | 54.1 Ų | 54.1 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 179.2 | -162 | 47.5 | 0 | 0 | 0 | 111.2 | F452 R613 L614 K619 G620 H626 | F452-W617 HydrophobicContact CB-CZ2 4.46Å; F452-W617 AromaticContact CD2-CH2 3.43Å; F452-W617 HydrophobicContact CD2-CH2 3.43Å; F452-W617 VanDerWaalsContact CD2-CH2 3.43Å; F452-W617 AromaticContact CD2-CZ2 3.46Å; F452-W617 HydrophobicContact CD2-CZ2 3.46Å; F452-W617 VanDerWaalsContact CD2-CZ2 3.46Å; F452-W617 AromaticContact CE2-CH2 3.25Å; F452-W617 HydrophobicContact CE2-CH2 3.25Å; F452-W617 AromaticContact CE2-CZ2 3.83Å; F452-W617 HydrophobicContact CE2-CZ2 3.83Å; F452-W617 HydrophobicContact CE2-CZ3 4.18Å; F452-W617 HydrophobicContact CG-CH2 4.2Å; F452-W617 AromaticContact CG-CZ2 3.96Å; F452-W617 HydrophobicContact CG-CZ2 3.96Å; F452-W617 AromaticContact CZ-CH2 3.84Å; F452-W617 HydrophobicContact CZ-CH2 3.84Å; F452-W617 HydrophobicContact CZ-CZ3 4.39Å; R613-W617 PolarHBondContact O-N 2.91Å; L614-W617 HydrophobicContact CD2-CE3 4.42Å; L614-W617 CarbonylContact O-C 3.5Å; L614-W617 WeakPolarHBondContact O-CA 3.31Å; L614-W617 WeakPolarHBondContact O-CB 3.36Å; L614-W617 PolarHBondContact O-N 3.33Å; W617-K619 PolarHBondContact O-N 2.89Å; W617-G620 PolarHBondContact O-N 2.96Å; W617-H626 AromaticContact CD1-ND1 3.82Å; W617-H626 AromaticContact CD2-ND1 3.79Å; W617-H626 AromaticContact CE2-ND1 3.51Å; W617-H626 AromaticContact CG-ND1 3.98Å; W617-H626 AromaticContact NE1-CG 3.8Å; W617-H626 AromaticContact NE1-ND1 3.51Å |
| 618 | E | 73.9 | Confident | 70.7 | Confident | 105 Ų | 105 | 48.8 Ų | 48.8 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 173.5 | -70.8 | 175.5 | 173.8 | 0 | 0 | 112.8 | L614 G620 Q621 Q622 | L614-E618 WeakPolarHBondContact O-CG 3.42Å; L614-E618 PolarHBondContact O-N 3.47Å; E618-G620 VanDerWaalsContact C-N 3.28Å; E618-G620 PolarHBondContact O-N 3Å; E618-Q621 VanDerWaalsContact O-CB 3.23Å; E618-Q621 WeakPolarHBondContact O-CB 3.5Å; E618-Q621 PolarHBondContact O-N 3.38Å; E618-Q622 PolarHBondContact O-N 2.84Å |
| 619 | K | 74 | Confident | 72.1 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -32.7 | 176.8 | -82.1 | -179.6 | -178.2 | -155.6 | 0 | 113.4 | I587 F588 Q589 V592 F594 A615 L616 W617 | I587-K619 PolarHBondContact O-NZ 3.2Å; F588-K619 WeakPolarHBondContact O-CE 3.5Å; F588-K619 PolarHBondContact O-NZ 2.91Å; Q589-K619 PolarHBondContact O-NZ 3.09Å; V592-K619 PolarHBondContact O-NZ 3.39Å; F594-K619 HydrophobicContact CD2-CD 4.26Å; F594-K619 HydrophobicContact CE2-CD 4.02Å; A615-K619 VanDerWaalsContact O-CG 3.3Å; A615-K619 WeakPolarHBondContact O-CG 3.47Å; A615-K619 PolarHBondContact O-N 3.2Å; L616-K619 HydrophobicContact CD2-CD 4.25Å; L616-K619 PolarHBondContact O-N 2.86Å; W617-K619 PolarHBondContact O-N 2.89Å |
| 620 | G | 69.3 | Low | 73.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.4 | -35.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W617 E618 Q622 Q623 F625 | W617-G620 PolarHBondContact O-N 2.96Å; E618-G620 VanDerWaalsContact C-N 3.28Å; E618-G620 PolarHBondContact O-N 3Å; G620-Q622 PolarHBondContact O-N 3.33Å; G620-Q622 VanDerWaalsContact O-N 3.11Å; G620-Q623 WeakPolarHBondContact O-CA 3.22Å; G620-Q623 VanDerWaalsContact O-CB 3.31Å; G620-Q623 WeakPolarHBondContact O-CB 3.31Å; G620-Q623 PolarHBondContact O-N 2.75Å; G620-F625 CarbonylContact C-O 3.5Å; G620-F625 WeakPolarHBondContact CA-O 3.43Å |
| 621 | Q | 69.3 | Low | 75.4 | Confident | 112 Ų | 112 | 44.5 Ų | 44.5 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.1 | -35.3 | 179.9 | -168.5 | -175.6 | 2.8 | 0 | 0 | 112.2 | E618 Q623 G624 F625 | E618-Q621 VanDerWaalsContact O-CB 3.23Å; E618-Q621 WeakPolarHBondContact O-CB 3.5Å; E618-Q621 PolarHBondContact O-N 3.38Å; Q621-Q623 PolarHBondContact O-N 2.95Å; Q621-Q623 VanDerWaalsContact O-N 3.09Å; Q621-G624 PolarHBondContact O-N 3.16Å; Q621-F625 PolarHBondContact N-O 2.94Å |
| 622 | Q | 67.3 | Low | 76.9 | Confident | 151 Ų | 151 | 37.1 Ų | 37.1 | 71% | 0.706 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.7 | 174.7 | -62.4 | -178.6 | -0.3 | 0 | 0 | 113.6 | E618 G620 | E618-Q622 PolarHBondContact O-N 2.84Å; G620-Q622 PolarHBondContact O-N 3.33Å; G620-Q622 VanDerWaalsContact O-N 3.11Å |
| 623 | Q | 71.7 | Confident | 77.7 | Confident | 60 Ų | 60 | 34 Ų | 34 | 28% | 0.28 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 3.5 | 178.4 | -53.4 | -179.8 | -18.8 | 0 | 0 | 113.1 | F594 G620 Q621 F625 | F594-Q623 VanDerWaalsContact C-NE2 3.33Å; F594-Q623 PolarHBondContact O-NE2 3.08Å; G620-Q623 WeakPolarHBondContact O-CA 3.22Å; G620-Q623 VanDerWaalsContact O-CB 3.31Å; G620-Q623 WeakPolarHBondContact O-CB 3.31Å; G620-Q623 PolarHBondContact O-N 2.75Å; Q621-Q623 PolarHBondContact O-N 2.95Å; Q621-Q623 VanDerWaalsContact O-N 3.09Å; Q623-F625 HydrophobicContact CB-CD1 4.24Å; Q623-F625 HydrophobicContact CB-CE1 3.72Å; Q623-F625 HydrophobicContact CB-CZ 4.19Å; Q623-F625 WeakPolarHBondContact O-CD1 3.26Å |
| 624 | G | 78.7 | Confident | 77.9 | Confident | 62 Ų | 62 | 31.9 Ų | 31.9 | 64% | 0.639 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 5.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q621 | Q621-G624 PolarHBondContact O-N 3.16Š|
| 625 | F | 83 | Confident | 77.9 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -148.6 | 154.2 | 176.1 | 60.7 | -87.8 | 0 | 0 | 0 | 111.2 | H453 Q455 L597 G620 Q621 Q623 | H453-F625 CarbonylContact O-C 3.56Å; H453-F625 VanDerWaalsContact O-CA 3.3Å; H453-F625 WeakPolarHBondContact O-CA 3.29Å; Q455-F625 HydrophobicContact CB-CD2 4.18Å; Q455-F625 HydrophobicContact CB-CG 4.3Å; L597-F625 WeakPolarHBondContact O-CE2 3.32Å; G620-F625 CarbonylContact C-O 3.5Å; G620-F625 WeakPolarHBondContact CA-O 3.43Å; Q621-F625 PolarHBondContact N-O 2.94Å; Q623-F625 HydrophobicContact CB-CD1 4.24Å; Q623-F625 HydrophobicContact CB-CE1 3.72Å; Q623-F625 HydrophobicContact CB-CZ 4.19Å; Q623-F625 WeakPolarHBondContact O-CD1 3.26Å |
| 626 | H | 85.2 | Confident | 77.7 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -92.8 | 140.9 | 177.7 | -72.1 | -93.8 | 0 | 0 | 0 | 111 | F452 H453 A454 P495 W617 | F452-H626 HydrophobicContact CB-CB 4.4Å; F452-H626 AromaticContact CD1-CD2 3.7Å; F452-H626 AromaticContact CD1-CE1 3.66Å; F452-H626 AromaticContact CD1-NE2 3.21Å; F452-H626 WeakPolarHBondContact CD1-NE2 3.4Å; F452-H626 AromaticContact CE1-NE2 3.96Å; F452-H626 AromaticContact CG-CD2 3.91Å; F452-H626 AromaticContact CG-NE2 3.88Å; H453-H626 PolarHBondContact O-N 2.75Å; A454-H626 WeakPolarHBondContact CB-O 2.97Å; P495-H626 HydrophobicContact CG-CB 3.77Å; W617-H626 AromaticContact CD1-ND1 3.82Å; W617-H626 AromaticContact CD2-ND1 3.79Å; W617-H626 AromaticContact CE2-ND1 3.51Å; W617-H626 AromaticContact CG-ND1 3.98Å; W617-H626 AromaticContact NE1-CG 3.8Å; W617-H626 AromaticContact NE1-ND1 3.51Å |
| 627 | P | 88.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 144.6 | 177.2 | 29 | -32.5 | 0 | 0 | 0 | 110.5 | L597 A598 V600 | L597-P627 HydrophobicContact CG-CB 4.29Å; A598-P627 WeakPolarHBondContact O-CA 3.33Å; V600-P627 HydrophobicContact CG2-CB 4Å; V600-P627 HydrophobicContact CG2-CG 4.07Å |
| 628 | H | 91.3 | Very high | 76.7 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 144.2 | 163.3 | -60.3 | -82.2 | 0 | 0 | 0 | 109.4 | Q455 L490 M496 A598 L599 V600 | Q455-H628 PolarHBondContact O-NE2 3Å; L490-H628 HydrophobicContact CD2-CB 3.6Å; L490-H628 VanDerWaalsContact CD2-CG 3.4Å; M496-H628 HydrophobicContact CB-CB 3.97Å; M496-H628 WeakPolarHBondContact CB-ND1 3.42Å; M496-H628 HydrophobicContact CE-CB 4.39Å; M496-H628 PolarHBondContact N-ND1 3.43Å; A598-H628 PolarHBondContact O-CD2 3.02Å; A598-H628 VanDerWaalsContact O-CD2 3.27Å; A598-H628 PolarHBondContact O-N 3.38Å; L599-H628 CarbonylContact C-O 3.58Å; L599-H628 WeakPolarHBondContact CA-O 3.29Å; L599-H628 HydrophobicContact CD1-CB 3.82Å; V600-H628 PolarHBondContact N-O 3.14Å |
| 629 | Q | 88.7 | Confident | 76.1 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.5 | 177.7 | -56.2 | -169.9 | 32.2 | 0 | 0 | 111.5 | M496 M497 R498 V600 | M496-Q629 WeakPolarHBondContact CE-O 3.37Å; M496-Q629 PolarHBondContact O-N 3.49Å; M497-Q629 HydrophobicContact CE-CB 4.34Å; M497-Q629 HydrophobicContact CE-CG 4.36Å; M497-Q629 HydrophobicContact SD-CB 3.66Å; M497-Q629 HydrophobicContact SD-CG 3.7Å; R498-Q629 PolarHBondContact N-O 3.33Å; V600-Q629 CarbonylContact O-C 3.52Å; V600-Q629 WeakPolarHBondContact O-CA 3.43Å |
| 630 | L | 91.5 | Very high | 75.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111.6 | 174.9 | -175.6 | 68.1 | 0 | 0 | 0 | 109.3 | I486 M496 R498 V500 A515 L599 V600 I601 I602 | I486-L630 HydrophobicContact CD1-CD1 3.82Å; I486-L630 HydrophobicContact CD1-CD2 4.25Å; I486-L630 HydrophobicContact CG1-CD1 4.02Å; M496-L630 HydrophobicContact CE-CB 3.86Å; M496-L630 HydrophobicContact CE-CD1 4Å; R498-L630 HydrophobicContact CB-CD1 4.27Å; R498-L630 HydrophobicContact CG-CD1 4.37Å; V500-L630 HydrophobicContact CG2-CD1 3.57Å; V500-L630 HydrophobicContact CG2-CG 4.48Å; A515-L630 HydrophobicContact CB-CD2 4.1Å; L599-L630 HydrophobicContact CD1-CB 4.21Å; V600-L630 PolarHBondContact O-N 2.97Å; I601-L630 CarbonylContact C-O 3.55Å; I601-L630 VanDerWaalsContact CA-O 3.24Å; I601-L630 WeakPolarHBondContact CA-O 3.33Å; I601-L630 HydrophobicContact CD1-CD2 4.46Å; I601-L630 HydrophobicContact CG1-CB 4.26Å; I601-L630 HydrophobicContact CG1-CD2 4.34Å; I601-L630 HydrophobicContact CG2-CD2 4.42Å; I602-L630 PolarHBondContact N-O 3.19Å |
| 631 | I | 87.8 | Confident | 75 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.6 | 179.1 | -62 | 165.9 | 0 | 0 | 0 | 108.7 | R498 L499 V500 I602 Q605 L649 | R498-I631 PolarHBondContact O-N 2.89Å; L499-I631 CarbonylContact C-O 3.55Å; L499-I631 WeakPolarHBondContact CA-O 3.27Å; L499-I631 HydrophobicContact CD1-CB 4.02Å; L499-I631 HydrophobicContact CD1-CG2 3.59Å; V500-I631 PolarHBondContact N-O 3.47Å; I602-I631 HydrophobicContact CB-CG1 4.42Å; I602-I631 CarbonylContact O-C 3.58Å; I602-I631 WeakPolarHBondContact O-CA 3.41Å; Q605-I631 HydrophobicContact CB-CG2 3.64Å; Q605-I631 HydrophobicContact CG-CG2 3.61Å; I631-L649 HydrophobicContact CD1-CD1 3.55Å; I631-L649 HydrophobicContact CD1-CD2 4.05Å; I631-L649 HydrophobicContact CD1-CG 4.49Å |
| 632 | M | 87.3 | Confident | 74.5 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.3 | 178.3 | -59.9 | -171.9 | -59.3 | 0 | 0 | 110.7 | V500 K508 A512 I601 I602 D603 E604 | V500-M632 HydrophobicContact CB-CG 4.39Å; V500-M632 WeakPolarHBondContact O-CA 3.33Å; K508-M632 HydrophobicContact CB-SD 4.01Å; K508-M632 HydrophobicContact CD-CB 4.46Å; A512-M632 HydrophobicContact CB-CE 4.02Å; A512-M632 HydrophobicContact CB-SD 3.69Å; I601-M632 HydrophobicContact CG2-CE 3.66Å; I601-M632 HydrophobicContact CG2-SD 4.29Å; I602-M632 PolarHBondContact O-N 3.33Å; D603-M632 HydrophobicContact CB-CE 3.93Å; E604-M632 PolarHBondContact N-O 3.41Å |
| 633 | T | 78 | Confident | 74 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.1 | 174 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | L499 V500 Q501 G502 K508 T635 I637 | L499-T633 HydrophobicContact CD1-CG2 3.99Å; V500-T633 PolarHBondContact O-N 2.92Å; Q501-T633 HydrophobicContact CB-CG2 4.19Å; Q501-T633 HydrophobicContact CG-CG2 3.82Å; G502-T633 PolarHBondContact N-O 3.37Å; K508-T633 VanDerWaalsContact CD-O 3.26Å; K508-T633 WeakPolarHBondContact CD-O 3.3Å; K508-T633 WeakPolarHBondContact CE-O 3.36Å; T633-T635 VanDerWaalsContact CG2-O 3.32Å; T633-T635 WeakPolarHBondContact CG2-O 3.47Å; T633-T635 PolarHBondContact OG1-N 2.99Å; T633-T635 PolarHBondContact OG1-O 3.36Å; T633-T635 PolarHBondContact OG1-OG1 3.45Å; T633-T635 VanDerWaalsContact OG1-OG1 3.1Å; T633-I637 HydrophobicContact CG2-CG1 4.49Å |
| 634 | A | 69.5 | Low | 73.3 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -86.1 | -16.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V504 K508 E604 P636 | V504-A634 HydrophobicContact CG2-CB 3.86Å; K508-A634 VanDerWaalsContact NZ-CA 3.31Å; E604-A634 WeakPolarHBondContact OE1-CB 3.2Å; E604-A634 PolarHBondContact OE1-N 2.77Å; A634-P636 WeakPolarHBondContact O-CD 3.41Å |
| 635 | T | 65.8 | Low | 72.1 | Confident | 25 Ų | 25 | 19.4 Ų | 19.4 | 15% | 0.153 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -90.2 | 111.5 | 169.1 | 44.7 | 0 | 0 | 0 | 0 | 108.3 | T633 I637 A782 Q786 | T633-T635 VanDerWaalsContact CG2-O 3.32Å; T633-T635 WeakPolarHBondContact CG2-O 3.47Å; T633-T635 PolarHBondContact OG1-N 2.99Å; T633-T635 PolarHBondContact OG1-O 3.36Å; T633-T635 PolarHBondContact OG1-OG1 3.45Å; T633-T635 VanDerWaalsContact OG1-OG1 3.1Å; T635-I637 PolarHBondContact O-N 3.08Å; T635-A782 HydrophobicContact CG2-CB 3.9Å; T635-Q786 HydrophobicContact CG2-CG 4.14Å; T635-Q786 VanDerWaalsContact CG2-NE2 3.27Å |
| 636 | P | 64 | Low | 70.9 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 134.6 | 174.5 | -24.7 | 38.4 | 0 | 0 | 0 | 109.5 | A634 F826 A829 | A634-P636 WeakPolarHBondContact O-CD 3.41Å; P636-F826 HydrophobicContact CB-CB 4.29Å; P636-F826 HydrophobicContact CB-CD1 3.4Å; P636-F826 VanDerWaalsContact CB-CD1 3.4Å; P636-F826 HydrophobicContact CB-CD2 3.87Å; P636-F826 HydrophobicContact CB-CE1 3.48Å; P636-F826 VanDerWaalsContact CB-CE1 3.48Å; P636-F826 HydrophobicContact CB-CE2 3.91Å; P636-F826 HydrophobicContact CB-CG 3.59Å; P636-F826 HydrophobicContact CB-CZ 3.68Å; P636-F826 HydrophobicContact CG-CD1 4.35Å; P636-F826 HydrophobicContact CG-CD2 3.92Å; P636-F826 HydrophobicContact CG-CE1 4.38Å; P636-F826 HydrophobicContact CG-CE2 3.93Å; P636-F826 HydrophobicContact CG-CG 4.1Å; P636-F826 HydrophobicContact CG-CZ 4.13Å; P636-A829 WeakPolarHBondContact O-CB 3.38Å |
| 637 | I | 63.1 | Low | 69.3 | Low | 18 Ų | 18 | 20 Ų | 20 | 9% | 0.092 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -97.4 | 128.2 | 176.1 | -58.2 | -178.2 | 0 | 0 | 0 | 105.7 | L499 Q501 T633 T635 R639 L641 A642 Y646 | L499-I637 HydrophobicContact CD2-CD1 4.19Å; Q501-I637 PolarHBondContact OE1-O 2.87Å; T633-I637 HydrophobicContact CG2-CG1 4.49Å; T635-I637 PolarHBondContact O-N 3.08Å; I637-R639 PolarHBondContact O-N 2.86Å; I637-R639 VanDerWaalsContact O-N 3.15Å; I637-L641 HydrophobicContact CG2-CB 3.97Å; I637-L641 HydrophobicContact CG2-CD2 3.82Å; I637-L641 HydrophobicContact CG2-CG 4.26Å; I637-A642 HydrophobicContact CB-CB 4.21Å; I637-A642 HydrophobicContact CG2-CB 3.93Å; I637-Y646 HydrophobicContact CD1-CD2 4.04Å; I637-Y646 HydrophobicContact CD1-CE2 3.51Å |
| 638 | P | 63.5 | Low | 68 | Low | 11 Ų | 11 | 22.3 Ų | 22.3 | 7% | 0.071 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -48.9 | 129.2 | 177.1 | -29.2 | 38.1 | 0 | 0 | 0 | 109.3 | T640 L641 A642 A829 Q830 L833 | P638-T640 PolarHBondContact O-N 3.37Å; P638-L641 HydrophobicContact CB-CB 4.3Å; P638-L641 CarbonylContact O-C 3.4Å; P638-L641 WeakPolarHBondContact O-CA 3.25Å; P638-L641 WeakPolarHBondContact O-CB 3.45Å; P638-L641 PolarHBondContact O-N 3.26Å; P638-A642 PolarHBondContact O-N 2.92Å; P638-A829 HydrophobicContact CG-CB 4.3Å; P638-Q830 HydrophobicContact CG-CB 4.39Å; P638-L833 HydrophobicContact CB-CD2 3.97Å; P638-L833 HydrophobicContact CG-CB 4.2Å; P638-L833 HydrophobicContact CG-CD2 3.76Å |
| 639 | R | 60.4 | Low | 66.9 | Low | 178 Ų | 178 | 22.4 Ų | 22.4 | 67% | 0.672 | 11% | 0.112 | S | C | * | . | H | α-helix | trans | -52.8 | -37.5 | -169.1 | -169.3 | -178.5 | -171 | 152.1 | 3.9 | 112.2 | I637 A642 M643 | I637-R639 PolarHBondContact O-N 2.86Å; I637-R639 VanDerWaalsContact O-N 3.15Å; R639-A642 PolarHBondContact O-N 3.47Å; R639-M643 HydrophobicContact CG-CG 4.37Å; R639-M643 HydrophobicContact CG-SD 3.78Å; R639-M643 VanDerWaalsContact O-CB 3.29Å; R639-M643 WeakPolarHBondContact O-CB 3.31Å; R639-M643 WeakPolarHBondContact O-CG 3.49Å; R639-M643 PolarHBondContact O-N 3Å |
| 640 | T | 57.5 | Low | 66.4 | Low | 32 Ų | 32 | 25 Ų | 25 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.2 | 47 | 0 | 0 | 0 | 0 | 112.7 | P638 T644 Q861 I864 | P638-T640 PolarHBondContact O-N 3.37Å; T640-T644 PolarHBondContact O-N 3.15Å; T640-T644 PolarHBondContact O-OG1 3.24Å; T640-Q861 HydrophobicContact CG2-CB 3.88Å; T640-I864 HydrophobicContact CG2-CD1 4.27Å |
| 641 | L | 62.2 | Low | 65.9 | Low | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70 | -41.9 | 174.2 | -163.3 | 82.5 | 0 | 0 | 0 | 111.2 | I637 P638 M643 T644 A645 L833 P838 L841 L842 L857 | I637-L641 HydrophobicContact CG2-CB 3.97Å; I637-L641 HydrophobicContact CG2-CD2 3.82Å; I637-L641 HydrophobicContact CG2-CG 4.26Å; P638-L641 HydrophobicContact CB-CB 4.3Å; P638-L641 CarbonylContact O-C 3.4Å; P638-L641 WeakPolarHBondContact O-CA 3.25Å; P638-L641 WeakPolarHBondContact O-CB 3.45Å; P638-L641 PolarHBondContact O-N 3.26Å; L641-M643 VanDerWaalsContact C-N 3.32Å; L641-M643 PolarHBondContact O-N 2.96Å; L641-T644 PolarHBondContact O-N 3.25Å; L641-T644 PolarHBondContact O-OG1 3.07Å; L641-A645 VanDerWaalsContact O-CB 3.29Å; L641-A645 WeakPolarHBondContact O-CB 3.4Å; L641-A645 PolarHBondContact O-N 3.44Å; L641-L833 HydrophobicContact CB-CD2 4.04Å; L641-L833 HydrophobicContact CD1-CD1 3.95Å; L641-L833 HydrophobicContact CD1-CD2 4.02Å; L641-L833 HydrophobicContact CD2-CD1 4.11Å; L641-L833 HydrophobicContact CD2-CD2 4.28Å; L641-L833 HydrophobicContact CG-CD2 4.35Å; L641-P838 HydrophobicContact CD1-CB 4.06Å; L641-L841 HydrophobicContact CD2-CB 4.1Å; L641-L842 HydrophobicContact CD1-CD1 4.14Å; L641-L842 HydrophobicContact CD1-CD2 4.37Å; L641-L842 HydrophobicContact CD1-CG 4.34Å; L641-L842 HydrophobicContact CD2-CD2 3.76Å; L641-L842 HydrophobicContact CD2-CG 4.3Å; L641-L842 HydrophobicContact CG-CD2 3.95Å; L641-L842 HydrophobicContact CG-CG 4.44Å; L641-L857 HydrophobicContact CD1-CD1 3.65Å |
| 642 | A | 58.8 | Low | 65.9 | Low | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I637 P638 R639 T644 Y646 T651 | I637-A642 HydrophobicContact CB-CB 4.21Å; I637-A642 HydrophobicContact CG2-CB 3.93Å; P638-A642 PolarHBondContact O-N 2.92Å; R639-A642 PolarHBondContact O-N 3.47Å; A642-T644 VanDerWaalsContact C-N 3.26Å; A642-T644 PolarHBondContact O-N 3.37Å; A642-Y646 CarbonylContact O-C 3.56Å; A642-Y646 VanDerWaalsContact O-C 3.22Å; A642-Y646 WeakPolarHBondContact O-CA 3.39Å; A642-Y646 WeakPolarHBondContact O-CB 3.4Å; A642-Y646 PolarHBondContact O-N 2.73Å; A642-T651 HydrophobicContact CB-CG2 4.07Å |
| 643 | M | 57.7 | Low | 65.9 | Low | 49 Ų | 49 | 28.3 Ų | 28.3 | 24% | 0.241 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.9 | -13.1 | -179.1 | -74.6 | 173.4 | 65.6 | 0 | 0 | 114.7 | R639 L641 A647 Q868 | R639-M643 HydrophobicContact CG-CG 4.37Å; R639-M643 HydrophobicContact CG-SD 3.78Å; R639-M643 VanDerWaalsContact O-CB 3.29Å; R639-M643 WeakPolarHBondContact O-CB 3.31Å; R639-M643 WeakPolarHBondContact O-CG 3.49Å; R639-M643 PolarHBondContact O-N 3Å; L641-M643 VanDerWaalsContact C-N 3.32Å; L641-M643 PolarHBondContact O-N 2.96Å; M643-A647 WeakPolarHBondContact O-CB 3.35Å; M643-Q868 VanDerWaalsContact CE-CD 3.46Å |
| 644 | T | 56 | Low | 66.4 | Low | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -109.8 | -48.1 | 180 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | H438 T640 L641 A642 L857 I864 | H438-T644 PolarHBondContact CD2-O 2.86Å; H438-T644 PolarHBondContact NE2-O 3.49Å; T640-T644 PolarHBondContact O-N 3.15Å; T640-T644 PolarHBondContact O-OG1 3.24Å; L641-T644 PolarHBondContact O-N 3.25Å; L641-T644 PolarHBondContact O-OG1 3.07Å; A642-T644 VanDerWaalsContact C-N 3.26Å; A642-T644 PolarHBondContact O-N 3.37Å; T644-L857 HydrophobicContact CG2-CD2 3.77Å; T644-L857 WeakPolarHBondContact OG1-CD1 3.42Å; T644-I864 HydrophobicContact CG2-CD1 3.94Å; T644-I864 HydrophobicContact CG2-CG1 4.39Å; T644-I864 HydrophobicContact CG2-CG2 4.32Å |
| 645 | A | 53.1 | Low | 67.1 | Low | 27 Ų | 27 | 33.1 Ų | 33.1 | 22% | 0.223 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -83.4 | -28.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L641 L842 | L641-A645 VanDerWaalsContact O-CB 3.29Å; L641-A645 WeakPolarHBondContact O-CB 3.4Å; L641-A645 PolarHBondContact O-N 3.44Å; A645-L842 HydrophobicContact CB-CD1 3.43Å; A645-L842 VanDerWaalsContact CB-CD1 3.43Å; A645-L842 HydrophobicContact CB-CD2 3.15Å; A645-L842 HydrophobicContact CB-CG 3.88Å |
| 646 | Y | 58.6 | Low | 67.9 | Low | 35 Ų | 35 | 36 Ų | 36 | 14% | 0.137 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 32.3 | 174.6 | -58.7 | -83.2 | 0 | 0 | 0 | 109.9 | I637 A642 D648 L649 L842 | I637-Y646 HydrophobicContact CD1-CD2 4.04Å; I637-Y646 HydrophobicContact CD1-CE2 3.51Å; A642-Y646 CarbonylContact O-C 3.56Å; A642-Y646 VanDerWaalsContact O-C 3.22Å; A642-Y646 WeakPolarHBondContact O-CA 3.39Å; A642-Y646 WeakPolarHBondContact O-CB 3.4Å; A642-Y646 PolarHBondContact O-N 2.73Å; Y646-D648 WeakPolarHBondContact CA-OD1 3.49Å; Y646-D648 PolarHBondContact O-N 2.92Å; Y646-L649 HydrophobicContact CD1-CD1 4Å; Y646-L649 HydrophobicContact CG-CD1 4.43Å; Y646-L649 WeakPolarHBondContact O-CA 3.36Å; Y646-L649 WeakPolarHBondContact O-CB 3.41Å; Y646-L649 PolarHBondContact O-N 2.76Å; Y646-L842 HydrophobicContact CE2-CD2 4.01Å |
| 647 | A | 52.1 | Low | 68.6 | Low | 11 Ų | 11 | 40 Ų | 40 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M442 R446 M643 L649 | M442-A647 HydrophobicContact CB-CB 3.81Å; M442-A647 HydrophobicContact CE-CB 3.9Å; M442-A647 HydrophobicContact CG-CB 3.79Å; R446-A647 PolarHBondContact NE-O 3.19Å; R446-A647 PolarHBondContact NH2-O 3.26Å; M643-A647 WeakPolarHBondContact O-CB 3.35Å; A647-L649 VanDerWaalsContact C-N 3.32Å |
| 648 | D | 60.7 | Low | 69.1 | Low | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -29.8 | 171.3 | 57.3 | -42.6 | 0 | 0 | 0 | 110.9 | M442 R446 Y646 | M442-D648 HydrophobicContact CE-CB 3.48Å; M442-D648 VanDerWaalsContact CE-CB 3.48Å; M442-D648 WeakPolarHBondContact CE-OD1 3.26Å; R446-D648 PolarHBondContact NE-O 3.4Å; R446-D648 VanDerWaalsContact NE-O 3.12Å; Y646-D648 WeakPolarHBondContact CA-OD1 3.49Å; Y646-D648 PolarHBondContact O-N 2.92Å |
| 649 | L | 69.6 | Low | 69.4 | Low | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -91.5 | 139.3 | 179.6 | -50.7 | -179.3 | 0 | 0 | 0 | 111.4 | R446 M497 L499 I631 Y646 A647 | R446-L649 VanDerWaalsContact NH2-C 3.34Å; R446-L649 PolarHBondContact NH2-O 3.17Å; R446-L649 VanDerWaalsContact NH2-O 3.08Å; M497-L649 HydrophobicContact CB-CD2 3.8Å; M497-L649 HydrophobicContact CE-CD2 4.03Å; M497-L649 CarbonylContact O-C 3.55Å; M497-L649 VanDerWaalsContact O-CA 3.29Å; M497-L649 WeakPolarHBondContact O-CA 3.06Å; L499-L649 HydrophobicContact CB-CB 4.23Å; L499-L649 HydrophobicContact CB-CD1 3.99Å; I631-L649 HydrophobicContact CD1-CD1 3.55Å; I631-L649 HydrophobicContact CD1-CD2 4.05Å; I631-L649 HydrophobicContact CD1-CG 4.49Å; Y646-L649 HydrophobicContact CD1-CD1 4Å; Y646-L649 HydrophobicContact CG-CD1 4.43Å; Y646-L649 WeakPolarHBondContact O-CA 3.36Å; Y646-L649 WeakPolarHBondContact O-CB 3.41Å; Y646-L649 PolarHBondContact O-N 2.76Å; A647-L649 VanDerWaalsContact C-N 3.32Å |
