| 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 | 36.4 | Very low | 79.3 | Confident | 224 Ų | 224 | 78.5 Ų | 78.5 | 100% | 1.103 | 41% | 0.407 | S | S | * | . | 0 | 119.2 | 0 | -78.6 | 165.2 | 108.3 | 0 | 0 | 107.1 | |||||
| 2 | G | 42.1 | Very low | 80.8 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 75% | 0.753 | 38% | 0.384 | S | S | * | . | trans | -71.9 | 141.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F4 | G2-F4 PolarHBondContact O-N 3.03Š| ||
| 3 | E | 55.3 | Low | 82.1 | Confident | 180 Ų | 180 | 68.8 Ų | 68.8 | 84% | 0.841 | 36% | 0.356 | S | S | * | . | trans | -59.7 | 127.4 | 179.4 | -158.2 | 167.9 | -168.9 | 0 | 0 | 110.3 | E5 | E3-E5 VanDerWaalsContact C-N 3.28Å; E3-E5 PolarHBondContact O-N 3.34Å | ||
| 4 | F | 77.6 | Confident | 83.2 | Confident | 26 Ų | 26 | 64 Ų | 64 | 11% | 0.114 | 33% | 0.331 | C | S | . | . | trans | -76.8 | 82.2 | 177.8 | -178.6 | -102.1 | 0 | 0 | 0 | 109.5 | G2 V38 Y39 Y74 | G2-F4 PolarHBondContact O-N 3.03Å; F4-V38 HydrophobicContact CE2-CB 4.43Å; F4-V38 HydrophobicContact CE2-CG1 3.92Å; F4-V38 HydrophobicContact CZ-CB 4.02Å; F4-V38 HydrophobicContact CZ-CG1 3.65Å; F4-Y39 AromaticContact CD1-CD2 3.96Å; F4-Y39 HydrophobicContact CD1-CD2 3.96Å; F4-Y39 AromaticContact CE1-CD2 3.5Å; F4-Y39 HydrophobicContact CE1-CD2 3.5Å; F4-Y39 VanDerWaalsContact CE1-CD2 3.5Å; F4-Y39 AromaticContact CE1-CG 4Å; F4-Y39 HydrophobicContact CE1-CG 4Å; F4-Y74 HydrophobicContact CB-CD1 4.26Å; F4-Y74 AromaticContact CD2-CD1 3.28Å; F4-Y74 HydrophobicContact CD2-CD1 3.28Å; F4-Y74 AromaticContact CD2-CD2 3.75Å; F4-Y74 HydrophobicContact CD2-CD2 3.75Å; F4-Y74 AromaticContact CD2-CE1 3.71Å; F4-Y74 HydrophobicContact CD2-CE1 3.71Å; F4-Y74 HydrophobicContact CD2-CE2 4.23Å; F4-Y74 AromaticContact CD2-CG 3.33Å; F4-Y74 HydrophobicContact CD2-CG 3.33Å; F4-Y74 AromaticContact CE2-CD1 3.92Å; F4-Y74 HydrophobicContact CE2-CD1 3.92Å; F4-Y74 AromaticContact CE2-CD2 3.49Å; F4-Y74 HydrophobicContact CE2-CD2 3.49Å; F4-Y74 VanDerWaalsContact CE2-CD2 3.49Å; F4-Y74 HydrophobicContact CE2-CE1 4.42Å; F4-Y74 HydrophobicContact CE2-CE2 4.14Å; F4-Y74 AromaticContact CE2-CG 3.45Å; F4-Y74 HydrophobicContact CE2-CG 3.45Å; F4-Y74 VanDerWaalsContact CE2-CG 3.45Å; F4-Y74 HydrophobicContact CG-CD1 4.13Å; F4-Y74 HydrophobicContact CG-CG 4.36Å | ||
| 5 | E | 85.8 | Confident | 84.1 | Confident | 122 Ų | 122 | 66.7 Ų | 66.7 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | trans | -107.8 | 134 | -179.8 | -154.1 | -176.1 | 177.1 | 0 | 0 | 112.4 | E3 K11 | E3-E5 VanDerWaalsContact C-N 3.28Å; E3-E5 PolarHBondContact O-N 3.34Å; E5-K11 IonicContact OE1-NZ 3.74Å; E5-K11 PolarHBondContact OE1-NZ 2.92Å | ||
| 6 | L | 93.4 | Very high | 85 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | trans | -85.4 | 146.4 | 170.3 | -70.1 | -172.6 | 0 | 0 | 0 | 110.8 | Q10 K11 V14 R35 Y39 | L6-Q10 HydrophobicContact CB-CB 4.03Å; L6-Q10 HydrophobicContact CD1-CB 4.3Å; L6-Q10 HydrophobicContact CD2-CB 4.23Å; L6-Q10 HydrophobicContact CG-CB 4.43Å; L6-K11 HydrophobicContact CB-CG 3.71Å; L6-K11 HydrophobicContact CD1-CG 4.44Å; L6-K11 WeakPolarHBondContact O-CE 3.29Å; L6-K11 PolarHBondContact O-NZ 3.04Å; L6-V14 HydrophobicContact CD1-CG2 4.07Å; L6-R35 HydrophobicContact CD2-CG 3.82Å; L6-Y39 HydrophobicContact CD1-CD1 3.71Å; L6-Y39 HydrophobicContact CD1-CD2 3.73Å; L6-Y39 HydrophobicContact CD1-CE1 4.32Å; L6-Y39 HydrophobicContact CD1-CE2 4.35Å; L6-Y39 HydrophobicContact CD1-CG 3.41Å; L6-Y39 VanDerWaalsContact CD1-CG 3.41Å; L6-Y39 HydrophobicContact CD2-CG 4.46Å; L6-Y39 HydrophobicContact CG-CD2 3.75Å; L6-Y39 HydrophobicContact CG-CE2 4.46Å; L6-Y39 HydrophobicContact CG-CG 3.88Å | ||
| 7 | R | 94.9 | Very high | 85.7 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | trans | -64.7 | 159.8 | 167.3 | -65.6 | 178.2 | -172.3 | 147.3 | 0.7 | 111.1 | Y9 Q10 K11 E209 | R7-Y9 HydrophobicContact CB-CD1 3.93Å; R7-Y9 HydrophobicContact CB-CE1 3.67Å; R7-Y9 WeakPolarHBondContact CD-OH 3.49Å; R7-Y9 HydrophobicContact CG-CE1 4.18Å; R7-Y9 PolarHBondContact NH1-OH 2.91Å; R7-Y9 PolarHBondContact O-N 3.48Å; R7-Q10 HydrophobicContact CB-CB 4.45Å; R7-Q10 HydrophobicContact CB-CG 4.11Å; R7-Q10 WeakPolarHBondContact O-CA 3.43Å; R7-Q10 WeakPolarHBondContact O-CB 3.48Å; R7-Q10 PolarHBondContact O-N 3.49Å; R7-K11 PolarHBondContact O-N 3.47Å; R7-E209 WeakPolarHBondContact CB-OE1 3.23Å | ||
| 8 | S | 96.6 | Very high | 86.4 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | -173.6 | -30.3 | 0 | 0 | 0 | 0 | 111.8 | Q10 K11 E12 Y206 E209 | S8-Q10 PolarHBondContact O-N 3.17Å; S8-K11 WeakPolarHBondContact O-CB 3.38Å; S8-K11 PolarHBondContact O-N 3.17Å; S8-K11 VanDerWaalsContact O-N 3.17Å; S8-E12 PolarHBondContact O-N 3.08Å; S8-Y206 VanDerWaalsContact CB-CD1 3.48Å; S8-E209 WeakPolarHBondContact CB-OE2 3.45Å; S8-E209 PolarHBondContact N-OE1 3.08Å; S8-E209 PolarHBondContact N-OE2 3.13Å; S8-E209 PolarHBondContact OG-OE2 3.31Å |
| 9 | Y | 96.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -28.5 | 174.7 | 74 | -102.2 | 0 | 0 | 0 | 113 | R7 V13 L27 G31 E209 L210 | R7-Y9 HydrophobicContact CB-CD1 3.93Å; R7-Y9 HydrophobicContact CB-CE1 3.67Å; R7-Y9 WeakPolarHBondContact CD-OH 3.49Å; R7-Y9 HydrophobicContact CG-CE1 4.18Å; R7-Y9 PolarHBondContact NH1-OH 2.91Å; R7-Y9 PolarHBondContact O-N 3.48Å; Y9-V13 PolarHBondContact O-N 3.44Å; Y9-L27 HydrophobicContact CD2-CD1 4.29Å; Y9-L27 HydrophobicContact CD2-CD2 3.96Å; Y9-L27 HydrophobicContact CE2-CD1 4.06Å; Y9-L27 HydrophobicContact CE2-CD2 4.32Å; Y9-G31 VanDerWaalsContact CE2-O 3.25Å; Y9-G31 WeakPolarHBondContact CE2-O 3.47Å; Y9-G31 PolarHBondContact OH-O 2.77Å; Y9-E209 HydrophobicContact CD1-CG 4.22Å; Y9-L210 HydrophobicContact CD1-CB 4.16Å; Y9-L210 HydrophobicContact CD1-CD1 4.33Å; Y9-L210 HydrophobicContact CD2-CD1 3.96Å; Y9-L210 HydrophobicContact CE1-CD1 4.07Å; Y9-L210 HydrophobicContact CE2-CD1 3.7Å; Y9-L210 HydrophobicContact CG-CB 4.25Å; Y9-L210 HydrophobicContact CG-CD1 4.29Å |
| 10 | Q | 97.1 | Very high | 87.4 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.2 | -40.5 | 175.5 | -65.5 | 176.1 | -45.2 | 0 | 0 | 110.6 | L6 R7 S8 E12 V13 V14 G31 G32 | L6-Q10 HydrophobicContact CB-CB 4.03Å; L6-Q10 HydrophobicContact CD1-CB 4.3Å; L6-Q10 HydrophobicContact CD2-CB 4.23Å; L6-Q10 HydrophobicContact CG-CB 4.43Å; R7-Q10 HydrophobicContact CB-CB 4.45Å; R7-Q10 HydrophobicContact CB-CG 4.11Å; R7-Q10 WeakPolarHBondContact O-CA 3.43Å; R7-Q10 WeakPolarHBondContact O-CB 3.48Å; R7-Q10 PolarHBondContact O-N 3.49Å; S8-Q10 PolarHBondContact O-N 3.17Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-V13 WeakPolarHBondContact O-CG2 3.45Å; Q10-V13 PolarHBondContact O-N 3.26Å; Q10-V14 WeakPolarHBondContact O-CG1 3.45Å; Q10-V14 WeakPolarHBondContact O-CG2 3.36Å; Q10-V14 PolarHBondContact O-N 3.45Å; Q10-G31 PolarHBondContact NE2-O 3.46Å; Q10-G32 PolarHBondContact NE2-O 3.1Å |
| 11 | K | 96.5 | Very high | 87.9 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 173.5 | -69.6 | 173.4 | 176.6 | 160.8 | 0 | 110.1 | E5 L6 R7 S8 V13 V14 E15 | E5-K11 IonicContact OE1-NZ 3.74Å; E5-K11 PolarHBondContact OE1-NZ 2.92Å; L6-K11 HydrophobicContact CB-CG 3.71Å; L6-K11 HydrophobicContact CD1-CG 4.44Å; L6-K11 WeakPolarHBondContact O-CE 3.29Å; L6-K11 PolarHBondContact O-NZ 3.04Å; R7-K11 PolarHBondContact O-N 3.47Å; S8-K11 WeakPolarHBondContact O-CB 3.38Å; S8-K11 PolarHBondContact O-N 3.17Å; S8-K11 VanDerWaalsContact O-N 3.17Å; K11-V13 PolarHBondContact O-N 3.34Å; K11-V14 VanDerWaalsContact O-CG2 3.24Å; K11-V14 WeakPolarHBondContact O-CG2 3.48Å; K11-V14 PolarHBondContact O-N 3.05Å; K11-E15 VanDerWaalsContact O-CG 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.3Å |
| 12 | E | 97.3 | Very high | 90.8 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 178.7 | -177 | -178.5 | -168.2 | 0 | 0 | 112.7 | S8 Q10 V14 T203 K204 N205 Y206 | S8-E12 PolarHBondContact O-N 3.08Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; E12-V14 VanDerWaalsContact C-N 3.34Å; E12-V14 PolarHBondContact O-N 3.14Å; E12-T203 VanDerWaalsContact OE2-CA 3.29Å; E12-T203 WeakPolarHBondContact OE2-CA 3.49Å; E12-T203 WeakPolarHBondContact OE2-CB 2.97Å; E12-T203 PolarHBondContact OE2-OG1 3.43Å; E12-K204 PolarHBondContact OE1-N 3.2Å; E12-K204 PolarHBondContact OE2-N 3.01Å; E12-N205 PolarHBondContact OE1-N 3.18Å; E12-N205 VanDerWaalsContact OE1-N 3.09Å; E12-N205 PolarHBondContact OE1-ND2 3.46Å; E12-N205 PolarHBondContact OE2-N 2.66Å; E12-Y206 HydrophobicContact CB-CD2 4.1Å; E12-Y206 HydrophobicContact CB-CE2 4.31Å; E12-Y206 WeakPolarHBondContact OE2-CD2 3.35Å |