| 650 | D | 78.3 | Confident | 69.6 | Low | 64 Ų | 64 | 40.1 Ų | 40.1 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.3 | 164.2 | -69.9 | -33 | 0 | 0 | 0 | 109.7 | R446 M497 R498 L499 | R446-D650 IonicContact CZ-OD1 2.93Å; R446-D650 IonicContact NH1-OD1 3.92Å; R446-D650 IonicContact NH2-OD1 3.56Å; R446-D650 PolarHBondContact NH2-OD1 3.34Å; M497-D650 PolarHBondContact O-N 3.42Å; R498-D650 CarbonylContact C-O 3.56Å; R498-D650 VanDerWaalsContact CA-O 3.25Å; R498-D650 WeakPolarHBondContact CA-O 3.48Å; R498-D650 WeakPolarHBondContact CG-O 3.44Å; R498-D650 IonicContact NH2-OD2 3.42Å; L499-D650 PolarHBondContact N-O 3.17Å |
| 651 | T | 81 | Confident | 70.1 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 23% | 0.233 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.6 | -174.8 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | L499 A642 | L499-T651 HydrophobicContact CD2-CG2 4.5Å; L499-T651 WeakPolarHBondContact O-CA 3.33Å; A642-T651 HydrophobicContact CB-CG2 4.07Å |
| 652 | S | 87.8 | Confident | 70.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.3 | 170.5 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | E485 R498 L499 V500 Q501 | E485-S652 WeakPolarHBondContact OE2-CB 3.27Å; E485-S652 PolarHBondContact OE2-OG 3.35Å; R498-S652 WeakPolarHBondContact CD-OG 3.49Å; R498-S652 PolarHBondContact NH1-OG 3.3Å; L499-S652 PolarHBondContact O-N 3Å; V500-S652 WeakPolarHBondContact CA-O 3.37Å; Q501-S652 PolarHBondContact N-O 2.88Å |
| 653 | V | 86.4 | Confident | 71.3 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127 | -178.5 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | R481 Q501 D655 F826 | R481-V653 PolarHBondContact NH2-O 2.63Å; Q501-V653 HydrophobicContact CB-CG2 4.44Å; Q501-V653 WeakPolarHBondContact O-CA 3.49Å; V653-D655 HydrophobicContact CG1-CB 4.12Å; V653-F826 HydrophobicContact CB-CZ 4.35Å; V653-F826 HydrophobicContact CG1-CE1 3.9Å; V653-F826 HydrophobicContact CG1-CE2 3.96Å; V653-F826 HydrophobicContact CG1-CZ 3.32Å; V653-F826 HydrophobicContact CG2-CE1 4.16Å; V653-F826 HydrophobicContact CG2-CZ 4.24Å |
| 654 | I | 87.4 | Confident | 72.7 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 95 | 166.9 | -50.3 | 174.9 | 0 | 0 | 0 | 107.8 | A478 Q479 V482 V500 Q501 K508 V511 | A478-I654 HydrophobicContact CB-CG2 3.97Å; Q479-I654 HydrophobicContact CG-CG2 4.13Å; V482-I654 HydrophobicContact CB-CG1 4.42Å; V482-I654 HydrophobicContact CG2-CG1 3.92Å; V500-I654 HydrophobicContact CG1-CD1 3.79Å; V500-I654 HydrophobicContact CG1-CG1 4.1Å; Q501-I654 PolarHBondContact O-N 3.21Å; K508-I654 HydrophobicContact CG-CD1 4.08Å; V511-I654 HydrophobicContact CG2-CD1 3.78Å |
| 655 | D | 84.5 | Confident | 74.3 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | trans | -90.8 | -0.5 | -176.9 | 48.4 | -14.3 | 0 | 0 | 0 | 114 | A478 R481 V653 | A478-D655 WeakPolarHBondContact CB-OD1 3.34Å; R481-D655 IonicContact NH2-OD1 2.75Å; R481-D655 PolarHBondContact NH2-OD1 3.24Å; R481-D655 IonicContact NH2-OD2 3.81Å; V653-D655 HydrophobicContact CG1-CB 4.12Å | ||
| 656 | E | 83.2 | Confident | 76.2 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | trans | -115 | 133.3 | 178 | -65.2 | 172.2 | -175.9 | 0 | 0 | 111.5 | T476 G477 A478 | T476-E656 VanDerWaalsContact CB-OE2 3.27Å; T476-E656 WeakPolarHBondContact CB-OE2 3.49Å; T476-E656 HydrophobicContact CG2-CB 4.43Å; G477-E656 WeakPolarHBondContact CA-OE2 3.18Å; G477-E656 PolarHBondContact N-OE2 3.26Å; A478-E656 HydrophobicContact CB-CB 3.73Å; A478-E656 HydrophobicContact CB-CG 3.79Å; A478-E656 PolarHBondContact N-OE2 3.08Å | ||
| 657 | L | 78.3 | Confident | 77.9 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 144.7 | 169.1 | -67.9 | 172.9 | 0 | 0 | 0 | 110.5 | D503 | D503-L657 HydrophobicContact CB-CD2 4.26Š|
| 658 | P | 74.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 144.9 | 172 | -24.7 | 33.5 | 0 | 0 | 0 | 112.3 | G505 | G505-P658 WeakPolarHBondContact O-CD 3.33Š|
| 659 | P | 69.4 | Low | 81.3 | Confident | 117 Ų | 117 | 50.5 Ų | 50.5 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 143.3 | 178.8 | 25.2 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 660 | G | 65.8 | Low | 82.4 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.5 | -4.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 661 | R | 66.8 | Low | 82.9 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 25% | 0.253 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 131.7 | 171.9 | -80 | -176.1 | 158.7 | -143.5 | -7.4 | 111.9 | V504 | V504-R661 PolarHBondContact O-NH1 3.08Å; V504-R661 PolarHBondContact O-NH2 3.08Å |
| 662 | T | 70.4 | Confident | 83.3 | Confident | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.288 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 136.4 | 170.7 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | V796 | T662-V796 PolarHBondContact OG1-O 2.85Š|
| 663 | P | 77 | Confident | 83.4 | Confident | 97 Ų | 97 | 61.5 Ų | 61.5 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 141.5 | 173.9 | -24.1 | 33.5 | 0 | 0 | 0 | 111.4 | ||
| 664 | V | 85.3 | Confident | 83.5 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 124.2 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | T666 R788 V791 C800 N823 | V664-T666 PolarHBondContact O-N 3.21Å; V664-R788 HydrophobicContact CB-CG 4.16Å; V664-R788 HydrophobicContact CG1-CG 3.93Å; V664-V791 HydrophobicContact CG1-CG2 4.01Å; V664-V791 HydrophobicContact CG2-CG2 4.2Å; V664-C800 HydrophobicContact CG1-CB 3.71Å; V664-N823 PolarHBondContact O-ND2 3Å; V664-N823 PolarHBondContact O-OD1 3.24Å; V664-N823 VanDerWaalsContact O-OD1 3.1Å |
| 665 | T | 90.8 | Very high | 83.7 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 113.8 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | S798 H799 C800 | T665-S798 PolarHBondContact N-O 2.86Å; T665-H799 CarbonylContact O-C 3.5Å; T665-H799 WeakPolarHBondContact O-CA 3.23Å; T665-C800 PolarHBondContact O-N 3.42Å |
| 666 | T | 92.7 | Very high | 84 | Confident | 14 Ų | 14 | 65 Ų | 65 | 9% | 0.086 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127 | -176.1 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | V664 R788 C800 L802 L819 R820 | V664-T666 PolarHBondContact O-N 3.21Å; T666-R788 VanDerWaalsContact OG1-CD 3.26Å; T666-R788 WeakPolarHBondContact OG1-CD 3.37Å; T666-C800 CarbonylContact C-O 3.57Å; T666-C800 VanDerWaalsContact CA-O 3.31Å; T666-C800 WeakPolarHBondContact CA-O 3.35Å; T666-C800 HydrophobicContact CG2-CB 4.27Å; T666-L802 HydrophobicContact CG2-CD1 3.75Å; T666-L802 HydrophobicContact CG2-CG 4.06Å; T666-L819 HydrophobicContact CG2-CG 4.38Å; T666-R820 HydrophobicContact CG2-CG 4.27Å |
| 667 | V | 93.4 | Very high | 84.4 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.3 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | I669 C800 V801 L802 | V667-I669 HydrophobicContact CB-CD1 4.48Å; V667-I669 HydrophobicContact CG2-CD1 3.92Å; V667-I669 HydrophobicContact CG2-CG1 4.33Å; V667-C800 PolarHBondContact N-O 3.4Å; V667-V801 HydrophobicContact CG2-CB 4.34Å; V667-V801 HydrophobicContact CG2-CG1 4.34Å; V667-V801 HydrophobicContact CG2-CG2 3.93Å; V667-L802 PolarHBondContact O-N 2.89Å |
| 668 | A | 92.7 | Very high | 85.1 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | L802 Y804 R820 | A668-L802 WeakPolarHBondContact CA-O 3.48Å; A668-L802 HydrophobicContact CB-CB 4.18Å; A668-L802 HydrophobicContact CB-CD1 4.45Å; A668-Y804 HydrophobicContact CB-CD1 4.16Å; A668-Y804 HydrophobicContact CB-CE1 4.2Å; A668-R820 HydrophobicContact CB-CG 4.5Å |
| 669 | I | 92.4 | Very high | 85.9 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.7 | -170.8 | -59.7 | 177.5 | 0 | 0 | 0 | 108.3 | V667 R673 I677 V801 L802 L803 Y804 | V667-I669 HydrophobicContact CB-CD1 4.48Å; V667-I669 HydrophobicContact CG2-CD1 3.92Å; V667-I669 HydrophobicContact CG2-CG1 4.33Å; I669-R673 HydrophobicContact CG2-CB 3.71Å; I669-R673 HydrophobicContact CG2-CG 4.21Å; I669-I677 HydrophobicContact CD1-CD1 3.91Å; I669-V801 HydrophobicContact CD1-CG1 4.18Å; I669-L802 PolarHBondContact N-O 3.45Å; I669-L802 VanDerWaalsContact O-O 3.12Å; I669-L803 HydrophobicContact CB-CD2 4.39Å; I669-L803 HydrophobicContact CG2-CD2 4.49Å; I669-L803 WeakPolarHBondContact O-CA 3.29Å; I669-Y804 VanDerWaalsContact O-CD1 3.28Å; I669-Y804 WeakPolarHBondContact O-CD1 3.34Å; I669-Y804 PolarHBondContact O-N 2.81Å |
| 670 | P | 92.2 | Very high | 86.9 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 147.2 | 175.2 | 27.8 | -34.6 | 0 | 0 | 0 | 111.5 | T672 R673 Y804 | P670-T672 PolarHBondContact O-N 3.44Å; P670-R673 HydrophobicContact CG-CG 4.49Å; P670-R673 PolarHBondContact O-N 2.97Å; P670-Y804 CarbonylContact C-O 3.47Å; P670-Y804 WeakPolarHBondContact CA-O 3.4Å; P670-Y804 HydrophobicContact CB-CE2 3.96Å |
| 671 | D | 88.8 | Confident | 88.2 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 32% | 0.316 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -54.4 | -23.2 | 176.2 | 64.6 | -11.1 | 0 | 0 | 0 | 114.1 | R673 R674 Y804 | D671-R673 PolarHBondContact O-N 3.25Å; D671-R673 VanDerWaalsContact O-N 3.13Å; D671-R674 WeakPolarHBondContact O-CB 3.37Å; D671-R674 PolarHBondContact O-N 2.98Å; D671-Y804 PolarHBondContact N-O 3.24Å |
| 672 | T | 89.9 | Confident | 89.4 | Confident | 113 Ų | 113 | 56.2 Ų | 56.2 | 69% | 0.693 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -58.8 | -22.2 | 172.8 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | P670 | P670-T672 PolarHBondContact O-N 3.44Š|
| 673 | R | 89.3 | Confident | 90.4 | Very high | 136 Ų | 136 | 58 Ų | 58 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -98.9 | 19.8 | 176 | -59 | -168.8 | 70.7 | -179.9 | 3.9 | 113.2 | I669 P670 D671 T675 D676 I677 | I669-R673 HydrophobicContact CG2-CB 3.71Å; I669-R673 HydrophobicContact CG2-CG 4.21Å; P670-R673 HydrophobicContact CG-CG 4.49Å; P670-R673 PolarHBondContact O-N 2.97Å; D671-R673 PolarHBondContact O-N 3.25Å; D671-R673 VanDerWaalsContact O-N 3.13Å; R673-T675 PolarHBondContact O-N 2.74Å; R673-D676 IonicContact CZ-OD2 3.27Å; R673-D676 IonicContact NE-OD2 3.99Å; R673-D676 PolarHBondContact NE-OD2 3.38Å; R673-D676 IonicContact NH2-OD2 3.73Å; R673-D676 PolarHBondContact NH2-OD2 3.45Å; R673-D676 WeakPolarHBondContact O-CB 3.3Å; R673-D676 PolarHBondContact O-N 2.76Å; R673-D676 VanDerWaalsContact O-N 3.1Å; R673-I677 PolarHBondContact O-N 2.86Å |
| 674 | R | 89.9 | Confident | 91 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.6 | -38.2 | 179.4 | -175.5 | 173.1 | -174.3 | -153 | -5.7 | 112.8 | D671 D676 I677 I678 W694 E716 E774 | D671-R674 WeakPolarHBondContact O-CB 3.37Å; D671-R674 PolarHBondContact O-N 2.98Å; R674-D676 PolarHBondContact O-N 3.27Å; R674-I677 WeakPolarHBondContact O-CB 3.29Å; R674-I677 PolarHBondContact O-N 3.24Å; R674-I677 VanDerWaalsContact O-N 3.11Å; R674-I678 HydrophobicContact CG-CD1 4.3Å; R674-I678 WeakPolarHBondContact O-CG1 3.42Å; R674-I678 PolarHBondContact O-N 3.22Å; R674-W694 HydrophobicContact CG-CH2 4.26Å; R674-W694 HydrophobicContact CG-CZ2 4.35Å; R674-E716 IonicContact CZ-OE1 3.29Å; R674-E716 IonicContact CZ-OE2 3.66Å; R674-E716 VanDerWaalsContact NH1-CD 3.29Å; R674-E716 IonicContact NH1-OE1 3.63Å; R674-E716 PolarHBondContact NH1-OE1 2.72Å; R674-E716 IonicContact NH1-OE2 3.66Å; R674-E716 PolarHBondContact NH1-OE2 3.17Å; R674-E716 VanDerWaalsContact NH2-CD 3.32Å; R674-E716 IonicContact NH2-OE1 2.96Å; R674-E716 IonicContact NH2-OE2 2.77Å; R674-E716 PolarHBondContact NH2-OE2 2.79Å; R674-E774 IonicContact CZ-OE1 2.71Å; R674-E774 IonicContact NE-OE1 2.62Å; R674-E774 PolarHBondContact NE-OE1 3.48Å; R674-E774 IonicContact NH2-OE1 3.16Å; R674-E774 PolarHBondContact NH2-OE1 2.96Å |
| 675 | T | 90.3 | Very high | 91.2 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 57% | 0.571 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.2 | -44.5 | 176.8 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | R673 I677 I678 D679 | R673-T675 PolarHBondContact O-N 2.74Å; T675-I677 PolarHBondContact O-N 2.86Å; T675-I678 WeakPolarHBondContact O-CB 3.42Å; T675-I678 PolarHBondContact O-N 3.48Å; T675-I678 VanDerWaalsContact O-N 3.16Å; T675-D679 PolarHBondContact O-N 2.96Å |
| 676 | D | 91.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 177.8 | -59.1 | -9.5 | 0 | 0 | 0 | 111.6 | R673 R674 R680 | R673-D676 IonicContact CZ-OD2 3.27Å; R673-D676 IonicContact NE-OD2 3.99Å; R673-D676 PolarHBondContact NE-OD2 3.38Å; R673-D676 IonicContact NH2-OD2 3.73Å; R673-D676 PolarHBondContact NH2-OD2 3.45Å; R673-D676 WeakPolarHBondContact O-CB 3.3Å; R673-D676 PolarHBondContact O-N 2.76Å; R673-D676 VanDerWaalsContact O-N 3.1Å; R674-D676 PolarHBondContact O-N 3.27Å; D676-R680 PolarHBondContact O-N 3.12Å |
| 677 | I | 92.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.9 | -38.8 | 177.9 | -57.7 | -48.1 | 0 | 0 | 0 | 111.3 | I669 R673 R674 T675 D679 R680 V681 W694 I772 V801 L803 | I669-I677 HydrophobicContact CD1-CD1 3.91Å; R673-I677 PolarHBondContact O-N 2.86Å; R674-I677 WeakPolarHBondContact O-CB 3.29Å; R674-I677 PolarHBondContact O-N 3.24Å; R674-I677 VanDerWaalsContact O-N 3.11Å; T675-I677 PolarHBondContact O-N 2.86Å; I677-D679 VanDerWaalsContact C-N 3.29Å; I677-D679 PolarHBondContact O-N 3.33Å; I677-R680 WeakPolarHBondContact O-CB 3.18Å; I677-R680 PolarHBondContact O-N 3.02Å; I677-R680 VanDerWaalsContact O-N 3.17Å; I677-V681 WeakPolarHBondContact O-CG2 3.2Å; I677-V681 PolarHBondContact O-N 2.9Å; I677-W694 HydrophobicContact CG2-CH2 4.23Å; I677-W694 HydrophobicContact CG2-CZ3 4.03Å; I677-I772 HydrophobicContact CG2-CG1 3.8Å; I677-I772 HydrophobicContact CG2-CG2 4.19Å; I677-V801 HydrophobicContact CD1-CG1 3.84Å; I677-V801 HydrophobicContact CG1-CG1 4.13Å; I677-V801 HydrophobicContact CG2-CG1 4.49Å; I677-L803 HydrophobicContact CG1-CD1 4.48Å; I677-L803 HydrophobicContact CG1-CD2 3.87Å; I677-L803 HydrophobicContact CG2-CD1 4.4Å |
| 678 | I | 92.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.3 | -66.3 | 170.8 | 0 | 0 | 0 | 110 | R674 T675 R680 V681 R682 W694 L717 A720 L721 | R674-I678 HydrophobicContact CG-CD1 4.3Å; R674-I678 WeakPolarHBondContact O-CG1 3.42Å; R674-I678 PolarHBondContact O-N 3.22Å; T675-I678 WeakPolarHBondContact O-CB 3.42Å; T675-I678 PolarHBondContact O-N 3.48Å; T675-I678 VanDerWaalsContact O-N 3.16Å; I678-R680 VanDerWaalsContact C-N 3.33Å; I678-R680 PolarHBondContact O-N 3.19Å; I678-V681 WeakPolarHBondContact O-CB 3.33Å; I678-V681 PolarHBondContact O-N 2.77Å; I678-R682 PolarHBondContact O-N 3.09Å; I678-W694 HydrophobicContact CG1-CH2 4Å; I678-W694 HydrophobicContact CG1-CZ3 4.24Å; I678-L717 HydrophobicContact CD1-CD2 4.18Å; I678-L717 HydrophobicContact CG1-CD2 3.93Å; I678-A720 HydrophobicContact CG2-CB 4.14Å; I678-L721 HydrophobicContact CG2-CD1 4.12Å; I678-L721 HydrophobicContact CG2-CD2 3.87Å; I678-L721 HydrophobicContact CG2-CG 3.95Å |
| 679 | D | 91.2 | Very high | 90.4 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 175.4 | -69.7 | -17.8 | 0 | 0 | 0 | 112.5 | T675 I677 R682 H683 | T675-D679 PolarHBondContact O-N 2.96Å; I677-D679 VanDerWaalsContact C-N 3.29Å; I677-D679 PolarHBondContact O-N 3.33Å; D679-R682 WeakPolarHBondContact O-CB 3.04Å; D679-R682 PolarHBondContact O-N 2.71Å; D679-R682 IonicContact OD1-CZ 3.56Å; D679-R682 IonicContact OD1-NH1 3.63Å; D679-R682 PolarHBondContact OD1-NH1 3.3Å; D679-R682 IonicContact OD1-NH2 2.93Å; D679-H683 PolarHBondContact O-N 3.25Å |
| 680 | R | 90.5 | Very high | 90.3 | Very high | 91 Ų | 91 | 61.9 Ų | 61.9 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.1 | -176.9 | 62.5 | 177.1 | 155.2 | 9.2 | 112.1 | D676 I677 I678 H683 A684 E688 L770 | D676-R680 PolarHBondContact O-N 3.12Å; I677-R680 WeakPolarHBondContact O-CB 3.18Å; I677-R680 PolarHBondContact O-N 3.02Å; I677-R680 VanDerWaalsContact O-N 3.17Å; I678-R680 VanDerWaalsContact C-N 3.33Å; I678-R680 PolarHBondContact O-N 3.19Å; R680-H683 PolarHBondContact O-N 2.91Å; R680-A684 WeakPolarHBondContact O-CB 3.28Å; R680-A684 PolarHBondContact O-N 3.24Å; R680-E688 IonicContact NH1-OE1 2.79Å; R680-E688 IonicContact NH2-OE1 2.75Å; R680-L770 HydrophobicContact CG-CD2 4.46Å |
| 681 | V | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -46 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | I677 I678 H683 A684 C685 A692 W694 L721 L724 L752 L770 I772 | I677-V681 WeakPolarHBondContact O-CG2 3.2Å; I677-V681 PolarHBondContact O-N 2.9Å; I678-V681 WeakPolarHBondContact O-CB 3.33Å; I678-V681 PolarHBondContact O-N 2.77Å; V681-H683 PolarHBondContact O-N 2.96Å; V681-A684 PolarHBondContact O-N 3.34Å; V681-C685 WeakPolarHBondContact O-CB 3.22Å; V681-C685 PolarHBondContact O-N 2.96Å; V681-C685 PolarHBondContact O-SG 2.77Å; V681-A692 HydrophobicContact CG1-CB 4.29Å; V681-W694 HydrophobicContact CG2-CE3 4.31Å; V681-W694 HydrophobicContact CG2-CZ3 4.18Å; V681-L721 HydrophobicContact CG1-CD1 4.02Å; V681-L724 HydrophobicContact CG1-CD1 4.32Å; V681-L752 HydrophobicContact CG1-CD1 4Å; V681-L752 HydrophobicContact CG1-CD2 4.05Å; V681-L770 HydrophobicContact CB-CD2 4.44Å; V681-L770 HydrophobicContact CG2-CD2 3.73Å; V681-I772 HydrophobicContact CG2-CD1 3.66Å; V681-I772 HydrophobicContact CG2-CG1 4.39Å |
| 682 | R | 92.9 | Very high | 90.4 | Very high | 76 Ų | 76 | 58 Ų | 58 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.9 | -52 | 174.9 | -171.7 | -179.5 | -62.4 | 111.2 | 3.5 | 111.5 | I678 D679 C685 I686 A720 L721 E723 | I678-R682 PolarHBondContact O-N 3.09Å; D679-R682 WeakPolarHBondContact O-CB 3.04Å; D679-R682 PolarHBondContact O-N 2.71Å; D679-R682 IonicContact OD1-CZ 3.56Å; D679-R682 IonicContact OD1-NH1 3.63Å; D679-R682 PolarHBondContact OD1-NH1 3.3Å; D679-R682 IonicContact OD1-NH2 2.93Å; R682-C685 PolarHBondContact O-N 2.9Å; R682-I686 HydrophobicContact CG-CD1 3.47Å; R682-I686 VanDerWaalsContact CG-CD1 3.47Å; R682-I686 HydrophobicContact CG-CG1 4.37Å; R682-I686 WeakPolarHBondContact O-CB 3.39Å; R682-I686 VanDerWaalsContact O-CG1 3.3Å; R682-I686 WeakPolarHBondContact O-CG1 3.44Å; R682-I686 PolarHBondContact O-N 2.64Å; R682-A720 PolarHBondContact NH2-O 2.82Å; R682-L721 HydrophobicContact CB-CD2 3.68Å; R682-L721 HydrophobicContact CG-CD2 4.14Å; R682-E723 WeakPolarHBondContact CD-OE1 3.3Å; R682-E723 VanDerWaalsContact CG-OE1 3.27Å; R682-E723 WeakPolarHBondContact CG-OE1 3.37Å; R682-E723 IonicContact CZ-OE1 3.02Å; R682-E723 IonicContact NE-OE1 3.43Å; R682-E723 PolarHBondContact NE-OE1 3.09Å |
| 683 | H | 91.4 | Very high | 90.6 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 39% | 0.394 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | -179.2 | -174 | 71.9 | 0 | 0 | 0 | 112.6 | D679 R680 V681 C685 T687 E688 | D679-H683 PolarHBondContact O-N 3.25Å; R680-H683 PolarHBondContact O-N 2.91Å; V681-H683 PolarHBondContact O-N 2.96Å; H683-C685 VanDerWaalsContact C-N 3.34Å; H683-C685 PolarHBondContact O-N 2.58Å; H683-T687 PolarHBondContact ND1-OG1 2.96Å; H683-T687 WeakPolarHBondContact O-CA 3.48Å; H683-T687 WeakPolarHBondContact O-CB 3.37Å; H683-T687 PolarHBondContact O-N 2.79Å; H683-T687 PolarHBondContact O-OG1 2.62Å; H683-E688 IonicContact CD2-OE1 3.45Å; H683-E688 PolarHBondContact O-N 3.31Å |
| 684 | A | 89.3 | Confident | 90.8 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R680 V681 E688 G689 R690 L770 | R680-A684 WeakPolarHBondContact O-CB 3.28Å; R680-A684 PolarHBondContact O-N 3.24Å; V681-A684 PolarHBondContact O-N 3.34Å; A684-E688 CarbonylContact O-C 3.54Å; A684-E688 WeakPolarHBondContact O-CB 3.48Å; A684-E688 PolarHBondContact O-N 2.92Å; A684-G689 PolarHBondContact O-N 2.75Å; A684-R690 WeakPolarHBondContact O-CB 3.42Å; A684-R690 PolarHBondContact O-N 3.3Å; A684-L770 HydrophobicContact CB-CD2 4.33Å |
| 685 | C | 89.3 | Confident | 90.9 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.054 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.2 | -44 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | V681 R682 H683 G689 R690 L724 H751 | V681-C685 WeakPolarHBondContact O-CB 3.22Å; V681-C685 PolarHBondContact O-N 2.96Å; V681-C685 PolarHBondContact O-SG 2.77Å; R682-C685 PolarHBondContact O-N 2.9Å; H683-C685 VanDerWaalsContact C-N 3.34Å; H683-C685 PolarHBondContact O-N 2.58Å; C685-G689 WeakPolarHBondContact O-CA 3.15Å; C685-G689 PolarHBondContact O-N 3.11Å; C685-R690 WeakPolarHBondContact CA-O 3.32Å; C685-L724 HydrophobicContact CB-CD1 3.76Å; C685-L724 HydrophobicContact CB-CD2 3.57Å; C685-L724 HydrophobicContact CB-CG 4.35Å; C685-H751 HydrophobicContact CB-CB 4.15Å |
| 686 | I | 89.8 | Confident | 90.9 | Very high | 94 Ų | 94 | 39.5 Ų | 39.5 | 48% | 0.482 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -83.7 | -49.4 | -174.5 | -58.6 | 174.7 | 0 | 0 | 0 | 111.8 | R682 E723 L724 | R682-I686 HydrophobicContact CG-CD1 3.47Å; R682-I686 VanDerWaalsContact CG-CD1 3.47Å; R682-I686 HydrophobicContact CG-CG1 4.37Å; R682-I686 WeakPolarHBondContact O-CB 3.39Å; R682-I686 VanDerWaalsContact O-CG1 3.3Å; R682-I686 WeakPolarHBondContact O-CG1 3.44Å; R682-I686 PolarHBondContact O-N 2.64Å; I686-E723 HydrophobicContact CD1-CG 3.43Å; I686-E723 VanDerWaalsContact CD1-CG 3.43Å; I686-E723 HydrophobicContact CG1-CG 4.33Å; I686-L724 HydrophobicContact CG1-CD2 3.88Å |
| 687 | T | 88.1 | Confident | 90.4 | Very high | 96 Ų | 96 | 36.6 Ų | 36.6 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -40.5 | -172.1 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | H683 | H683-T687 PolarHBondContact ND1-OG1 2.96Å; H683-T687 WeakPolarHBondContact O-CA 3.48Å; H683-T687 WeakPolarHBondContact O-CB 3.37Å; H683-T687 PolarHBondContact O-N 2.79Å; H683-T687 PolarHBondContact O-OG1 2.62Å |
| 688 | E | 87.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 38.9 Ų | 38.9 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -95.6 | -8.5 | -177.4 | -52.6 | 177 | -159.6 | 0 | 0 | 113.1 | R680 H683 A684 R690 | R680-E688 IonicContact NH1-OE1 2.79Å; R680-E688 IonicContact NH2-OE1 2.75Å; H683-E688 IonicContact CD2-OE1 3.45Å; H683-E688 PolarHBondContact O-N 3.31Å; A684-E688 CarbonylContact O-C 3.54Å; A684-E688 WeakPolarHBondContact O-CB 3.48Å; A684-E688 PolarHBondContact O-N 2.92Å; E688-R690 VanDerWaalsContact C-N 3.28Å; E688-R690 HydrophobicContact CB-CG 3.7Å; E688-R690 PolarHBondContact O-N 3.27Å; E688-R690 PolarHBondContact O-NE 3.07Å |
| 689 | G | 87.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | trans | 66.4 | 27.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A684 C685 N767 | A684-G689 PolarHBondContact O-N 2.75Å; C685-G689 WeakPolarHBondContact O-CA 3.15Å; C685-G689 PolarHBondContact O-N 3.11Å; G689-N767 PolarHBondContact O-ND2 3.01Å; G689-N767 VanDerWaalsContact O-ND2 3.11Å | ||