| 13 | V | 97.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.4 | -17.8 | -174.2 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | Y9 Q10 K11 I25 L27 V201 | Y9-V13 PolarHBondContact O-N 3.44Å; Q10-V13 WeakPolarHBondContact O-CG2 3.45Å; Q10-V13 PolarHBondContact O-N 3.26Å; K11-V13 PolarHBondContact O-N 3.34Å; V13-I25 HydrophobicContact CB-CG2 4.25Å; V13-I25 HydrophobicContact CG2-CD1 4.42Å; V13-I25 HydrophobicContact CG2-CG2 3.81Å; V13-L27 HydrophobicContact CG1-CD2 4.09Å; V13-L27 HydrophobicContact CG2-CD1 4.03Å; V13-L27 HydrophobicContact CG2-CD2 4.46Å; V13-L27 HydrophobicContact CG2-CG 4.37Å; V13-V201 HydrophobicContact CB-CG2 4.11Å; V13-V201 WeakPolarHBondContact O-CG2 3.06Å |
| 14 | V | 97.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -88.5 | -14.1 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | L6 Q10 K11 E12 R16 A17 L18 I25 A36 Y39 V40 | L6-V14 HydrophobicContact CD1-CG2 4.07Å; Q10-V14 WeakPolarHBondContact O-CG1 3.45Å; Q10-V14 WeakPolarHBondContact O-CG2 3.36Å; Q10-V14 PolarHBondContact O-N 3.45Å; K11-V14 VanDerWaalsContact O-CG2 3.24Å; K11-V14 WeakPolarHBondContact O-CG2 3.48Å; K11-V14 PolarHBondContact O-N 3.05Å; E12-V14 VanDerWaalsContact C-N 3.34Å; E12-V14 PolarHBondContact O-N 3.14Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.08Å; V14-R16 VanDerWaalsContact O-N 3.16Å; V14-A17 WeakPolarHBondContact O-CA 3.49Å; V14-A17 WeakPolarHBondContact O-CB 3.2Å; V14-A17 PolarHBondContact O-N 2.96Å; V14-L18 HydrophobicContact CB-CG 4.45Å; V14-L18 HydrophobicContact CG2-CD1 3.87Å; V14-L18 HydrophobicContact CG2-CG 4.33Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.78Å; V14-I25 HydrophobicContact CG1-CD1 3.91Å; V14-A36 HydrophobicContact CG1-CB 3.75Å; V14-Y39 HydrophobicContact CG2-CD1 4.3Å; V14-V40 HydrophobicContact CB-CG2 3.76Å; V14-V40 HydrophobicContact CG1-CG2 3.72Å |
| 15 | E | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.6 | -42.8 | -170.6 | -66.9 | -175.1 | 175.9 | 0 | 0 | 114 | K11 L18 K19 | K11-E15 VanDerWaalsContact O-CG 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.3Å; E15-L18 PolarHBondContact O-N 3Å; E15-K19 WeakPolarHBondContact O-CG 3.46Å; E15-K19 PolarHBondContact O-N 3.34Å |
| 16 | R | 97.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 42.4 Ų | 42.4 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.5 | -38.7 | 178.7 | -67.8 | -173.4 | 74.4 | 173.1 | 2.2 | 112 | V14 L18 K19 E21 V23 | V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.08Å; V14-R16 VanDerWaalsContact O-N 3.16Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.25Å; R16-K19 WeakPolarHBondContact O-CB 3.21Å; R16-K19 PolarHBondContact O-N 3.49Å; R16-K19 VanDerWaalsContact O-N 3.12Å; R16-E21 HydrophobicContact CB-CB 4.35Å; R16-E21 IonicContact CZ-OE2 3.06Å; R16-E21 VanDerWaalsContact CZ-OE2 3.24Å; R16-E21 IonicContact NE-OE1 3.48Å; R16-E21 PolarHBondContact NE-OE1 2.96Å; R16-E21 IonicContact NE-OE2 3.82Å; R16-E21 PolarHBondContact NE-OE2 3.29Å; R16-E21 IonicContact NH2-OE2 3.42Å; R16-E21 PolarHBondContact NH2-OE2 3.44Å; R16-E21 WeakPolarHBondContact O-CB 3.26Å; R16-E21 PolarHBondContact O-N 3.11Å; R16-E21 VanDerWaalsContact O-N 3.14Å; R16-V23 HydrophobicContact CB-CG2 3.68Å |
| 17 | A | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | V14 K19 G20 V23 V40 Q166 L168 | V14-A17 WeakPolarHBondContact O-CA 3.49Å; V14-A17 WeakPolarHBondContact O-CB 3.2Å; V14-A17 PolarHBondContact O-N 2.96Å; A17-K19 PolarHBondContact O-N 3.11Å; A17-G20 PolarHBondContact O-N 2.99Å; A17-V23 HydrophobicContact CB-CB 4.33Å; A17-V23 HydrophobicContact CB-CG2 4.28Å; A17-V40 HydrophobicContact CB-CG1 4.04Å; A17-V40 HydrophobicContact CB-CG2 4.01Å; A17-Q166 PolarHBondContact O-NE2 2.97Å; A17-L168 HydrophobicContact CB-CD1 4.1Å |
| 18 | L | 97.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 39.4 Ų | 39.4 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.1 | -21.3 | 175.1 | -63 | 174.5 | 0 | 0 | 0 | 113.7 | V14 E15 R16 G20 Y39 V40 R43 | V14-L18 HydrophobicContact CB-CG 4.45Å; V14-L18 HydrophobicContact CG2-CD1 3.87Å; V14-L18 HydrophobicContact CG2-CG 4.33Å; V14-L18 WeakPolarHBondContact O-CG 3.42Å; V14-L18 PolarHBondContact O-N 2.78Å; E15-L18 PolarHBondContact O-N 3Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.25Å; L18-G20 VanDerWaalsContact C-N 3.26Å; L18-Y39 HydrophobicContact CD1-CD1 4.42Å; L18-Y39 HydrophobicContact CD1-CE1 3.73Å; L18-Y39 HydrophobicContact CD2-CD1 4.13Å; L18-Y39 HydrophobicContact CD2-CE1 3.91Å; L18-Y39 HydrophobicContact CG-CE1 4.42Å; L18-V40 HydrophobicContact CD2-CG2 4.36Å; L18-R43 HydrophobicContact CD2-CB 3.61Å; L18-R43 HydrophobicContact CD2-CG 3.71Å |
| 19 | K | 97.1 | Very high | 96.6 | Very high | 153 Ų | 153 | 38.1 Ų | 38.1 | 67% | 0.665 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.4 | 172.9 | -66.1 | 170.6 | -173.7 | 173 | 0 | 113 | E15 R16 A17 | E15-K19 WeakPolarHBondContact O-CG 3.46Å; E15-K19 PolarHBondContact O-N 3.34Å; R16-K19 WeakPolarHBondContact O-CB 3.21Å; R16-K19 PolarHBondContact O-N 3.49Å; R16-K19 VanDerWaalsContact O-N 3.12Å; A17-K19 PolarHBondContact O-N 3.11Å |
| 20 | G | 95.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 10 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A17 L18 Q166 | A17-G20 PolarHBondContact O-N 2.99Å; L18-G20 VanDerWaalsContact C-N 3.26Å; G20-Q166 VanDerWaalsContact C-NE2 3.33Å |
| 21 | E | 97.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | trans | -79 | 148.7 | 176.5 | -58.3 | -176.1 | -112.6 | 0 | 0 | 111.6 | R16 V23 Q166 | R16-E21 HydrophobicContact CB-CB 4.35Å; R16-E21 IonicContact CZ-OE2 3.06Å; R16-E21 VanDerWaalsContact CZ-OE2 3.24Å; R16-E21 IonicContact NE-OE1 3.48Å; R16-E21 PolarHBondContact NE-OE1 2.96Å; R16-E21 IonicContact NE-OE2 3.82Å; R16-E21 PolarHBondContact NE-OE2 3.29Å; R16-E21 IonicContact NH2-OE2 3.42Å; R16-E21 PolarHBondContact NH2-OE2 3.44Å; R16-E21 WeakPolarHBondContact O-CB 3.26Å; R16-E21 PolarHBondContact O-N 3.11Å; R16-E21 VanDerWaalsContact O-N 3.14Å; E21-V23 HydrophobicContact CB-CG2 4.24Å; E21-Q166 PolarHBondContact O-NE2 3.25Å | ||
| 22 | N | 98.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | trans | -76.2 | 123 | 172.1 | -71.8 | -9.3 | 0 | 0 | 0 | 110.5 | Y153 Q166 I167 D197 S198 V199 | N22-Y153 PolarHBondContact ND2-OH 3.27Å; N22-Y153 VanDerWaalsContact ND2-OH 3.09Å; N22-Q166 WeakPolarHBondContact OD1-CA 3.31Å; N22-I167 WeakPolarHBondContact CA-O 3.38Å; N22-I167 HydrophobicContact CB-CB 4.23Å; N22-I167 PolarHBondContact OD1-N 3.49Å; N22-D197 WeakPolarHBondContact CB-O 3.32Å; N22-D197 PolarHBondContact ND2-O 2.89Å; N22-D197 VanDerWaalsContact ND2-O 3.1Å; N22-D197 PolarHBondContact ND2-OD2 3.32Å; N22-S198 WeakPolarHBondContact O-CA 3.4Å; N22-V199 VanDerWaalsContact O-CG2 3.3Å; N22-V199 WeakPolarHBondContact O-CG2 3.44Å; N22-V199 PolarHBondContact O-N 3.02Å | ||
| 23 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.9 | -166.7 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | R16 A17 E21 I25 I167 L168 G169 V199 V201 | R16-V23 HydrophobicContact CB-CG2 3.68Å; A17-V23 HydrophobicContact CB-CB 4.33Å; A17-V23 HydrophobicContact CB-CG2 4.28Å; E21-V23 HydrophobicContact CB-CG2 4.24Å; V23-I25 HydrophobicContact CG1-CG1 4.17Å; V23-I167 PolarHBondContact N-O 3.11Å; V23-L168 HydrophobicContact CB-CD1 4.41Å; V23-L168 CarbonylContact O-C 3.27Å; V23-L168 WeakPolarHBondContact O-CA 3.35Å; V23-G169 PolarHBondContact O-N 2.98Å; V23-V199 CarbonylContact C-O 3.56Å; V23-V199 WeakPolarHBondContact CA-O 3.18Å; V23-V199 HydrophobicContact CG2-CG2 4.03Å; V23-V201 HydrophobicContact CG1-CB 4.19Å; V23-V201 HydrophobicContact CG1-CG1 3.84Å; V23-V201 HydrophobicContact CG1-CG2 3.3Å |
| 24 | I | 98.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.7 | 163.3 | -61.9 | 163 | 0 | 0 | 0 | 108.2 | W26 G169 T171 I192 L196 V199 I200 V201 | I24-W26 PolarHBondContact O-N 3.3Å; I24-G169 CarbonylContact C-O 3.6Å; I24-G169 WeakPolarHBondContact CA-O 3.49Å; I24-T171 HydrophobicContact CG2-CG2 3.86Å; I24-I192 HydrophobicContact CD1-CG2 4.13Å; I24-L196 HydrophobicContact CD1-CB 4.15Å; I24-L196 HydrophobicContact CD1-CD1 3.64Å; I24-L196 HydrophobicContact CG1-CB 4.39Å; I24-L196 HydrophobicContact CG1-CD1 3.83Å; I24-V199 PolarHBondContact N-O 3.44Å; I24-I200 HydrophobicContact CB-CB 4.3Å; I24-I200 HydrophobicContact CB-CG1 4.22Å; I24-I200 HydrophobicContact CG2-CD1 4.26Å; I24-I200 HydrophobicContact CG2-CG1 4.11Å; I24-I200 WeakPolarHBondContact O-CA 3.42Å; I24-V201 WeakPolarHBondContact O-CG2 3.13Å; I24-V201 PolarHBondContact O-N 2.82Å |