| 690 | R | 89.5 | Confident | 85.3 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 26% | 0.26 | 23% | 0.231 | S | C | . | . | trans | -97.8 | 169.2 | -173.5 | -57.2 | -57.1 | 178.6 | -172 | -2.9 | 112.5 | A684 C685 E688 N767 S769 | A684-R690 WeakPolarHBondContact O-CB 3.42Å; A684-R690 PolarHBondContact O-N 3.3Å; C685-R690 WeakPolarHBondContact CA-O 3.32Å; E688-R690 VanDerWaalsContact C-N 3.28Å; E688-R690 HydrophobicContact CB-CG 3.7Å; E688-R690 PolarHBondContact O-N 3.27Å; E688-R690 PolarHBondContact O-NE 3.07Å; R690-N767 WeakPolarHBondContact CD-OD1 3.19Å; R690-N767 PolarHBondContact NH1-OD1 3.17Å; R690-S769 VanDerWaalsContact CB-OG 3.32Å; R690-S769 WeakPolarHBondContact CB-OG 3.48Å; R690-S769 WeakPolarHBondContact CG-OG 3.45Å | ||
| 691 | Q | 92.1 | Very high | 83.5 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 153.1 | 174.1 | -61.2 | 175.7 | -85.7 | 0 | 0 | 111 | F745 L750 H751 N767 A768 S769 | Q691-F745 HydrophobicContact CB-CE2 3.85Å; Q691-F745 HydrophobicContact CB-CZ 3.75Å; Q691-F745 HydrophobicContact CG-CE2 4.38Å; Q691-F745 PolarHBondContact NE2-O 2.72Å; Q691-L750 PolarHBondContact NE2-O 2.73Å; Q691-H751 CarbonylContact C-O 3.51Å; Q691-H751 WeakPolarHBondContact CA-O 3.43Å; Q691-N767 PolarHBondContact N-O 2.95Å; Q691-N767 VanDerWaalsContact N-O 3.14Å; Q691-A768 HydrophobicContact CB-CB 4.33Å; Q691-A768 VanDerWaalsContact O-CA 3.3Å; Q691-A768 WeakPolarHBondContact O-CA 3.49Å; Q691-S769 PolarHBondContact O-N 3.4Å; Q691-S769 VanDerWaalsContact O-N 3.09Å |
| 692 | A | 92.9 | Very high | 82 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V681 H751 L752 L753 L770 I772 | V681-A692 HydrophobicContact CG1-CB 4.29Å; A692-H751 PolarHBondContact N-O 2.92Å; A692-L752 HydrophobicContact CB-CD1 3.73Å; A692-L752 WeakPolarHBondContact O-CA 3.35Å; A692-L753 PolarHBondContact O-N 2.77Å; A692-L770 CarbonylContact C-O 3.55Å; A692-L770 VanDerWaalsContact CA-O 3.28Å; A692-L770 WeakPolarHBondContact CA-O 3.38Å; A692-L770 HydrophobicContact CB-CB 3.95Å; A692-L770 HydrophobicContact CB-CD2 4.22Å; A692-L770 HydrophobicContact CB-CG 4.35Å; A692-I772 HydrophobicContact CB-CD1 4.36Å |
| 693 | Y | 93 | Very high | 80.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.2 | 169.4 | -69.9 | -77 | 0 | 0 | 0 | 110.1 | F745 L753 I759 V765 A768 L770 M771 I772 R790 V791 | Y693-F745 HydrophobicContact CD1-CE1 4.09Å; Y693-F745 HydrophobicContact CD1-CZ 4.32Å; Y693-F745 HydrophobicContact CE1-CD1 4.08Å; Y693-F745 AromaticContact CE1-CE1 3.41Å; Y693-F745 HydrophobicContact CE1-CE1 3.41Å; Y693-F745 VanDerWaalsContact CE1-CE1 3.41Å; Y693-F745 HydrophobicContact CE1-CZ 4.08Å; Y693-F745 HydrophobicContact CE2-CE1 4.09Å; Y693-F745 AromaticContact CZ-CE1 3.43Å; Y693-F745 VanDerWaalsContact CZ-CE1 3.43Å; Y693-L753 HydrophobicContact CD1-CB 4.12Å; Y693-L753 HydrophobicContact CD1-CD2 3.92Å; Y693-L753 HydrophobicContact CE1-CB 4.48Å; Y693-L753 HydrophobicContact CE1-CD2 3.72Å; Y693-I759 HydrophobicContact CD1-CD1 3.58Å; Y693-I759 HydrophobicContact CE1-CD1 4.12Å; Y693-I759 HydrophobicContact CG-CD1 4.11Å; Y693-V765 WeakPolarHBondContact OH-CG2 3.27Å; Y693-A768 HydrophobicContact CD2-CB 3.94Å; Y693-A768 HydrophobicContact CE2-CB 3.42Å; Y693-A768 VanDerWaalsContact CE2-CB 3.42Å; Y693-L770 PolarHBondContact N-O 3.38Å; Y693-M771 VanDerWaalsContact CB-CE 3.46Å; Y693-M771 HydrophobicContact CD2-CE 3.56Å; Y693-M771 HydrophobicContact CE2-CE 4.41Å; Y693-M771 HydrophobicContact CG-CE 3.65Å; Y693-M771 HydrophobicContact CG-SD 4.46Å; Y693-I772 WeakPolarHBondContact O-CD1 3.45Å; Y693-I772 PolarHBondContact O-N 3.26Å; Y693-R790 HydrophobicContact CE2-CB 4.46Å; Y693-V791 HydrophobicContact CD2-CG1 4Å; Y693-V791 HydrophobicContact CE2-CG1 4.37Å |
| 694 | W | 94.1 | Very high | 79.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 108.6 | 173.3 | -166.9 | -67.7 | 0 | 0 | 0 | 109.7 | R674 I677 I678 V681 L717 L752 L753 V754 A755 I772 E774 L803 | R674-W694 HydrophobicContact CG-CH2 4.26Å; R674-W694 HydrophobicContact CG-CZ2 4.35Å; I677-W694 HydrophobicContact CG2-CH2 4.23Å; I677-W694 HydrophobicContact CG2-CZ3 4.03Å; I678-W694 HydrophobicContact CG1-CH2 4Å; I678-W694 HydrophobicContact CG1-CZ3 4.24Å; V681-W694 HydrophobicContact CG2-CE3 4.31Å; V681-W694 HydrophobicContact CG2-CZ3 4.18Å; W694-L717 HydrophobicContact CB-CD1 4.33Å; W694-L717 HydrophobicContact CD2-CD1 3.65Å; W694-L717 HydrophobicContact CE3-CD1 3.96Å; W694-L717 HydrophobicContact CE3-CD2 4.18Å; W694-L717 HydrophobicContact CG-CD1 3.8Å; W694-L717 HydrophobicContact CH2-CD2 4.17Å; W694-L717 HydrophobicContact CZ2-CD2 4.5Å; W694-L717 HydrophobicContact CZ3-CD2 4Å; W694-L752 HydrophobicContact CB-CD1 4.15Å; W694-L753 PolarHBondContact N-O 2.82Å; W694-V754 HydrophobicContact CB-CG2 4.31Å; W694-V754 CarbonylContact O-C 3.51Å; W694-V754 WeakPolarHBondContact O-CA 3.36Å; W694-A755 PolarHBondContact O-N 2.81Å; W694-I772 CarbonylContact C-O 3.5Å; W694-I772 HydrophobicContact CD2-CB 4.13Å; W694-I772 HydrophobicContact CD2-CG2 3.95Å; W694-I772 HydrophobicContact CE3-CB 4.01Å; W694-I772 HydrophobicContact CE3-CD1 4.1Å; W694-I772 HydrophobicContact CE3-CG1 4.04Å; W694-I772 HydrophobicContact CE3-CG2 3.98Å; W694-I772 HydrophobicContact CG-CB 4.47Å; W694-I772 HydrophobicContact CH2-CG2 4.23Å; W694-I772 HydrophobicContact CZ2-CG2 4.2Å; W694-I772 HydrophobicContact CZ3-CG1 4.3Å; W694-I772 HydrophobicContact CZ3-CG2 4.13Å; W694-E774 HydrophobicContact CZ2-CG 4.27Å; W694-E774 WeakPolarHBondContact CZ2-OE1 3.27Å; W694-E774 PolarHBondContact NE1-OE1 3.44Å; W694-L803 HydrophobicContact CH2-CD1 4.18Å; W694-L803 HydrophobicContact CZ2-CD1 4.04Å |
| 695 | V | 92.3 | Very high | 78.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.4 | -173 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | T697 A755 I759 M771 I772 I773 E774 L787 | V695-T697 HydrophobicContact CG1-CG2 4.32Å; V695-A755 CarbonylContact C-O 3.53Å; V695-A755 VanDerWaalsContact CA-O 3.25Å; V695-A755 WeakPolarHBondContact CA-O 3.11Å; V695-I759 HydrophobicContact CG2-CD1 3.6Å; V695-I759 HydrophobicContact CG2-CG1 4.19Å; V695-M771 HydrophobicContact CG2-SD 3.71Å; V695-I772 PolarHBondContact N-O 3.01Å; V695-I773 HydrophobicContact CB-CG1 4.43Å; V695-E774 PolarHBondContact O-N 3.46Å; V695-L787 HydrophobicContact CG1-CD1 4.16Å; V695-L787 HydrophobicContact CG2-CD2 4.3Å |
| 696 | C | 89.3 | Confident | 77.2 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | trans | -92.7 | 129.6 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 110 | A710 T713 A755 E774 | C696-A710 HydrophobicContact CB-CB 4.37Å; C696-T713 VanDerWaalsContact SG-CB 3.59Å; C696-T713 PolarHBondContact SG-OG1 2.87Å; C696-A755 PolarHBondContact N-O 2.83Å; C696-E774 PolarHBondContact SG-OE2 2.8Å | ||
| 697 | T | 80.5 | Confident | 76.3 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | trans | -119.5 | 138.8 | 178.4 | 71.8 | 0 | 0 | 0 | 0 | 110 | V695 T757 I773 E774 N775 L779 | V695-T697 HydrophobicContact CG1-CG2 4.32Å; T697-T757 HydrophobicContact CG2-CG2 4.49Å; T697-I773 HydrophobicContact CG2-CG2 4.32Å; T697-E774 VanDerWaalsContact CG2-O 3.3Å; T697-E774 WeakPolarHBondContact CG2-O 3.46Å; T697-E774 PolarHBondContact OG1-O 3.39Å; T697-N775 VanDerWaalsContact OG1-CB 3.26Å; T697-N775 WeakPolarHBondContact OG1-CB 3.28Å; T697-N775 PolarHBondContact OG1-O 2.98Å; T697-N775 VanDerWaalsContact OG1-O 3.08Å; T697-L779 HydrophobicContact CG2-CD1 3.51Å; T697-L779 HydrophobicContact CG2-CD2 3.97Å; T697-L779 HydrophobicContact CG2-CG 3.71Å | ||
| 698 | L | 66.4 | Low | 75.9 | Confident | 60 Ų | 60 | 55 Ų | 55 | 31% | 0.314 | 28% | 0.281 | S | S | . | . | trans | -130.5 | 162.8 | 179 | -104.6 | 173.5 | 0 | 0 | 0 | 111.7 | L705 E706 A709 | L698-L705 HydrophobicContact CD1-CB 4.07Å; L698-L705 WeakPolarHBondContact CD1-O 3.2Å; L698-E706 HydrophobicContact CB-CG 3.93Å; L698-A709 HydrophobicContact CD1-CB 3.3Å; L698-A709 HydrophobicContact CG-CB 4Å | ||
| 699 | I | 51.5 | Low | 75.6 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 56% | 0.564 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -83.9 | -28.2 | -164.4 | -37.3 | -175.2 | 0 | 0 | 0 | 112.8 | R778 | I699-R778 VanDerWaalsContact CD1-NH2 3.29Š|
| 700 | E | 50.7 | Low | 75.5 | Confident | 118 Ų | 118 | 50.6 Ų | 50.6 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -104 | 140.8 | -163.1 | -62.9 | -173.5 | -167.5 | 0 | 0 | 110.1 | S702 L705 | E700-S702 PolarHBondContact O-N 2.63Å; E700-L705 HydrophobicContact CB-CD1 3.94Å; E700-L705 HydrophobicContact CG-CD1 4.23Å; E700-L705 WeakPolarHBondContact OE2-CD1 3.44Å |
| 701 | E | 53.9 | Low | 75.4 | Confident | 210 Ų | 210 | 51.3 Ų | 51.3 | 98% | 0.981 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -61.3 | 8.7 | 176.2 | -61.9 | 180 | 163.7 | 0 | 0 | 113.7 | ||
| 702 | S | 61 | Low | 75.3 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | trans | -91 | 104.9 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | E700 L704 L705 E706 | E700-S702 PolarHBondContact O-N 2.63Å; S702-L704 PolarHBondContact O-N 3.12Å; S702-L704 WeakPolarHBondContact OG-CB 3.36Å; S702-L705 PolarHBondContact O-N 3.49Å; S702-E706 PolarHBondContact O-N 3.23Å | ||
| 703 | E | 60.1 | Low | 75.2 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -53.9 | -21.1 | 170.5 | -64.2 | -172.1 | 166.7 | 0 | 0 | 113.2 | A707 R732 | E703-A707 WeakPolarHBondContact O-CB 3.33Å; E703-A707 PolarHBondContact O-N 2.96Å; E703-R732 HydrophobicContact CB-CG 4.32Å; E703-R732 WeakPolarHBondContact O-CD 3.44Å |
| 704 | L | 65.7 | Low | 75.2 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 175 | -173.5 | 86 | 0 | 0 | 0 | 111.3 | S702 A707 Q708 R732 | S702-L704 PolarHBondContact O-N 3.12Å; S702-L704 WeakPolarHBondContact OG-CB 3.36Å; L704-A707 PolarHBondContact O-N 3Å; L704-Q708 WeakPolarHBondContact O-CG 3.4Å; L704-Q708 PolarHBondContact O-N 2.93Å; L704-Q708 VanDerWaalsContact O-N 3.08Å; L704-R732 VanDerWaalsContact CD1-CZ 3.41Å |
| 705 | L | 70.5 | Confident | 75.1 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | -176 | -68 | 170.8 | 0 | 0 | 0 | 110.3 | L698 E700 S702 A707 Q708 A709 | L698-L705 HydrophobicContact CD1-CB 4.07Å; L698-L705 WeakPolarHBondContact CD1-O 3.2Å; E700-L705 HydrophobicContact CB-CD1 3.94Å; E700-L705 HydrophobicContact CG-CD1 4.23Å; E700-L705 WeakPolarHBondContact OE2-CD1 3.44Å; S702-L705 PolarHBondContact O-N 3.49Å; L705-A707 VanDerWaalsContact C-N 3.3Å; L705-A707 PolarHBondContact O-N 3.01Å; L705-Q708 PolarHBondContact O-N 2.83Å; L705-Q708 VanDerWaalsContact O-N 3.13Å; L705-A709 PolarHBondContact O-N 3.02Å |
| 706 | E | 64.6 | Low | 75.1 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.2 | -45 | 174.4 | -69.7 | -166.1 | 156 | 0 | 0 | 112.4 | L698 S702 A709 A710 T756 | L698-E706 HydrophobicContact CB-CG 3.93Å; S702-E706 PolarHBondContact O-N 3.23Å; E706-A709 PolarHBondContact O-N 2.82Å; E706-A710 PolarHBondContact O-N 3.3Å; E706-A710 VanDerWaalsContact O-N 3.13Å; E706-T756 HydrophobicContact CB-CG2 4.15Å |
| 707 | A | 70.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E703 L704 L705 A709 A710 E711 H730 R732 | E703-A707 WeakPolarHBondContact O-CB 3.33Å; E703-A707 PolarHBondContact O-N 2.96Å; L704-A707 PolarHBondContact O-N 3Å; L705-A707 VanDerWaalsContact C-N 3.3Å; L705-A707 PolarHBondContact O-N 3.01Å; A707-A709 PolarHBondContact O-N 3.37Å; A707-A710 PolarHBondContact O-N 3.42Å; A707-E711 WeakPolarHBondContact O-CB 3.35Å; A707-E711 WeakPolarHBondContact O-CG 3.46Å; A707-E711 PolarHBondContact O-N 3.37Å; A707-H730 HydrophobicContact CB-CB 4.24Å; A707-H730 VanDerWaalsContact CB-ND1 3.27Å; A707-H730 WeakPolarHBondContact CB-ND1 3.17Å; A707-R732 HydrophobicContact CB-CG 4.28Å |
| 708 | Q | 80 | Confident | 75.8 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 179.7 | -74.4 | 175.3 | -17.8 | 0 | 0 | 113 | L704 L705 E711 A712 | L704-Q708 WeakPolarHBondContact O-CG 3.4Å; L704-Q708 PolarHBondContact O-N 2.93Å; L704-Q708 VanDerWaalsContact O-N 3.08Å; L705-Q708 PolarHBondContact O-N 2.83Å; L705-Q708 VanDerWaalsContact O-N 3.13Å; Q708-E711 PolarHBondContact O-N 3.25Å; Q708-A712 WeakPolarHBondContact O-CB 3.38Å; Q708-A712 PolarHBondContact O-N 3.23Å |
| 709 | A | 81.3 | Confident | 77 | Confident | 28 Ų | 28 | 75.9 Ų | 75.9 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L698 L705 E706 A707 E711 A712 T713 | L698-A709 HydrophobicContact CD1-CB 3.3Å; L698-A709 HydrophobicContact CG-CB 4Å; L705-A709 PolarHBondContact O-N 3.02Å; E706-A709 PolarHBondContact O-N 2.82Å; A707-A709 PolarHBondContact O-N 3.37Å; A709-E711 VanDerWaalsContact C-N 3.3Å; A709-E711 PolarHBondContact O-N 2.87Å; A709-A712 PolarHBondContact O-N 3.23Å; A709-T713 WeakPolarHBondContact O-CB 3.47Å; A709-T713 PolarHBondContact O-N 2.97Å; A709-T713 PolarHBondContact O-OG1 3.11Å; A709-T713 VanDerWaalsContact O-OG1 3.1Å |
| 710 | A | 85.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C696 E706 A707 W714 L728 H730 V754 T756 | C696-A710 HydrophobicContact CB-CB 4.37Å; E706-A710 PolarHBondContact O-N 3.3Å; E706-A710 VanDerWaalsContact O-N 3.13Å; A707-A710 PolarHBondContact O-N 3.42Å; A710-W714 WeakPolarHBondContact O-CB 3.11Å; A710-W714 PolarHBondContact O-N 3.18Å; A710-L728 HydrophobicContact CB-CD1 3.77Å; A710-L728 WeakPolarHBondContact O-CD1 3.46Å; A710-H730 HydrophobicContact CB-CB 4.44Å; A710-V754 WeakPolarHBondContact O-CG1 3.36Å; A710-T756 HydrophobicContact CB-CG2 3.89Å |
| 711 | E | 88.5 | Confident | 80.9 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.1 | -76.1 | 171 | -171 | 0 | 0 | 111.9 | A707 Q708 A709 W714 E715 L728 H730 | A707-E711 WeakPolarHBondContact O-CB 3.35Å; A707-E711 WeakPolarHBondContact O-CG 3.46Å; A707-E711 PolarHBondContact O-N 3.37Å; Q708-E711 PolarHBondContact O-N 3.25Å; A709-E711 VanDerWaalsContact C-N 3.3Å; A709-E711 PolarHBondContact O-N 2.87Å; E711-W714 WeakPolarHBondContact O-CB 3.48Å; E711-W714 PolarHBondContact O-N 2.87Å; E711-E715 PolarHBondContact O-N 3.12Å; E711-L728 HydrophobicContact CB-CD2 4.42Å; E711-L728 HydrophobicContact CG-CD2 3.64Å; E711-H730 IonicContact OE1-CE1 3.05Å; E711-H730 IonicContact OE1-NE2 3.98Å |
| 712 | A | 89.5 | Confident | 82.6 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q708 A709 W714 E715 E716 | Q708-A712 WeakPolarHBondContact O-CB 3.38Å; Q708-A712 PolarHBondContact O-N 3.23Å; A709-A712 PolarHBondContact O-N 3.23Å; A712-W714 VanDerWaalsContact C-N 3.29Å; A712-W714 PolarHBondContact O-N 2.81Å; A712-E715 PolarHBondContact O-N 3.27Å; A712-E716 WeakPolarHBondContact O-CB 3.33Å; A712-E716 PolarHBondContact O-N 3Å |
| 713 | T | 89.5 | Confident | 84 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | C696 A709 E716 L717 V754 | C696-T713 VanDerWaalsContact SG-CB 3.59Å; C696-T713 PolarHBondContact SG-OG1 2.87Å; A709-T713 WeakPolarHBondContact O-CB 3.47Å; A709-T713 PolarHBondContact O-N 2.97Å; A709-T713 PolarHBondContact O-OG1 3.11Å; A709-T713 VanDerWaalsContact O-OG1 3.1Å; T713-E716 PolarHBondContact O-N 2.84Å; T713-L717 HydrophobicContact CG2-CD1 3.71Å; T713-L717 HydrophobicContact CG2-CG 4.25Å; T713-L717 WeakPolarHBondContact O-CB 3.31Å; T713-L717 VanDerWaalsContact O-CG 3.27Å; T713-L717 WeakPolarHBondContact O-CG 3.46Å; T713-L717 PolarHBondContact O-N 2.95Å; T713-V754 HydrophobicContact CG2-CG1 4.28Å |
| 714 | W | 93.2 | Very high | 85.5 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175 | 172.9 | 78.7 | 0 | 0 | 0 | 112.5 | A710 E711 A712 K718 V726 L728 V754 | A710-W714 WeakPolarHBondContact O-CB 3.11Å; A710-W714 PolarHBondContact O-N 3.18Å; E711-W714 WeakPolarHBondContact O-CB 3.48Å; E711-W714 PolarHBondContact O-N 2.87Å; A712-W714 VanDerWaalsContact C-N 3.29Å; A712-W714 PolarHBondContact O-N 2.81Å; W714-K718 HydrophobicContact CH2-CD 4.45Å; W714-K718 HydrophobicContact CZ2-CD 4.17Å; W714-K718 VanDerWaalsContact O-CB 3.24Å; W714-K718 WeakPolarHBondContact O-CB 3.39Å; W714-K718 PolarHBondContact O-N 2.67Å; W714-V726 PolarHBondContact NE1-O 3.02Å; W714-L728 HydrophobicContact CB-CB 4.34Å; W714-L728 HydrophobicContact CB-CD1 4.09Å; W714-L728 HydrophobicContact CB-CD2 4.41Å; W714-L728 HydrophobicContact CD2-CB 4.22Å; W714-L728 HydrophobicContact CD2-CD2 4.36Å; W714-L728 HydrophobicContact CE3-CD2 4.47Å; W714-L728 HydrophobicContact CG-CB 3.85Å; W714-L728 HydrophobicContact CG-CD2 4.35Å; W714-L728 HydrophobicContact CG-CG 4.45Å; W714-V754 HydrophobicContact CB-CB 4.21Å; W714-V754 HydrophobicContact CB-CG1 4.24Å; W714-V754 HydrophobicContact CB-CG2 4.27Å |
| 715 | E | 92.3 | Very high | 86.9 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 174.3 | -69.9 | -152 | 165.1 | 0 | 0 | 112.1 | E711 A712 L717 K718 L719 | E711-E715 PolarHBondContact O-N 3.12Å; A712-E715 PolarHBondContact O-N 3.27Å; E715-L717 PolarHBondContact O-N 2.87Å; E715-K718 PolarHBondContact O-N 3.39Å; E715-L719 WeakPolarHBondContact O-CG 3.48Å; E715-L719 PolarHBondContact O-N 2.98Å |
| 716 | E | 92.1 | Very high | 88 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 177.6 | -172.8 | -175.8 | 172.1 | 0 | 0 | 111.8 | R674 A712 T713 L719 A720 | R674-E716 IonicContact CZ-OE1 3.29Å; R674-E716 IonicContact CZ-OE2 3.66Å; R674-E716 VanDerWaalsContact NH1-CD 3.29Å; R674-E716 IonicContact NH1-OE1 3.63Å; R674-E716 PolarHBondContact NH1-OE1 2.72Å; R674-E716 IonicContact NH1-OE2 3.66Å; R674-E716 PolarHBondContact NH1-OE2 3.17Å; R674-E716 VanDerWaalsContact NH2-CD 3.32Å; R674-E716 IonicContact NH2-OE1 2.96Å; R674-E716 IonicContact NH2-OE2 2.77Å; R674-E716 PolarHBondContact NH2-OE2 2.79Å; A712-E716 WeakPolarHBondContact O-CB 3.33Å; A712-E716 PolarHBondContact O-N 3Å; T713-E716 PolarHBondContact O-N 2.84Å; E716-L719 PolarHBondContact O-N 3.13Å; E716-A720 WeakPolarHBondContact O-CB 3.28Å; E716-A720 PolarHBondContact O-N 2.85Å |
| 717 | L | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.5 | -34.9 | -179.7 | -71.7 | 170.3 | 0 | 0 | 0 | 112.3 | I678 W694 T713 E715 L719 A720 L721 L752 V754 | I678-L717 HydrophobicContact CD1-CD2 4.18Å; I678-L717 HydrophobicContact CG1-CD2 3.93Å; W694-L717 HydrophobicContact CB-CD1 4.33Å; W694-L717 HydrophobicContact CD2-CD1 3.65Å; W694-L717 HydrophobicContact CE3-CD1 3.96Å; W694-L717 HydrophobicContact CE3-CD2 4.18Å; W694-L717 HydrophobicContact CG-CD1 3.8Å; W694-L717 HydrophobicContact CH2-CD2 4.17Å; W694-L717 HydrophobicContact CZ2-CD2 4.5Å; W694-L717 HydrophobicContact CZ3-CD2 4Å; T713-L717 HydrophobicContact CG2-CD1 3.71Å; T713-L717 HydrophobicContact CG2-CG 4.25Å; T713-L717 WeakPolarHBondContact O-CB 3.31Å; T713-L717 VanDerWaalsContact O-CG 3.27Å; T713-L717 WeakPolarHBondContact O-CG 3.46Å; T713-L717 PolarHBondContact O-N 2.95Å; E715-L717 PolarHBondContact O-N 2.87Å; L717-L719 VanDerWaalsContact C-N 3.3Å; L717-L719 PolarHBondContact O-N 2.97Å; L717-A720 PolarHBondContact O-N 3.41Å; L717-L721 HydrophobicContact CD2-CD1 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.33Å; L717-L721 PolarHBondContact O-N 2.57Å; L717-L752 HydrophobicContact CB-CD2 4.33Å; L717-L752 HydrophobicContact CD1-CD2 4.08Å; L717-V754 HydrophobicContact CD1-CG2 3.63Å |
| 718 | K | 92.4 | Very high | 90.4 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 174.2 | -172.1 | 179.3 | -179.3 | -178 | 0 | 111.9 | W714 E715 | W714-K718 HydrophobicContact CH2-CD 4.45Å; W714-K718 HydrophobicContact CZ2-CD 4.17Å; W714-K718 VanDerWaalsContact O-CB 3.24Å; W714-K718 WeakPolarHBondContact O-CB 3.39Å; W714-K718 PolarHBondContact O-N 2.67Å; E715-K718 PolarHBondContact O-N 3.39Å |
| 719 | L | 92.3 | Very high | 90.8 | Very high | 144 Ų | 144 | 51.6 Ų | 51.6 | 75% | 0.754 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.9 | -37.6 | 173.7 | -72.8 | 168.2 | 0 | 0 | 0 | 112.4 | E715 E716 L717 | E715-L719 WeakPolarHBondContact O-CG 3.48Å; E715-L719 PolarHBondContact O-N 2.98Å; E716-L719 PolarHBondContact O-N 3.13Å; L717-L719 VanDerWaalsContact C-N 3.3Å; L717-L719 PolarHBondContact O-N 2.97Å |
| 720 | A | 91.5 | Very high | 91 | Very high | 35 Ų | 35 | 51 Ų | 51 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -79.8 | -23 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I678 R682 E716 L717 P722 | I678-A720 HydrophobicContact CG2-CB 4.14Å; R682-A720 PolarHBondContact NH2-O 2.82Å; E716-A720 WeakPolarHBondContact O-CB 3.28Å; E716-A720 PolarHBondContact O-N 2.85Å; L717-A720 PolarHBondContact O-N 3.41Å; A720-P722 VanDerWaalsContact C-CD 3.44Å |
| 721 | L | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -129.6 | 59.3 | -176.7 | -59.3 | 165 | 0 | 0 | 0 | 110.7 | I678 V681 R682 L717 E723 L724 L752 | I678-L721 HydrophobicContact CG2-CD1 4.12Å; I678-L721 HydrophobicContact CG2-CD2 3.87Å; I678-L721 HydrophobicContact CG2-CG 3.95Å; V681-L721 HydrophobicContact CG1-CD1 4.02Å; R682-L721 HydrophobicContact CB-CD2 3.68Å; R682-L721 HydrophobicContact CG-CD2 4.14Å; L717-L721 HydrophobicContact CD2-CD1 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.33Å; L717-L721 PolarHBondContact O-N 2.57Å; L721-E723 PolarHBondContact O-N 3.19Å; L721-E723 VanDerWaalsContact O-N 3.1Å; L721-L724 HydrophobicContact CB-CB 4.27Å; L721-L724 HydrophobicContact CB-CD1 4.12Å; L721-L724 HydrophobicContact CB-CG 4.23Å; L721-L724 HydrophobicContact CD1-CD1 4.09Å; L721-L724 HydrophobicContact CD2-CD1 4.3Å; L721-L724 HydrophobicContact CG-CD1 4.4Å; L721-L724 PolarHBondContact O-N 2.99Å; L721-L752 HydrophobicContact CD1-CD2 3.9Å | ||
| 722 | P | 90.5 | Very high | 90.1 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 66% | 0.662 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.2 | -176.5 | 26.4 | -36 | 0 | 0 | 0 | 113.7 | A720 L724 | A720-P722 VanDerWaalsContact C-CD 3.44Å; P722-L724 VanDerWaalsContact C-N 3.32Å |
| 723 | E | 90.8 | Very high | 89.7 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8 | 176.2 | 66.3 | -76.7 | 178.3 | 0 | 0 | 114.7 | R682 I686 L721 | R682-E723 WeakPolarHBondContact CD-OE1 3.3Å; R682-E723 VanDerWaalsContact CG-OE1 3.27Å; R682-E723 WeakPolarHBondContact CG-OE1 3.37Å; R682-E723 IonicContact CZ-OE1 3.02Å; R682-E723 IonicContact NE-OE1 3.43Å; R682-E723 PolarHBondContact NE-OE1 3.09Å; I686-E723 HydrophobicContact CD1-CG 3.43Å; I686-E723 VanDerWaalsContact CD1-CG 3.43Å; I686-E723 HydrophobicContact CG1-CG 4.33Å; L721-E723 PolarHBondContact O-N 3.19Å; L721-E723 VanDerWaalsContact O-N 3.1Å |
| 724 | L | 91.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -110.9 | 143.3 | -179.3 | -59.5 | -174.6 | 0 | 0 | 0 | 112.4 | V681 C685 I686 L721 P722 V726 H751 | V681-L724 HydrophobicContact CG1-CD1 4.32Å; C685-L724 HydrophobicContact CB-CD1 3.76Å; C685-L724 HydrophobicContact CB-CD2 3.57Å; C685-L724 HydrophobicContact CB-CG 4.35Å; I686-L724 HydrophobicContact CG1-CD2 3.88Å; L721-L724 HydrophobicContact CB-CB 4.27Å; L721-L724 HydrophobicContact CB-CD1 4.12Å; L721-L724 HydrophobicContact CB-CG 4.23Å; L721-L724 HydrophobicContact CD1-CD1 4.09Å; L721-L724 HydrophobicContact CD2-CD1 4.3Å; L721-L724 HydrophobicContact CG-CD1 4.4Å; L721-L724 PolarHBondContact O-N 2.99Å; P722-L724 VanDerWaalsContact C-N 3.32Å; L724-V726 HydrophobicContact CB-CG2 4.43Å; L724-V726 PolarHBondContact O-N 3.2Å; L724-H751 HydrophobicContact CB-CB 4.35Å; L724-H751 HydrophobicContact CD2-CB 4.13Å |
| 725 | N | 93.2 | Very high | 88 | Confident | 91 Ų | 91 | 59 Ų | 59 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | trans | -80.5 | 105.2 | 168.8 | -67.1 | -28.4 | 0 | 0 | 0 | 109.3 | E749 L750 H751 L752 | N725-E749 WeakPolarHBondContact CB-O 3.43Å; N725-E749 PolarHBondContact ND2-O 2.9Å; N725-L750 HydrophobicContact CB-CD2 4.05Å; N725-L750 CarbonylContact O-C 3.58Å; N725-H751 PolarHBondContact N-ND1 3.36Å; N725-H751 PolarHBondContact O-N 2.79Å; N725-L752 PolarHBondContact O-N 2.88Å | ||
| 726 | V | 94.1 | Very high | 87.3 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.2 | -178.8 | -168.1 | 0 | 0 | 0 | 0 | 110.5 | W714 L724 L752 V754 | W714-V726 PolarHBondContact NE1-O 3.02Å; L724-V726 HydrophobicContact CB-CG2 4.43Å; L724-V726 PolarHBondContact O-N 3.2Å; V726-L752 CarbonylContact C-O 3.51Å; V726-L752 WeakPolarHBondContact CA-O 3.49Å; V726-L752 HydrophobicContact CG1-CB 4.23Å; V726-L752 HydrophobicContact CG1-CD2 4.01Å; V726-L752 HydrophobicContact CG1-CG 4.07Å; V726-L752 HydrophobicContact CG2-CB 4.31Å; V726-L752 HydrophobicContact CG2-CD2 4.16Å; V726-V754 HydrophobicContact CG1-CG2 3.78Å |
| 727 | G | 92.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 162.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L752 V754 | G727-L752 PolarHBondContact N-O 3.38Å; G727-V754 PolarHBondContact O-N 3.46Å |
| 728 | L | 92.8 | Very high | 86.2 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.5 | 177.9 | 173.8 | 63.7 | 0 | 0 | 0 | 110.6 | A710 E711 W714 M733 V754 | A710-L728 HydrophobicContact CB-CD1 3.77Å; A710-L728 WeakPolarHBondContact O-CD1 3.46Å; E711-L728 HydrophobicContact CB-CD2 4.42Å; E711-L728 HydrophobicContact CG-CD2 3.64Å; W714-L728 HydrophobicContact CB-CB 4.34Å; W714-L728 HydrophobicContact CB-CD1 4.09Å; W714-L728 HydrophobicContact CB-CD2 4.41Å; W714-L728 HydrophobicContact CD2-CB 4.22Å; W714-L728 HydrophobicContact CD2-CD2 4.36Å; W714-L728 HydrophobicContact CE3-CD2 4.47Å; W714-L728 HydrophobicContact CG-CB 3.85Å; W714-L728 HydrophobicContact CG-CD2 4.35Å; W714-L728 HydrophobicContact CG-CG 4.45Å; L728-M733 WeakPolarHBondContact O-CE 3.19Å; L728-V754 CarbonylContact C-O 3.52Å; L728-V754 VanDerWaalsContact CA-O 3.28Å; L728-V754 WeakPolarHBondContact CA-O 3.44Å; L728-V754 HydrophobicContact CD1-CB 4.33Å; L728-V754 HydrophobicContact CD1-CG1 4.2Å |
| 729 | V | 88.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 114.3 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | M733 K738 V741 M742 L753 V754 A755 T756 | V729-M733 VanDerWaalsContact CA-SD 3.57Å; V729-K738 HydrophobicContact CG1-CG 4.35Å; V729-V741 HydrophobicContact CG2-CB 3.9Å; V729-V741 HydrophobicContact CG2-CG1 3.51Å; V729-M742 HydrophobicContact CB-SD 4.43Å; V729-M742 HydrophobicContact CG1-SD 4.36Å; V729-M742 HydrophobicContact CG2-SD 3.77Å; V729-L753 HydrophobicContact CG2-CD1 3.9Å; V729-V754 PolarHBondContact N-O 3.38Å; V729-A755 HydrophobicContact CB-CB 4.44Å; V729-A755 WeakPolarHBondContact O-CA 3.48Å; V729-T756 PolarHBondContact O-N 2.93Å; V729-T756 VanDerWaalsContact O-N 3.08Å |
| 730 | H | 85.5 | Confident | 85 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.069 | 29% | 0.292 | C | S | . | . | trans | -134.3 | 162.5 | 176.4 | 63.3 | 88.8 | 0 | 0 | 0 | 113.6 | A707 A710 E711 R732 M733 K738 T756 | A707-H730 HydrophobicContact CB-CB 4.24Å; A707-H730 VanDerWaalsContact CB-ND1 3.27Å; A707-H730 WeakPolarHBondContact CB-ND1 3.17Å; A710-H730 HydrophobicContact CB-CB 4.44Å; E711-H730 IonicContact OE1-CE1 3.05Å; E711-H730 IonicContact OE1-NE2 3.98Å; H730-R732 PolarHBondContact ND1-N 3Å; H730-R732 PolarHBondContact O-N 3.4Å; H730-M733 WeakPolarHBondContact NE2-CG 3.49Å; H730-M733 PolarHBondContact O-N 3.07Å; H730-M733 VanDerWaalsContact O-N 3.13Å; H730-K738 WeakPolarHBondContact O-CE 3.24Å; H730-K738 PolarHBondContact O-NZ 2.84Å; H730-T756 WeakPolarHBondContact CA-OG1 3.4Å; H730-T756 HydrophobicContact CB-CG2 3.78Å | ||
| 731 | G | 75.1 | Confident | 84.8 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -35.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K738 | G731-K738 PolarHBondContact O-NZ 3.46Š|
| 732 | R | 79.5 | Confident | 84.4 | Confident | 139 Ų | 139 | 53.1 Ų | 53.1 | 53% | 0.525 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13 | -174.8 | -59.5 | 176.2 | 62.7 | 110.6 | -1.2 | 116 | E703 L704 A707 H730 | E703-R732 HydrophobicContact CB-CG 4.32Å; E703-R732 WeakPolarHBondContact O-CD 3.44Å; L704-R732 VanDerWaalsContact CD1-CZ 3.41Å; A707-R732 HydrophobicContact CB-CG 4.28Å; H730-R732 PolarHBondContact ND1-N 3Å; H730-R732 PolarHBondContact O-N 3.4Å |
| 733 | M | 81.8 | Confident | 84 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -62.6 | 149.3 | 178.4 | -67.1 | 177.3 | 70.4 | 0 | 0 | 111.5 | L728 V729 H730 E737 K738 V741 | L728-M733 WeakPolarHBondContact O-CE 3.19Å; V729-M733 VanDerWaalsContact CA-SD 3.57Å; H730-M733 WeakPolarHBondContact NE2-CG 3.49Å; H730-M733 PolarHBondContact O-N 3.07Å; H730-M733 VanDerWaalsContact O-N 3.13Å; M733-E737 HydrophobicContact CE-CB 3.99Å; M733-K738 HydrophobicContact CB-CD 4.37Å; M733-K738 HydrophobicContact CB-CG 3.63Å; M733-K738 VanDerWaalsContact O-CE 3.23Å; M733-K738 WeakPolarHBondContact O-CE 3.38Å; M733-V741 HydrophobicContact CE-CG2 4.13Å |
| 734 | K | 78.8 | Confident | 83.9 | Confident | 139 Ų | 139 | 47.7 Ų | 47.7 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | trans | -63.8 | 145.3 | 176.1 | -65.3 | 179.4 | -170.8 | 155.3 | 0 | 109.4 | A736 E737 K738 | K734-A736 VanDerWaalsContact C-N 3.25Å; K734-A736 PolarHBondContact O-N 3.18Å; K734-E737 HydrophobicContact CB-CB 4.46Å; K734-E737 HydrophobicContact CB-CG 4.1Å; K734-E737 WeakPolarHBondContact CD-OE1 3.28Å; K734-E737 PolarHBondContact N-OE2 3.04Å; K734-E737 WeakPolarHBondContact O-CB 3.32Å; K734-E737 PolarHBondContact O-N 2.98Å; K734-K738 PolarHBondContact O-N 3.49Å | ||
| 735 | P | 68.6 | Low | 83.7 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.3 | -40.8 | -178.6 | -25.9 | 32.9 | 0 | 0 | 0 | 113.8 | K560 K738 Q739 | K560-P735 HydrophobicContact CD-CB 4.5Å; K560-P735 HydrophobicContact CD-CG 4.1Å; K560-P735 VanDerWaalsContact CE-CG 3.47Å; P735-K738 PolarHBondContact O-N 3.45Å; P735-Q739 WeakPolarHBondContact O-CB 3.37Å; P735-Q739 WeakPolarHBondContact O-CG 3.26Å; P735-Q739 PolarHBondContact O-N 3.31Å |
| 736 | A | 76.2 | Confident | 83.3 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 56% | 0.562 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K734 Q739 A740 | K734-A736 VanDerWaalsContact C-N 3.25Å; K734-A736 PolarHBondContact O-N 3.18Å; A736-Q739 PolarHBondContact O-N 2.94Å; A736-A740 WeakPolarHBondContact O-CB 3.23Å; A736-A740 PolarHBondContact O-N 3.47Å |
| 737 | E | 84 | Confident | 82.9 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 176.3 | -65.3 | 161.2 | -174.4 | 0 | 0 | 110.5 | M733 K734 Q739 A740 V741 | M733-E737 HydrophobicContact CE-CB 3.99Å; K734-E737 HydrophobicContact CB-CB 4.46Å; K734-E737 HydrophobicContact CB-CG 4.1Å; K734-E737 WeakPolarHBondContact CD-OE1 3.28Å; K734-E737 PolarHBondContact N-OE2 3.04Å; K734-E737 WeakPolarHBondContact O-CB 3.32Å; K734-E737 PolarHBondContact O-N 2.98Å; E737-Q739 VanDerWaalsContact C-N 3.34Å; E737-Q739 PolarHBondContact O-N 2.95Å; E737-A740 PolarHBondContact O-N 3.47Å; E737-V741 WeakPolarHBondContact O-CG2 3.38Å; E737-V741 PolarHBondContact O-N 3.38Å |
| 738 | K | 78.2 | Confident | 82.6 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.7 | -48.4 | 173.8 | -67 | -179.6 | 176.7 | 175.8 | 0 | 111.3 | V729 H730 G731 M733 K734 P735 A740 V741 M742 | V729-K738 HydrophobicContact CG1-CG 4.35Å; H730-K738 WeakPolarHBondContact O-CE 3.24Å; H730-K738 PolarHBondContact O-NZ 2.84Å; G731-K738 PolarHBondContact O-NZ 3.46Å; M733-K738 HydrophobicContact CB-CD 4.37Å; M733-K738 HydrophobicContact CB-CG 3.63Å; M733-K738 VanDerWaalsContact O-CE 3.23Å; M733-K738 WeakPolarHBondContact O-CE 3.38Å; K734-K738 PolarHBondContact O-N 3.49Å; P735-K738 PolarHBondContact O-N 3.45Å; K738-A740 VanDerWaalsContact C-N 3.34Å; K738-A740 PolarHBondContact O-N 3.15Å; K738-V741 PolarHBondContact O-N 2.96Å; K738-M742 WeakPolarHBondContact O-CB 3.5Å; K738-M742 VanDerWaalsContact O-CG 3.26Å; K738-M742 WeakPolarHBondContact O-CG 3.42Å; K738-M742 PolarHBondContact O-N 3.42Å |
| 739 | Q | 74 | Confident | 82.5 | Confident | 83 Ų | 83 | 60 Ų | 60 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 179.1 | -78.6 | 172.9 | -31.4 | 0 | 0 | 111.6 | E537 P735 A736 E737 M742 A743 | E537-Q739 PolarHBondContact OE2-NE2 3.15Å; P735-Q739 WeakPolarHBondContact O-CB 3.37Å; P735-Q739 WeakPolarHBondContact O-CG 3.26Å; P735-Q739 PolarHBondContact O-N 3.31Å; A736-Q739 PolarHBondContact O-N 2.94Å; E737-Q739 VanDerWaalsContact C-N 3.34Å; E737-Q739 PolarHBondContact O-N 2.95Å; Q739-M742 PolarHBondContact O-N 3.13Å; Q739-A743 WeakPolarHBondContact O-CB 2.87Å; Q739-A743 PolarHBondContact O-N 3.06Å |
| 740 | A | 84.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A736 E737 K738 M742 A743 S744 | A736-A740 WeakPolarHBondContact O-CB 3.23Å; A736-A740 PolarHBondContact O-N 3.47Å; E737-A740 PolarHBondContact O-N 3.47Å; K738-A740 VanDerWaalsContact C-N 3.34Å; K738-A740 PolarHBondContact O-N 3.15Å; A740-M742 PolarHBondContact O-N 3.38Å; A740-A743 PolarHBondContact O-N 3.06Å; A740-S744 PolarHBondContact O-N 3.09Å; A740-S744 PolarHBondContact O-OG 3.02Å |
| 741 | V | 87.8 | Confident | 83 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | V729 M733 E737 K738 A743 S744 F745 L750 L753 | V729-V741 HydrophobicContact CG2-CB 3.9Å; V729-V741 HydrophobicContact CG2-CG1 3.51Å; M733-V741 HydrophobicContact CE-CG2 4.13Å; E737-V741 WeakPolarHBondContact O-CG2 3.38Å; E737-V741 PolarHBondContact O-N 3.38Å; K738-V741 PolarHBondContact O-N 2.96Å; V741-A743 VanDerWaalsContact C-N 3.29Å; V741-A743 PolarHBondContact O-N 3.22Å; V741-S744 PolarHBondContact O-N 3.46Å; V741-F745 WeakPolarHBondContact O-CB 3.32Å; V741-F745 PolarHBondContact O-N 3.04Å; V741-L750 HydrophobicContact CG1-CD1 3.77Å; V741-L753 HydrophobicContact CG1-CD1 3.66Å |
| 742 | M | 82.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 6% | 0.064 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 176.3 | -67.6 | -43.2 | -61.2 | 0 | 0 | 112.1 | V729 K738 Q739 A740 K746 L753 V763 | V729-M742 HydrophobicContact CB-SD 4.43Å; V729-M742 HydrophobicContact CG1-SD 4.36Å; V729-M742 HydrophobicContact CG2-SD 3.77Å; K738-M742 WeakPolarHBondContact O-CB 3.5Å; K738-M742 VanDerWaalsContact O-CG 3.26Å; K738-M742 WeakPolarHBondContact O-CG 3.42Å; K738-M742 PolarHBondContact O-N 3.42Å; Q739-M742 PolarHBondContact O-N 3.13Å; A740-M742 PolarHBondContact O-N 3.38Å; M742-K746 VanDerWaalsContact O-CB 3.32Å; M742-K746 WeakPolarHBondContact O-CB 3.48Å; M742-K746 PolarHBondContact O-N 3.34Å; M742-L753 HydrophobicContact CE-CD2 3.62Å; M742-L753 HydrophobicContact SD-CD2 3.63Å; M742-V763 HydrophobicContact CB-CG2 4.4Å; M742-V763 HydrophobicContact CE-CB 3.58Å; M742-V763 HydrophobicContact CE-CG1 3.63Å; M742-V763 HydrophobicContact CE-CG2 3.37Å; M742-V763 HydrophobicContact CG-CG2 4.07Å; M742-V763 HydrophobicContact SD-CG2 4.36Å |
| 743 | A | 82.5 | Confident | 84.5 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.3 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q739 A740 V741 F745 K746 Q747 | Q739-A743 WeakPolarHBondContact O-CB 2.87Å; Q739-A743 PolarHBondContact O-N 3.06Å; A740-A743 PolarHBondContact O-N 3.06Å; V741-A743 VanDerWaalsContact C-N 3.29Å; V741-A743 PolarHBondContact O-N 3.22Å; A743-F745 VanDerWaalsContact C-N 3.31Å; A743-F745 PolarHBondContact O-N 2.9Å; A743-K746 PolarHBondContact O-N 3.33Å; A743-K746 VanDerWaalsContact O-N 3.14Å; A743-Q747 WeakPolarHBondContact O-CB 3.49Å; A743-Q747 VanDerWaalsContact O-CG 3.28Å; A743-Q747 WeakPolarHBondContact O-CG 3.48Å; A743-Q747 PolarHBondContact O-N 2.83Å |
| 744 | S | 88.1 | Confident | 85.1 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 174.2 | -71.9 | 0 | 0 | 0 | 0 | 112 | A740 V741 Q747 G748 E749 L750 | A740-S744 PolarHBondContact O-N 3.09Å; A740-S744 PolarHBondContact O-OG 3.02Å; V741-S744 PolarHBondContact O-N 3.46Å; S744-Q747 PolarHBondContact O-N 2.89Å; S744-G748 PolarHBondContact O-N 3.35Å; S744-E749 WeakPolarHBondContact CA-OE2 3.49Å; S744-E749 WeakPolarHBondContact CB-OE2 3.33Å; S744-E749 WeakPolarHBondContact O-CB 3.41Å; S744-E749 PolarHBondContact O-N 3.47Å; S744-E749 PolarHBondContact OG-OE2 2.75Å; S744-L750 PolarHBondContact O-N 3.17Å |
| 745 | F | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 173.1 | -169.9 | -110.4 | 0 | 0 | 0 | 111.3 | Q691 Y693 V741 A743 Q747 G748 L750 L753 V765 A768 | Q691-F745 HydrophobicContact CB-CE2 3.85Å; Q691-F745 HydrophobicContact CB-CZ 3.75Å; Q691-F745 HydrophobicContact CG-CE2 4.38Å; Q691-F745 PolarHBondContact NE2-O 2.72Å; Y693-F745 HydrophobicContact CD1-CE1 4.09Å; Y693-F745 HydrophobicContact CD1-CZ 4.32Å; Y693-F745 HydrophobicContact CE1-CD1 4.08Å; Y693-F745 AromaticContact CE1-CE1 3.41Å; Y693-F745 HydrophobicContact CE1-CE1 3.41Å; Y693-F745 VanDerWaalsContact CE1-CE1 3.41Å; Y693-F745 HydrophobicContact CE1-CZ 4.08Å; Y693-F745 HydrophobicContact CE2-CE1 4.09Å; Y693-F745 AromaticContact CZ-CE1 3.43Å; Y693-F745 VanDerWaalsContact CZ-CE1 3.43Å; V741-F745 WeakPolarHBondContact O-CB 3.32Å; V741-F745 PolarHBondContact O-N 3.04Å; A743-F745 VanDerWaalsContact C-N 3.31Å; A743-F745 PolarHBondContact O-N 2.9Å; F745-Q747 VanDerWaalsContact C-N 3.28Å; F745-Q747 PolarHBondContact O-N 2.88Å; F745-G748 PolarHBondContact O-N 2.82Å; F745-G748 VanDerWaalsContact O-N 3.17Å; F745-L750 HydrophobicContact CB-CB 4.23Å; F745-L750 HydrophobicContact CB-CD1 4.21Å; F745-L750 HydrophobicContact CD2-CB 3.86Å; F745-L750 VanDerWaalsContact CD2-O 3.22Å; F745-L750 WeakPolarHBondContact CD2-O 3.15Å; F745-L753 HydrophobicContact CD1-CB 4.26Å; F745-L753 HydrophobicContact CD1-CD2 4.06Å; F745-L753 HydrophobicContact CD2-CB 3.78Å; F745-L753 HydrophobicContact CE1-CB 4.22Å; F745-L753 HydrophobicContact CE1-CD2 4.42Å; F745-L753 HydrophobicContact CE2-CB 3.69Å; F745-L753 HydrophobicContact CG-CB 4.08Å; F745-L753 HydrophobicContact CG-CD2 4.31Å; F745-L753 HydrophobicContact CZ-CB 3.93Å; F745-V765 HydrophobicContact CD1-CB 4.44Å; F745-V765 HydrophobicContact CD1-CG1 4.35Å; F745-V765 HydrophobicContact CD1-CG2 3.75Å; F745-V765 HydrophobicContact CE1-CB 4.15Å; F745-V765 HydrophobicContact CE1-CG1 4.07Å; F745-V765 HydrophobicContact CE1-CG2 3.9Å; F745-A768 HydrophobicContact CE1-CB 4.46Å; F745-A768 HydrophobicContact CZ-CB 4.45Å |
| 746 | K | 84 | Confident | 86.5 | Confident | 137 Ų | 137 | 44.7 Ų | 44.7 | 60% | 0.596 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.3 | -32.9 | 176.5 | -171.7 | 177.7 | -179.2 | -177 | 0 | 113.4 | M742 A743 G748 V765 | M742-K746 VanDerWaalsContact O-CB 3.32Å; M742-K746 WeakPolarHBondContact O-CB 3.48Å; M742-K746 PolarHBondContact O-N 3.34Å; A743-K746 PolarHBondContact O-N 3.33Å; A743-K746 VanDerWaalsContact O-N 3.14Å; K746-G748 VanDerWaalsContact C-N 3.28Å; K746-V765 HydrophobicContact CB-CG2 4.4Å |
| 747 | Q | 85.2 | Confident | 86.5 | Confident | 137 Ų | 137 | 42.8 Ų | 42.8 | 64% | 0.64 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -79 | -8.8 | 178.9 | -70.4 | 173.4 | 31.3 | 0 | 0 | 113.4 | A743 S744 F745 E749 | A743-Q747 WeakPolarHBondContact O-CB 3.49Å; A743-Q747 VanDerWaalsContact O-CG 3.28Å; A743-Q747 WeakPolarHBondContact O-CG 3.48Å; A743-Q747 PolarHBondContact O-N 2.83Å; S744-Q747 PolarHBondContact O-N 2.89Å; F745-Q747 VanDerWaalsContact C-N 3.28Å; F745-Q747 PolarHBondContact O-N 2.88Å; Q747-E749 HydrophobicContact CB-CG 4.2Å |
| 748 | G | 86.7 | Confident | 86.1 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 7.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S744 F745 K746 L750 | S744-G748 PolarHBondContact O-N 3.35Å; F745-G748 PolarHBondContact O-N 2.82Å; F745-G748 VanDerWaalsContact O-N 3.17Å; K746-G748 VanDerWaalsContact C-N 3.28Å; G748-L750 VanDerWaalsContact C-N 3.32Å |
| 749 | E | 90.3 | Very high | 85.9 | Confident | 98 Ų | 98 | 39.4 Ų | 39.4 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -70.3 | -32.2 | 176.8 | -58.7 | -179.4 | 153.2 | 0 | 0 | 111.8 | N725 S744 Q747 | N725-E749 WeakPolarHBondContact CB-O 3.43Å; N725-E749 PolarHBondContact ND2-O 2.9Å; S744-E749 WeakPolarHBondContact CA-OE2 3.49Å; S744-E749 WeakPolarHBondContact CB-OE2 3.33Å; S744-E749 WeakPolarHBondContact O-CB 3.41Å; S744-E749 PolarHBondContact O-N 3.47Å; S744-E749 PolarHBondContact OG-OE2 2.75Å; Q747-E749 HydrophobicContact CB-CG 4.2Å |
| 750 | L | 91.8 | Very high | 85.6 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | trans | -104.3 | 125.8 | 175.5 | -60.6 | 172.7 | 0 | 0 | 0 | 109.4 | Q691 N725 V741 S744 F745 G748 | Q691-L750 PolarHBondContact NE2-O 2.73Å; N725-L750 HydrophobicContact CB-CD2 4.05Å; N725-L750 CarbonylContact O-C 3.58Å; V741-L750 HydrophobicContact CG1-CD1 3.77Å; S744-L750 PolarHBondContact O-N 3.17Å; F745-L750 HydrophobicContact CB-CB 4.23Å; F745-L750 HydrophobicContact CB-CD1 4.21Å; F745-L750 HydrophobicContact CD2-CB 3.86Å; F745-L750 VanDerWaalsContact CD2-O 3.22Å; F745-L750 WeakPolarHBondContact CD2-O 3.15Å; G748-L750 VanDerWaalsContact C-N 3.32Å | ||
| 751 | H | 93 | Very high | 84.6 | Confident | 57 Ų | 57 | 33.9 Ų | 33.9 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -84.6 | -35.4 | -180 | -54.2 | 129.1 | 0 | 0 | 0 | 112.1 | C685 Q691 A692 L724 N725 | C685-H751 HydrophobicContact CB-CB 4.15Å; Q691-H751 CarbonylContact C-O 3.51Å; Q691-H751 WeakPolarHBondContact CA-O 3.43Å; A692-H751 PolarHBondContact N-O 2.92Å; L724-H751 HydrophobicContact CB-CB 4.35Å; L724-H751 HydrophobicContact CD2-CB 4.13Å; N725-H751 PolarHBondContact N-ND1 3.36Å; N725-H751 PolarHBondContact O-N 2.79Å |
| 752 | L | 93.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.4 | -177.2 | 178.8 | 62.2 | 0 | 0 | 0 | 110 | V681 A692 W694 L717 L721 N725 V726 G727 | V681-L752 HydrophobicContact CG1-CD1 4Å; V681-L752 HydrophobicContact CG1-CD2 4.05Å; A692-L752 HydrophobicContact CB-CD1 3.73Å; A692-L752 WeakPolarHBondContact O-CA 3.35Å; W694-L752 HydrophobicContact CB-CD1 4.15Å; L717-L752 HydrophobicContact CB-CD2 4.33Å; L717-L752 HydrophobicContact CD1-CD2 4.08Å; L721-L752 HydrophobicContact CD1-CD2 3.9Å; N725-L752 PolarHBondContact O-N 2.88Å; V726-L752 CarbonylContact C-O 3.51Å; V726-L752 WeakPolarHBondContact CA-O 3.49Å; V726-L752 HydrophobicContact CG1-CB 4.23Å; V726-L752 HydrophobicContact CG1-CD2 4.01Å; V726-L752 HydrophobicContact CG1-CG 4.07Å; V726-L752 HydrophobicContact CG2-CB 4.31Å; V726-L752 HydrophobicContact CG2-CD2 4.16Å; G727-L752 PolarHBondContact N-O 3.38Å |
| 753 | L | 93.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.7 | 175 | -171.8 | 71.6 | 0 | 0 | 0 | 110.8 | A692 Y693 W694 V729 V741 M742 F745 I759 | A692-L753 PolarHBondContact O-N 2.77Å; Y693-L753 HydrophobicContact CD1-CB 4.12Å; Y693-L753 HydrophobicContact CD1-CD2 3.92Å; Y693-L753 HydrophobicContact CE1-CB 4.48Å; Y693-L753 HydrophobicContact CE1-CD2 3.72Å; W694-L753 PolarHBondContact N-O 2.82Å; V729-L753 HydrophobicContact CG2-CD1 3.9Å; V741-L753 HydrophobicContact CG1-CD1 3.66Å; M742-L753 HydrophobicContact CE-CD2 3.62Å; M742-L753 HydrophobicContact SD-CD2 3.63Å; F745-L753 HydrophobicContact CD1-CB 4.26Å; F745-L753 HydrophobicContact CD1-CD2 4.06Å; F745-L753 HydrophobicContact CD2-CB 3.78Å; F745-L753 HydrophobicContact CE1-CB 4.22Å; F745-L753 HydrophobicContact CE1-CD2 4.42Å; F745-L753 HydrophobicContact CE2-CB 3.69Å; F745-L753 HydrophobicContact CG-CB 4.08Å; F745-L753 HydrophobicContact CG-CD2 4.31Å; F745-L753 HydrophobicContact CZ-CB 3.93Å; L753-I759 HydrophobicContact CD2-CG2 4.34Å |
| 754 | V | 93.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.9 | 169.3 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | W694 A710 T713 W714 L717 V726 G727 L728 V729 | W694-V754 HydrophobicContact CB-CG2 4.31Å; W694-V754 CarbonylContact O-C 3.51Å; W694-V754 WeakPolarHBondContact O-CA 3.36Å; A710-V754 WeakPolarHBondContact O-CG1 3.36Å; T713-V754 HydrophobicContact CG2-CG1 4.28Å; W714-V754 HydrophobicContact CB-CB 4.21Å; W714-V754 HydrophobicContact CB-CG1 4.24Å; W714-V754 HydrophobicContact CB-CG2 4.27Å; L717-V754 HydrophobicContact CD1-CG2 3.63Å; V726-V754 HydrophobicContact CG1-CG2 3.78Å; G727-V754 PolarHBondContact O-N 3.46Å; L728-V754 CarbonylContact C-O 3.52Å; L728-V754 VanDerWaalsContact CA-O 3.28Å; L728-V754 WeakPolarHBondContact CA-O 3.44Å; L728-V754 HydrophobicContact CD1-CB 4.33Å; L728-V754 HydrophobicContact CD1-CG1 4.2Å; V729-V754 PolarHBondContact N-O 3.38Å |
| 755 | A | 90.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 158.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W694 V695 C696 V729 I759 | W694-A755 PolarHBondContact O-N 2.81Å; V695-A755 CarbonylContact C-O 3.53Å; V695-A755 VanDerWaalsContact CA-O 3.25Å; V695-A755 WeakPolarHBondContact CA-O 3.11Å; C696-A755 PolarHBondContact N-O 2.83Å; V729-A755 HydrophobicContact CB-CB 4.44Å; V729-A755 WeakPolarHBondContact O-CA 3.48Å; A755-I759 HydrophobicContact CB-CB 4.38Å; A755-I759 HydrophobicContact CB-CD1 4.01Å; A755-I759 HydrophobicContact CB-CG1 4Å; A755-I759 HydrophobicContact CB-CG2 3.53Å |
| 756 | T | 86.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -86.1 | -176.9 | 162.3 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | E706 A710 V729 H730 V758 I759 | E706-T756 HydrophobicContact CB-CG2 4.15Å; A710-T756 HydrophobicContact CB-CG2 3.89Å; V729-T756 PolarHBondContact O-N 2.93Å; V729-T756 VanDerWaalsContact O-N 3.08Å; H730-T756 WeakPolarHBondContact CA-OG1 3.4Å; H730-T756 HydrophobicContact CB-CG2 3.78Å; T756-V758 PolarHBondContact O-N 2.81Å; T756-V758 VanDerWaalsContact OG1-CG2 3.32Å; T756-V758 WeakPolarHBondContact OG1-CG2 3.25Å; T756-I759 PolarHBondContact O-N 2.88Å | ||
| 757 | T | 77.5 | Confident | 80.6 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -57.3 | -7.4 | 175.4 | 55 | 0 | 0 | 0 | 0 | 114.3 | T697 I759 E760 L779 | T697-T757 HydrophobicContact CG2-CG2 4.49Å; T757-I759 PolarHBondContact O-N 2.67Å; T757-I759 VanDerWaalsContact O-N 3.11Å; T757-E760 WeakPolarHBondContact O-CB 3.23Å; T757-E760 PolarHBondContact O-N 2.88Å; T757-L779 HydrophobicContact CG2-CD2 3.83Å |
| 758 | V | 74.2 | Confident | 80.7 | Confident | 51 Ų | 51 | 25.6 Ų | 25.6 | 31% | 0.309 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -55.5 | -27.6 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | T756 E760 | T756-V758 PolarHBondContact O-N 2.81Å; T756-V758 VanDerWaalsContact OG1-CG2 3.32Å; T756-V758 WeakPolarHBondContact OG1-CG2 3.25Å; V758-E760 PolarHBondContact O-N 2.94Å |