| 25 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.5 | 172.4 | -64.5 | 179.5 | 0 | 0 | 0 | 109.1 | V13 V14 V23 L27 A36 L168 G169 L170 T171 V201 | V13-I25 HydrophobicContact CB-CG2 4.25Å; V13-I25 HydrophobicContact CG2-CD1 4.42Å; V13-I25 HydrophobicContact CG2-CG2 3.81Å; V14-I25 HydrophobicContact CG1-CD1 3.91Å; V23-I25 HydrophobicContact CG1-CG1 4.17Å; I25-L27 HydrophobicContact CG2-CD1 3.91Å; I25-L27 HydrophobicContact CG2-CG 3.82Å; I25-A36 HydrophobicContact CD1-CB 4.4Å; I25-L168 HydrophobicContact CD1-CD1 3.79Å; I25-L168 HydrophobicContact CG1-CD1 3.95Å; I25-G169 PolarHBondContact N-O 3.15Å; I25-L170 HydrophobicContact CB-CD2 4.13Å; I25-L170 HydrophobicContact CD1-CD2 4.21Å; I25-T171 PolarHBondContact O-N 3.03Å; I25-T171 VanDerWaalsContact O-N 3.1Å; I25-V201 HydrophobicContact CG1-CG2 4.17Å |
| 26 | W | 97.5 | Very high | 95 | Very high | 59 Ų | 59 | 34.2 Ų | 34.2 | 22% | 0.223 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 104.4 | 173.3 | 179.5 | 43.2 | 0 | 0 | 0 | 110.8 | I24 T171 A172 I200 V201 I509 | I24-W26 PolarHBondContact O-N 3.3Å; W26-T171 WeakPolarHBondContact CA-O 3.36Å; W26-A172 VanDerWaalsContact CD1-O 3.27Å; W26-A172 PolarHBondContact NE1-O 2.89Å; W26-I200 HydrophobicContact CB-CD1 4.06Å; W26-I200 HydrophobicContact CB-CG1 4.01Å; W26-I200 HydrophobicContact CG-CD1 4.47Å; W26-V201 WeakPolarHBondContact CB-O 3.45Å; W26-V201 PolarHBondContact N-O 3.22Å; W26-I509 HydrophobicContact CD2-CD1 3.5Å; W26-I509 HydrophobicContact CE3-CB 4.24Å; W26-I509 HydrophobicContact CE3-CD1 3.5Å; W26-I509 VanDerWaalsContact CE3-CD1 3.5Å; W26-I509 HydrophobicContact CE3-CG1 4.44Å; W26-I509 HydrophobicContact CE3-CG2 3.61Å; W26-I509 HydrophobicContact CG-CD1 4.21Å; W26-I509 HydrophobicContact CH2-CD1 3.76Å; W26-I509 HydrophobicContact CZ2-CD1 3.73Å; W26-I509 HydrophobicContact CZ3-CB 3.99Å; W26-I509 HydrophobicContact CZ3-CD1 3.64Å; W26-I509 HydrophobicContact CZ3-CG1 4.44Å; W26-I509 HydrophobicContact CZ3-CG2 3.69Å |
| 27 | L | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -138.2 | 146.9 | 174.8 | -66.7 | 176 | 0 | 0 | 0 | 109.8 | Y9 V13 I25 K33 T171 A172 T203 | Y9-L27 HydrophobicContact CD2-CD1 4.29Å; Y9-L27 HydrophobicContact CD2-CD2 3.96Å; Y9-L27 HydrophobicContact CE2-CD1 4.06Å; Y9-L27 HydrophobicContact CE2-CD2 4.32Å; V13-L27 HydrophobicContact CG1-CD2 4.09Å; V13-L27 HydrophobicContact CG2-CD1 4.03Å; V13-L27 HydrophobicContact CG2-CD2 4.46Å; V13-L27 HydrophobicContact CG2-CG 4.37Å; I25-L27 HydrophobicContact CG2-CD1 3.91Å; I25-L27 HydrophobicContact CG2-CG 3.82Å; L27-K33 HydrophobicContact CB-CD 4.28Å; L27-K33 HydrophobicContact CB-CG 3.77Å; L27-K33 HydrophobicContact CD1-CG 4.22Å; L27-K33 HydrophobicContact CG-CG 4.46Å; L27-K33 WeakPolarHBondContact O-CD 3.38Å; L27-K33 PolarHBondContact O-NZ 3.4Å; L27-T171 PolarHBondContact N-O 3.32Å; L27-A172 VanDerWaalsContact O-CA 3.25Å; L27-A172 WeakPolarHBondContact O-CA 3.23Å; L27-T203 HydrophobicContact CD2-CG2 4.43Å | ||
| 28 | P | 91.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 30 Ų | 30 | 25% | 0.253 | 17% | 0.169 | S | C | . | . | trans | -58.3 | 161.9 | 179.7 | 26 | -35.5 | 0 | 0 | 0 | 112.9 | G30 G31 K33 L210 V214 | P28-G30 PolarHBondContact O-N 2.98Å; P28-G31 PolarHBondContact O-N 2.97Å; P28-K33 PolarHBondContact O-NZ 2.85Å; P28-L210 HydrophobicContact CG-CD1 3.85Å; P28-L210 HydrophobicContact CG-CD2 3.94Å; P28-L210 HydrophobicContact CG-CG 4.14Å; P28-V214 HydrophobicContact CB-CG1 4.37Å; P28-V214 HydrophobicContact CG-CG1 4.2Å | ||
| 29 | T | 87.4 | Confident | 94.9 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 133.5 | 171.8 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | G31 A172 V214 Q469 G472 | T29-G31 VanDerWaalsContact C-N 3.29Å; T29-G31 PolarHBondContact O-N 3.33Å; T29-A172 WeakPolarHBondContact OG1-CB 3.25Å; T29-V214 VanDerWaalsContact O-CG1 3.23Å; T29-V214 WeakPolarHBondContact O-CG1 3.24Å; T29-Q469 PolarHBondContact OG1-OE1 2.89Å; T29-G472 VanDerWaalsContact CG2-O 3.27Å; T29-G472 WeakPolarHBondContact CG2-O 3.3Å |
| 30 | G | 85.4 | Confident | 95 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -9.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | P28 G32 | P28-G30 PolarHBondContact O-N 2.98Å; G30-G32 PolarHBondContact O-N 3.33Å |
| 31 | G | 89.6 | Confident | 95.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -68 | 0.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y9 Q10 P28 T29 | Y9-G31 VanDerWaalsContact CE2-O 3.25Å; Y9-G31 WeakPolarHBondContact CE2-O 3.47Å; Y9-G31 PolarHBondContact OH-O 2.77Å; Q10-G31 PolarHBondContact NE2-O 3.46Å; P28-G31 PolarHBondContact O-N 2.97Å; T29-G31 VanDerWaalsContact C-N 3.29Å; T29-G31 PolarHBondContact O-N 3.33Å |
| 32 | G | 91.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 18.4 Ų | 18.4 | 25% | 0.247 | 10% | 0.099 | C | C | . | . | trans | 72.5 | 40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q10 G30 T34 R35 A36 | Q10-G32 PolarHBondContact NE2-O 3.1Å; G30-G32 PolarHBondContact O-N 3.33Å; G32-T34 VanDerWaalsContact C-N 3.34Å; G32-T34 PolarHBondContact O-N 3.35Å; G32-R35 WeakPolarHBondContact O-CB 3.45Å; G32-R35 PolarHBondContact O-N 2.97Å; G32-A36 PolarHBondContact O-N 3.04Å; G32-A36 VanDerWaalsContact O-N 3.12Å | ||
| 33 | K | 94.4 | Very high | 95 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 7% | 0.074 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.9 | -45.8 | 175.5 | -70.9 | -175.8 | -72.4 | -76.8 | 0 | 112.5 | L27 P28 R35 A36 A37 L170 T171 | L27-K33 HydrophobicContact CB-CD 4.28Å; L27-K33 HydrophobicContact CB-CG 3.77Å; L27-K33 HydrophobicContact CD1-CG 4.22Å; L27-K33 HydrophobicContact CG-CG 4.46Å; L27-K33 WeakPolarHBondContact O-CD 3.38Å; L27-K33 PolarHBondContact O-NZ 3.4Å; P28-K33 PolarHBondContact O-NZ 2.85Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.41Å; K33-A36 WeakPolarHBondContact O-CB 3.33Å; K33-A36 PolarHBondContact O-N 3.39Å; K33-A37 PolarHBondContact O-N 2.87Å; K33-L170 HydrophobicContact CB-CB 4.39Å; K33-L170 HydrophobicContact CD-CB 4.4Å; K33-T171 WeakPolarHBondContact CD-O 3.38Å |
| 34 | T | 93.4 | Very high | 95 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 16% | 0.16 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 179.4 | -43.2 | 0 | 0 | 0 | 0 | 111.4 | G32 A36 A37 V38 H66 E70 F71 | G32-T34 VanDerWaalsContact C-N 3.34Å; G32-T34 PolarHBondContact O-N 3.35Å; T34-A36 PolarHBondContact O-N 3.36Å; T34-A37 WeakPolarHBondContact O-CA 3.27Å; T34-A37 WeakPolarHBondContact O-CB 3.31Å; T34-A37 PolarHBondContact O-N 2.74Å; T34-A37 VanDerWaalsContact O-N 3.11Å; T34-V38 WeakPolarHBondContact O-CG2 3.44Å; T34-V38 PolarHBondContact O-N 2.9Å; T34-H66 HydrophobicContact CG2-CB 4.47Å; T34-E70 HydrophobicContact CG2-CB 3.9Å; T34-E70 HydrophobicContact CG2-CG 3.75Å; T34-F71 HydrophobicContact CG2-CE2 4.14Å |
| 35 | R | 94.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 23.3 Ų | 23.3 | 20% | 0.196 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.8 | -178.2 | 58 | 56.9 | 111.7 | 6.4 | 112.5 | L6 G32 K33 A37 V38 Y39 E70 Y74 | L6-R35 HydrophobicContact CD2-CG 3.82Å; G32-R35 WeakPolarHBondContact O-CB 3.45Å; G32-R35 PolarHBondContact O-N 2.97Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.41Å; R35-A37 VanDerWaalsContact C-N 3.3Å; R35-A37 PolarHBondContact O-N 3.09Å; R35-V38 PolarHBondContact O-N 3.37Å; R35-Y39 PolarHBondContact O-N 3.17Å; R35-Y39 VanDerWaalsContact O-N 3.12Å; R35-E70 IonicContact CZ-OE2 2.65Å; R35-E70 IonicContact NE-OE1 3.42Å; R35-E70 IonicContact NE-OE2 3.61Å; R35-E70 PolarHBondContact NE-OE2 2.89Å; R35-E70 IonicContact NH2-OE1 2.8Å; R35-E70 PolarHBondContact NH2-OE1 3.43Å; R35-E70 IonicContact NH2-OE2 3.48Å; R35-E70 PolarHBondContact NH2-OE2 2.87Å; R35-E70 VanDerWaalsContact NH2-OE2 3.15Å; R35-Y74 VanDerWaalsContact CZ-OH 3.24Å; R35-Y74 PolarHBondContact NH1-OH 2.98Å; R35-Y74 PolarHBondContact NH2-OH 3.26Å |
| 36 | A | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V14 I25 G32 K33 T34 Y39 V40 | V14-A36 HydrophobicContact CG1-CB 3.75Å; I25-A36 HydrophobicContact CD1-CB 4.4Å; G32-A36 PolarHBondContact O-N 3.04Å; G32-A36 VanDerWaalsContact O-N 3.12Å; K33-A36 WeakPolarHBondContact O-CB 3.33Å; K33-A36 PolarHBondContact O-N 3.39Å; T34-A36 PolarHBondContact O-N 3.36Å; A36-Y39 WeakPolarHBondContact O-CB 3.31Å; A36-Y39 PolarHBondContact O-N 2.88Å; A36-V40 WeakPolarHBondContact O-CG2 3.32Å; A36-V40 PolarHBondContact O-N 2.89Å |