| 759 | I | 75.6 | Confident | 80.8 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -79 | -2.9 | 176.3 | 66.1 | 159.8 | 0 | 0 | 0 | 114 | Y693 V695 L753 A755 T756 T757 V761 M771 L787 R790 | Y693-I759 HydrophobicContact CD1-CD1 3.58Å; Y693-I759 HydrophobicContact CE1-CD1 4.12Å; Y693-I759 HydrophobicContact CG-CD1 4.11Å; V695-I759 HydrophobicContact CG2-CD1 3.6Å; V695-I759 HydrophobicContact CG2-CG1 4.19Å; L753-I759 HydrophobicContact CD2-CG2 4.34Å; A755-I759 HydrophobicContact CB-CB 4.38Å; A755-I759 HydrophobicContact CB-CD1 4.01Å; A755-I759 HydrophobicContact CB-CG1 4Å; A755-I759 HydrophobicContact CB-CG2 3.53Å; T756-I759 PolarHBondContact O-N 2.88Å; T757-I759 PolarHBondContact O-N 2.67Å; T757-I759 VanDerWaalsContact O-N 3.11Å; I759-V761 PolarHBondContact O-N 3.39Å; I759-V761 VanDerWaalsContact O-N 3.15Å; I759-M771 HydrophobicContact CD1-CE 4.35Å; I759-L787 HydrophobicContact CD1-CD2 4.42Å; I759-L787 HydrophobicContact CG1-CD2 3.95Å; I759-R790 WeakPolarHBondContact O-CD 3.46Å; I759-R790 PolarHBondContact O-NE 2.91Å |
| 760 | E | 67.9 | Low | 80.9 | Confident | 13 Ų | 13 | 20 Ų | 20 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -51.1 | -35.8 | 171.9 | 177.7 | -177 | -155 | 0 | 0 | 110.6 | R607 T757 V758 Q783 Q786 L787 R790 | R607-E760 IonicContact NH2-OE2 2.62Å; R607-E760 PolarHBondContact NH2-OE2 2.81Å; T757-E760 WeakPolarHBondContact O-CB 3.23Å; T757-E760 PolarHBondContact O-N 2.88Å; V758-E760 PolarHBondContact O-N 2.94Å; E760-Q783 WeakPolarHBondContact OE1-CG 3.33Å; E760-Q786 HydrophobicContact CG-CB 3.87Å; E760-Q786 PolarHBondContact OE1-OE1 2.83Å; E760-Q786 VanDerWaalsContact OE1-OE1 3.07Å; E760-L787 HydrophobicContact CB-CD2 4.23Å; E760-R790 PolarHBondContact O-NE 3.35Å; E760-R790 PolarHBondContact O-NH2 3.36Å |
| 761 | V | 62.1 | Low | 80.9 | Confident | 9 Ų | 9 | 18.7 Ų | 18.7 | 6% | 0.055 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -123.7 | 124.7 | -177.4 | -115 | 0 | 0 | 0 | 0 | 112.7 | L535 I759 R790 | L535-V761 HydrophobicContact CD1-CB 3.62Å; L535-V761 HydrophobicContact CD1-CG1 3.16Å; L535-V761 HydrophobicContact CD2-CB 4.35Å; L535-V761 HydrophobicContact CD2-CG1 3.94Å; L535-V761 HydrophobicContact CG-CB 3.96Å; L535-V761 HydrophobicContact CG-CG1 3.83Å; I759-V761 PolarHBondContact O-N 3.39Å; I759-V761 VanDerWaalsContact O-N 3.15Å; V761-R790 VanDerWaalsContact CA-NH2 3.26Å |
| 762 | G | 57.7 | Low | 81 | Confident | 4 Ų | 4 | 16 Ų | 16 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 105.1 | 8.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121 | L535 Q538 R790 | L535-G762 VanDerWaalsContact CD2-CA 3.49Å; Q538-G762 VanDerWaalsContact OE1-C 3.3Å; Q538-G762 PolarHBondContact OE1-O 3.45Å; Q538-G762 VanDerWaalsContact OE1-O 3.08Å; G762-R790 VanDerWaalsContact N-CZ 3.32Å; G762-R790 VanDerWaalsContact N-NH2 3.16Å |
| 763 | V | 64.2 | Low | 81 | Confident | 17 Ų | 17 | 16 Ų | 16 | 10% | 0.103 | 10% | 0.095 | C | C | . | . | trans | -126.8 | 136.5 | 168.6 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | L534 M742 V765 R790 | L534-V763 HydrophobicContact CD1-CG2 4.49Å; L534-V763 HydrophobicContact CD2-CG2 3.73Å; L534-V763 HydrophobicContact CG-CG2 4.39Å; M742-V763 HydrophobicContact CB-CG2 4.4Å; M742-V763 HydrophobicContact CE-CB 3.58Å; M742-V763 HydrophobicContact CE-CG1 3.63Å; M742-V763 HydrophobicContact CE-CG2 3.37Å; M742-V763 HydrophobicContact CG-CG2 4.07Å; M742-V763 HydrophobicContact SD-CG2 4.36Å; V763-V765 HydrophobicContact CG1-CG2 3.86Å; V763-R790 PolarHBondContact O-NH1 3.48Å | ||
| 764 | D | 69.2 | Low | 80.9 | Confident | 55 Ų | 55 | 17 Ų | 17 | 29% | 0.294 | 10% | 0.099 | S | C | . | . | trans | -112.5 | 114.2 | 174.3 | -166.7 | -21.4 | 0 | 0 | 0 | 109 | R793 | D764-R793 WeakPolarHBondContact OD1-CD 3.17Å; D764-R793 IonicContact OD1-NE 2.73Å; D764-R793 IonicContact OD1-NH1 3.88Å; D764-R793 IonicContact OD2-CZ 3.99Å; D764-R793 IonicContact OD2-NH1 3.98Å; D764-R793 PolarHBondContact OD2-NH1 2.97Å | ||
| 765 | V | 78.6 | Confident | 80.7 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | trans | -126 | 96.8 | 174 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | Y693 F745 K746 V763 N767 A768 | Y693-V765 WeakPolarHBondContact OH-CG2 3.27Å; F745-V765 HydrophobicContact CD1-CB 4.44Å; F745-V765 HydrophobicContact CD1-CG1 4.35Å; F745-V765 HydrophobicContact CD1-CG2 3.75Å; F745-V765 HydrophobicContact CE1-CB 4.15Å; F745-V765 HydrophobicContact CE1-CG1 4.07Å; F745-V765 HydrophobicContact CE1-CG2 3.9Å; K746-V765 HydrophobicContact CB-CG2 4.4Å; V763-V765 HydrophobicContact CG1-CG2 3.86Å; V765-N767 PolarHBondContact O-N 3.5Å; V765-N767 VanDerWaalsContact O-N 3.15Å; V765-A768 HydrophobicContact CB-CB 4.07Å; V765-A768 HydrophobicContact CG1-CB 4.06Å; V765-A768 WeakPolarHBondContact O-CB 3.5Å; V765-A768 PolarHBondContact O-N 3.46Å | ||
| 766 | P | 75.5 | Confident | 80.7 | Confident | 83 Ų | 83 | 18.8 Ų | 18.8 | 54% | 0.539 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.6 | -176.4 | -27.6 | 35.5 | 0 | 0 | 0 | 114.6 | A768 | P766-A768 VanDerWaalsContact C-N 3.34Š|
| 767 | N | 85.7 | Confident | 80.8 | Confident | 53 Ų | 53 | 20.2 Ų | 20.2 | 28% | 0.283 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.2 | 179.1 | -165.2 | 44.1 | 0 | 0 | 0 | 113.7 | G689 R690 Q691 V765 S769 | G689-N767 PolarHBondContact O-ND2 3.01Å; G689-N767 VanDerWaalsContact O-ND2 3.11Å; R690-N767 WeakPolarHBondContact CD-OD1 3.19Å; R690-N767 PolarHBondContact NH1-OD1 3.17Å; Q691-N767 PolarHBondContact N-O 2.95Å; Q691-N767 VanDerWaalsContact N-O 3.14Å; V765-N767 PolarHBondContact O-N 3.5Å; V765-N767 VanDerWaalsContact O-N 3.15Å; N767-S769 PolarHBondContact O-N 2.59Å |
| 768 | A | 87.4 | Confident | 81 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 110.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q691 Y693 F745 V765 P766 V791 | Q691-A768 HydrophobicContact CB-CB 4.33Å; Q691-A768 VanDerWaalsContact O-CA 3.3Å; Q691-A768 WeakPolarHBondContact O-CA 3.49Å; Y693-A768 HydrophobicContact CD2-CB 3.94Å; Y693-A768 HydrophobicContact CE2-CB 3.42Å; Y693-A768 VanDerWaalsContact CE2-CB 3.42Å; F745-A768 HydrophobicContact CE1-CB 4.46Å; F745-A768 HydrophobicContact CZ-CB 4.45Å; V765-A768 HydrophobicContact CB-CB 4.07Å; V765-A768 HydrophobicContact CG1-CB 4.06Å; V765-A768 WeakPolarHBondContact O-CB 3.5Å; V765-A768 PolarHBondContact O-N 3.46Å; P766-A768 VanDerWaalsContact C-N 3.34Å; A768-V791 HydrophobicContact CB-CG1 4.49Å |
| 769 | S | 89 | Confident | 81.4 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -10.7 | -176.4 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | R690 Q691 N767 S798 H799 | R690-S769 VanDerWaalsContact CB-OG 3.32Å; R690-S769 WeakPolarHBondContact CB-OG 3.48Å; R690-S769 WeakPolarHBondContact CG-OG 3.45Å; Q691-S769 PolarHBondContact O-N 3.4Å; Q691-S769 VanDerWaalsContact O-N 3.09Å; N767-S769 PolarHBondContact O-N 2.59Å; S769-S798 CarbonylContact O-C 3.52Å; S769-S798 WeakPolarHBondContact O-CA 3.48Å; S769-S798 WeakPolarHBondContact O-CB 3.39Å; S769-H799 PolarHBondContact O-N 2.91Å |
| 770 | L | 91.6 | Very high | 81.6 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.2 | -176.5 | -173.8 | 63.8 | 0 | 0 | 0 | 111.1 | R680 V681 A684 A692 Y693 I772 H799 V801 | R680-L770 HydrophobicContact CG-CD2 4.46Å; V681-L770 HydrophobicContact CB-CD2 4.44Å; V681-L770 HydrophobicContact CG2-CD2 3.73Å; A684-L770 HydrophobicContact CB-CD2 4.33Å; A692-L770 CarbonylContact C-O 3.55Å; A692-L770 VanDerWaalsContact CA-O 3.28Å; A692-L770 WeakPolarHBondContact CA-O 3.38Å; A692-L770 HydrophobicContact CB-CB 3.95Å; A692-L770 HydrophobicContact CB-CD2 4.22Å; A692-L770 HydrophobicContact CB-CG 4.35Å; Y693-L770 PolarHBondContact N-O 3.38Å; L770-I772 HydrophobicContact CD2-CD1 3.86Å; L770-I772 HydrophobicContact CG-CD1 3.67Å; L770-I772 HydrophobicContact CG-CG1 4.48Å; L770-H799 WeakPolarHBondContact CA-O 3.5Å; L770-H799 HydrophobicContact CD1-CB 3.78Å; L770-V801 HydrophobicContact CD1-CG2 4.24Å |
| 771 | M | 93 | Very high | 82.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124 | 175.2 | 175.1 | 60 | 66.7 | 0 | 0 | 109.1 | Y693 V695 I759 I773 L787 R790 V791 H799 C800 V801 | Y693-M771 VanDerWaalsContact CB-CE 3.46Å; Y693-M771 HydrophobicContact CD2-CE 3.56Å; Y693-M771 HydrophobicContact CE2-CE 4.41Å; Y693-M771 HydrophobicContact CG-CE 3.65Å; Y693-M771 HydrophobicContact CG-SD 4.46Å; V695-M771 HydrophobicContact CG2-SD 3.71Å; I759-M771 HydrophobicContact CD1-CE 4.35Å; M771-I773 HydrophobicContact CG-CD1 4.24Å; M771-I773 HydrophobicContact CG-CG1 3.97Å; M771-I773 HydrophobicContact SD-CG1 4.13Å; M771-L787 WeakPolarHBondContact CE-O 3.28Å; M771-R790 HydrophobicContact CE-CB 3.88Å; M771-V791 HydrophobicContact CB-CG1 3.88Å; M771-V791 HydrophobicContact CB-CG2 3.9Å; M771-V791 HydrophobicContact CE-CG1 4.37Å; M771-H799 PolarHBondContact N-O 3.1Å; M771-C800 HydrophobicContact CB-CB 4.39Å; M771-C800 CarbonylContact O-C 3.56Å; M771-C800 WeakPolarHBondContact O-CA 3.37Å; M771-V801 PolarHBondContact O-N 2.78Å |
| 772 | I | 94.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127 | 173.9 | -57.6 | 89.9 | 0 | 0 | 0 | 107.6 | I677 V681 A692 Y693 W694 V695 L770 V801 L803 | I677-I772 HydrophobicContact CG2-CG1 3.8Å; I677-I772 HydrophobicContact CG2-CG2 4.19Å; V681-I772 HydrophobicContact CG2-CD1 3.66Å; V681-I772 HydrophobicContact CG2-CG1 4.39Å; A692-I772 HydrophobicContact CB-CD1 4.36Å; Y693-I772 WeakPolarHBondContact O-CD1 3.45Å; Y693-I772 PolarHBondContact O-N 3.26Å; W694-I772 CarbonylContact C-O 3.5Å; W694-I772 HydrophobicContact CD2-CB 4.13Å; W694-I772 HydrophobicContact CD2-CG2 3.95Å; W694-I772 HydrophobicContact CE3-CB 4.01Å; W694-I772 HydrophobicContact CE3-CD1 4.1Å; W694-I772 HydrophobicContact CE3-CG1 4.04Å; W694-I772 HydrophobicContact CE3-CG2 3.98Å; W694-I772 HydrophobicContact CG-CB 4.47Å; W694-I772 HydrophobicContact CH2-CG2 4.23Å; W694-I772 HydrophobicContact CZ2-CG2 4.2Å; W694-I772 HydrophobicContact CZ3-CG1 4.3Å; W694-I772 HydrophobicContact CZ3-CG2 4.13Å; V695-I772 PolarHBondContact N-O 3.01Å; L770-I772 HydrophobicContact CD2-CD1 3.86Å; L770-I772 HydrophobicContact CG-CD1 3.67Å; L770-I772 HydrophobicContact CG-CG1 4.48Å; I772-V801 WeakPolarHBondContact CA-O 3.43Å; I772-V801 HydrophobicContact CG1-CB 4.42Å; I772-L803 HydrophobicContact CG2-CD1 3.52Å; I772-L803 HydrophobicContact CG2-CG 4.11Å |
| 773 | I | 93.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 113.4 | 177.3 | -54.2 | 177.2 | 0 | 0 | 0 | 108.2 | V695 T697 M771 P776 L779 L784 L787 V801 L802 L803 | V695-I773 HydrophobicContact CB-CG1 4.43Å; T697-I773 HydrophobicContact CG2-CG2 4.32Å; M771-I773 HydrophobicContact CG-CD1 4.24Å; M771-I773 HydrophobicContact CG-CG1 3.97Å; M771-I773 HydrophobicContact SD-CG1 4.13Å; I773-P776 HydrophobicContact CG2-CB 4.09Å; I773-L779 HydrophobicContact CG2-CD1 4.02Å; I773-L784 HydrophobicContact CD1-CD2 3.94Å; I773-L784 HydrophobicContact CG2-CD2 4.01Å; I773-L787 HydrophobicContact CD1-CB 3.81Å; I773-L787 HydrophobicContact CD1-CD1 3.98Å; I773-V801 PolarHBondContact N-O 2.86Å; I773-L802 HydrophobicContact CB-CD2 4.29Å; I773-L802 HydrophobicContact CD1-CD2 3.98Å; I773-L802 HydrophobicContact CG1-CD2 4.47Å; I773-L803 PolarHBondContact O-N 3.06Å |
| 774 | E | 91.5 | Very high | 85.3 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 10% | 0.103 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 142.3 | 172.7 | -69.6 | -176.1 | 161.8 | 0 | 0 | 111.1 | R674 W694 V695 C696 T697 L803 | R674-E774 IonicContact CZ-OE1 2.71Å; R674-E774 IonicContact NE-OE1 2.62Å; R674-E774 PolarHBondContact NE-OE1 3.48Å; R674-E774 IonicContact NH2-OE1 3.16Å; R674-E774 PolarHBondContact NH2-OE1 2.96Å; W694-E774 HydrophobicContact CZ2-CG 4.27Å; W694-E774 WeakPolarHBondContact CZ2-OE1 3.27Å; W694-E774 PolarHBondContact NE1-OE1 3.44Å; V695-E774 PolarHBondContact O-N 3.46Å; C696-E774 PolarHBondContact SG-OE2 2.8Å; T697-E774 VanDerWaalsContact CG2-O 3.3Å; T697-E774 WeakPolarHBondContact CG2-O 3.46Å; T697-E774 PolarHBondContact OG1-O 3.39Å; E774-L803 HydrophobicContact CG-CD1 4.32Å |
| 775 | N | 89.1 | Confident | 86 | Confident | 36 Ų | 36 | 21.2 Ų | 21.2 | 19% | 0.193 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 51.6 | 46 | 178.6 | -71.4 | 75.9 | 0 | 0 | 0 | 114.2 | T697 E777 R778 L803 | T697-N775 VanDerWaalsContact OG1-CB 3.26Å; T697-N775 WeakPolarHBondContact OG1-CB 3.28Å; T697-N775 PolarHBondContact OG1-O 2.98Å; T697-N775 VanDerWaalsContact OG1-O 3.08Å; N775-E777 WeakPolarHBondContact CA-OE1 3.29Å; N775-E777 VanDerWaalsContact CA-OE2 3.29Å; N775-E777 WeakPolarHBondContact CA-OE2 3.48Å; N775-E777 WeakPolarHBondContact CB-OE1 3.18Å; N775-E777 PolarHBondContact ND2-OE1 2.93Å; N775-E777 PolarHBondContact O-N 3.41Å; N775-R778 HydrophobicContact CB-CG 4.2Å; N775-R778 PolarHBondContact ND2-NE 3.47Å; N775-R778 WeakPolarHBondContact O-CB 3.39Å; N775-R778 WeakPolarHBondContact O-CG 3.36Å; N775-R778 PolarHBondContact O-N 3.29Å; N775-L803 PolarHBondContact N-O 2.62Å |
| 776 | P | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -61.7 | -19.8 | -176.1 | 32.6 | -39.3 | 0 | 0 | 0 | 112.6 | I773 R778 L779 L784 L802 L803 L816 | I773-P776 HydrophobicContact CG2-CB 4.09Å; P776-R778 PolarHBondContact O-N 3.11Å; P776-R778 VanDerWaalsContact O-N 3.08Å; P776-L779 PolarHBondContact O-N 2.9Å; P776-L779 VanDerWaalsContact O-N 3.09Å; P776-L784 HydrophobicContact CB-CD1 4.45Å; P776-L784 HydrophobicContact CB-CD2 3.73Å; P776-L802 HydrophobicContact CB-CB 4.28Å; P776-L802 HydrophobicContact CB-CD2 4.28Å; P776-L802 HydrophobicContact CG-CB 3.87Å; P776-L803 VanDerWaalsContact CD-C 3.49Å; P776-L803 WeakPolarHBondContact CD-O 3.34Å; P776-L816 HydrophobicContact CB-CD2 3.78Å; P776-L816 HydrophobicContact CG-CD1 4.4Å; P776-L816 HydrophobicContact CG-CD2 3.78Å |
| 777 | E | 87.4 | Confident | 86.7 | Confident | 30 Ų | 30 | 17.6 Ų | 17.6 | 14% | 0.14 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -58.8 | -18.1 | 173.1 | 70.4 | -78.3 | 176.3 | 0 | 0 | 113.8 | N775 Y804 L808 A812 R815 | N775-E777 WeakPolarHBondContact CA-OE1 3.29Å; N775-E777 VanDerWaalsContact CA-OE2 3.29Å; N775-E777 WeakPolarHBondContact CA-OE2 3.48Å; N775-E777 WeakPolarHBondContact CB-OE1 3.18Å; N775-E777 PolarHBondContact ND2-OE1 2.93Å; N775-E777 PolarHBondContact O-N 3.41Å; E777-Y804 WeakPolarHBondContact OE2-CA 3.28Å; E777-L808 HydrophobicContact CB-CD2 3.69Å; E777-L808 HydrophobicContact CG-CD2 4.28Å; E777-A812 HydrophobicContact CB-CB 3.88Å; E777-R815 PolarHBondContact O-NH1 3.07Å; E777-R815 PolarHBondContact O-NH2 2.68Å |
| 778 | R | 83.6 | Confident | 86.7 | Confident | 99 Ų | 99 | 15.3 Ų | 15.3 | 37% | 0.374 | 7% | 0.074 | S | C | . | . | G | 310 helix | trans | -88.8 | -18.1 | 179.3 | -55.9 | -174 | -177.6 | -73.4 | 0.8 | 113.4 | I699 N775 P776 | I699-R778 VanDerWaalsContact CD1-NH2 3.29Å; N775-R778 HydrophobicContact CB-CG 4.2Å; N775-R778 PolarHBondContact ND2-NE 3.47Å; N775-R778 WeakPolarHBondContact O-CB 3.39Å; N775-R778 WeakPolarHBondContact O-CG 3.36Å; N775-R778 PolarHBondContact O-N 3.29Å; P776-R778 PolarHBondContact O-N 3.11Å; P776-R778 VanDerWaalsContact O-N 3.08Å |
| 779 | L | 81.3 | Confident | 86.4 | Confident | 12 Ų | 12 | 15.8 Ų | 15.8 | 6% | 0.063 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -93.7 | 154.1 | -179.1 | -65.6 | -178.5 | 0 | 0 | 0 | 112.4 | T697 T757 I773 P776 Q783 L784 L787 R815 | T697-L779 HydrophobicContact CG2-CD1 3.51Å; T697-L779 HydrophobicContact CG2-CD2 3.97Å; T697-L779 HydrophobicContact CG2-CG 3.71Å; T757-L779 HydrophobicContact CG2-CD2 3.83Å; I773-L779 HydrophobicContact CG2-CD1 4.02Å; P776-L779 PolarHBondContact O-N 2.9Å; P776-L779 VanDerWaalsContact O-N 3.09Å; L779-Q783 HydrophobicContact CB-CB 4.46Å; L779-L784 HydrophobicContact CB-CD1 4.48Å; L779-L784 HydrophobicContact CB-CD2 3.88Å; L779-L784 HydrophobicContact CB-CG 3.84Å; L779-L784 HydrophobicContact CD1-CD2 3.72Å; L779-L784 HydrophobicContact CD1-CG 4.42Å; L779-L784 HydrophobicContact CG-CD2 4.4Å; L779-L787 HydrophobicContact CD1-CD1 3.7Å; L779-R815 PolarHBondContact O-NH1 3.03Å |
| 780 | G | 80.3 | Confident | 86 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | trans | -69.5 | 154.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.5 | A782 Q783 L784 | G780-A782 VanDerWaalsContact C-N 3.27Å; G780-A782 PolarHBondContact O-N 3.37Å; G780-Q783 PolarHBondContact O-N 3.2Å; G780-L784 WeakPolarHBondContact O-CG 3.44Å; G780-L784 PolarHBondContact O-N 3.42Å | ||
| 781 | L | 84.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | 175.5 | -85.4 | 168.7 | 0 | 0 | 0 | 112.3 | Q783 L784 H785 R815 V818 L819 I828 D832 I835 | L781-Q783 PolarHBondContact O-N 3.37Å; L781-L784 PolarHBondContact O-N 3.32Å; L781-H785 WeakPolarHBondContact O-CB 3.38Å; L781-H785 PolarHBondContact O-N 3.39Å; L781-R815 HydrophobicContact CD1-CB 4.26Å; L781-R815 HydrophobicContact CD1-CG 3.86Å; L781-R815 HydrophobicContact CD2-CB 3.97Å; L781-R815 HydrophobicContact CD2-CG 4.43Å; L781-R815 WeakPolarHBondContact CD2-O 3.47Å; L781-R815 HydrophobicContact CG-CB 3.91Å; L781-R815 HydrophobicContact CG-CG 3.81Å; L781-V818 HydrophobicContact CD1-CG1 4.34Å; L781-V818 HydrophobicContact CD2-CB 4.38Å; L781-V818 HydrophobicContact CD2-CG1 4.31Å; L781-L819 HydrophobicContact CD2-CB 4.32Å; L781-I828 HydrophobicContact CB-CG2 4.01Å; L781-I828 HydrophobicContact CD2-CG2 4.28Å; L781-D832 HydrophobicContact CB-CB 3.83Å; L781-D832 WeakPolarHBondContact CB-OD1 3.49Å; L781-D832 HydrophobicContact CD1-CB 3.78Å; L781-D832 HydrophobicContact CG-CB 4.44Å; L781-I835 HydrophobicContact CD1-CD1 3.8Å |
| 782 | A | 77.8 | Confident | 84.6 | Confident | 25 Ų | 25 | 16.6 Ų | 16.6 | 21% | 0.207 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T635 G780 H785 Q786 | T635-A782 HydrophobicContact CG2-CB 3.9Å; G780-A782 VanDerWaalsContact C-N 3.27Å; G780-A782 PolarHBondContact O-N 3.37Å; A782-H785 PolarHBondContact O-N 3.22Å; A782-Q786 WeakPolarHBondContact O-CG 3.39Å; A782-Q786 PolarHBondContact O-N 2.8Å |
| 783 | Q | 79.5 | Confident | 83.4 | Confident | 64 Ų | 64 | 18.9 Ų | 18.9 | 30% | 0.299 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.8 | -63.2 | 176.6 | -54.7 | 0 | 0 | 111.2 | E760 L779 G780 L781 H785 Q786 L787 | E760-Q783 WeakPolarHBondContact OE1-CG 3.33Å; L779-Q783 HydrophobicContact CB-CB 4.46Å; G780-Q783 PolarHBondContact O-N 3.2Å; L781-Q783 PolarHBondContact O-N 3.37Å; Q783-H785 VanDerWaalsContact C-N 3.32Å; Q783-H785 PolarHBondContact O-N 3.14Å; Q783-Q786 PolarHBondContact O-N 3.16Å; Q783-L787 WeakPolarHBondContact O-CG 3.49Å; Q783-L787 PolarHBondContact O-N 2.98Å |
| 784 | L | 87.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.3 | -68.5 | 170.9 | 0 | 0 | 0 | 111.8 | I773 P776 L779 G780 L781 L787 R788 L802 L816 L819 | I773-L784 HydrophobicContact CD1-CD2 3.94Å; I773-L784 HydrophobicContact CG2-CD2 4.01Å; P776-L784 HydrophobicContact CB-CD1 4.45Å; P776-L784 HydrophobicContact CB-CD2 3.73Å; L779-L784 HydrophobicContact CB-CD1 4.48Å; L779-L784 HydrophobicContact CB-CD2 3.88Å; L779-L784 HydrophobicContact CB-CG 3.84Å; L779-L784 HydrophobicContact CD1-CD2 3.72Å; L779-L784 HydrophobicContact CD1-CG 4.42Å; L779-L784 HydrophobicContact CG-CD2 4.4Å; G780-L784 WeakPolarHBondContact O-CG 3.44Å; G780-L784 PolarHBondContact O-N 3.42Å; L781-L784 PolarHBondContact O-N 3.32Å; L784-L787 PolarHBondContact O-N 2.88Å; L784-R788 WeakPolarHBondContact O-CB 3.41Å; L784-R788 PolarHBondContact O-N 3.38Å; L784-L802 HydrophobicContact CD2-CD2 4.45Å; L784-L816 HydrophobicContact CD1-CD2 4.36Å; L784-L819 HydrophobicContact CB-CD2 3.56Å; L784-L819 HydrophobicContact CD1-CD2 4.16Å; L784-L819 HydrophobicContact CG-CD2 4.36Å |
| 785 | H | 84.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.5 | -177.4 | 61.1 | 0 | 0 | 0 | 112.1 | D503 L781 A782 Q783 R788 G789 L819 G825 I828 | D503-H785 IonicContact OD1-CD2 3.85Å; D503-H785 IonicContact OD1-CE1 3.62Å; D503-H785 PolarHBondContact OD1-CE1 3.47Å; D503-H785 IonicContact OD1-NE2 2.71Å; D503-H785 PolarHBondContact OD1-NE2 3.36Å; D503-H785 IonicContact OD2-CE1 3.14Å; D503-H785 IonicContact OD2-NE2 3.79Å; L781-H785 WeakPolarHBondContact O-CB 3.38Å; L781-H785 PolarHBondContact O-N 3.39Å; A782-H785 PolarHBondContact O-N 3.22Å; Q783-H785 VanDerWaalsContact C-N 3.32Å; Q783-H785 PolarHBondContact O-N 3.14Å; H785-R788 PolarHBondContact CE1-NH2 2.77Å; H785-R788 PolarHBondContact ND1-NH2 3.14Å; H785-R788 PolarHBondContact O-N 2.89Å; H785-G789 PolarHBondContact O-N 2.94Å; H785-L819 HydrophobicContact CB-CD1 4.31Å; H785-G825 WeakPolarHBondContact NE2-CA 3.44Å; H785-I828 HydrophobicContact CB-CD1 4.38Å; H785-I828 HydrophobicContact CB-CG2 4.31Å; H785-I828 WeakPolarHBondContact ND1-CD1 3.34Å |
| 786 | Q | 81.2 | Confident | 80.2 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.6 | -72.4 | -171.7 | 26.6 | 0 | 0 | 112.2 | T635 E760 A782 Q783 G789 | T635-Q786 HydrophobicContact CG2-CG 4.14Å; T635-Q786 VanDerWaalsContact CG2-NE2 3.27Å; E760-Q786 HydrophobicContact CG-CB 3.87Å; E760-Q786 PolarHBondContact OE1-OE1 2.83Å; E760-Q786 VanDerWaalsContact OE1-OE1 3.07Å; A782-Q786 WeakPolarHBondContact O-CG 3.39Å; A782-Q786 PolarHBondContact O-N 2.8Å; Q783-Q786 PolarHBondContact O-N 3.16Å; Q786-G789 PolarHBondContact O-N 3.16Å |
| 787 | L | 86 | Confident | 79.8 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 174.7 | -71.3 | 171.3 | 0 | 0 | 0 | 111.1 | V695 I759 E760 M771 I773 L779 Q783 L784 G789 R790 | V695-L787 HydrophobicContact CG1-CD1 4.16Å; V695-L787 HydrophobicContact CG2-CD2 4.3Å; I759-L787 HydrophobicContact CD1-CD2 4.42Å; I759-L787 HydrophobicContact CG1-CD2 3.95Å; E760-L787 HydrophobicContact CB-CD2 4.23Å; M771-L787 WeakPolarHBondContact CE-O 3.28Å; I773-L787 HydrophobicContact CD1-CB 3.81Å; I773-L787 HydrophobicContact CD1-CD1 3.98Å; L779-L787 HydrophobicContact CD1-CD1 3.7Å; Q783-L787 WeakPolarHBondContact O-CG 3.49Å; Q783-L787 PolarHBondContact O-N 2.98Å; L784-L787 PolarHBondContact O-N 2.88Å; L787-G789 PolarHBondContact O-N 3.03Å; L787-R790 VanDerWaalsContact O-CB 3.22Å; L787-R790 WeakPolarHBondContact O-CB 3.22Å; L787-R790 WeakPolarHBondContact O-CG 3.46Å; L787-R790 PolarHBondContact O-N 2.93Å |
| 788 | R | 87.3 | Confident | 79.7 | Confident | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.8 | -40 | 176.1 | -176.5 | -177.6 | 66 | 175.6 | 5.4 | 112.1 | V664 T666 L784 H785 R790 V791 C800 L819 S822 N823 | V664-R788 HydrophobicContact CB-CG 4.16Å; V664-R788 HydrophobicContact CG1-CG 3.93Å; T666-R788 VanDerWaalsContact OG1-CD 3.26Å; T666-R788 WeakPolarHBondContact OG1-CD 3.37Å; L784-R788 WeakPolarHBondContact O-CB 3.41Å; L784-R788 PolarHBondContact O-N 3.38Å; H785-R788 PolarHBondContact CE1-NH2 2.77Å; H785-R788 PolarHBondContact ND1-NH2 3.14Å; H785-R788 PolarHBondContact O-N 2.89Å; R788-R790 PolarHBondContact O-N 3.4Å; R788-R790 VanDerWaalsContact O-N 3.11Å; R788-V791 VanDerWaalsContact O-CG2 3.26Å; R788-V791 WeakPolarHBondContact O-CG2 3.45Å; R788-V791 PolarHBondContact O-N 2.83Å; R788-C800 HydrophobicContact CG-CB 3.97Å; R788-L819 PolarHBondContact NH1-O 3.37Å; R788-S822 PolarHBondContact NH1-O 3.26Å; R788-S822 PolarHBondContact NH2-O 2.81Å; R788-N823 PolarHBondContact NH1-OD1 3.1Å; R788-N823 PolarHBondContact NH2-O 2.93Å |
| 789 | G | 79.9 | Confident | 80.1 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -1.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | H785 Q786 L787 | H785-G789 PolarHBondContact O-N 2.94Å; Q786-G789 PolarHBondContact O-N 3.16Å; L787-G789 PolarHBondContact O-N 3.03Å |
| 790 | R | 80.3 | Confident | 80.7 | Confident | 18 Ų | 18 | 22.6 Ų | 22.6 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -20.4 | 173 | -62.8 | -77.2 | 160.7 | -159.6 | -10.1 | 112.8 | Y693 I759 E760 V761 G762 V763 M771 L787 R788 | Y693-R790 HydrophobicContact CE2-CB 4.46Å; I759-R790 WeakPolarHBondContact O-CD 3.46Å; I759-R790 PolarHBondContact O-NE 2.91Å; E760-R790 PolarHBondContact O-NE 3.35Å; E760-R790 PolarHBondContact O-NH2 3.36Å; V761-R790 VanDerWaalsContact CA-NH2 3.26Å; G762-R790 VanDerWaalsContact N-CZ 3.32Å; G762-R790 VanDerWaalsContact N-NH2 3.16Å; V763-R790 PolarHBondContact O-NH1 3.48Å; M771-R790 HydrophobicContact CE-CB 3.88Å; L787-R790 VanDerWaalsContact O-CB 3.22Å; L787-R790 WeakPolarHBondContact O-CB 3.22Å; L787-R790 WeakPolarHBondContact O-CG 3.46Å; L787-R790 PolarHBondContact O-N 2.93Å; R788-R790 PolarHBondContact O-N 3.4Å; R788-R790 VanDerWaalsContact O-N 3.11Å |
| 791 | V | 80.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -105.7 | 167.5 | 171.6 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | V664 Y693 A768 M771 R788 | V664-V791 HydrophobicContact CG1-CG2 4.01Å; V664-V791 HydrophobicContact CG2-CG2 4.2Å; Y693-V791 HydrophobicContact CD2-CG1 4Å; Y693-V791 HydrophobicContact CE2-CG1 4.37Å; A768-V791 HydrophobicContact CB-CG1 4.49Å; M771-V791 HydrophobicContact CB-CG1 3.88Å; M771-V791 HydrophobicContact CB-CG2 3.9Å; M771-V791 HydrophobicContact CE-CG1 4.37Å; R788-V791 VanDerWaalsContact O-CG2 3.26Å; R788-V791 WeakPolarHBondContact O-CG2 3.45Å; R788-V791 PolarHBondContact O-N 2.83Å |
| 792 | G | 75.2 | Confident | 81.8 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | trans | 79.9 | 21.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S798 | G792-S798 WeakPolarHBondContact CA-OG 3.32Å; G792-S798 PolarHBondContact N-OG 2.88Å | ||
| 793 | R | 68.7 | Low | 82.6 | Confident | 48 Ų | 48 | 22 Ų | 22 | 18% | 0.181 | 14% | 0.139 | C | C | . | . | trans | -81.8 | -12.1 | 179.1 | -63.7 | -170.6 | 177.1 | -151 | 7.2 | 114.3 | D764 | D764-R793 WeakPolarHBondContact OD1-CD 3.17Å; D764-R793 IonicContact OD1-NE 2.73Å; D764-R793 IonicContact OD1-NH1 3.88Å; D764-R793 IonicContact OD2-CZ 3.99Å; D764-R793 IonicContact OD2-NH1 3.98Å; D764-R793 PolarHBondContact OD2-NH1 2.97Å | ||
| 794 | G | 65.8 | Low | 83.2 | Confident | 22 Ų | 22 | 21.3 Ų | 21.3 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -113.9 | -174.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V796 | G794-V796 PolarHBondContact O-N 3.48Å; G794-V796 VanDerWaalsContact O-N 3.16Å |
| 795 | A | 67.1 | Low | 83.2 | Confident | 85 Ų | 85 | 26.7 Ų | 26.7 | 70% | 0.702 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -70.8 | -3.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 796 | V | 74.4 | Confident | 83.2 | Confident | 44 Ų | 44 | 30.5 Ų | 30.5 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -87.7 | 130.9 | -173.6 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | T662 G794 S798 | T662-V796 PolarHBondContact OG1-O 2.85Å; G794-V796 PolarHBondContact O-N 3.48Å; G794-V796 VanDerWaalsContact O-N 3.16Å; V796-S798 PolarHBondContact O-N 3.35Å; V796-S798 VanDerWaalsContact O-N 3.17Å; V796-S798 PolarHBondContact O-OG 3.3Å; V796-S798 VanDerWaalsContact O-OG 3.13Å |
| 797 | A | 81.4 | Confident | 83.5 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 51% | 0.512 | 22% | 0.217 | S | C | . | . | trans | -55.5 | 119.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 798 | S | 86.9 | Confident | 83.5 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -110.7 | 149.6 | -175.7 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | T665 S769 G792 V796 | T665-S798 PolarHBondContact N-O 2.86Å; S769-S798 CarbonylContact O-C 3.52Å; S769-S798 WeakPolarHBondContact O-CA 3.48Å; S769-S798 WeakPolarHBondContact O-CB 3.39Å; G792-S798 WeakPolarHBondContact CA-OG 3.32Å; G792-S798 PolarHBondContact N-OG 2.88Å; V796-S798 PolarHBondContact O-N 3.35Å; V796-S798 VanDerWaalsContact O-N 3.17Å; V796-S798 PolarHBondContact O-OG 3.3Å; V796-S798 VanDerWaalsContact O-OG 3.13Å | ||
| 799 | H | 91.6 | Very high | 83.4 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 28% | 0.282 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.9 | -173.7 | -61.4 | 78.9 | 0 | 0 | 0 | 110.7 | T665 S769 L770 M771 | T665-H799 CarbonylContact O-C 3.5Å; T665-H799 WeakPolarHBondContact O-CA 3.23Å; S769-H799 PolarHBondContact O-N 2.91Å; L770-H799 WeakPolarHBondContact CA-O 3.5Å; L770-H799 HydrophobicContact CD1-CB 3.78Å; M771-H799 PolarHBondContact N-O 3.1Å |
| 800 | C | 93.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.8 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | V664 T665 T666 V667 M771 R788 | V664-C800 HydrophobicContact CG1-CB 3.71Å; T665-C800 PolarHBondContact O-N 3.42Å; T666-C800 CarbonylContact C-O 3.57Å; T666-C800 VanDerWaalsContact CA-O 3.31Å; T666-C800 WeakPolarHBondContact CA-O 3.35Å; T666-C800 HydrophobicContact CG2-CB 4.27Å; V667-C800 PolarHBondContact N-O 3.4Å; M771-C800 HydrophobicContact CB-CB 4.39Å; M771-C800 CarbonylContact O-C 3.56Å; M771-C800 WeakPolarHBondContact O-CA 3.37Å; R788-C800 HydrophobicContact CG-CB 3.97Å |
| 801 | V | 94.2 | Very high | 83.9 | Confident | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.2 | -179.1 | -176 | 0 | 0 | 0 | 0 | 109.2 | V667 I669 I677 L770 M771 I772 I773 L803 | V667-V801 HydrophobicContact CG2-CB 4.34Å; V667-V801 HydrophobicContact CG2-CG1 4.34Å; V667-V801 HydrophobicContact CG2-CG2 3.93Å; I669-V801 HydrophobicContact CD1-CG1 4.18Å; I677-V801 HydrophobicContact CD1-CG1 3.84Å; I677-V801 HydrophobicContact CG1-CG1 4.13Å; I677-V801 HydrophobicContact CG2-CG1 4.49Å; L770-V801 HydrophobicContact CD1-CG2 4.24Å; M771-V801 PolarHBondContact O-N 2.78Å; I772-V801 WeakPolarHBondContact CA-O 3.43Å; I772-V801 HydrophobicContact CG1-CB 4.42Å; I773-V801 PolarHBondContact N-O 2.86Å; V801-L803 HydrophobicContact CG1-CD2 4.32Å; V801-L803 HydrophobicContact CG1-CG 4.17Å |
| 802 | L | 94.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 99.9 | 178.7 | -53.2 | 175.8 | 0 | 0 | 0 | 108.5 | T666 V667 A668 I669 I773 P776 L784 Y804 L816 L819 | T666-L802 HydrophobicContact CG2-CD1 3.75Å; T666-L802 HydrophobicContact CG2-CG 4.06Å; V667-L802 PolarHBondContact O-N 2.89Å; A668-L802 WeakPolarHBondContact CA-O 3.48Å; A668-L802 HydrophobicContact CB-CB 4.18Å; A668-L802 HydrophobicContact CB-CD1 4.45Å; I669-L802 PolarHBondContact N-O 3.45Å; I669-L802 VanDerWaalsContact O-O 3.12Å; I773-L802 HydrophobicContact CB-CD2 4.29Å; I773-L802 HydrophobicContact CD1-CD2 3.98Å; I773-L802 HydrophobicContact CG1-CD2 4.47Å; P776-L802 HydrophobicContact CB-CB 4.28Å; P776-L802 HydrophobicContact CB-CD2 4.28Å; P776-L802 HydrophobicContact CG-CB 3.87Å; L784-L802 HydrophobicContact CD2-CD2 4.45Å; L802-Y804 PolarHBondContact O-N 3.37Å; L802-L816 HydrophobicContact CB-CD2 4.45Å; L802-L816 HydrophobicContact CD1-CD2 3.93Å; L802-L819 HydrophobicContact CD1-CD2 3.8Å; L802-L819 HydrophobicContact CD2-CD2 4.06Å |
| 803 | L | 93.4 | Very high | 84.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 96 | -177.2 | -79.1 | 179 | 0 | 0 | 0 | 111.2 | I669 I677 W694 I772 I773 E774 N775 P776 V801 | I669-L803 HydrophobicContact CB-CD2 4.39Å; I669-L803 HydrophobicContact CG2-CD2 4.49Å; I669-L803 WeakPolarHBondContact O-CA 3.29Å; I677-L803 HydrophobicContact CG1-CD1 4.48Å; I677-L803 HydrophobicContact CG1-CD2 3.87Å; I677-L803 HydrophobicContact CG2-CD1 4.4Å; W694-L803 HydrophobicContact CH2-CD1 4.18Å; W694-L803 HydrophobicContact CZ2-CD1 4.04Å; I772-L803 HydrophobicContact CG2-CD1 3.52Å; I772-L803 HydrophobicContact CG2-CG 4.11Å; I773-L803 PolarHBondContact O-N 3.06Å; E774-L803 HydrophobicContact CG-CD1 4.32Å; N775-L803 PolarHBondContact N-O 2.62Å; P776-L803 VanDerWaalsContact CD-C 3.49Å; P776-L803 WeakPolarHBondContact CD-O 3.34Å; V801-L803 HydrophobicContact CG1-CD2 4.32Å; V801-L803 HydrophobicContact CG1-CG 4.17Å |
| 804 | Y | 92 | Very high | 85.7 | Confident | 50 Ų | 50 | 58 Ų | 58 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 152.1 | -172.9 | 71.2 | -99.2 | 0 | 0 | 0 | 113.8 | A668 I669 P670 D671 E777 L802 L808 L816 | A668-Y804 HydrophobicContact CB-CD1 4.16Å; A668-Y804 HydrophobicContact CB-CE1 4.2Å; I669-Y804 VanDerWaalsContact O-CD1 3.28Å; I669-Y804 WeakPolarHBondContact O-CD1 3.34Å; I669-Y804 PolarHBondContact O-N 2.81Å; P670-Y804 CarbonylContact C-O 3.47Å; P670-Y804 WeakPolarHBondContact CA-O 3.4Å; P670-Y804 HydrophobicContact CB-CE2 3.96Å; D671-Y804 PolarHBondContact N-O 3.24Å; E777-Y804 WeakPolarHBondContact OE2-CA 3.28Å; L802-Y804 PolarHBondContact O-N 3.37Å; Y804-L808 HydrophobicContact CD1-CD1 4.32Å; Y804-L808 HydrophobicContact CD2-CD1 3.56Å; Y804-L808 HydrophobicContact CD2-CD2 4.08Å; Y804-L808 HydrophobicContact CD2-CG 3.72Å; Y804-L808 HydrophobicContact CE1-CD1 4.5Å; Y804-L808 HydrophobicContact CE2-CD1 3.8Å; Y804-L808 HydrophobicContact CE2-CG 4.2Å; Y804-L808 HydrophobicContact CG-CD1 3.86Å; Y804-L808 HydrophobicContact CG-CD2 4.28Å; Y804-L808 HydrophobicContact CG-CG 4.28Å; Y804-L816 HydrophobicContact CD1-CD1 4.24Å; Y804-L816 HydrophobicContact CG-CD1 4.26Å |
| 805 | K | 88 | Confident | 86.8 | Confident | 114 Ų | 114 | 58.5 Ų | 58.5 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 136.2 | 173.8 | -168.9 | 167.9 | -174.8 | 171.5 | 0 | 111.5 | ||
| 806 | T | 85.7 | Confident | 87.9 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -89.5 | 139.4 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 807 | P | 86.6 | Confident | 88.7 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 78% | 0.779 | 30% | 0.299 | S | S | * | . | S | Bend | cis | -87.1 | 147 | -0.5 | 34.5 | -33.9 | 0 | 0 | 0 | 114 | ||
| 808 | L | 85.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -83 | 142.2 | 173 | -71 | 168.9 | 0 | 0 | 0 | 111.4 | E777 Y804 A812 L816 | E777-L808 HydrophobicContact CB-CD2 3.69Å; E777-L808 HydrophobicContact CG-CD2 4.28Å; Y804-L808 HydrophobicContact CD1-CD1 4.32Å; Y804-L808 HydrophobicContact CD2-CD1 3.56Å; Y804-L808 HydrophobicContact CD2-CD2 4.08Å; Y804-L808 HydrophobicContact CD2-CG 3.72Å; Y804-L808 HydrophobicContact CE1-CD1 4.5Å; Y804-L808 HydrophobicContact CE2-CD1 3.8Å; Y804-L808 HydrophobicContact CE2-CG 4.2Å; Y804-L808 HydrophobicContact CG-CD1 3.86Å; Y804-L808 HydrophobicContact CG-CD2 4.28Å; Y804-L808 HydrophobicContact CG-CG 4.28Å; L808-A812 HydrophobicContact CB-CB 4.37Å; L808-A812 HydrophobicContact CD2-CB 3.84Å; L808-L816 HydrophobicContact CD1-CD1 3.88Å; L808-L816 HydrophobicContact CD2-CD1 4.1Å |
| 809 | S | 86.1 | Confident | 89.2 | Confident | 67 Ų | 67 | 54 Ų | 54 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 155.4 | 165.1 | 70 | 0 | 0 | 0 | 0 | 110.5 | T811 A812 Q813 | S809-T811 PolarHBondContact O-N 3.14Å; S809-A812 PolarHBondContact O-N 2.98Å; S809-A812 WeakPolarHBondContact OG-CB 3.48Å; S809-A812 PolarHBondContact OG-N 3.29Å; S809-A812 VanDerWaalsContact OG-N 3.13Å; S809-Q813 PolarHBondContact O-N 3.42Å |
| 810 | K | 85.4 | Confident | 89.1 | Confident | 166 Ų | 166 | 56.6 Ų | 56.6 | 72% | 0.722 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -53 | -42 | 176.4 | -172.2 | 178.5 | 179.2 | -176.7 | 0 | 111.4 | Q813 I814 | K810-Q813 PolarHBondContact O-N 2.95Å; K810-I814 HydrophobicContact CG-CD1 4.2Å; K810-I814 VanDerWaalsContact O-CG1 3.3Å; K810-I814 WeakPolarHBondContact O-CG1 3.47Å; K810-I814 PolarHBondContact O-N 3.21Å |
| 811 | T | 84 | Confident | 89 | Confident | 71 Ų | 71 | 62 Ų | 62 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.1 | -45.6 | 0 | 0 | 0 | 0 | 112.6 | S809 R815 I835 | S809-T811 PolarHBondContact O-N 3.14Å; T811-R815 WeakPolarHBondContact O-CG 3.5Å; T811-R815 PolarHBondContact O-N 2.91Å; T811-R815 VanDerWaalsContact O-N 3.12Å; T811-R815 PolarHBondContact O-NE 3.34Å; T811-I835 HydrophobicContact CG2-CG2 3.46Å; T811-I835 VanDerWaalsContact CG2-CG2 3.46Å |
| 812 | A | 86.2 | Confident | 88.6 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E777 L808 S809 R815 L816 | E777-A812 HydrophobicContact CB-CB 3.88Å; L808-A812 HydrophobicContact CB-CB 4.37Å; L808-A812 HydrophobicContact CD2-CB 3.84Å; S809-A812 PolarHBondContact O-N 2.98Å; S809-A812 WeakPolarHBondContact OG-CB 3.48Å; S809-A812 PolarHBondContact OG-N 3.29Å; S809-A812 VanDerWaalsContact OG-N 3.13Å; A812-R815 PolarHBondContact O-N 2.91Å; A812-L816 WeakPolarHBondContact O-CG 3Å; A812-L816 PolarHBondContact O-N 3.26Å |
| 813 | Q | 89.9 | Confident | 88 | Confident | 124 Ų | 124 | 65.5 Ų | 65.5 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.1 | -46.3 | 177.2 | -171.9 | 178.5 | 3.7 | 0 | 0 | 111.8 | S809 K810 L816 Q817 | S809-Q813 PolarHBondContact O-N 3.42Å; K810-Q813 PolarHBondContact O-N 2.95Å; Q813-L816 PolarHBondContact O-N 2.9Å; Q813-Q817 VanDerWaalsContact O-CB 3.31Å; Q813-Q817 WeakPolarHBondContact O-CB 3.47Å; Q813-Q817 PolarHBondContact O-N 3.37Å |
| 814 | I | 87.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 177.3 | -64.8 | 165.3 | 0 | 0 | 0 | 110.3 | K810 L816 Q817 V818 I835 | K810-I814 HydrophobicContact CG-CD1 4.2Å; K810-I814 VanDerWaalsContact O-CG1 3.3Å; K810-I814 WeakPolarHBondContact O-CG1 3.47Å; K810-I814 PolarHBondContact O-N 3.21Å; I814-L816 PolarHBondContact O-N 2.95Å; I814-Q817 WeakPolarHBondContact O-CB 3.28Å; I814-Q817 PolarHBondContact O-N 3.32Å; I814-V818 HydrophobicContact CG2-CG2 4.35Å; I814-V818 VanDerWaalsContact O-CG2 3.31Å; I814-V818 WeakPolarHBondContact O-CG2 3.41Å; I814-V818 PolarHBondContact O-N 2.8Å; I814-I835 HydrophobicContact CB-CD1 4.47Å; I814-I835 HydrophobicContact CG2-CD1 3.69Å; I814-I835 HydrophobicContact CG2-CG1 4.15Å |
| 815 | R | 88 | Confident | 86.6 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 178.3 | -72.3 | -177.4 | -68.4 | 158.3 | 0.8 | 112.3 | E777 L779 L781 T811 A812 Q817 V818 L819 I835 | E777-R815 PolarHBondContact O-NH1 3.07Å; E777-R815 PolarHBondContact O-NH2 2.68Å; L779-R815 PolarHBondContact O-NH1 3.03Å; L781-R815 HydrophobicContact CD1-CB 4.26Å; L781-R815 HydrophobicContact CD1-CG 3.86Å; L781-R815 HydrophobicContact CD2-CB 3.97Å; L781-R815 HydrophobicContact CD2-CG 4.43Å; L781-R815 WeakPolarHBondContact CD2-O 3.47Å; L781-R815 HydrophobicContact CG-CB 3.91Å; L781-R815 HydrophobicContact CG-CG 3.81Å; T811-R815 WeakPolarHBondContact O-CG 3.5Å; T811-R815 PolarHBondContact O-N 2.91Å; T811-R815 VanDerWaalsContact O-N 3.12Å; T811-R815 PolarHBondContact O-NE 3.34Å; A812-R815 PolarHBondContact O-N 2.91Å; R815-Q817 VanDerWaalsContact C-N 3.26Å; R815-Q817 PolarHBondContact O-N 2.89Å; R815-V818 PolarHBondContact O-N 3.14Å; R815-L819 PolarHBondContact O-N 3.3Å; R815-I835 HydrophobicContact CG-CD1 3.75Å; R815-I835 HydrophobicContact CG-CG2 4.17Å |
| 816 | L | 90.9 | Very high | 86 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 179.7 | -63 | 179.3 | 0 | 0 | 0 | 112 | P776 L784 L802 Y804 L808 A812 Q813 I814 R820 | P776-L816 HydrophobicContact CB-CD2 3.78Å; P776-L816 HydrophobicContact CG-CD1 4.4Å; P776-L816 HydrophobicContact CG-CD2 3.78Å; L784-L816 HydrophobicContact CD1-CD2 4.36Å; L802-L816 HydrophobicContact CB-CD2 4.45Å; L802-L816 HydrophobicContact CD1-CD2 3.93Å; Y804-L816 HydrophobicContact CD1-CD1 4.24Å; Y804-L816 HydrophobicContact CG-CD1 4.26Å; L808-L816 HydrophobicContact CD1-CD1 3.88Å; L808-L816 HydrophobicContact CD2-CD1 4.1Å; A812-L816 WeakPolarHBondContact O-CG 3Å; A812-L816 PolarHBondContact O-N 3.26Å; Q813-L816 PolarHBondContact O-N 2.9Å; I814-L816 PolarHBondContact O-N 2.95Å; L816-R820 WeakPolarHBondContact O-CG 3.41Å; L816-R820 PolarHBondContact O-N 2.76Å |
| 817 | Q | 91.4 | Very high | 85.7 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 175.9 | -171.5 | 60.8 | 33.7 | 0 | 0 | 111.7 | Q813 I814 R815 L819 R820 D821 | Q813-Q817 VanDerWaalsContact O-CB 3.31Å; Q813-Q817 WeakPolarHBondContact O-CB 3.47Å; Q813-Q817 PolarHBondContact O-N 3.37Å; I814-Q817 WeakPolarHBondContact O-CB 3.28Å; I814-Q817 PolarHBondContact O-N 3.32Å; R815-Q817 VanDerWaalsContact C-N 3.26Å; R815-Q817 PolarHBondContact O-N 2.89Å; Q817-L819 VanDerWaalsContact C-N 3.29Å; Q817-L819 PolarHBondContact O-N 2.83Å; Q817-R820 WeakPolarHBondContact O-CB 3.4Å; Q817-R820 PolarHBondContact O-N 3.01Å; Q817-D821 WeakPolarHBondContact CG-OD2 3.35Å; Q817-D821 PolarHBondContact NE2-OD1 2.9Å; Q817-D821 PolarHBondContact NE2-OD2 3.29Å; Q817-D821 VanDerWaalsContact O-CG 3.28Å; Q817-D821 PolarHBondContact O-N 3.43Å |
| 818 | V | 89.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.9 | -44.5 | 176.5 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | L781 I814 R815 R820 D821 S822 I828 K831 | L781-V818 HydrophobicContact CD1-CG1 4.34Å; L781-V818 HydrophobicContact CD2-CB 4.38Å; L781-V818 HydrophobicContact CD2-CG1 4.31Å; I814-V818 HydrophobicContact CG2-CG2 4.35Å; I814-V818 VanDerWaalsContact O-CG2 3.31Å; I814-V818 WeakPolarHBondContact O-CG2 3.41Å; I814-V818 PolarHBondContact O-N 2.8Å; R815-V818 PolarHBondContact O-N 3.14Å; V818-R820 VanDerWaalsContact C-N 3.29Å; V818-R820 PolarHBondContact O-N 3.29Å; V818-D821 PolarHBondContact O-N 3.12Å; V818-S822 PolarHBondContact O-N 2.92Å; V818-S822 VanDerWaalsContact O-N 3.12Å; V818-I828 HydrophobicContact CG1-CG1 4.19Å; V818-K831 HydrophobicContact CB-CB 4.4Å; V818-K831 HydrophobicContact CG1-CB 3.66Å; V818-K831 HydrophobicContact CG1-CG 4Å; V818-K831 HydrophobicContact CG2-CB 3.82Å; V818-K831 HydrophobicContact CG2-CD 4.38Å; V818-K831 HydrophobicContact CG2-CG 3.96Å |
| 819 | L | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.6 | -24.9 | -179.3 | -165.3 | 69.9 | 0 | 0 | 0 | 113.1 | T666 L781 L784 H785 R788 L802 R815 Q817 I828 | T666-L819 HydrophobicContact CG2-CG 4.38Å; L781-L819 HydrophobicContact CD2-CB 4.32Å; L784-L819 HydrophobicContact CB-CD2 3.56Å; L784-L819 HydrophobicContact CD1-CD2 4.16Å; L784-L819 HydrophobicContact CG-CD2 4.36Å; H785-L819 HydrophobicContact CB-CD1 4.31Å; R788-L819 PolarHBondContact NH1-O 3.37Å; L802-L819 HydrophobicContact CD1-CD2 3.8Å; L802-L819 HydrophobicContact CD2-CD2 4.06Å; R815-L819 PolarHBondContact O-N 3.3Å; Q817-L819 VanDerWaalsContact C-N 3.29Å; Q817-L819 PolarHBondContact O-N 2.83Å; L819-I828 HydrophobicContact CD1-CD1 3.82Å |
| 820 | R | 90.8 | Very high | 84.5 | Confident | 114 Ų | 114 | 55.2 Ų | 55.2 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.1 | -40.8 | 173.5 | -73 | 173.2 | 63 | -161.9 | -1.2 | 112.1 | T666 A668 L816 Q817 V818 | T666-R820 HydrophobicContact CG2-CG 4.27Å; A668-R820 HydrophobicContact CB-CG 4.5Å; L816-R820 WeakPolarHBondContact O-CG 3.41Å; L816-R820 PolarHBondContact O-N 2.76Å; Q817-R820 WeakPolarHBondContact O-CB 3.4Å; Q817-R820 PolarHBondContact O-N 3.01Å; V818-R820 VanDerWaalsContact C-N 3.29Å; V818-R820 PolarHBondContact O-N 3.29Å |
| 821 | D | 89.4 | Confident | 84.3 | Confident | 114 Ų | 114 | 50.8 Ų | 50.8 | 61% | 0.61 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -80.7 | -25.7 | -171.4 | -65.5 | -16.6 | 0 | 0 | 0 | 112.7 | Q817 V818 | Q817-D821 WeakPolarHBondContact CG-OD2 3.35Å; Q817-D821 PolarHBondContact NE2-OD1 2.9Å; Q817-D821 PolarHBondContact NE2-OD2 3.29Å; Q817-D821 VanDerWaalsContact O-CG 3.28Å; Q817-D821 PolarHBondContact O-N 3.43Å; V818-D821 PolarHBondContact O-N 3.12Å |
| 822 | S | 86.3 | Confident | 84 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | trans | -128 | 134.5 | -178.4 | -173.5 | 0 | 0 | 0 | 0 | 113.1 | R788 V818 D824 | R788-S822 PolarHBondContact NH1-O 3.26Å; R788-S822 PolarHBondContact NH2-O 2.81Å; V818-S822 PolarHBondContact O-N 2.92Å; V818-S822 VanDerWaalsContact O-N 3.12Å; S822-D824 PolarHBondContact OG-N 3.25Å; S822-D824 PolarHBondContact OG-O 3.41Å | ||
| 823 | N | 81.3 | Confident | 83.1 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | trans | -91.9 | -11.7 | 164.7 | -80.8 | -63.3 | 0 | 0 | 0 | 112.9 | V664 R788 G825 | V664-N823 PolarHBondContact O-ND2 3Å; V664-N823 PolarHBondContact O-OD1 3.24Å; V664-N823 VanDerWaalsContact O-OD1 3.1Å; R788-N823 PolarHBondContact NH1-OD1 3.1Å; R788-N823 PolarHBondContact NH2-O 2.93Å; N823-G825 PolarHBondContact O-N 3.31Å | ||
| 824 | D | 80.3 | Confident | 82.3 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | trans | -80.1 | 116 | -176.4 | -176.3 | -10.6 | 0 | 0 | 0 | 111.1 | S822 F826 V827 I828 | S822-D824 PolarHBondContact OG-N 3.25Å; S822-D824 PolarHBondContact OG-O 3.41Å; D824-F826 PolarHBondContact O-N 3.15Å; D824-F826 WeakPolarHBondContact OD1-CB 3.26Å; D824-F826 PolarHBondContact OD1-N 3.26Å; D824-V827 HydrophobicContact CB-CB 4.29Å; D824-V827 HydrophobicContact CB-CG2 4Å; D824-V827 PolarHBondContact O-N 3.49Å; D824-I828 WeakPolarHBondContact O-CG1 3.49Å; D824-I828 PolarHBondContact O-N 3Å; D824-I828 VanDerWaalsContact O-N 3.09Å | ||
| 825 | G | 77.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.6 | -29.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H785 N823 A829 | H785-G825 WeakPolarHBondContact NE2-CA 3.44Å; N823-G825 PolarHBondContact O-N 3.31Å; G825-A829 WeakPolarHBondContact O-CB 3.17Å; G825-A829 PolarHBondContact O-N 3.49Å |
| 826 | F | 73.9 | Confident | 80.6 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.3 | -45 | 177.7 | -74 | -88.9 | 0 | 0 | 0 | 111.4 | Q501 P636 V653 D824 I828 A829 Q830 | Q501-F826 HydrophobicContact CB-CZ 4.41Å; P636-F826 HydrophobicContact CB-CB 4.29Å; P636-F826 HydrophobicContact CB-CD1 3.4Å; P636-F826 VanDerWaalsContact CB-CD1 3.4Å; P636-F826 HydrophobicContact CB-CD2 3.87Å; P636-F826 HydrophobicContact CB-CE1 3.48Å; P636-F826 VanDerWaalsContact CB-CE1 3.48Å; P636-F826 HydrophobicContact CB-CE2 3.91Å; P636-F826 HydrophobicContact CB-CG 3.59Å; P636-F826 HydrophobicContact CB-CZ 3.68Å; P636-F826 HydrophobicContact CG-CD1 4.35Å; P636-F826 HydrophobicContact CG-CD2 3.92Å; P636-F826 HydrophobicContact CG-CE1 4.38Å; P636-F826 HydrophobicContact CG-CE2 3.93Å; P636-F826 HydrophobicContact CG-CG 4.1Å; P636-F826 HydrophobicContact CG-CZ 4.13Å; V653-F826 HydrophobicContact CB-CZ 4.35Å; V653-F826 HydrophobicContact CG1-CE1 3.9Å; V653-F826 HydrophobicContact CG1-CE2 3.96Å; V653-F826 HydrophobicContact CG1-CZ 3.32Å; V653-F826 HydrophobicContact CG2-CE1 4.16Å; V653-F826 HydrophobicContact CG2-CZ 4.24Å; D824-F826 PolarHBondContact O-N 3.15Å; D824-F826 WeakPolarHBondContact OD1-CB 3.26Å; D824-F826 PolarHBondContact OD1-N 3.26Å; F826-I828 VanDerWaalsContact C-N 3.32Å; F826-I828 PolarHBondContact O-N 3.14Å; F826-A829 PolarHBondContact O-N 3.32Å; F826-Q830 PolarHBondContact O-N 3.18Å |
| 827 | V | 80.4 | Confident | 79 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 176 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | D824 Q830 K831 | D824-V827 HydrophobicContact CB-CB 4.29Å; D824-V827 HydrophobicContact CB-CG2 4Å; D824-V827 PolarHBondContact O-N 3.49Å; V827-Q830 PolarHBondContact O-N 2.72Å; V827-K831 WeakPolarHBondContact O-CG 3.43Å; V827-K831 PolarHBondContact O-N 3.26Å |