| 37 | A | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K33 T34 R35 Y39 V40 A41 I133 L168 L170 | K33-A37 PolarHBondContact O-N 2.87Å; T34-A37 WeakPolarHBondContact O-CA 3.27Å; T34-A37 WeakPolarHBondContact O-CB 3.31Å; T34-A37 PolarHBondContact O-N 2.74Å; T34-A37 VanDerWaalsContact O-N 3.11Å; R35-A37 VanDerWaalsContact C-N 3.3Å; R35-A37 PolarHBondContact O-N 3.09Å; A37-Y39 VanDerWaalsContact C-N 3.27Å; A37-Y39 PolarHBondContact O-N 2.82Å; A37-V40 PolarHBondContact O-N 2.84Å; A37-A41 WeakPolarHBondContact O-CB 3.35Å; A37-A41 PolarHBondContact O-N 2.93Å; A37-I133 HydrophobicContact CB-CD1 4.32Å; A37-I133 HydrophobicContact CB-CG2 4.09Å; A37-L168 HydrophobicContact CB-CD2 4.01Å; A37-L170 HydrophobicContact CB-CD1 3.68Å; A37-L170 HydrophobicContact CB-CD2 4.06Å; A37-L170 HydrophobicContact CB-CG 4.44Å |
| 38 | V | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | F4 T34 R35 A41 R42 E70 F71 Y74 L75 | F4-V38 HydrophobicContact CE2-CB 4.43Å; F4-V38 HydrophobicContact CE2-CG1 3.92Å; F4-V38 HydrophobicContact CZ-CB 4.02Å; F4-V38 HydrophobicContact CZ-CG1 3.65Å; T34-V38 WeakPolarHBondContact O-CG2 3.44Å; T34-V38 PolarHBondContact O-N 2.9Å; R35-V38 PolarHBondContact O-N 3.37Å; V38-A41 PolarHBondContact O-N 3.06Å; V38-R42 WeakPolarHBondContact O-CB 3.4Å; V38-R42 PolarHBondContact O-N 3.1Å; V38-E70 HydrophobicContact CG2-CB 3.95Å; V38-F71 HydrophobicContact CG2-CD1 4.09Å; V38-F71 HydrophobicContact CG2-CD2 3.73Å; V38-F71 HydrophobicContact CG2-CE1 4.05Å; V38-F71 HydrophobicContact CG2-CE2 3.69Å; V38-F71 HydrophobicContact CG2-CG 3.93Å; V38-F71 HydrophobicContact CG2-CZ 3.85Å; V38-Y74 HydrophobicContact CG1-CD2 4.31Å; V38-L75 HydrophobicContact CG1-CD1 4.29Å; V38-L75 HydrophobicContact CG1-CG 4.19Å |
| 39 | Y | 97.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 34.8 Ų | 34.8 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 176.7 | -176.3 | -82.6 | 0 | 0 | 0 | 112.2 | F4 L6 V14 L18 R35 A36 A37 R42 R43 | F4-Y39 AromaticContact CD1-CD2 3.96Å; F4-Y39 HydrophobicContact CD1-CD2 3.96Å; F4-Y39 AromaticContact CE1-CD2 3.5Å; F4-Y39 HydrophobicContact CE1-CD2 3.5Å; F4-Y39 VanDerWaalsContact CE1-CD2 3.5Å; F4-Y39 AromaticContact CE1-CG 4Å; F4-Y39 HydrophobicContact CE1-CG 4Å; L6-Y39 HydrophobicContact CD1-CD1 3.71Å; L6-Y39 HydrophobicContact CD1-CD2 3.73Å; L6-Y39 HydrophobicContact CD1-CE1 4.32Å; L6-Y39 HydrophobicContact CD1-CE2 4.35Å; L6-Y39 HydrophobicContact CD1-CG 3.41Å; L6-Y39 VanDerWaalsContact CD1-CG 3.41Å; L6-Y39 HydrophobicContact CD2-CG 4.46Å; L6-Y39 HydrophobicContact CG-CD2 3.75Å; L6-Y39 HydrophobicContact CG-CE2 4.46Å; L6-Y39 HydrophobicContact CG-CG 3.88Å; V14-Y39 HydrophobicContact CG2-CD1 4.3Å; L18-Y39 HydrophobicContact CD1-CD1 4.42Å; L18-Y39 HydrophobicContact CD1-CE1 3.73Å; L18-Y39 HydrophobicContact CD2-CD1 4.13Å; L18-Y39 HydrophobicContact CD2-CE1 3.91Å; L18-Y39 HydrophobicContact CG-CE1 4.42Å; R35-Y39 PolarHBondContact O-N 3.17Å; R35-Y39 VanDerWaalsContact O-N 3.12Å; A36-Y39 WeakPolarHBondContact O-CB 3.31Å; A36-Y39 PolarHBondContact O-N 2.88Å; A37-Y39 VanDerWaalsContact C-N 3.27Å; A37-Y39 PolarHBondContact O-N 2.82Å; Y39-R42 PolarHBondContact O-N 3.46Å; Y39-R43 HydrophobicContact CD1-CG 4.1Å; Y39-R43 HydrophobicContact CE1-CG 3.66Å; Y39-R43 WeakPolarHBondContact O-CG 3.27Å; Y39-R43 PolarHBondContact O-N 2.8Å; Y39-R43 PolarHBondContact OH-NE 2.81Å; Y39-R43 VanDerWaalsContact OH-NE 3.14Å; Y39-R43 PolarHBondContact OH-NH2 3.36Å |
| 40 | V | 98.2 | Very high | 95 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | V14 A17 L18 A36 A37 R42 R43 H44 L131 L168 | V14-V40 HydrophobicContact CB-CG2 3.76Å; V14-V40 HydrophobicContact CG1-CG2 3.72Å; A17-V40 HydrophobicContact CB-CG1 4.04Å; A17-V40 HydrophobicContact CB-CG2 4.01Å; L18-V40 HydrophobicContact CD2-CG2 4.36Å; A36-V40 WeakPolarHBondContact O-CG2 3.32Å; A36-V40 PolarHBondContact O-N 2.89Å; A37-V40 PolarHBondContact O-N 2.84Å; V40-R42 VanDerWaalsContact C-N 3.35Å; V40-R42 PolarHBondContact O-N 3.49Å; V40-R43 PolarHBondContact O-N 3.46Å; V40-H44 VanDerWaalsContact O-CB 3.29Å; V40-H44 WeakPolarHBondContact O-CB 3.15Å; V40-H44 PolarHBondContact O-N 2.98Å; V40-L131 HydrophobicContact CG1-CD2 4.25Å; V40-L168 HydrophobicContact CB-CD2 3.97Å; V40-L168 HydrophobicContact CG1-CD2 4.01Å; V40-L168 HydrophobicContact CG2-CD2 4.22Å |
| 41 | A | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -46 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A37 V38 R43 H44 L45 V53 F71 L75 L131 I133 | A37-A41 WeakPolarHBondContact O-CB 3.35Å; A37-A41 PolarHBondContact O-N 2.93Å; V38-A41 PolarHBondContact O-N 3.06Å; A41-R43 PolarHBondContact O-N 2.89Å; A41-H44 PolarHBondContact O-N 3.19Å; A41-L45 WeakPolarHBondContact O-CB 3.44Å; A41-L45 WeakPolarHBondContact O-CD1 3.06Å; A41-L45 VanDerWaalsContact O-CG 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.41Å; A41-L45 PolarHBondContact O-N 2.88Å; A41-V53 HydrophobicContact CB-CG1 4.07Å; A41-V53 HydrophobicContact CB-CG2 4.45Å; A41-F71 HydrophobicContact CB-CE1 4.21Å; A41-L75 HydrophobicContact CB-CD1 4.38Å; A41-L131 HydrophobicContact CB-CD2 4.47Å; A41-I133 HydrophobicContact CB-CD1 4.08Å |
| 42 | R | 97 | Very high | 96 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -52 | 177 | -166.9 | 178.4 | 60.7 | 171.4 | -0.3 | 111.6 | V38 Y39 V40 H44 L45 E46 L75 | V38-R42 WeakPolarHBondContact O-CB 3.4Å; V38-R42 PolarHBondContact O-N 3.1Å; Y39-R42 PolarHBondContact O-N 3.46Å; V40-R42 VanDerWaalsContact C-N 3.35Å; V40-R42 PolarHBondContact O-N 3.49Å; R42-H44 VanDerWaalsContact C-N 3.3Å; R42-H44 PolarHBondContact O-N 3.34Å; R42-L45 PolarHBondContact O-N 2.81Å; R42-E46 WeakPolarHBondContact CG-OE1 3.37Å; R42-E46 IonicContact NE-OE1 3.76Å; R42-E46 VanDerWaalsContact O-CG 3.32Å; R42-E46 WeakPolarHBondContact O-CG 3.33Å; R42-E46 PolarHBondContact O-N 3.14Å; R42-L75 HydrophobicContact CB-CD2 3.62Å; R42-L75 HydrophobicContact CG-CD2 3.65Å |
| 43 | R | 97.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 41 Ų | 41 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -39.1 | -179.1 | -69.5 | -54.1 | -164.4 | 168.1 | 5.4 | 111.6 | L18 Y39 V40 A41 E46 T47 | L18-R43 HydrophobicContact CD2-CB 3.61Å; L18-R43 HydrophobicContact CD2-CG 3.71Å; Y39-R43 HydrophobicContact CD1-CG 4.1Å; Y39-R43 HydrophobicContact CE1-CG 3.66Å; Y39-R43 WeakPolarHBondContact O-CG 3.27Å; Y39-R43 PolarHBondContact O-N 2.8Å; Y39-R43 PolarHBondContact OH-NE 2.81Å; Y39-R43 VanDerWaalsContact OH-NE 3.14Å; Y39-R43 PolarHBondContact OH-NH2 3.36Å; V40-R43 PolarHBondContact O-N 3.46Å; A41-R43 PolarHBondContact O-N 2.89Å; R43-E46 WeakPolarHBondContact CD-OE2 3.47Å; R43-E46 IonicContact CZ-OE2 3.02Å; R43-E46 IonicContact NE-OE2 3.36Å; R43-E46 IonicContact NH1-OE2 3.1Å; R43-E46 PolarHBondContact NH1-OE2 2.86Å; R43-E46 PolarHBondContact O-N 3.2Å; R43-T47 WeakPolarHBondContact O-CG2 3.23Å; R43-T47 PolarHBondContact O-N 2.63Å; R43-T47 PolarHBondContact O-OG1 3.44Å |
| 44 | H | 98 | Very high | 96.5 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 176 | -173.1 | 83.8 | 0 | 0 | 0 | 112.1 | V40 A41 R42 E46 T47 T48 T130 L131 | V40-H44 VanDerWaalsContact O-CB 3.29Å; V40-H44 WeakPolarHBondContact O-CB 3.15Å; V40-H44 PolarHBondContact O-N 2.98Å; A41-H44 PolarHBondContact O-N 3.19Å; R42-H44 VanDerWaalsContact C-N 3.3Å; R42-H44 PolarHBondContact O-N 3.34Å; H44-E46 VanDerWaalsContact C-N 3.35Å; H44-T47 PolarHBondContact O-N 3.44Å; H44-T48 WeakPolarHBondContact O-CB 3.35Å; H44-T48 PolarHBondContact O-N 3.35Å; H44-T48 PolarHBondContact O-OG1 3.33Å; H44-T130 WeakPolarHBondContact NE2-CB 3.37Å; H44-T130 PolarHBondContact NE2-OG1 2.95Å; H44-L131 HydrophobicContact CB-CD2 3.92Å |
| 45 | L | 97.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.6 | -70.2 | 159.1 | 0 | 0 | 0 | 112.4 | A41 R42 A51 V53 L75 Y79 D102 V103 | A41-L45 WeakPolarHBondContact O-CB 3.44Å; A41-L45 WeakPolarHBondContact O-CD1 3.06Å; A41-L45 VanDerWaalsContact O-CG 3.26Å; A41-L45 WeakPolarHBondContact O-CG 3.41Å; A41-L45 PolarHBondContact O-N 2.88Å; R42-L45 PolarHBondContact O-N 2.81Å; L45-A51 HydrophobicContact CD2-CB 3.82Å; L45-A51 HydrophobicContact CG-CB 4.47Å; L45-V53 HydrophobicContact CD1-CG2 4.27Å; L45-V53 HydrophobicContact CD2-CG2 3.96Å; L45-V53 HydrophobicContact CG-CG2 3.88Å; L45-L75 HydrophobicContact CD1-CD1 4.33Å; L45-Y79 HydrophobicContact CB-CD1 4.29Å; L45-Y79 HydrophobicContact CB-CE1 3.62Å; L45-Y79 HydrophobicContact CB-CE2 4.13Å; L45-Y79 HydrophobicContact CD1-CD1 4.15Å; L45-Y79 HydrophobicContact CD1-CD2 3.96Å; L45-Y79 HydrophobicContact CD1-CE1 4.26Å; L45-Y79 HydrophobicContact CD1-CE2 4.06Å; L45-Y79 HydrophobicContact CD1-CG 3.99Å; L45-Y79 HydrophobicContact CD2-CD1 4.11Å; L45-Y79 HydrophobicContact CD2-CE1 4.19Å; L45-Y79 HydrophobicContact CG-CD1 4.43Å; L45-Y79 HydrophobicContact CG-CE1 4.24Å; L45-D102 HydrophobicContact CD2-CB 4.09Å; L45-V103 HydrophobicContact CD1-CG2 3.69Å; L45-V103 HydrophobicContact CD2-CG2 4.39Å |
| 46 | E | 95.9 | Very high | 97 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.5 | -34 | 177.4 | -73.8 | 168.1 | -173.1 | 0 | 0 | 112.9 | R42 R43 H44 | R42-E46 WeakPolarHBondContact CG-OE1 3.37Å; R42-E46 IonicContact NE-OE1 3.76Å; R42-E46 VanDerWaalsContact O-CG 3.32Å; R42-E46 WeakPolarHBondContact O-CG 3.33Å; R42-E46 PolarHBondContact O-N 3.14Å; R43-E46 WeakPolarHBondContact CD-OE2 3.47Å; R43-E46 IonicContact CZ-OE2 3.02Å; R43-E46 IonicContact NE-OE2 3.36Å; R43-E46 IonicContact NH1-OE2 3.1Å; R43-E46 PolarHBondContact NH1-OE2 2.86Å; R43-E46 PolarHBondContact O-N 3.2Å; H44-E46 VanDerWaalsContact C-N 3.35Å |
| 47 | T | 96.2 | Very high | 96.9 | Very high | 111 Ų | 111 | 36.7 Ų | 36.7 | 68% | 0.681 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -107.1 | -13.5 | -169.4 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | R43 H44 | R43-T47 WeakPolarHBondContact O-CG2 3.23Å; R43-T47 PolarHBondContact O-N 2.63Å; R43-T47 PolarHBondContact O-OG1 3.44Å; H44-T47 PolarHBondContact O-N 3.44Å |
| 48 | T | 95.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 39 Ų | 39 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -111.2 | 122.5 | -175.7 | -57 | 0 | 0 | 0 | 0 | 110.8 | H44 A51 | H44-T48 WeakPolarHBondContact O-CB 3.35Å; H44-T48 PolarHBondContact O-N 3.35Å; H44-T48 PolarHBondContact O-OG1 3.33Å; T48-A51 HydrophobicContact CG2-CB 4.35Å; T48-A51 VanDerWaalsContact O-CB 3.3Å; T48-A51 WeakPolarHBondContact O-CB 3.38Å; T48-A51 PolarHBondContact O-N 3.21Å |
| 49 | A | 92.3 | Very high | 95.9 | Very high | 88 Ų | 88 | 41 Ų | 41 | 73% | 0.727 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 136.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A51 | A49-A51 PolarHBondContact O-N 2.9Š|
| 50 | N | 92.3 | Very high | 95.1 | Very high | 160 Ų | 160 | 40.8 Ų | 40.8 | 86% | 0.856 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 36.5 | -176.3 | -55.4 | -38.1 | 0 | 0 | 0 | 112.8 | K52 | N50-K52 PolarHBondContact O-N 3.05Š|
| 51 | A | 96.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | trans | -57.8 | 135.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L45 T48 A49 | L45-A51 HydrophobicContact CD2-CB 3.82Å; L45-A51 HydrophobicContact CG-CB 4.47Å; T48-A51 HydrophobicContact CG2-CB 4.35Å; T48-A51 VanDerWaalsContact O-CB 3.3Å; T48-A51 WeakPolarHBondContact O-CB 3.38Å; T48-A51 PolarHBondContact O-N 3.21Å; A49-A51 PolarHBondContact O-N 2.9Å | ||
| 52 | K | 98.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 14% | 0.135 | 23% | 0.227 | C | C | . | . | trans | -131.6 | 118.2 | 174.3 | -164.5 | 134.6 | -59.7 | -167.5 | 0 | 109.5 | N50 V98 Q99 N101 I104 D128 T130 L131 | N50-K52 PolarHBondContact O-N 3.05Å; K52-V98 HydrophobicContact CD-CG1 3.71Å; K52-V98 VanDerWaalsContact CD-O 3.27Å; K52-V98 WeakPolarHBondContact CD-O 3.35Å; K52-V98 VanDerWaalsContact CE-O 3.31Å; K52-V98 WeakPolarHBondContact CE-O 3.38Å; K52-V98 PolarHBondContact NZ-O 3.07Å; K52-Q99 PolarHBondContact NZ-O 2.93Å; K52-N101 WeakPolarHBondContact CE-O 3.17Å; K52-N101 PolarHBondContact NZ-O 3.14Å; K52-I104 HydrophobicContact CG-CD1 4.43Å; K52-D128 VanDerWaalsContact CB-O 3.23Å; K52-D128 WeakPolarHBondContact CB-O 3.33Å; K52-D128 WeakPolarHBondContact CD-O 3.41Å; K52-D128 WeakPolarHBondContact CG-O 3.37Å; K52-T130 PolarHBondContact N-OG1 3.12Å; K52-T130 PolarHBondContact O-N 3.02Å; K52-T130 PolarHBondContact O-OG1 2.98Å; K52-L131 PolarHBondContact O-N 3.03Å; K52-L131 VanDerWaalsContact O-N 3.09Å | ||
| 53 | V | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | A41 L45 V55 D102 V103 I104 L131 I133 | A41-V53 HydrophobicContact CB-CG1 4.07Å; A41-V53 HydrophobicContact CB-CG2 4.45Å; L45-V53 HydrophobicContact CD1-CG2 4.27Å; L45-V53 HydrophobicContact CD2-CG2 3.96Å; L45-V53 HydrophobicContact CG-CG2 3.88Å; V53-V55 HydrophobicContact CG1-CG2 4.33Å; V53-D102 PolarHBondContact N-O 2.89Å; V53-V103 HydrophobicContact CB-CG1 4.41Å; V53-V103 HydrophobicContact CB-CG2 4.19Å; V53-V103 CarbonylContact O-C 3.38Å; V53-V103 WeakPolarHBondContact O-CA 3.42Å; V53-I104 PolarHBondContact O-N 2.99Å; V53-L131 WeakPolarHBondContact CA-O 3.33Å; V53-L131 HydrophobicContact CG1-CB 4.5Å; V53-L131 HydrophobicContact CG1-CD2 4.09Å; V53-L131 HydrophobicContact CG1-CG 4.33Å; V53-L131 HydrophobicContact CG2-CB 4.28Å; V53-L131 HydrophobicContact CG2-CD2 4.22Å; V53-I133 HydrophobicContact CG1-CD1 3.92Å; V53-I133 HydrophobicContact CG1-CG1 4.29Å |
| 54 | M | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.1 | 175.6 | -176.8 | 70.8 | 65 | 0 | 0 | 109.4 | L56 F94 V98 I104 C106 L111 I129 L131 L132 I133 | M54-L56 HydrophobicContact CG-CD2 3.8Å; M54-L56 HydrophobicContact SD-CD2 4.4Å; M54-F94 HydrophobicContact CE-CE1 4.18Å; M54-F94 HydrophobicContact CE-CZ 3.88Å; M54-F94 HydrophobicContact SD-CZ 4.15Å; M54-V98 HydrophobicContact CE-CG2 3.68Å; M54-I104 CarbonylContact C-O 3.49Å; M54-I104 WeakPolarHBondContact CA-O 3.49Å; M54-I104 HydrophobicContact CE-CB 4Å; M54-I104 HydrophobicContact CE-CD1 4.44Å; M54-I104 HydrophobicContact CE-CG2 4.22Å; M54-I104 HydrophobicContact SD-CB 3.78Å; M54-I104 HydrophobicContact SD-CG2 3.82Å; M54-C106 VanDerWaalsContact SD-SG 3.64Å; M54-L111 HydrophobicContact CE-CD1 4.47Å; M54-L111 HydrophobicContact CG-CD2 4.21Å; M54-I129 HydrophobicContact CB-CD1 4.02Å; M54-I129 HydrophobicContact CB-CG1 4.37Å; M54-I129 HydrophobicContact CB-CG2 3.77Å; M54-I129 HydrophobicContact CE-CD1 4.14Å; M54-I129 HydrophobicContact CG-CD1 4.18Å; M54-L131 PolarHBondContact N-O 2.98Å; M54-L132 HydrophobicContact CB-CD1 3.77Å; M54-L132 HydrophobicContact CG-CD1 3.74Å; M54-L132 WeakPolarHBondContact O-CA 3.45Å; M54-I133 PolarHBondContact O-N 3.35Å |
| 55 | V | 98.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.4 | 179 | -171 | 0 | 0 | 0 | 0 | 109 | V53 F71 I104 I105 C106 I133 | V53-V55 HydrophobicContact CG1-CG2 4.33Å; V55-F71 HydrophobicContact CB-CZ 4.49Å; V55-F71 HydrophobicContact CG1-CE2 4.31Å; V55-F71 HydrophobicContact CG1-CZ 4.18Å; V55-F71 HydrophobicContact CG2-CD1 4.44Å; V55-F71 HydrophobicContact CG2-CE1 3.65Å; V55-F71 HydrophobicContact CG2-CE2 4.27Å; V55-F71 HydrophobicContact CG2-CZ 3.55Å; V55-I104 PolarHBondContact N-O 3.19Å; V55-I105 HydrophobicContact CB-CB 4.37Å; V55-I105 HydrophobicContact CB-CG1 4.06Å; V55-I105 HydrophobicContact CB-CG2 4.26Å; V55-I105 HydrophobicContact CG1-CG2 4.39Å; V55-I105 HydrophobicContact CG2-CG1 4.16Å; V55-I105 WeakPolarHBondContact O-CA 3.44Å; V55-C106 PolarHBondContact O-N 2.87Å; V55-I133 CarbonylContact C-O 3.56Å; V55-I133 WeakPolarHBondContact CA-O 2.99Å; V55-I133 HydrophobicContact CG1-CB 4.31Å; V55-I133 HydrophobicContact CG1-CG2 4.31Å; V55-I133 HydrophobicContact CG2-CB 4.29Å; V55-I133 HydrophobicContact CG2-CD1 4.25Å |
| 56 | L | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.8 | 179 | -54.3 | -172.5 | 0 | 0 | 0 | 111.2 | M54 C106 L111 L132 I133 I134 D135 Y146 I149 | M54-L56 HydrophobicContact CG-CD2 3.8Å; M54-L56 HydrophobicContact SD-CD2 4.4Å; L56-C106 WeakPolarHBondContact CA-O 3.47Å; L56-L111 HydrophobicContact CD1-CD2 4.06Å; L56-L111 HydrophobicContact CD2-CB 4.06Å; L56-L111 HydrophobicContact CD2-CD2 3.85Å; L56-L111 HydrophobicContact CG-CD2 4.45Å; L56-L132 HydrophobicContact CD1-CD1 3.87Å; L56-L132 HydrophobicContact CD1-CD2 4.44Å; L56-L132 HydrophobicContact CD1-CG 4.43Å; L56-L132 HydrophobicContact CD2-CD1 4.3Å; L56-L132 HydrophobicContact CG-CD1 3.76Å; L56-I133 PolarHBondContact N-O 2.9Å; L56-I134 HydrophobicContact CD1-CG1 4.34Å; L56-D135 WeakPolarHBondContact O-CB 3.4Å; L56-D135 PolarHBondContact O-N 2.93Å; L56-Y146 HydrophobicContact CB-CD1 4.48Å; L56-Y146 HydrophobicContact CB-CE1 3.8Å; L56-Y146 HydrophobicContact CD1-CD1 4.38Å; L56-Y146 HydrophobicContact CD1-CE1 4.48Å; L56-Y146 PolarHBondContact O-OH 3.23Å; L56-I149 HydrophobicContact CD1-CD1 3.74Å |