| 828 | I | 82.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 178.6 | -68.2 | 163.8 | 0 | 0 | 0 | 111 | L781 H785 V818 L819 D824 F826 K831 D832 | L781-I828 HydrophobicContact CB-CG2 4.01Å; L781-I828 HydrophobicContact CD2-CG2 4.28Å; H785-I828 HydrophobicContact CB-CD1 4.38Å; H785-I828 HydrophobicContact CB-CG2 4.31Å; H785-I828 WeakPolarHBondContact ND1-CD1 3.34Å; V818-I828 HydrophobicContact CG1-CG1 4.19Å; L819-I828 HydrophobicContact CD1-CD1 3.82Å; D824-I828 WeakPolarHBondContact O-CG1 3.49Å; D824-I828 PolarHBondContact O-N 3Å; D824-I828 VanDerWaalsContact O-N 3.09Å; F826-I828 VanDerWaalsContact C-N 3.32Å; F826-I828 PolarHBondContact O-N 3.14Å; I828-K831 PolarHBondContact O-N 2.88Å; I828-D832 WeakPolarHBondContact O-CB 3.42Å; I828-D832 PolarHBondContact O-N 2.93Å |
| 829 | A | 75.7 | Confident | 75.1 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P636 P638 G825 F826 D832 L833 | P636-A829 WeakPolarHBondContact O-CB 3.38Å; P638-A829 HydrophobicContact CG-CB 4.3Å; G825-A829 WeakPolarHBondContact O-CB 3.17Å; G825-A829 PolarHBondContact O-N 3.49Å; F826-A829 PolarHBondContact O-N 3.32Å; A829-D832 PolarHBondContact O-N 3.48Å; A829-L833 WeakPolarHBondContact O-CB 3.46Å; A829-L833 PolarHBondContact O-N 3.4Å |
| 830 | Q | 75.4 | Confident | 73 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 36% | 0.36 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 173.6 | -176 | 175.9 | 14.6 | 0 | 0 | 111 | P638 F826 V827 L833 E834 | P638-Q830 HydrophobicContact CG-CB 4.39Å; F826-Q830 PolarHBondContact O-N 3.18Å; V827-Q830 PolarHBondContact O-N 2.72Å; Q830-L833 WeakPolarHBondContact O-CB 3.44Å; Q830-L833 PolarHBondContact O-N 3.22Å; Q830-E834 WeakPolarHBondContact O-CG 3.47Å; Q830-E834 PolarHBondContact O-N 3.1Å |
| 831 | K | 80.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 48.1 Ų | 48.1 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.8 | -34.6 | 176.2 | -68.6 | -66.8 | 170.4 | -145.8 | 0 | 112.9 | V818 V827 I828 L833 E834 I835 | V818-K831 HydrophobicContact CB-CB 4.4Å; V818-K831 HydrophobicContact CG1-CB 3.66Å; V818-K831 HydrophobicContact CG1-CG 4Å; V818-K831 HydrophobicContact CG2-CB 3.82Å; V818-K831 HydrophobicContact CG2-CD 4.38Å; V818-K831 HydrophobicContact CG2-CG 3.96Å; V827-K831 WeakPolarHBondContact O-CG 3.43Å; V827-K831 PolarHBondContact O-N 3.26Å; I828-K831 PolarHBondContact O-N 2.88Å; K831-L833 VanDerWaalsContact C-N 3.34Å; K831-E834 WeakPolarHBondContact CD-OE2 3.18Å; K831-E834 IonicContact NZ-OE1 3.12Å; K831-E834 PolarHBondContact NZ-OE1 2.85Å; K831-E834 IonicContact NZ-OE2 3.88Å; K831-E834 PolarHBondContact NZ-OE2 2.65Å; K831-E834 PolarHBondContact O-N 2.83Å; K831-I835 WeakPolarHBondContact O-CB 3.02Å; K831-I835 VanDerWaalsContact O-CD1 3.29Å; K831-I835 WeakPolarHBondContact O-CD1 3.18Å; K831-I835 WeakPolarHBondContact O-CG1 3.24Å; K831-I835 PolarHBondContact O-N 3.02Å |
| 832 | D | 77 | Confident | 68.5 | Low | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 173 | -164 | 42.2 | 0 | 0 | 0 | 111.2 | L781 I828 A829 I835 R836 | L781-D832 HydrophobicContact CB-CB 3.83Å; L781-D832 WeakPolarHBondContact CB-OD1 3.49Å; L781-D832 HydrophobicContact CD1-CB 3.78Å; L781-D832 HydrophobicContact CG-CB 4.44Å; I828-D832 WeakPolarHBondContact O-CB 3.42Å; I828-D832 PolarHBondContact O-N 2.93Å; A829-D832 PolarHBondContact O-N 3.48Å; D832-I835 PolarHBondContact O-N 2.86Å; D832-R836 WeakPolarHBondContact O-CB 3.21Å; D832-R836 PolarHBondContact O-N 3.22Å; D832-R836 WeakPolarHBondContact OD1-CD 3.25Å; D832-R836 IonicContact OD1-CZ 2.73Å; D832-R836 IonicContact OD1-NE 3.78Å; D832-R836 IonicContact OD1-NH1 3.79Å; D832-R836 IonicContact OD2-CZ 3.53Å; D832-R836 IonicContact OD2-NH1 2.98Å; D832-R836 PolarHBondContact OD2-NH1 3.34Å |
| 833 | L | 68.3 | Low | 66.2 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.8 | -176.3 | 63.6 | 0 | 0 | 0 | 111.4 | P638 L641 A829 Q830 K831 I835 G837 P838 L841 L858 | P638-L833 HydrophobicContact CB-CD2 3.97Å; P638-L833 HydrophobicContact CG-CB 4.2Å; P638-L833 HydrophobicContact CG-CD2 3.76Å; L641-L833 HydrophobicContact CB-CD2 4.04Å; L641-L833 HydrophobicContact CD1-CD1 3.95Å; L641-L833 HydrophobicContact CD1-CD2 4.02Å; L641-L833 HydrophobicContact CD2-CD1 4.11Å; L641-L833 HydrophobicContact CD2-CD2 4.28Å; L641-L833 HydrophobicContact CG-CD2 4.35Å; A829-L833 WeakPolarHBondContact O-CB 3.46Å; A829-L833 PolarHBondContact O-N 3.4Å; Q830-L833 WeakPolarHBondContact O-CB 3.44Å; Q830-L833 PolarHBondContact O-N 3.22Å; K831-L833 VanDerWaalsContact C-N 3.34Å; L833-I835 VanDerWaalsContact C-N 3.27Å; L833-I835 PolarHBondContact O-N 2.7Å; L833-G837 VanDerWaalsContact O-CA 3.27Å; L833-G837 WeakPolarHBondContact O-CA 2.97Å; L833-G837 PolarHBondContact O-N 3.22Å; L833-P838 VanDerWaalsContact CD1-CA 3.47Å; L833-P838 HydrophobicContact CD1-CB 3.98Å; L833-L841 HydrophobicContact CB-CD1 3.64Å; L833-L841 HydrophobicContact CD1-CD1 3.43Å; L833-L841 VanDerWaalsContact CD1-CD1 3.43Å; L833-L841 HydrophobicContact CG-CD1 4.1Å; L833-L858 HydrophobicContact CB-CD2 4.39Å; L833-L858 HydrophobicContact CD2-CD2 3.57Å; L833-L858 HydrophobicContact CD2-CG 3.97Å; L833-L858 HydrophobicContact CG-CD1 3.92Å; L833-L858 HydrophobicContact CG-CD2 3.75Å; L833-L858 HydrophobicContact CG-CG 3.9Å; L833-L858 WeakPolarHBondContact O-CD1 3.44Å |
| 834 | E | 72.8 | Confident | 64.2 | Low | 91 Ų | 91 | 42.7 Ų | 42.7 | 43% | 0.425 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -34.7 | 174.8 | -72.9 | 173.8 | -152 | 0 | 0 | 112.9 | Q830 K831 L858 | Q830-E834 WeakPolarHBondContact O-CG 3.47Å; Q830-E834 PolarHBondContact O-N 3.1Å; K831-E834 WeakPolarHBondContact CD-OE2 3.18Å; K831-E834 IonicContact NZ-OE1 3.12Å; K831-E834 PolarHBondContact NZ-OE1 2.85Å; K831-E834 IonicContact NZ-OE2 3.88Å; K831-E834 PolarHBondContact NZ-OE2 2.65Å; K831-E834 PolarHBondContact O-N 2.83Å; E834-L858 HydrophobicContact CG-CD1 4.41Å; E834-L858 HydrophobicContact CG-CD2 4.16Å |
| 835 | I | 72.8 | Confident | 62.1 | Low | 45 Ų | 45 | 48.3 Ų | 48.3 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -82.6 | -41.9 | -176.8 | -67.6 | 163.8 | 0 | 0 | 0 | 112.1 | L781 T811 I814 R815 K831 D832 L833 | L781-I835 HydrophobicContact CD1-CD1 3.8Å; T811-I835 HydrophobicContact CG2-CG2 3.46Å; T811-I835 VanDerWaalsContact CG2-CG2 3.46Å; I814-I835 HydrophobicContact CB-CD1 4.47Å; I814-I835 HydrophobicContact CG2-CD1 3.69Å; I814-I835 HydrophobicContact CG2-CG1 4.15Å; R815-I835 HydrophobicContact CG-CD1 3.75Å; R815-I835 HydrophobicContact CG-CG2 4.17Å; K831-I835 WeakPolarHBondContact O-CB 3.02Å; K831-I835 VanDerWaalsContact O-CD1 3.29Å; K831-I835 WeakPolarHBondContact O-CD1 3.18Å; K831-I835 WeakPolarHBondContact O-CG1 3.24Å; K831-I835 PolarHBondContact O-N 3.02Å; D832-I835 PolarHBondContact O-N 2.86Å; L833-I835 VanDerWaalsContact C-N 3.27Å; L833-I835 PolarHBondContact O-N 2.7Å |
| 836 | R | 66.1 | Low | 60.1 | Low | 94 Ų | 94 | 57.2 Ų | 57.2 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -89.2 | -26.5 | -176 | -72.5 | 178.5 | 158.5 | 168.7 | -18.2 | 113.7 | D832 | D832-R836 WeakPolarHBondContact O-CB 3.21Å; D832-R836 PolarHBondContact O-N 3.22Å; D832-R836 WeakPolarHBondContact OD1-CD 3.25Å; D832-R836 IonicContact OD1-CZ 2.73Å; D832-R836 IonicContact OD1-NE 3.78Å; D832-R836 IonicContact OD1-NH1 3.79Å; D832-R836 IonicContact OD2-CZ 3.53Å; D832-R836 IonicContact OD2-NH1 2.98Å; D832-R836 PolarHBondContact OD2-NH1 3.34Å |
| 837 | G | 59.3 | Low | 58.4 | Low | 21 Ų | 21 | 57.3 Ų | 57.3 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | trans | 78.1 | 162 | -165 | 0 | 0 | 0 | 0 | 0 | 112.6 | L833 G839 | L833-G837 VanDerWaalsContact O-CA 3.27Å; L833-G837 WeakPolarHBondContact O-CA 2.97Å; L833-G837 PolarHBondContact O-N 3.22Å; G837-G839 PolarHBondContact O-N 3.35Å | ||
| 838 | P | 49.8 | Very low | 56.2 | Low | 29 Ų | 29 | 56.7 Ų | 56.7 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.2 | -27.2 | -171.9 | 23 | -32.2 | 0 | 0 | 0 | 115.8 | L641 L833 E840 L841 | L641-P838 HydrophobicContact CD1-CB 4.06Å; L833-P838 VanDerWaalsContact CD1-CA 3.47Å; L833-P838 HydrophobicContact CD1-CB 3.98Å; P838-E840 VanDerWaalsContact C-N 3.31Å; P838-E840 PolarHBondContact O-N 3.01Å; P838-L841 PolarHBondContact O-N 3.09Å |
| 839 | G | 47.7 | Very low | 54.2 | Low | 30 Ų | 30 | 60 Ų | 60 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -25.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G837 T844 | G837-G839 PolarHBondContact O-N 3.35Å; G839-T844 PolarHBondContact O-OG1 3.1Å |
| 840 | E | 44.3 | Very low | 53 | Low | 94 Ų | 94 | 61.6 Ų | 61.6 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -85.6 | -34.7 | 179.2 | -69.1 | -167.7 | 164.3 | 0 | 0 | 113.2 | P838 L842 G843 R845 | P838-E840 VanDerWaalsContact C-N 3.31Å; P838-E840 PolarHBondContact O-N 3.01Å; E840-L842 VanDerWaalsContact C-N 3.32Å; E840-L842 PolarHBondContact O-N 2.93Å; E840-G843 PolarHBondContact O-N 2.64Å; E840-R845 IonicContact OE1-CZ 3.11Å; E840-R845 IonicContact OE1-NH1 3.65Å; E840-R845 PolarHBondContact OE1-NH1 2.95Å |
| 841 | L | 42.9 | Very low | 52.3 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.1 | -25.1 | -174.8 | -88.6 | 158.9 | 0 | 0 | 0 | 113.8 | L641 L833 P838 | L641-L841 HydrophobicContact CD2-CB 4.1Å; L833-L841 HydrophobicContact CB-CD1 3.64Å; L833-L841 HydrophobicContact CD1-CD1 3.43Å; L833-L841 VanDerWaalsContact CD1-CD1 3.43Å; L833-L841 HydrophobicContact CG-CD1 4.1Å; P838-L841 PolarHBondContact O-N 3.09Å |
| 842 | L | 43 | Very low | 52 | Low | 32 Ų | 32 | 63.1 Ų | 63.1 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.4 | -179.1 | -61.2 | -179.6 | 0 | 0 | 0 | 113.2 | L641 A645 Y646 E840 T844 | L641-L842 HydrophobicContact CD1-CD1 4.14Å; L641-L842 HydrophobicContact CD1-CD2 4.37Å; L641-L842 HydrophobicContact CD1-CG 4.34Å; L641-L842 HydrophobicContact CD2-CD2 3.76Å; L641-L842 HydrophobicContact CD2-CG 4.3Å; L641-L842 HydrophobicContact CG-CD2 3.95Å; L641-L842 HydrophobicContact CG-CG 4.44Å; A645-L842 HydrophobicContact CB-CD1 3.43Å; A645-L842 VanDerWaalsContact CB-CD1 3.43Å; A645-L842 HydrophobicContact CB-CD2 3.15Å; A645-L842 HydrophobicContact CB-CG 3.88Å; Y646-L842 HydrophobicContact CE2-CD2 4.01Å; E840-L842 VanDerWaalsContact C-N 3.32Å; E840-L842 PolarHBondContact O-N 2.93Å; L842-T844 HydrophobicContact CB-CG2 3.62Å; L842-T844 HydrophobicContact CD1-CG2 4.47Å; L842-T844 PolarHBondContact O-N 3.21Å |
| 843 | G | 39 | Very low | 52 | Low | 34 Ų | 34 | 67.1 Ų | 67.1 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E840 R845 Q846 T847 | E840-G843 PolarHBondContact O-N 2.64Å; G843-R845 PolarHBondContact O-N 3.48Å; G843-R845 VanDerWaalsContact O-N 3.15Å; G843-Q846 PolarHBondContact O-N 2.92Å; G843-T847 PolarHBondContact O-N 2.75Å; G843-T847 PolarHBondContact O-OG1 3.24Å; G843-T847 VanDerWaalsContact O-OG1 3.06Å |
| 844 | T | 39.4 | Very low | 52.7 | Low | 15 Ų | 15 | 68 Ų | 68 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -28.9 | -170.2 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | G839 L842 Q846 T847 G848 N849 | G839-T844 PolarHBondContact O-OG1 3.1Å; L842-T844 HydrophobicContact CB-CG2 3.62Å; L842-T844 HydrophobicContact CD1-CG2 4.47Å; L842-T844 PolarHBondContact O-N 3.21Å; T844-Q846 PolarHBondContact O-N 2.9Å; T844-T847 WeakPolarHBondContact CA-OG1 3.4Å; T844-T847 PolarHBondContact O-N 2.82Å; T844-G848 PolarHBondContact O-N 3.32Å; T844-N849 HydrophobicContact CG2-CB 3.88Å |
| 845 | R | 36.4 | Very low | 53.2 | Low | 191 Ų | 191 | 64 Ų | 64 | 72% | 0.721 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.3 | -26.7 | 173.2 | -79.7 | -171.4 | -178.7 | 140.7 | 4.8 | 114.1 | E840 G843 | E840-R845 IonicContact OE1-CZ 3.11Å; E840-R845 IonicContact OE1-NH1 3.65Å; E840-R845 PolarHBondContact OE1-NH1 2.95Å; G843-R845 PolarHBondContact O-N 3.48Å; G843-R845 VanDerWaalsContact O-N 3.15Å |
| 846 | Q | 35.9 | Very low | 53.4 | Low | 189 Ų | 189 | 64.7 Ų | 64.7 | 88% | 0.883 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -104 | -23.8 | 178.4 | -72.8 | -171.8 | -11.8 | 0 | 0 | 113.2 | G843 T844 | G843-Q846 PolarHBondContact O-N 2.92Å; T844-Q846 PolarHBondContact O-N 2.9Å |
| 847 | T | 36.6 | Very low | 53.8 | Low | 52 Ų | 52 | 60.3 Ų | 60.3 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -102 | -0.6 | -172 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | G843 T844 N849 Y896 | G843-T847 PolarHBondContact O-N 2.75Å; G843-T847 PolarHBondContact O-OG1 3.24Å; G843-T847 VanDerWaalsContact O-OG1 3.06Å; T844-T847 WeakPolarHBondContact CA-OG1 3.4Å; T844-T847 PolarHBondContact O-N 2.82Å; T847-N849 PolarHBondContact O-N 2.8Å; T847-Y896 VanDerWaalsContact O-CE1 3.29Å; T847-Y896 WeakPolarHBondContact O-CE1 3.38Å |
| 848 | G | 33.9 | Very low | 54.2 | Low | 42 Ų | 42 | 60.8 Ų | 60.8 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | trans | 65 | 7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T844 Y896 | T844-G848 PolarHBondContact O-N 3.32Å; G848-Y896 VanDerWaalsContact C-OH 3.3Å; G848-Y896 WeakPolarHBondContact CA-OH 3.48Å; G848-Y896 PolarHBondContact O-OH 3.23Å | ||
| 849 | N | 41.2 | Very low | 55.6 | Low | 73 Ų | 73 | 63.5 Ų | 63.5 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | trans | -65.2 | 135.9 | 177.6 | -88.1 | -4.7 | 0 | 0 | 0 | 110.5 | T844 T847 E851 | T844-N849 HydrophobicContact CG2-CB 3.88Å; T847-N849 PolarHBondContact O-N 2.8Å; N849-E851 PolarHBondContact O-N 2.96Å; N849-E851 VanDerWaalsContact O-N 3.1Å | ||
| 850 | A | 50.6 | Low | 57.2 | Low | 47 Ų | 47 | 62.4 Ų | 62.4 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | trans | -46 | 110.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F852 M890 | A850-F852 PolarHBondContact O-N 2.98Å; A850-M890 HydrophobicContact CB-CE 3.77Å | ||
| 851 | E | 61.3 | Low | 58.7 | Low | 135 Ų | 135 | 61.8 Ų | 61.8 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | trans | -66.9 | 127.5 | 162.8 | -68.4 | -174.6 | 160.4 | 0 | 0 | 107.7 | N849 K853 | N849-E851 PolarHBondContact O-N 2.96Å; N849-E851 VanDerWaalsContact O-N 3.1Å; E851-K853 PolarHBondContact O-N 2.83Å | ||
| 852 | F | 74 | Confident | 60.6 | Low | 49 Ų | 49 | 63.2 Ų | 63.2 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | trans | -59.9 | 124.8 | 170.7 | -67.2 | -81.3 | 0 | 0 | 0 | 108.7 | E434 L435 H438 A850 A855 L857 | E434-F852 HydrophobicContact CG-CD1 3.92Å; E434-F852 WeakPolarHBondContact OE1-CA 3.3Å; L435-F852 HydrophobicContact CD2-CD1 4.31Å; L435-F852 HydrophobicContact CD2-CE1 3.84Å; L435-F852 HydrophobicContact CD2-CZ 4.42Å; H438-F852 HydrophobicContact CB-CE1 4.06Å; H438-F852 HydrophobicContact CB-CZ 4.45Å; H438-F852 AromaticContact CG-CZ 3.95Å; A850-F852 PolarHBondContact O-N 2.98Å; F852-A855 HydrophobicContact CB-CB 4.16Å; F852-A855 WeakPolarHBondContact CB-O 3.28Å; F852-A855 HydrophobicContact CD1-CB 3.89Å; F852-A855 HydrophobicContact CG-CB 4.21Å; F852-L857 HydrophobicContact CD2-CD1 4.27Å; F852-L857 HydrophobicContact CD2-CD2 4.4Å; F852-L857 HydrophobicContact CD2-CG 4.07Å; F852-L857 HydrophobicContact CE1-CD2 4.45Å; F852-L857 HydrophobicContact CE2-CD1 3.62Å; F852-L857 HydrophobicContact CE2-CD2 3.8Å; F852-L857 HydrophobicContact CE2-CG 3.72Å; F852-L857 HydrophobicContact CZ-CD1 4.32Å; F852-L857 HydrophobicContact CZ-CD2 3.83Å; F852-L857 HydrophobicContact CZ-CG 4.28Å | ||
| 853 | K | 76.4 | Confident | 62.6 | Low | 84 Ų | 84 | 62.6 Ų | 62.6 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -74.5 | -32.9 | 179.3 | -59.5 | -180 | -178.5 | 178.8 | 0 | 111.4 | L244 E434 E851 W889 | L244-K853 HydrophobicContact CB-CD 4.17Å; E434-K853 WeakPolarHBondContact OE1-CB 3.46Å; E434-K853 PolarHBondContact OE1-N 3.37Å; E434-K853 PolarHBondContact OE2-N 3.29Å; E851-K853 PolarHBondContact O-N 2.83Å; K853-W889 HydrophobicContact CB-CZ3 4.34Å; K853-W889 HydrophobicContact CD-CE3 4.43Å; K853-W889 HydrophobicContact CD-CZ3 4.37Å |
| 854 | V | 83.2 | Confident | 64.6 | Low | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -128.9 | -42.9 | -173.6 | -160.3 | 0 | 0 | 0 | 0 | 112.4 | L246 L430 I431 E434 R859 W889 | L246-V854 HydrophobicContact CD1-CB 4.12Å; L246-V854 HydrophobicContact CD1-CG1 3.74Å; L246-V854 HydrophobicContact CD1-CG2 3.37Å; L246-V854 HydrophobicContact CG-CG2 4.37Å; L430-V854 HydrophobicContact CB-CB 4.45Å; L430-V854 HydrophobicContact CB-CG1 4.14Å; L430-V854 HydrophobicContact CB-CG2 4.11Å; L430-V854 HydrophobicContact CD1-CG2 4.4Å; I431-V854 HydrophobicContact CG1-CB 4.24Å; I431-V854 HydrophobicContact CG1-CG1 3.73Å; E434-V854 WeakPolarHBondContact OE2-CA 3.48Å; E434-V854 PolarHBondContact OE2-N 3.09Å; V854-R859 PolarHBondContact O-NH2 3.34Å; V854-W889 HydrophobicContact CG2-CH2 3.88Å; V854-W889 HydrophobicContact CG2-CZ3 3.89Å |
| 855 | A | 82.6 | Confident | 66.5 | Low | 9 Ų | 9 | 64 Ų | 64 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | trans | -72.5 | 132.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | I431 E434 L435 F852 D860 | I431-A855 HydrophobicContact CG2-CB 3.86Å; E434-A855 WeakPolarHBondContact OE2-CB 3.37Å; E434-A855 PolarHBondContact OE2-N 3.09Å; L435-A855 HydrophobicContact CD1-CB 4.44Å; L435-A855 HydrophobicContact CD2-CB 3.79Å; L435-A855 HydrophobicContact CG-CB 3.86Å; F852-A855 HydrophobicContact CB-CB 4.16Å; F852-A855 WeakPolarHBondContact CB-O 3.28Å; F852-A855 HydrophobicContact CD1-CB 3.89Å; F852-A855 HydrophobicContact CG-CB 4.21Å; A855-D860 WeakPolarHBondContact CA-OD2 3.45Å | ||
| 856 | D | 78.9 | Confident | 68.9 | Low | 58 Ų | 58 | 59.4 Ų | 59.4 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | trans | -109.8 | 113.6 | 165.9 | 178.4 | -40.7 | 0 | 0 | 0 | 107.4 | L858 R859 D860 | D856-L858 PolarHBondContact O-N 2.96Å; D856-L858 VanDerWaalsContact O-N 3.08Å; D856-L858 WeakPolarHBondContact OD1-CA 3.32Å; D856-L858 WeakPolarHBondContact OD1-CB 3.49Å; D856-L858 PolarHBondContact OD1-N 2.84Å; D856-R859 HydrophobicContact CB-CB 3.81Å; D856-R859 PolarHBondContact O-N 2.99Å; D856-R859 PolarHBondContact OD1-N 2.97Å; D856-R859 VanDerWaalsContact OD1-N 3.12Å; D856-D860 PolarHBondContact N-OD2 3.21Å; D856-D860 WeakPolarHBondContact O-CB 3.44Å; D856-D860 PolarHBondContact O-N 3.06Å | ||
| 857 | L | 73.5 | Confident | 71.4 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.8 | -175 | -68.2 | -179 | 0 | 0 | 0 | 114.1 | L435 L641 T644 F852 Q861 | L435-L857 HydrophobicContact CD2-CD2 3.88Å; L641-L857 HydrophobicContact CD1-CD1 3.65Å; T644-L857 HydrophobicContact CG2-CD2 3.77Å; T644-L857 WeakPolarHBondContact OG1-CD1 3.42Å; F852-L857 HydrophobicContact CD2-CD1 4.27Å; F852-L857 HydrophobicContact CD2-CD2 4.4Å; F852-L857 HydrophobicContact CD2-CG 4.07Å; F852-L857 HydrophobicContact CE1-CD2 4.45Å; F852-L857 HydrophobicContact CE2-CD1 3.62Å; F852-L857 HydrophobicContact CE2-CD2 3.8Å; F852-L857 HydrophobicContact CE2-CG 3.72Å; F852-L857 HydrophobicContact CZ-CD1 4.32Å; F852-L857 HydrophobicContact CZ-CD2 3.83Å; F852-L857 HydrophobicContact CZ-CG 4.28Å; L857-Q861 WeakPolarHBondContact O-CB 3.49Å; L857-Q861 PolarHBondContact O-N 3.3Å |
| 858 | L | 67.8 | Low | 73.6 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -51.5 | 175.9 | -74.5 | 164.5 | 0 | 0 | 0 | 111.1 | L833 E834 D856 D860 Q861 | L833-L858 HydrophobicContact CB-CD2 4.39Å; L833-L858 HydrophobicContact CD2-CD2 3.57Å; L833-L858 HydrophobicContact CD2-CG 3.97Å; L833-L858 HydrophobicContact CG-CD1 3.92Å; L833-L858 HydrophobicContact CG-CD2 3.75Å; L833-L858 HydrophobicContact CG-CG 3.9Å; L833-L858 WeakPolarHBondContact O-CD1 3.44Å; E834-L858 HydrophobicContact CG-CD1 4.41Å; E834-L858 HydrophobicContact CG-CD2 4.16Å; D856-L858 PolarHBondContact O-N 2.96Å; D856-L858 VanDerWaalsContact O-N 3.08Å; D856-L858 WeakPolarHBondContact OD1-CA 3.32Å; D856-L858 WeakPolarHBondContact OD1-CB 3.49Å; D856-L858 PolarHBondContact OD1-N 2.84Å; L858-D860 VanDerWaalsContact C-N 3.28Å; L858-D860 PolarHBondContact O-N 2.84Å; L858-Q861 VanDerWaalsContact O-CG 3.29Å; L858-Q861 WeakPolarHBondContact O-CG 3.23Å |
| 859 | R | 79 | Confident | 76 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -42.6 | -179.1 | -173.8 | -171.9 | 70.5 | -161.3 | -14.4 | 111 | T421 I431 V854 D856 | T421-R859 WeakPolarHBondContact O-CD 3.48Å; I431-R859 VanDerWaalsContact CD1-NH2 3.29Å; V854-R859 PolarHBondContact O-NH2 3.34Å; D856-R859 HydrophobicContact CB-CB 3.81Å; D856-R859 PolarHBondContact O-N 2.99Å; D856-R859 PolarHBondContact OD1-N 2.97Å; D856-R859 VanDerWaalsContact OD1-N 3.12Å |
| 860 | D | 80.5 | Confident | 78.3 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 9.1 | -167.9 | -56.7 | -35 | 0 | 0 | 0 | 112.8 | I431 A855 D856 L858 A862 M863 | I431-D860 HydrophobicContact CG2-CB 3.94Å; I431-D860 WeakPolarHBondContact CG2-OD2 3.27Å; A855-D860 WeakPolarHBondContact CA-OD2 3.45Å; D856-D860 PolarHBondContact N-OD2 3.21Å; D856-D860 WeakPolarHBondContact O-CB 3.44Å; D856-D860 PolarHBondContact O-N 3.06Å; L858-D860 VanDerWaalsContact C-N 3.28Å; L858-D860 PolarHBondContact O-N 2.84Å; D860-A862 PolarHBondContact O-N 3.09Å; D860-M863 HydrophobicContact CB-CE 3.62Å; D860-M863 PolarHBondContact O-N 3.1Å |
| 861 | Q | 77.4 | Confident | 80.1 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -51.5 | -31.4 | -176.4 | 65.1 | -179.3 | -13.4 | 0 | 0 | 114.3 | T640 L857 L858 M863 I864 | T640-Q861 HydrophobicContact CG2-CB 3.88Å; L857-Q861 WeakPolarHBondContact O-CB 3.49Å; L857-Q861 PolarHBondContact O-N 3.3Å; L858-Q861 VanDerWaalsContact O-CG 3.29Å; L858-Q861 WeakPolarHBondContact O-CG 3.23Å; Q861-M863 PolarHBondContact O-N 2.97Å; Q861-I864 HydrophobicContact CB-CD1 4.39Å; Q861-I864 WeakPolarHBondContact O-CB 3.3Å; Q861-I864 PolarHBondContact O-N 3.01Å |
| 862 | A | 82.8 | Confident | 81.3 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 74% | 0.744 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -64.9 | -24.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D860 | D860-A862 PolarHBondContact O-N 3.09Š|
| 863 | M | 84.5 | Confident | 82 | Confident | 19 Ų | 19 | 52 Ų | 52 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -84.6 | -19.4 | 179.1 | -64.8 | -171 | -73.9 | 0 | 0 | 112.8 | I431 D860 Q861 E866 V867 | I431-M863 HydrophobicContact CB-CE 4.11Å; I431-M863 HydrophobicContact CD1-CE 4.44Å; I431-M863 HydrophobicContact CG2-CE 3.34Å; D860-M863 HydrophobicContact CB-CE 3.62Å; D860-M863 PolarHBondContact O-N 3.1Å; Q861-M863 PolarHBondContact O-N 2.97Å; M863-E866 WeakPolarHBondContact O-CB 3.49Å; M863-E866 PolarHBondContact O-N 3.16Å; M863-E866 VanDerWaalsContact O-N 3.14Å; M863-V867 WeakPolarHBondContact O-CG2 3.47Å; M863-V867 PolarHBondContact O-N 3.29Å |