| 57 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.2 | 172.2 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | K59 L62 V63 H66 C106 T107 A108 D135 Y146 | V57-K59 VanDerWaalsContact CG2-O 3.32Å; V57-K59 WeakPolarHBondContact CG2-O 3.2Å; V57-L62 HydrophobicContact CB-CB 3.77Å; V57-L62 HydrophobicContact CB-CD1 4.24Å; V57-L62 HydrophobicContact CG1-CB 3.89Å; V57-L62 HydrophobicContact CG2-CB 3.98Å; V57-V63 HydrophobicContact CG2-CB 4.49Å; V57-V63 HydrophobicContact CG2-CG2 3.42Å; V57-V63 VanDerWaalsContact CG2-CG2 3.42Å; V57-H66 VanDerWaalsContact CG1-CD2 3.47Å; V57-H66 WeakPolarHBondContact CG1-CD2 3.27Å; V57-C106 PolarHBondContact N-O 2.81Å; V57-T107 HydrophobicContact CG2-CG2 4.27Å; V57-T107 WeakPolarHBondContact O-CA 3.5Å; V57-A108 PolarHBondContact O-N 3.46Å; V57-A108 VanDerWaalsContact O-N 3.1Å; V57-D135 HydrophobicContact CG1-CB 4.21Å; V57-Y146 VanDerWaalsContact CA-OH 3.23Å; V57-Y146 WeakPolarHBondContact CA-OH 3.49Å |
| 58 | N | 88.9 | Confident | 92 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -91.7 | -12.3 | -178.3 | 68 | -16.8 | 0 | 0 | 0 | 113.5 | L62 H139 Y146 E445 | N58-L62 VanDerWaalsContact OD1-CD1 3.31Å; N58-L62 WeakPolarHBondContact OD1-CD1 3.47Å; N58-H139 PolarHBondContact ND2-CD2 3.1Å; N58-H139 VanDerWaalsContact ND2-CD2 3.35Å; N58-H139 PolarHBondContact ND2-NE2 2.92Å; N58-Y146 HydrophobicContact CB-CE2 4.4Å; N58-Y146 PolarHBondContact N-OH 3.42Å; N58-E445 PolarHBondContact ND2-OE2 2.97Å |
| 59 | K | 84.6 | Confident | 91.6 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -135 | 147.1 | -177.9 | -61.8 | -178.6 | -170.1 | 175.2 | 0 | 111.1 | V57 H61 L62 V442 E445 | V57-K59 VanDerWaalsContact CG2-O 3.32Å; V57-K59 WeakPolarHBondContact CG2-O 3.2Å; K59-H61 WeakPolarHBondContact CD-CE1 3.26Å; K59-L62 HydrophobicContact CB-CD1 4.14Å; K59-L62 HydrophobicContact CB-CG 4.27Å; K59-L62 WeakPolarHBondContact O-CB 3.4Å; K59-L62 PolarHBondContact O-N 2.8Å; K59-V442 PolarHBondContact NZ-O 2.94Å; K59-E445 PolarHBondContact NZ-O 3.44Å |
| 60 | V | 81.6 | Confident | 91.6 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 21% | 0.212 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | -176.8 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | L62 V63 S85 T107 Q419 | V60-L62 PolarHBondContact O-N 2.69Å; V60-V63 VanDerWaalsContact O-CB 3.24Å; V60-V63 WeakPolarHBondContact O-CB 3.2Å; V60-V63 WeakPolarHBondContact O-CG2 3.47Å; V60-V63 PolarHBondContact O-N 3.22Å; V60-S85 VanDerWaalsContact CG1-CB 3.5Å; V60-T107 HydrophobicContact CB-CG2 4.43Å; V60-T107 HydrophobicContact CG2-CG2 3.83Å; V60-Q419 VanDerWaalsContact CB-OE1 3.28Å |
| 61 | H | 79.9 | Confident | 91.8 | Very high | 31 Ų | 31 | 25.3 Ų | 25.3 | 14% | 0.144 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -20.6 | -179.8 | 66.4 | -104.2 | 0 | 0 | 0 | 113.8 | K59 V63 Q65 | K59-H61 WeakPolarHBondContact CD-CE1 3.26Å; H61-V63 VanDerWaalsContact C-N 3.32Å; H61-Q65 VanDerWaalsContact O-CB 3.32Å; H61-Q65 WeakPolarHBondContact O-CB 3.19Å; H61-Q65 PolarHBondContact O-N 3.49Å; H61-Q65 VanDerWaalsContact O-N 3.16Å |
| 62 | L | 88 | Confident | 91.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.3 | -26.9 | 175 | -72.9 | 176.1 | 0 | 0 | 0 | 112.6 | V57 N58 K59 V60 Q65 H66 G446 | V57-L62 HydrophobicContact CB-CB 3.77Å; V57-L62 HydrophobicContact CB-CD1 4.24Å; V57-L62 HydrophobicContact CG1-CB 3.89Å; V57-L62 HydrophobicContact CG2-CB 3.98Å; N58-L62 VanDerWaalsContact OD1-CD1 3.31Å; N58-L62 WeakPolarHBondContact OD1-CD1 3.47Å; K59-L62 HydrophobicContact CB-CD1 4.14Å; K59-L62 HydrophobicContact CB-CG 4.27Å; K59-L62 WeakPolarHBondContact O-CB 3.4Å; K59-L62 PolarHBondContact O-N 2.8Å; V60-L62 PolarHBondContact O-N 2.69Å; L62-Q65 PolarHBondContact O-N 3.07Å; L62-H66 WeakPolarHBondContact O-CB 3.31Å; L62-H66 VanDerWaalsContact O-CG 3.29Å; L62-H66 PolarHBondContact O-N 2.92Å; L62-G446 VanDerWaalsContact CD2-O 3.22Å; L62-G446 WeakPolarHBondContact CD2-O 3.48Å |
| 63 | V | 90.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -55.9 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | V57 V60 H61 Q65 Y67 K83 I105 T107 | V57-V63 HydrophobicContact CG2-CB 4.49Å; V57-V63 HydrophobicContact CG2-CG2 3.42Å; V57-V63 VanDerWaalsContact CG2-CG2 3.42Å; V60-V63 VanDerWaalsContact O-CB 3.24Å; V60-V63 WeakPolarHBondContact O-CB 3.2Å; V60-V63 WeakPolarHBondContact O-CG2 3.47Å; V60-V63 PolarHBondContact O-N 3.22Å; H61-V63 VanDerWaalsContact C-N 3.32Å; V63-Q65 VanDerWaalsContact C-N 3.35Å; V63-Q65 PolarHBondContact O-N 3.29Å; V63-Y67 VanDerWaalsContact O-CB 3.26Å; V63-Y67 WeakPolarHBondContact O-CB 3.49Å; V63-Y67 PolarHBondContact O-N 2.88Å; V63-K83 HydrophobicContact CG1-CB 3.66Å; V63-I105 HydrophobicContact CG1-CG2 4.22Å; V63-T107 HydrophobicContact CG2-CG2 3.95Å |
| 64 | D | 87.5 | Confident | 91.3 | Very high | 67 Ų | 67 | 34 Ų | 34 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.2 | -39 | 179.1 | -70.9 | -51.4 | 0 | 0 | 0 | 112.4 | T68 K83 | D64-T68 WeakPolarHBondContact O-CB 3.41Å; D64-T68 PolarHBondContact O-N 3.14Å; D64-T68 PolarHBondContact O-OG1 3.3Å; D64-K83 WeakPolarHBondContact OD1-CD 3.32Å; D64-K83 WeakPolarHBondContact OD1-CE 3.44Å; D64-K83 IonicContact OD1-NZ 3.82Å; D64-K83 PolarHBondContact OD1-NZ 3.31Å |
| 65 | Q | 87.7 | Confident | 91.2 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -50.2 | 180 | -175 | 177.9 | -69.1 | 0 | 0 | 111.6 | H61 L62 V63 K69 G446 | H61-Q65 VanDerWaalsContact O-CB 3.32Å; H61-Q65 WeakPolarHBondContact O-CB 3.19Å; H61-Q65 PolarHBondContact O-N 3.49Å; H61-Q65 VanDerWaalsContact O-N 3.16Å; L62-Q65 PolarHBondContact O-N 3.07Å; V63-Q65 VanDerWaalsContact C-N 3.35Å; V63-Q65 PolarHBondContact O-N 3.29Å; Q65-K69 HydrophobicContact CG-CD 4.12Å; Q65-K69 VanDerWaalsContact O-CB 3.28Å; Q65-K69 WeakPolarHBondContact O-CB 3.49Å; Q65-K69 PolarHBondContact O-N 3.27Å; Q65-G446 PolarHBondContact NE2-O 3.11Å; Q65-G446 PolarHBondContact OE1-O 2.67Å |
| 66 | H | 93.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.2 | -37.8 | -179.2 | -67 | -19.8 | 0 | 0 | 0 | 111.3 | T34 V57 L62 E70 F71 I105 D135 | T34-H66 HydrophobicContact CG2-CB 4.47Å; V57-H66 VanDerWaalsContact CG1-CD2 3.47Å; V57-H66 WeakPolarHBondContact CG1-CD2 3.27Å; L62-H66 WeakPolarHBondContact O-CB 3.31Å; L62-H66 VanDerWaalsContact O-CG 3.29Å; L62-H66 PolarHBondContact O-N 2.92Å; H66-E70 WeakPolarHBondContact O-CB 3.41Å; H66-E70 PolarHBondContact O-N 3.44Å; H66-F71 HydrophobicContact CB-CD2 4.25Å; H66-F71 HydrophobicContact CB-CE2 4.46Å; H66-F71 PolarHBondContact O-N 3.3Å; H66-I105 HydrophobicContact CB-CD1 4.43Å; H66-D135 IonicContact CD2-OD2 3.91Å; H66-D135 IonicContact CE1-OD2 3.44Å; H66-D135 IonicContact NE2-OD2 2.63Å; H66-D135 PolarHBondContact NE2-OD2 3.41Å |
| 67 | Y | 94.3 | Very high | 90.6 | Very high | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -58.4 | -60.6 | 174.5 | -171.4 | -85.2 | 0 | 0 | 0 | 111.1 | V63 F71 E72 L81 K83 I105 | V63-Y67 VanDerWaalsContact O-CB 3.26Å; V63-Y67 WeakPolarHBondContact O-CB 3.49Å; V63-Y67 PolarHBondContact O-N 2.88Å; Y67-F71 PolarHBondContact O-N 3.41Å; Y67-E72 HydrophobicContact CD1-CB 3.98Å; Y67-E72 HydrophobicContact CE1-CB 3.82Å; Y67-E72 HydrophobicContact CE1-CG 4.02Å; Y67-E72 WeakPolarHBondContact O-CB 3.5Å; Y67-E72 PolarHBondContact O-N 3.32Å; Y67-L81 HydrophobicContact CE2-CB 3.75Å; Y67-L81 PolarHBondContact OH-O 2.94Å; Y67-K83 HydrophobicContact CD1-CD 4.22Å; Y67-K83 HydrophobicContact CD2-CB 3.73Å; Y67-K83 HydrophobicContact CD2-CD 4.34Å; Y67-K83 HydrophobicContact CD2-CG 4.21Å; Y67-K83 HydrophobicContact CE2-CB 4.22Å; Y67-K83 HydrophobicContact CE2-CG 4.37Å; Y67-K83 HydrophobicContact CG-CB 4.16Å; Y67-K83 HydrophobicContact CG-CD 4.07Å; Y67-K83 HydrophobicContact CG-CG 4.44Å; Y67-I105 HydrophobicContact CD2-CD1 4.14Å |
| 68 | T | 91.1 | Very high | 90.5 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -74 | -35.3 | -168.4 | -43.5 | 0 | 0 | 0 | 0 | 113 | D64 P73 | D64-T68 WeakPolarHBondContact O-CB 3.41Å; D64-T68 PolarHBondContact O-N 3.14Å; D64-T68 PolarHBondContact O-OG1 3.3Å; T68-P73 WeakPolarHBondContact O-CD 3.37Å; T68-P73 WeakPolarHBondContact O-CG 3.36Å |
| 69 | K | 88.1 | Confident | 90.9 | Very high | 77 Ų | 77 | 44.1 Ų | 44.1 | 34% | 0.335 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -91.8 | -27.6 | -175.1 | -67.7 | -173.1 | 166 | -174.6 | 0 | 114.1 | Q65 D448 | Q65-K69 HydrophobicContact CG-CD 4.12Å; Q65-K69 VanDerWaalsContact O-CB 3.28Å; Q65-K69 WeakPolarHBondContact O-CB 3.49Å; Q65-K69 PolarHBondContact O-N 3.27Å; K69-D448 IonicContact NZ-OD2 3.02Å; K69-D448 PolarHBondContact NZ-OD2 3Å |
| 70 | E | 92.4 | Very high | 91.5 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -124.8 | -61.1 | -167.1 | -64.4 | -69.3 | 161.2 | 0 | 0 | 111.5 | T34 R35 V38 H66 Y74 | T34-E70 HydrophobicContact CG2-CB 3.9Å; T34-E70 HydrophobicContact CG2-CG 3.75Å; R35-E70 IonicContact CZ-OE2 2.65Å; R35-E70 IonicContact NE-OE1 3.42Å; R35-E70 IonicContact NE-OE2 3.61Å; R35-E70 PolarHBondContact NE-OE2 2.89Å; R35-E70 IonicContact NH2-OE1 2.8Å; R35-E70 PolarHBondContact NH2-OE1 3.43Å; R35-E70 IonicContact NH2-OE2 3.48Å; R35-E70 PolarHBondContact NH2-OE2 2.87Å; R35-E70 VanDerWaalsContact NH2-OE2 3.15Å; V38-E70 HydrophobicContact CG2-CB 3.95Å; H66-E70 WeakPolarHBondContact O-CB 3.41Å; H66-E70 PolarHBondContact O-N 3.44Å; E70-Y74 WeakPolarHBondContact O-CD2 3.4Å |
| 71 | F | 95.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -75.5 | -50.4 | -171.2 | -78.3 | -99.2 | 0 | 0 | 0 | 113.7 | T34 V38 A41 V55 H66 Y67 Y74 L75 L81 V103 I105 I133 | T34-F71 HydrophobicContact CG2-CE2 4.14Å; V38-F71 HydrophobicContact CG2-CD1 4.09Å; V38-F71 HydrophobicContact CG2-CD2 3.73Å; V38-F71 HydrophobicContact CG2-CE1 4.05Å; V38-F71 HydrophobicContact CG2-CE2 3.69Å; V38-F71 HydrophobicContact CG2-CG 3.93Å; V38-F71 HydrophobicContact CG2-CZ 3.85Å; A41-F71 HydrophobicContact CB-CE1 4.21Å; V55-F71 HydrophobicContact CB-CZ 4.49Å; V55-F71 HydrophobicContact CG1-CE2 4.31Å; V55-F71 HydrophobicContact CG1-CZ 4.18Å; V55-F71 HydrophobicContact CG2-CD1 4.44Å; V55-F71 HydrophobicContact CG2-CE1 3.65Å; V55-F71 HydrophobicContact CG2-CE2 4.27Å; V55-F71 HydrophobicContact CG2-CZ 3.55Å; H66-F71 HydrophobicContact CB-CD2 4.25Å; H66-F71 HydrophobicContact CB-CE2 4.46Å; H66-F71 PolarHBondContact O-N 3.3Å; Y67-F71 PolarHBondContact O-N 3.41Å; F71-Y74 PolarHBondContact O-N 3.31Å; F71-L75 HydrophobicContact CD1-CD1 3.89Å; F71-L75 WeakPolarHBondContact O-CB 3.49Å; F71-L75 PolarHBondContact O-N 3.16Å; F71-L81 VanDerWaalsContact C-CD2 3.49Å; F71-L81 HydrophobicContact CB-CD2 3.93Å; F71-L81 WeakPolarHBondContact O-CD2 3.33Å; F71-V103 HydrophobicContact CD1-CG1 3.92Å; F71-V103 HydrophobicContact CE1-CG1 4.32Å; F71-I105 HydrophobicContact CB-CD1 3.7Å; F71-I105 HydrophobicContact CD1-CD1 4.37Å; F71-I105 HydrophobicContact CD2-CD1 3.69Å; F71-I105 HydrophobicContact CE2-CD1 4.43Å; F71-I105 HydrophobicContact CG-CD1 3.66Å; F71-I133 HydrophobicContact CZ-CD1 4.39Å |
| 72 | E | 95.8 | Very high | 93 | Very high | 83 Ų | 83 | 48 Ų | 48 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | -178.3 | 178.3 | -161.2 | -136.6 | 0 | 0 | 112.6 | Y67 Y74 G76 L81 | Y67-E72 HydrophobicContact CD1-CB 3.98Å; Y67-E72 HydrophobicContact CE1-CB 3.82Å; Y67-E72 HydrophobicContact CE1-CG 4.02Å; Y67-E72 WeakPolarHBondContact O-CB 3.5Å; Y67-E72 PolarHBondContact O-N 3.32Å; E72-Y74 PolarHBondContact O-N 2.84Å; E72-Y74 VanDerWaalsContact O-N 3.12Å; E72-G76 WeakPolarHBondContact O-CA 3.32Å; E72-G76 PolarHBondContact O-N 3.42Å; E72-L81 HydrophobicContact CB-CD2 4.32Å |
| 73 | P | 94.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62 | -24.7 | -177.7 | -26.1 | 36.6 | 0 | 0 | 0 | 115.1 | T68 | T68-P73 WeakPolarHBondContact O-CD 3.37Å; T68-P73 WeakPolarHBondContact O-CG 3.36Å |
| 74 | Y | 93.9 | Very high | 93.4 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -110.6 | -18.8 | -174.8 | -57.7 | -58.8 | 0 | 0 | 0 | 114.5 | F4 R35 V38 E70 F71 E72 | F4-Y74 HydrophobicContact CB-CD1 4.26Å; F4-Y74 AromaticContact CD2-CD1 3.28Å; F4-Y74 HydrophobicContact CD2-CD1 3.28Å; F4-Y74 AromaticContact CD2-CD2 3.75Å; F4-Y74 HydrophobicContact CD2-CD2 3.75Å; F4-Y74 AromaticContact CD2-CE1 3.71Å; F4-Y74 HydrophobicContact CD2-CE1 3.71Å; F4-Y74 HydrophobicContact CD2-CE2 4.23Å; F4-Y74 AromaticContact CD2-CG 3.33Å; F4-Y74 HydrophobicContact CD2-CG 3.33Å; F4-Y74 AromaticContact CE2-CD1 3.92Å; F4-Y74 HydrophobicContact CE2-CD1 3.92Å; F4-Y74 AromaticContact CE2-CD2 3.49Å; F4-Y74 HydrophobicContact CE2-CD2 3.49Å; F4-Y74 VanDerWaalsContact CE2-CD2 3.49Å; F4-Y74 HydrophobicContact CE2-CE1 4.42Å; F4-Y74 HydrophobicContact CE2-CE2 4.14Å; F4-Y74 AromaticContact CE2-CG 3.45Å; F4-Y74 HydrophobicContact CE2-CG 3.45Å; F4-Y74 VanDerWaalsContact CE2-CG 3.45Å; F4-Y74 HydrophobicContact CG-CD1 4.13Å; F4-Y74 HydrophobicContact CG-CG 4.36Å; R35-Y74 VanDerWaalsContact CZ-OH 3.24Å; R35-Y74 PolarHBondContact NH1-OH 2.98Å; R35-Y74 PolarHBondContact NH2-OH 3.26Å; V38-Y74 HydrophobicContact CG1-CD2 4.31Å; E70-Y74 WeakPolarHBondContact O-CD2 3.4Å; F71-Y74 PolarHBondContact O-N 3.31Å; E72-Y74 PolarHBondContact O-N 2.84Å; E72-Y74 VanDerWaalsContact O-N 3.12Å |
| 75 | L | 95.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -121.1 | -20.5 | -178.7 | -57.9 | -179.8 | 0 | 0 | 0 | 113.8 | V38 A41 R42 L45 F71 S77 G78 Y79 L81 V103 | V38-L75 HydrophobicContact CG1-CD1 4.29Å; V38-L75 HydrophobicContact CG1-CG 4.19Å; A41-L75 HydrophobicContact CB-CD1 4.38Å; R42-L75 HydrophobicContact CB-CD2 3.62Å; R42-L75 HydrophobicContact CG-CD2 3.65Å; L45-L75 HydrophobicContact CD1-CD1 4.33Å; F71-L75 HydrophobicContact CD1-CD1 3.89Å; F71-L75 WeakPolarHBondContact O-CB 3.49Å; F71-L75 PolarHBondContact O-N 3.16Å; L75-S77 PolarHBondContact O-N 3.5Å; L75-S77 VanDerWaalsContact O-N 3.14Å; L75-G78 PolarHBondContact O-N 2.93Å; L75-Y79 HydrophobicContact CB-CD2 4.26Å; L75-Y79 HydrophobicContact CD2-CD2 4.31Å; L75-Y79 HydrophobicContact CD2-CE2 4.47Å; L75-Y79 PolarHBondContact O-N 3.15Å; L75-L81 HydrophobicContact CB-CD1 3.98Å; L75-L81 HydrophobicContact CB-CD2 4.15Å; L75-V103 HydrophobicContact CD1-CG2 4.36Å |
| 76 | G | 92 | Very high | 92.6 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E72 | E72-G76 WeakPolarHBondContact O-CA 3.32Å; E72-G76 PolarHBondContact O-N 3.42Å |
| 77 | S | 91.9 | Very high | 91.5 | Very high | 110 Ų | 110 | 52.1 Ų | 52.1 | 77% | 0.769 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20.1 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | L75 | L75-S77 PolarHBondContact O-N 3.5Å; L75-S77 VanDerWaalsContact O-N 3.14Å |
| 78 | G | 93.3 | Very high | 90.7 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -18.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | L75 | L75-G78 PolarHBondContact O-N 2.93Š|
| 79 | Y | 96.8 | Very high | 90.1 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -139.5 | 153.5 | -171 | -59.5 | -75.7 | 0 | 0 | 0 | 111.3 | L45 L75 L81 D102 | L45-Y79 HydrophobicContact CB-CD1 4.29Å; L45-Y79 HydrophobicContact CB-CE1 3.62Å; L45-Y79 HydrophobicContact CB-CE2 4.13Å; L45-Y79 HydrophobicContact CD1-CD1 4.15Å; L45-Y79 HydrophobicContact CD1-CD2 3.96Å; L45-Y79 HydrophobicContact CD1-CE1 4.26Å; L45-Y79 HydrophobicContact CD1-CE2 4.06Å; L45-Y79 HydrophobicContact CD1-CG 3.99Å; L45-Y79 HydrophobicContact CD2-CD1 4.11Å; L45-Y79 HydrophobicContact CD2-CE1 4.19Å; L45-Y79 HydrophobicContact CG-CD1 4.43Å; L45-Y79 HydrophobicContact CG-CE1 4.24Å; L75-Y79 HydrophobicContact CB-CD2 4.26Å; L75-Y79 HydrophobicContact CD2-CD2 4.31Å; L75-Y79 HydrophobicContact CD2-CE2 4.47Å; L75-Y79 PolarHBondContact O-N 3.15Å; Y79-L81 VanDerWaalsContact O-CD1 3.29Å; Y79-L81 WeakPolarHBondContact O-CD1 3.41Å; Y79-D102 WeakPolarHBondContact CA-OD2 3.41Å; Y79-D102 HydrophobicContact CD1-CB 4.26Å |
| 80 | K | 97.3 | Very high | 89.9 | Confident | 132 Ų | 132 | 55.4 Ų | 55.4 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | trans | -83.1 | 116 | 174.5 | -66.7 | 180 | -178.7 | 179 | 0 | 110.3 | D100 N101 D102 V103 | K80-D100 VanDerWaalsContact CD-O 3.23Å; K80-D100 WeakPolarHBondContact CD-O 3.43Å; K80-N101 HydrophobicContact CB-CB 4.5Å; K80-D102 PolarHBondContact N-OD2 3.36Å; K80-D102 PolarHBondContact O-N 2.78Å; K80-V103 PolarHBondContact O-N 2.89Å; K80-V103 VanDerWaalsContact O-N 3.11Å | ||
| 81 | L | 97.3 | Very high | 89.3 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.4 | -177.6 | -85.3 | 62.7 | 0 | 0 | 0 | 110.6 | Y67 F71 E72 L75 Y79 V103 | Y67-L81 HydrophobicContact CE2-CB 3.75Å; Y67-L81 PolarHBondContact OH-O 2.94Å; F71-L81 VanDerWaalsContact C-CD2 3.49Å; F71-L81 HydrophobicContact CB-CD2 3.93Å; F71-L81 WeakPolarHBondContact O-CD2 3.33Å; E72-L81 HydrophobicContact CB-CD2 4.32Å; L75-L81 HydrophobicContact CB-CD1 3.98Å; L75-L81 HydrophobicContact CB-CD2 4.15Å; Y79-L81 VanDerWaalsContact O-CD1 3.29Å; Y79-L81 WeakPolarHBondContact O-CD1 3.41Å; L81-V103 WeakPolarHBondContact CA-O 3.43Å; L81-V103 HydrophobicContact CD1-CB 4.03Å; L81-V103 HydrophobicContact CD1-CG2 4.1Å; L81-V103 HydrophobicContact CG-CB 3.9Å; L81-V103 HydrophobicContact CG-CG1 4.32Å; L81-V103 HydrophobicContact CG-CG2 4.45Å |