| 864 | I | 81.2 | Confident | 82.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56 | -46.2 | -174.1 | -62.9 | 174.1 | 0 | 0 | 0 | 113.1 | T640 T644 Q861 E866 V867 Q868 | T640-I864 HydrophobicContact CG2-CD1 4.27Å; T644-I864 HydrophobicContact CG2-CD1 3.94Å; T644-I864 HydrophobicContact CG2-CG1 4.39Å; T644-I864 HydrophobicContact CG2-CG2 4.32Å; Q861-I864 HydrophobicContact CB-CD1 4.39Å; Q861-I864 WeakPolarHBondContact O-CB 3.3Å; Q861-I864 PolarHBondContact O-N 3.01Å; I864-E866 VanDerWaalsContact C-N 3.28Å; I864-E866 PolarHBondContact O-N 2.86Å; I864-V867 PolarHBondContact O-N 3.4Å; I864-Q868 HydrophobicContact CG2-CG 4.41Å; I864-Q868 WeakPolarHBondContact O-CG 3.42Å; I864-Q868 PolarHBondContact O-N 2.89Å |
| 865 | P | 79.4 | Confident | 82.9 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -32.5 | -179.5 | -22.9 | 34.9 | 0 | 0 | 0 | 113.6 | R869 | P865-R869 PolarHBondContact O-N 3.46Å |
| 866 | E | 86.2 | Confident | 83.1 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71 | -50.2 | 174.8 | -178.6 | 174.7 | -163 | 0 | 0 | 110.3 | M863 I864 Q868 R869 L870 | M863-E866 WeakPolarHBondContact O-CB 3.49Å; M863-E866 PolarHBondContact O-N 3.16Å; M863-E866 VanDerWaalsContact O-N 3.14Å; I864-E866 VanDerWaalsContact C-N 3.28Å; I864-E866 PolarHBondContact O-N 2.86Å; E866-Q868 VanDerWaalsContact C-N 3.27Å; E866-Q868 PolarHBondContact O-N 3.1Å; E866-R869 WeakPolarHBondContact O-CB 3.43Å; E866-R869 PolarHBondContact O-N 3.39Å; E866-L870 HydrophobicContact CG-CD1 4.06Å; E866-L870 HydrophobicContact CG-CG 4.34Å; E866-L870 WeakPolarHBondContact O-CG 3.39Å; E866-L870 PolarHBondContact O-N 2.69Å |
| 867 | V | 88 | Confident | 83.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -50.9 | -45.5 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L432 L435 L436 N439 M863 I864 R869 L870 A871 | L432-V867 HydrophobicContact CD1-CG2 3.71Å; L435-V867 HydrophobicContact CB-CB 4.46Å; L435-V867 HydrophobicContact CB-CG1 3.85Å; L435-V867 HydrophobicContact CB-CG2 3.89Å; L435-V867 HydrophobicContact CD1-CG2 4.24Å; L435-V867 WeakPolarHBondContact O-CG1 3.46Å; L436-V867 HydrophobicContact CD2-CG1 3.99Å; L436-V867 WeakPolarHBondContact CD2-O 3.41Å; L436-V867 HydrophobicContact CG-CG1 4.2Å; N439-V867 HydrophobicContact CB-CG1 4.26Å; N439-V867 WeakPolarHBondContact ND2-CG1 3.29Å; M863-V867 WeakPolarHBondContact O-CG2 3.47Å; M863-V867 PolarHBondContact O-N 3.29Å; I864-V867 PolarHBondContact O-N 3.4Å; V867-R869 VanDerWaalsContact C-N 3.32Å; V867-R869 PolarHBondContact O-N 3.44Å; V867-L870 PolarHBondContact O-N 2.89Å; V867-A871 VanDerWaalsContact O-CB 3.26Å; V867-A871 WeakPolarHBondContact O-CB 3.44Å; V867-A871 PolarHBondContact O-N 3.13Å |
| 868 | Q | 82.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 179.9 | -76.4 | -177.7 | -18.4 | 0 | 0 | 113.9 | N439 M643 I864 E866 R872 | N439-Q868 WeakPolarHBondContact OD1-CG 3.45Å; M643-Q868 VanDerWaalsContact CE-CD 3.46Å; I864-Q868 HydrophobicContact CG2-CG 4.41Å; I864-Q868 WeakPolarHBondContact O-CG 3.42Å; I864-Q868 PolarHBondContact O-N 2.89Å; E866-Q868 VanDerWaalsContact C-N 3.27Å; E866-Q868 PolarHBondContact O-N 3.1Å; Q868-R872 WeakPolarHBondContact O-CG 3.42Å; Q868-R872 PolarHBondContact O-N 2.87Å; Q868-R872 PolarHBondContact O-NE 3.26Å |
| 869 | R | 85.5 | Confident | 85.3 | Confident | 161 Ų | 161 | 66.8 Ų | 66.8 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.1 | -44.5 | 175.6 | -165.6 | -169.3 | -47.4 | 151.3 | 10.1 | 110.1 | P865 E866 V867 H873 | P865-R869 PolarHBondContact O-N 3.46Å; E866-R869 WeakPolarHBondContact O-CB 3.43Å; E866-R869 PolarHBondContact O-N 3.39Å; V867-R869 VanDerWaalsContact C-N 3.32Å; V867-R869 PolarHBondContact O-N 3.44Å; R869-H873 PolarHBondContact O-N 2.65Å; R869-H873 VanDerWaalsContact O-N 3.16Å |
| 870 | L | 89.3 | Confident | 85.7 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.5 | -44 | 178.8 | -67 | -174.6 | 0 | 0 | 0 | 112.1 | L393 L432 L436 E866 V867 R872 H873 I874 | L393-L870 HydrophobicContact CD1-CB 4.37Å; L393-L870 HydrophobicContact CD1-CD1 4.35Å; L393-L870 HydrophobicContact CD1-CD2 4.01Å; L393-L870 HydrophobicContact CD1-CG 4.47Å; L393-L870 HydrophobicContact CD2-CD1 4.24Å; L393-L870 HydrophobicContact CD2-CD2 3.32Å; L393-L870 HydrophobicContact CD2-CG 4.35Å; L393-L870 HydrophobicContact CG-CD2 4.33Å; L432-L870 HydrophobicContact CD1-CD1 4.38Å; L436-L870 HydrophobicContact CD2-CB 3.63Å; E866-L870 HydrophobicContact CG-CD1 4.06Å; E866-L870 HydrophobicContact CG-CG 4.34Å; E866-L870 WeakPolarHBondContact O-CG 3.39Å; E866-L870 PolarHBondContact O-N 2.69Å; V867-L870 PolarHBondContact O-N 2.89Å; L870-R872 VanDerWaalsContact C-N 3.35Å; L870-R872 PolarHBondContact O-N 2.9Å; L870-H873 WeakPolarHBondContact O-CB 3.38Å; L870-H873 PolarHBondContact O-N 2.94Å; L870-H873 VanDerWaalsContact O-N 3.13Å; L870-I874 WeakPolarHBondContact O-CG1 3.37Å; L870-I874 PolarHBondContact O-N 3.27Å |
| 871 | A | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L436 N439 L440 L443 V867 H873 I874 H875 | L436-A871 HydrophobicContact CD2-CB 4.1Å; N439-A871 HydrophobicContact CB-CB 3.65Å; L440-A871 HydrophobicContact CD2-CB 4.18Å; L440-A871 WeakPolarHBondContact CD2-O 3.35Å; L440-A871 HydrophobicContact CG-CB 4.17Å; L443-A871 HydrophobicContact CD1-CB 3.99Å; V867-A871 VanDerWaalsContact O-CB 3.26Å; V867-A871 WeakPolarHBondContact O-CB 3.44Å; V867-A871 PolarHBondContact O-N 3.13Å; A871-H873 PolarHBondContact O-N 3.49Å; A871-I874 PolarHBondContact O-N 3.49Å; A871-H875 WeakPolarHBondContact O-CB 3.45Å; A871-H875 PolarHBondContact O-N 2.87Å |
| 872 | R | 86.5 | Confident | 86.7 | Confident | 139 Ų | 139 | 69 Ų | 69 | 53% | 0.525 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 173.8 | -76.7 | -176.5 | -72 | 167.3 | -3.7 | 112.1 | L443 Q868 L870 H875 E876 | L443-R872 HydrophobicContact CD1-CG 3.98Å; L443-R872 HydrophobicContact CD2-CG 4.33Å; Q868-R872 WeakPolarHBondContact O-CG 3.42Å; Q868-R872 PolarHBondContact O-N 2.87Å; Q868-R872 PolarHBondContact O-NE 3.26Å; L870-R872 VanDerWaalsContact C-N 3.35Å; L870-R872 PolarHBondContact O-N 2.9Å; R872-H875 PolarHBondContact O-N 2.88Å; R872-E876 WeakPolarHBondContact O-CB 3.4Å; R872-E876 WeakPolarHBondContact O-CG 3.22Å; R872-E876 PolarHBondContact O-N 3.47Å |
| 873 | H | 89.3 | Confident | 86.9 | Confident | 59 Ų | 59 | 70.3 Ų | 70.3 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 177.7 | -174 | 85.3 | 0 | 0 | 0 | 112.7 | R869 L870 A871 E876 R877 | R869-H873 PolarHBondContact O-N 2.65Å; R869-H873 VanDerWaalsContact O-N 3.16Å; L870-H873 WeakPolarHBondContact O-CB 3.38Å; L870-H873 PolarHBondContact O-N 2.94Å; L870-H873 VanDerWaalsContact O-N 3.13Å; A871-H873 PolarHBondContact O-N 3.49Å; H873-E876 PolarHBondContact O-N 2.92Å; H873-R877 PolarHBondContact CE1-NH1 3.48Å; H873-R877 WeakPolarHBondContact O-CB 3.44Å; H873-R877 PolarHBondContact O-N 3.28Å |
| 874 | I | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.2 | -65.6 | 171.2 | 0 | 0 | 0 | 110.4 | P390 L393 L436 L440 L870 A871 E876 Y878 A882 L885 | P390-I874 HydrophobicContact CG-CG1 4.03Å; L393-I874 HydrophobicContact CD1-CD1 3.75Å; L393-I874 HydrophobicContact CD1-CG1 4.03Å; L436-I874 HydrophobicContact CD1-CD1 4.27Å; L436-I874 HydrophobicContact CD2-CD1 4.23Å; L440-I874 HydrophobicContact CD1-CG2 4.01Å; L440-I874 HydrophobicContact CD2-CB 4.1Å; L440-I874 HydrophobicContact CD2-CG2 4.01Å; L870-I874 WeakPolarHBondContact O-CG1 3.37Å; L870-I874 PolarHBondContact O-N 3.27Å; A871-I874 PolarHBondContact O-N 3.49Å; I874-E876 VanDerWaalsContact C-N 3.32Å; I874-E876 PolarHBondContact O-N 2.8Å; I874-Y878 CarbonylContact O-C 3.6Å; I874-Y878 VanDerWaalsContact O-CA 3.25Å; I874-Y878 WeakPolarHBondContact O-CA 3.31Å; I874-Y878 WeakPolarHBondContact O-CB 3.38Å; I874-Y878 PolarHBondContact O-N 3.32Å; I874-A882 HydrophobicContact CG2-CB 4.08Å; I874-L885 HydrophobicContact CD1-CD1 4.4Å; I874-L885 HydrophobicContact CG2-CD1 4.41Å |
| 875 | H | 87 | Confident | 87.4 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 178.6 | -175 | 73.8 | 0 | 0 | 0 | 112.4 | L440 L443 A871 R872 | L440-H875 HydrophobicContact CD2-CB 3.92Å; L443-H875 HydrophobicContact CD1-CB 4.04Å; A871-H875 WeakPolarHBondContact O-CB 3.45Å; A871-H875 PolarHBondContact O-N 2.87Å; R872-H875 PolarHBondContact O-N 2.88Å |
| 876 | E | 86.4 | Confident | 87.7 | Confident | 150 Ų | 150 | 68 Ų | 68 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -78.3 | -38.7 | -178.1 | -71 | 170.6 | -171 | 0 | 0 | 113.5 | R872 H873 I874 | R872-E876 WeakPolarHBondContact O-CB 3.4Å; R872-E876 WeakPolarHBondContact O-CG 3.22Å; R872-E876 PolarHBondContact O-N 3.47Å; H873-E876 PolarHBondContact O-N 2.92Å; I874-E876 VanDerWaalsContact C-N 3.32Å; I874-E876 PolarHBondContact O-N 2.8Å |
| 877 | R | 90.1 | Very high | 87.6 | Confident | 169 Ų | 169 | 68.1 Ų | 68.1 | 64% | 0.638 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -104 | -24.4 | -172.2 | -64.7 | -166.1 | 179.7 | -179.6 | -2.9 | 115 | H873 P879 | H873-R877 PolarHBondContact CE1-NH1 3.48Å; H873-R877 WeakPolarHBondContact O-CB 3.44Å; H873-R877 PolarHBondContact O-N 3.28Å; R877-P879 VanDerWaalsContact C-CD 3.48Å |
| 878 | Y | 90.8 | Very high | 87.5 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | trans | -133.4 | 57.9 | -170.1 | -60.5 | -71.5 | 0 | 0 | 0 | 111.5 | P390 E392 I874 Q880 Q881 A882 | P390-Y878 HydrophobicContact CB-CD2 4.06Å; P390-Y878 HydrophobicContact CB-CE2 3.73Å; P390-Y878 HydrophobicContact CG-CD1 4.48Å; P390-Y878 HydrophobicContact CG-CD2 3.52Å; P390-Y878 HydrophobicContact CG-CE2 3.74Å; P390-Y878 HydrophobicContact CG-CG 3.92Å; E392-Y878 PolarHBondContact OE1-OH 2.89Å; E392-Y878 PolarHBondContact OE2-OH 2.84Å; I874-Y878 CarbonylContact O-C 3.6Å; I874-Y878 VanDerWaalsContact O-CA 3.25Å; I874-Y878 WeakPolarHBondContact O-CA 3.31Å; I874-Y878 WeakPolarHBondContact O-CB 3.38Å; I874-Y878 PolarHBondContact O-N 3.32Å; Y878-Q880 VanDerWaalsContact C-N 3.29Å; Y878-Q880 PolarHBondContact O-N 2.93Å; Y878-Q881 PolarHBondContact O-N 3Å; Y878-Q881 PolarHBondContact O-OE1 3.1Å; Y878-A882 PolarHBondContact O-N 3.12Å | ||
| 879 | P | 87 | Confident | 87.6 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -28.3 | -172 | 25.7 | -35.4 | 0 | 0 | 0 | 113.9 | R877 A882 K883 | R877-P879 VanDerWaalsContact C-CD 3.48Å; P879-A882 WeakPolarHBondContact O-CB 3.45Å; P879-K883 PolarHBondContact O-N 3.18Å; P879-K883 VanDerWaalsContact O-N 3.15Å |
| 880 | Q | 87.2 | Confident | 87.1 | Confident | 160 Ų | 160 | 60.9 Ų | 60.9 | 75% | 0.748 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -70.8 | -44.8 | 176.4 | -69.4 | 180 | -9.3 | 0 | 0 | 111.2 | Y878 A882 K883 A884 | Y878-Q880 VanDerWaalsContact C-N 3.29Å; Y878-Q880 PolarHBondContact O-N 2.93Å; Q880-A882 VanDerWaalsContact C-N 3.29Å; Q880-A882 PolarHBondContact O-N 2.83Å; Q880-K883 PolarHBondContact O-N 3.25Å; Q880-A884 PolarHBondContact O-N 2.92Å |
| 881 | Q | 89.5 | Confident | 85.9 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 27% | 0.271 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.3 | -66 | 77.9 | -0.3 | 0 | 0 | 110.9 | Y878 K883 A884 L885 | Y878-Q881 PolarHBondContact O-N 3Å; Y878-Q881 PolarHBondContact O-OE1 3.1Å; Q881-K883 VanDerWaalsContact C-N 3.32Å; Q881-K883 PolarHBondContact O-N 3.13Å; Q881-A884 PolarHBondContact O-N 3.12Å; Q881-L885 WeakPolarHBondContact O-CB 3.28Å; Q881-L885 VanDerWaalsContact O-CG 3.31Å; Q881-L885 WeakPolarHBondContact O-CG 3.43Å; Q881-L885 PolarHBondContact O-N 3.35Å |
| 882 | A | 88.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L440 I874 Y878 P879 Q880 L885 I886 | L440-A882 HydrophobicContact CD1-CB 4.3Å; L440-A882 HydrophobicContact CD2-CB 3.95Å; I874-A882 HydrophobicContact CG2-CB 4.08Å; Y878-A882 PolarHBondContact O-N 3.12Å; P879-A882 WeakPolarHBondContact O-CB 3.45Å; Q880-A882 VanDerWaalsContact C-N 3.29Å; Q880-A882 PolarHBondContact O-N 2.83Å; A882-L885 PolarHBondContact O-N 2.86Å; A882-I886 WeakPolarHBondContact O-CD1 3.38Å; A882-I886 VanDerWaalsContact O-CG1 3.25Å; A882-I886 WeakPolarHBondContact O-CG1 3.49Å; A882-I886 PolarHBondContact O-N 3.08Å; A882-I886 VanDerWaalsContact O-N 3.11Å |
| 883 | K | 86.9 | Confident | 83 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 177.4 | -163.6 | -171 | -175.7 | -129.4 | 0 | 111.8 | P879 Q880 Q881 L885 I886 E887 | P879-K883 PolarHBondContact O-N 3.18Å; P879-K883 VanDerWaalsContact O-N 3.15Å; Q880-K883 PolarHBondContact O-N 3.25Å; Q881-K883 VanDerWaalsContact C-N 3.32Å; Q881-K883 PolarHBondContact O-N 3.13Å; K883-L885 VanDerWaalsContact C-N 3.34Å; K883-L885 PolarHBondContact O-N 3.17Å; K883-I886 PolarHBondContact O-N 3.19Å; K883-E887 WeakPolarHBondContact CE-OE1 3.46Å; K883-E887 IonicContact NZ-OE1 2.75Å; K883-E887 PolarHBondContact NZ-OE1 3.46Å; K883-E887 WeakPolarHBondContact O-CG 3.44Å; K883-E887 PolarHBondContact O-N 2.77Å |
| 884 | A | 87.8 | Confident | 80.7 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L388 Q880 Q881 E887 R888 | L388-A884 HydrophobicContact CD1-CB 3.78Å; L388-A884 HydrophobicContact CD2-CB 3.72Å; L388-A884 HydrophobicContact CG-CB 4.37Å; Q880-A884 PolarHBondContact O-N 2.92Å; Q881-A884 PolarHBondContact O-N 3.12Å; A884-E887 PolarHBondContact O-N 2.72Å; A884-R888 WeakPolarHBondContact O-CB 3.42Å; A884-R888 PolarHBondContact O-N 3.32Å |
| 885 | L | 89.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.5 | -76.9 | 167.8 | 0 | 0 | 0 | 111.4 | L388 L389 E433 A437 L440 I874 Q881 A882 K883 R888 W889 | L388-L885 HydrophobicContact CB-CD2 3.67Å; L388-L885 HydrophobicContact CB-CG 3.9Å; L388-L885 HydrophobicContact CD1-CD2 4.13Å; L388-L885 HydrophobicContact CD1-CG 4.3Å; L389-L885 HydrophobicContact CD2-CD1 4.28Å; L389-L885 HydrophobicContact CD2-CD2 4.31Å; E433-L885 HydrophobicContact CG-CD2 3.49Å; E433-L885 VanDerWaalsContact CG-CD2 3.49Å; A437-L885 HydrophobicContact CB-CB 4.43Å; A437-L885 WeakPolarHBondContact CB-O 3.35Å; L440-L885 HydrophobicContact CD1-CB 4.13Å; L440-L885 HydrophobicContact CD1-CD1 3.71Å; I874-L885 HydrophobicContact CD1-CD1 4.4Å; I874-L885 HydrophobicContact CG2-CD1 4.41Å; Q881-L885 WeakPolarHBondContact O-CB 3.28Å; Q881-L885 VanDerWaalsContact O-CG 3.31Å; Q881-L885 WeakPolarHBondContact O-CG 3.43Å; Q881-L885 PolarHBondContact O-N 3.35Å; A882-L885 PolarHBondContact O-N 2.86Å; K883-L885 VanDerWaalsContact C-N 3.34Å; K883-L885 PolarHBondContact O-N 3.17Å; L885-R888 PolarHBondContact O-N 2.81Å; L885-W889 PolarHBondContact O-N 3.24Å |
| 886 | I | 85.1 | Confident | 75.9 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 175 | -64.2 | 161.7 | 0 | 0 | 0 | 110.1 | L440 A444 A882 K883 R888 W889 M890 T893 | L440-I886 HydrophobicContact CB-CD1 4.04Å; L440-I886 HydrophobicContact CB-CG1 3.97Å; A444-I886 HydrophobicContact CB-CD1 4.42Å; A882-I886 WeakPolarHBondContact O-CD1 3.38Å; A882-I886 VanDerWaalsContact O-CG1 3.25Å; A882-I886 WeakPolarHBondContact O-CG1 3.49Å; A882-I886 PolarHBondContact O-N 3.08Å; A882-I886 VanDerWaalsContact O-N 3.11Å; K883-I886 PolarHBondContact O-N 3.19Å; I886-R888 VanDerWaalsContact C-N 3.3Å; I886-R888 PolarHBondContact O-N 2.74Å; I886-W889 PolarHBondContact O-N 2.91Å; I886-M890 CarbonylContact O-C 3.57Å; I886-M890 VanDerWaalsContact O-C 3.3Å; I886-M890 VanDerWaalsContact O-CA 3.29Å; I886-M890 WeakPolarHBondContact O-CA 3.33Å; I886-M890 WeakPolarHBondContact O-CB 3.35Å; I886-M890 PolarHBondContact O-N 3.05Å; I886-T893 WeakPolarHBondContact CG2-OG1 3.47Å |
| 887 | E | 84.2 | Confident | 73.6 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -37 | 179.2 | -73.8 | 174.2 | -174.6 | 0 | 0 | 112.2 | K883 A884 | K883-E887 WeakPolarHBondContact CE-OE1 3.46Å; K883-E887 IonicContact NZ-OE1 2.75Å; K883-E887 PolarHBondContact NZ-OE1 3.46Å; K883-E887 WeakPolarHBondContact O-CG 3.44Å; K883-E887 PolarHBondContact O-N 2.77Å; A884-E887 PolarHBondContact O-N 2.72Å |
| 888 | R | 86.2 | Confident | 70.7 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 179.5 | 175.5 | 179.9 | -74.4 | 174 | -2 | 113.4 | Q240 L244 E386 L388 E433 A884 L885 I886 | Q240-R888 PolarHBondContact NE2-O 2.89Å; L244-R888 HydrophobicContact CD1-CG 4.37Å; E386-R888 PolarHBondContact O-NH2 2.82Å; L388-R888 HydrophobicContact CD1-CB 4.41Å; E433-R888 WeakPolarHBondContact OE1-CD 3.23Å; E433-R888 IonicContact OE1-CZ 2.8Å; E433-R888 IonicContact OE1-NE 3.79Å; E433-R888 IonicContact OE1-NH1 3.64Å; E433-R888 PolarHBondContact OE1-NH1 3.25Å; E433-R888 IonicContact OE2-NH1 3.8Å; A884-R888 WeakPolarHBondContact O-CB 3.42Å; A884-R888 PolarHBondContact O-N 3.32Å; L885-R888 PolarHBondContact O-N 2.81Å; I886-R888 VanDerWaalsContact C-N 3.3Å; I886-R888 PolarHBondContact O-N 2.74Å |
| 889 | W | 84.3 | Confident | 67.8 | Low | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.038 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -98 | -28.8 | -173 | -73.4 | 92.4 | 0 | 0 | 0 | 113.3 | L244 L430 E433 E434 A437 K853 V854 L885 I886 | L244-W889 HydrophobicContact CD2-CH2 3.99Å; L244-W889 HydrophobicContact CD2-CZ2 4.19Å; L244-W889 HydrophobicContact CD2-CZ3 4.42Å; L430-W889 HydrophobicContact CB-CH2 4.07Å; L430-W889 HydrophobicContact CB-CZ2 4.42Å; L430-W889 HydrophobicContact CD2-CH2 4.23Å; L430-W889 HydrophobicContact CD2-CZ2 4.08Å; E433-W889 HydrophobicContact CB-CZ2 4.09Å; E433-W889 VanDerWaalsContact CG-NE1 3.35Å; E433-W889 PolarHBondContact OE1-NE1 3.3Å; E434-W889 HydrophobicContact CB-CD2 3.86Å; E434-W889 HydrophobicContact CB-CE3 3.55Å; E434-W889 HydrophobicContact CB-CH2 3.94Å; E434-W889 HydrophobicContact CB-CZ2 4.22Å; E434-W889 HydrophobicContact CB-CZ3 3.6Å; E434-W889 HydrophobicContact CG-CD2 4.11Å; E434-W889 HydrophobicContact CG-CE3 3.48Å; E434-W889 VanDerWaalsContact CG-CE3 3.48Å; E434-W889 HydrophobicContact CG-CZ3 3.78Å; A437-W889 HydrophobicContact CB-CB 3.61Å; A437-W889 HydrophobicContact CB-CG 3.86Å; K853-W889 HydrophobicContact CB-CZ3 4.34Å; K853-W889 HydrophobicContact CD-CE3 4.43Å; K853-W889 HydrophobicContact CD-CZ3 4.37Å; V854-W889 HydrophobicContact CG2-CH2 3.88Å; V854-W889 HydrophobicContact CG2-CZ3 3.89Å; L885-W889 PolarHBondContact O-N 3.24Å; I886-W889 PolarHBondContact O-N 2.91Å |
| 890 | M | 75.8 | Confident | 66.8 | Low | 22 Ų | 22 | 70.3 Ų | 70.3 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | trans | -137.9 | 58.3 | -171.8 | -55.4 | 177.9 | 82.7 | 0 | 0 | 112.5 | H438 A850 I886 E892 T893 | H438-M890 HydrophobicContact CB-SD 4.23Å; H438-M890 WeakPolarHBondContact ND1-CE 3.5Å; A850-M890 HydrophobicContact CB-CE 3.77Å; I886-M890 CarbonylContact O-C 3.57Å; I886-M890 VanDerWaalsContact O-C 3.3Å; I886-M890 VanDerWaalsContact O-CA 3.29Å; I886-M890 WeakPolarHBondContact O-CA 3.33Å; I886-M890 WeakPolarHBondContact O-CB 3.35Å; I886-M890 PolarHBondContact O-N 3.05Å; M890-E892 PolarHBondContact O-N 3.36Å; M890-T893 HydrophobicContact CB-CG2 3.83Å; M890-T893 HydrophobicContact CE-CG2 3.45Å; M890-T893 VanDerWaalsContact CE-CG2 3.45Å; M890-T893 PolarHBondContact O-N 3.2Å; M890-T893 VanDerWaalsContact O-N 3.13Å; M890-T893 PolarHBondContact O-OG1 3.36Å; M890-T893 HydrophobicContact SD-CG2 4.13Å | ||
| 891 | P | 64.5 | Low | 65.8 | Low | 86 Ų | 86 | 65.6 Ų | 65.6 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.6 | -174.7 | 24.1 | -34.1 | 0 | 0 | 0 | 114.3 | ||
| 892 | E | 59.9 | Low | 64.4 | Low | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.2 | -178.6 | -59.4 | -165.7 | 159 | 0 | 0 | 114.7 | M890 E894 R895 Y896 | M890-E892 PolarHBondContact O-N 3.36Å; E892-E894 VanDerWaalsContact C-N 3.26Å; E892-E894 PolarHBondContact O-N 2.87Å; E892-E894 VanDerWaalsContact O-N 3.14Å; E892-R895 PolarHBondContact O-N 3.16Å; E892-R895 VanDerWaalsContact O-N 3.11Å; E892-Y896 HydrophobicContact CB-CE2 4.32Å |
| 893 | T | 52 | Low | 63 | Low | 27 Ų | 27 | 69.6 Ų | 69.6 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -23.1 | -171.1 | 29.6 | 0 | 0 | 0 | 0 | 115.3 | I886 M890 R895 Y896 S897 | I886-T893 WeakPolarHBondContact CG2-OG1 3.47Å; M890-T893 HydrophobicContact CB-CG2 3.83Å; M890-T893 HydrophobicContact CE-CG2 3.45Å; M890-T893 VanDerWaalsContact CE-CG2 3.45Å; M890-T893 PolarHBondContact O-N 3.2Å; M890-T893 VanDerWaalsContact O-N 3.13Å; M890-T893 PolarHBondContact O-OG1 3.36Å; M890-T893 HydrophobicContact SD-CG2 4.13Å; T893-R895 PolarHBondContact O-N 2.98Å; T893-R895 VanDerWaalsContact O-N 3.16Å; T893-Y896 PolarHBondContact O-N 2.81Å; T893-S897 PolarHBondContact O-N 3.27Å |
| 894 | E | 41 | Very low | 61.5 | Low | 153 Ų | 153 | 66.7 Ų | 66.7 | 72% | 0.715 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.1 | -30 | 175.2 | -75.1 | -166.9 | 164.2 | 0 | 0 | 112.5 | E892 Y896 S897 | E892-E894 VanDerWaalsContact C-N 3.26Å; E892-E894 PolarHBondContact O-N 2.87Å; E892-E894 VanDerWaalsContact O-N 3.14Å; E894-Y896 VanDerWaalsContact C-N 3.34Å; E894-Y896 PolarHBondContact O-N 2.91Å; E894-S897 PolarHBondContact O-OG 3.03Å |
| 895 | R | 37.5 | Very low | 59.8 | Low | 203 Ų | 203 | 69.3 Ų | 69.3 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.1 | -28.3 | 175.8 | -73.1 | -175.9 | 178.1 | 171.6 | 1.8 | 113.5 | E892 T893 | E892-R895 PolarHBondContact O-N 3.16Å; E892-R895 VanDerWaalsContact O-N 3.11Å; T893-R895 PolarHBondContact O-N 2.98Å; T893-R895 VanDerWaalsContact O-N 3.16Å |
| 896 | Y | 39.2 | Very low | 57.7 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -91.7 | -18.3 | -178.1 | -60.9 | -75.2 | 0 | 0 | 0 | 112.6 | T847 G848 E892 T893 E894 N898 A899 | T847-Y896 VanDerWaalsContact O-CE1 3.29Å; T847-Y896 WeakPolarHBondContact O-CE1 3.38Å; G848-Y896 VanDerWaalsContact C-OH 3.3Å; G848-Y896 WeakPolarHBondContact CA-OH 3.48Å; G848-Y896 PolarHBondContact O-OH 3.23Å; E892-Y896 HydrophobicContact CB-CE2 4.32Å; T893-Y896 PolarHBondContact O-N 2.81Å; E894-Y896 VanDerWaalsContact C-N 3.34Å; E894-Y896 PolarHBondContact O-N 2.91Å; Y896-N898 PolarHBondContact O-N 2.77Å; Y896-N898 VanDerWaalsContact O-N 3.17Å; Y896-A899 WeakPolarHBondContact O-CB 3.41Å; Y896-A899 PolarHBondContact O-N 3.39Å |
| 897 | S | 38.4 | Very low | 55.6 | Low | 52 Ų | 52 | 78.2 Ų | 78.2 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.7 | -179.1 | 68 | 0 | 0 | 0 | 0 | 115.2 | L445 T893 E894 | L445-S897 VanDerWaalsContact CD2-CA 3.4Å; T893-S897 PolarHBondContact O-N 3.27Å; E894-S897 PolarHBondContact O-OG 3.03Å |
| 898 | N | 30 | Very low | 53.2 | Low | 127 Ų | 127 | 76.7 Ų | 76.7 | 68% | 0.679 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 17.5 | 176 | -66.1 | -38 | 0 | 0 | 0 | 112.6 | L614 Y896 | L614-N898 WeakPolarHBondContact CD1-O 3.39Å; L614-N898 WeakPolarHBondContact CD2-O 3.44Å; Y896-N898 PolarHBondContact O-N 2.77Å; Y896-N898 VanDerWaalsContact O-N 3.17Å |
| 899 | A | 29.7 | Very low | 50.2 | Low | 56 Ų | 56 | 81.5 Ų | 81.5 | 46% | 0.463 | 41% | 0.414 | S | S | . | . | trans | -120.5 | 0 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V610 L614 Y896 | V610-A899 HydrophobicContact CG1-CB 3.37Å; V610-A899 WeakPolarHBondContact CG1-O 3.33Å; L614-A899 WeakPolarHBondContact CD2-O 3.39Å; L614-A899 WeakPolarHBondContact CG-O 3.46Å; Y896-A899 WeakPolarHBondContact O-CB 3.41Å; Y896-A899 PolarHBondContact O-N 3.39Å |
Retrieved 899 of 899 residues in 320.7 ms
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