| 82 | M | 96 | Very high | 88.4 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 20% | 0.202 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.5 | 173.4 | -165.2 | 65.8 | -132 | 0 | 0 | 112.2 | V84 E90 V97 N101 V103 I104 I105 | M82-V84 HydrophobicContact CG-CG2 3.97Å; M82-E90 HydrophobicContact CE-CG 3.95Å; M82-V97 HydrophobicContact CB-CG1 4.15Å; M82-V97 HydrophobicContact CG-CG1 3.75Å; M82-N101 HydrophobicContact CB-CB 4.28Å; M82-V103 PolarHBondContact N-O 3.01Å; M82-I104 WeakPolarHBondContact O-CA 3.29Å; M82-I105 PolarHBondContact O-N 3.12Å |
| 83 | K | 94.6 | Very high | 88 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 32% | 0.317 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.7 | 169.9 | 59.1 | 178.3 | -172.4 | 175.1 | 0 | 110.6 | V63 D64 Y67 I105 | V63-K83 HydrophobicContact CG1-CB 3.66Å; D64-K83 WeakPolarHBondContact OD1-CD 3.32Å; D64-K83 WeakPolarHBondContact OD1-CE 3.44Å; D64-K83 IonicContact OD1-NZ 3.82Å; D64-K83 PolarHBondContact OD1-NZ 3.31Å; Y67-K83 HydrophobicContact CD1-CD 4.22Å; Y67-K83 HydrophobicContact CD2-CB 3.73Å; Y67-K83 HydrophobicContact CD2-CD 4.34Å; Y67-K83 HydrophobicContact CD2-CG 4.21Å; Y67-K83 HydrophobicContact CE2-CB 4.22Å; Y67-K83 HydrophobicContact CE2-CG 4.37Å; Y67-K83 HydrophobicContact CG-CB 4.16Å; Y67-K83 HydrophobicContact CG-CD 4.07Å; Y67-K83 HydrophobicContact CG-CG 4.44Å; K83-I105 WeakPolarHBondContact CA-O 3.34Å |
| 84 | V | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 122 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | M82 E90 K91 F94 V97 I104 I105 C106 I110 | M82-V84 HydrophobicContact CG-CG2 3.97Å; V84-E90 HydrophobicContact CG1-CB 4.46Å; V84-E90 HydrophobicContact CG2-CB 4.18Å; V84-K91 HydrophobicContact CG1-CB 3.91Å; V84-F94 HydrophobicContact CB-CD2 4.37Å; V84-F94 HydrophobicContact CB-CE2 4.05Å; V84-F94 HydrophobicContact CG1-CD2 4.02Å; V84-F94 HydrophobicContact CG1-CE2 4.14Å; V84-F94 HydrophobicContact CG2-CD2 4.22Å; V84-F94 HydrophobicContact CG2-CE2 4Å; V84-V97 HydrophobicContact CG2-CG1 4.09Å; V84-I104 HydrophobicContact CG2-CG2 4.33Å; V84-I105 PolarHBondContact N-O 3.27Å; V84-C106 HydrophobicContact CB-CB 4.1Å; V84-C106 WeakPolarHBondContact O-CA 3.49Å; V84-C106 VanDerWaalsContact O-CB 3.25Å; V84-C106 WeakPolarHBondContact O-CB 3.42Å; V84-I110 HydrophobicContact CG1-CG2 4.11Å |
| 85 | S | 85.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | trans | -121.6 | -179.8 | 174.8 | 81.6 | 0 | 0 | 0 | 0 | 111.5 | V60 D87 S88 | V60-S85 VanDerWaalsContact CG1-CB 3.5Å; S85-D87 PolarHBondContact O-N 2.61Å; S85-D87 VanDerWaalsContact O-N 3.14Å; S85-D87 PolarHBondContact OG-N 3.17Å; S85-S88 PolarHBondContact N-OG 3.37Å; S85-S88 WeakPolarHBondContact O-CB 3.3Å; S85-S88 PolarHBondContact O-N 3.1Å | ||
| 86 | G | 74.1 | Confident | 87.6 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K91 R600 | G86-K91 PolarHBondContact O-NZ 3.29Å; G86-R600 PolarHBondContact O-NH1 3.27Å |
| 87 | D | 69.4 | Low | 87.7 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -11.7 | -175.6 | -62.4 | -5.2 | 0 | 0 | 0 | 112.4 | S85 Q419 | S85-D87 PolarHBondContact O-N 2.61Å; S85-D87 VanDerWaalsContact O-N 3.14Å; S85-D87 PolarHBondContact OG-N 3.17Å; D87-Q419 PolarHBondContact OD1-NE2 2.84Å; D87-Q419 PolarHBondContact OD2-NE2 2.92Å; D87-Q419 PolarHBondContact OD2-OE1 3.26Å; D87-Q419 VanDerWaalsContact OD2-OE1 3.04Å |
| 88 | S | 77.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | trans | -67.6 | 142.9 | 172.6 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | S85 E90 K91 | S85-S88 PolarHBondContact N-OG 3.37Å; S85-S88 WeakPolarHBondContact O-CB 3.3Å; S85-S88 PolarHBondContact O-N 3.1Å; S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 WeakPolarHBondContact CB-OE2 3.47Å; S88-K91 WeakPolarHBondContact O-CD 3.39Å; S88-K91 VanDerWaalsContact O-CE 3.31Å; S88-K91 WeakPolarHBondContact O-CE 3.47Å; S88-K91 VanDerWaalsContact O-CG 3.26Å; S88-K91 WeakPolarHBondContact O-CG 3.41Å | ||
| 89 | Q | 78.3 | Confident | 87.9 | Confident | 164 Ų | 164 | 53.9 Ų | 53.9 | 77% | 0.766 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -75.5 | -26.3 | 170.6 | -68.9 | -176.9 | -7.2 | 0 | 0 | 111 | K91 D92 | Q89-K91 PolarHBondContact O-N 2.88Å; Q89-K91 VanDerWaalsContact O-N 3.07Å; Q89-D92 WeakPolarHBondContact O-CB 3.46Å; Q89-D92 PolarHBondContact O-N 3.33Å |
| 90 | E | 84.1 | Confident | 87.8 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.341 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -59 | -22.4 | 179.4 | -64.8 | 85.2 | 171.5 | 0 | 0 | 113 | M82 V84 S88 D92 F93 F94 V97 | M82-E90 HydrophobicContact CE-CG 3.95Å; V84-E90 HydrophobicContact CG1-CB 4.46Å; V84-E90 HydrophobicContact CG2-CB 4.18Å; S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 WeakPolarHBondContact CB-OE2 3.47Å; E90-D92 PolarHBondContact O-N 2.72Å; E90-F93 CarbonylContact O-C 3.47Å; E90-F93 PolarHBondContact O-N 3.07Å; E90-F94 PolarHBondContact O-N 3.43Å; E90-V97 HydrophobicContact CB-CG2 3.99Å; E90-V97 WeakPolarHBondContact O-CG2 3.32Å |
| 91 | K | 79.2 | Confident | 87.8 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -63 | -26.5 | 175.6 | 76.4 | -168.3 | 172.5 | -159.1 | 0 | 112.7 | V84 G86 S88 Q89 F93 F94 I110 | V84-K91 HydrophobicContact CG1-CB 3.91Å; G86-K91 PolarHBondContact O-NZ 3.29Å; S88-K91 WeakPolarHBondContact O-CD 3.39Å; S88-K91 VanDerWaalsContact O-CE 3.31Å; S88-K91 WeakPolarHBondContact O-CE 3.47Å; S88-K91 VanDerWaalsContact O-CG 3.26Å; S88-K91 WeakPolarHBondContact O-CG 3.41Å; Q89-K91 PolarHBondContact O-N 2.88Å; Q89-K91 VanDerWaalsContact O-N 3.07Å; K91-F93 PolarHBondContact O-N 3.32Å; K91-F94 WeakPolarHBondContact O-CB 3.12Å; K91-F94 PolarHBondContact O-N 2.89Å; K91-I110 HydrophobicContact CB-CD1 3.92Å |
| 92 | D | 78.7 | Confident | 87.9 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -80.2 | -11.7 | -174.5 | -58.4 | -42.1 | 0 | 0 | 0 | 111.4 | Q89 E90 K122 | Q89-D92 WeakPolarHBondContact O-CB 3.46Å; Q89-D92 PolarHBondContact O-N 3.33Å; E90-D92 PolarHBondContact O-N 2.72Å; D92-K122 WeakPolarHBondContact O-CE 3.32Å; D92-K122 WeakPolarHBondContact O-CG 3.43Å |
| 93 | F | 86.9 | Confident | 88 | Confident | 117 Ų | 117 | 50.2 Ų | 50.2 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -128.2 | 35.4 | 174.1 | -57.6 | -81 | 0 | 0 | 0 | 110.8 | E90 K91 G95 I96 V97 A121 | E90-F93 CarbonylContact O-C 3.47Å; E90-F93 PolarHBondContact O-N 3.07Å; K91-F93 PolarHBondContact O-N 3.32Å; F93-G95 PolarHBondContact O-N 3.36Å; F93-G95 VanDerWaalsContact O-N 3.11Å; F93-I96 HydrophobicContact CB-CB 4.39Å; F93-I96 HydrophobicContact CB-CD1 4.29Å; F93-I96 HydrophobicContact CD1-CD1 4.15Å; F93-I96 WeakPolarHBondContact O-CB 3.44Å; F93-I96 PolarHBondContact O-N 3.45Å; F93-V97 WeakPolarHBondContact O-CG2 3.2Å; F93-V97 PolarHBondContact O-N 2.93Å; F93-A121 CarbonylContact C-O 3.52Å; F93-A121 WeakPolarHBondContact CA-O 3.45Å; F93-A121 HydrophobicContact CD1-CB 4.17Å |
| 94 | F | 92.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -30.2 | -168.9 | -167.6 | -109.5 | 0 | 0 | 0 | 113.4 | M54 V84 E90 K91 V97 V98 I104 C106 I110 L111 A114 V124 | M54-F94 HydrophobicContact CE-CE1 4.18Å; M54-F94 HydrophobicContact CE-CZ 3.88Å; M54-F94 HydrophobicContact SD-CZ 4.15Å; V84-F94 HydrophobicContact CB-CD2 4.37Å; V84-F94 HydrophobicContact CB-CE2 4.05Å; V84-F94 HydrophobicContact CG1-CD2 4.02Å; V84-F94 HydrophobicContact CG1-CE2 4.14Å; V84-F94 HydrophobicContact CG2-CD2 4.22Å; V84-F94 HydrophobicContact CG2-CE2 4Å; E90-F94 PolarHBondContact O-N 3.43Å; K91-F94 WeakPolarHBondContact O-CB 3.12Å; K91-F94 PolarHBondContact O-N 2.89Å; F94-V97 PolarHBondContact O-N 3.44Å; F94-V98 HydrophobicContact CD1-CG2 4.02Å; F94-V98 HydrophobicContact CE1-CG2 3.72Å; F94-V98 HydrophobicContact CE2-CG2 4.39Å; F94-V98 HydrophobicContact CZ-CG2 3.93Å; F94-V98 WeakPolarHBondContact O-CB 3.47Å; F94-V98 VanDerWaalsContact O-CG2 3.27Å; F94-V98 WeakPolarHBondContact O-CG2 3.22Å; F94-V98 PolarHBondContact O-N 3.37Å; F94-I104 HydrophobicContact CE2-CG2 3.97Å; F94-I104 HydrophobicContact CZ-CG2 4.16Å; F94-C106 HydrophobicContact CE2-CB 4.35Å; F94-C106 HydrophobicContact CZ-CB 4.42Å; F94-I110 HydrophobicContact CD1-CG2 4.1Å; F94-I110 HydrophobicContact CD2-CG2 3.52Å; F94-I110 HydrophobicContact CE1-CG2 4.09Å; F94-I110 HydrophobicContact CE2-CG2 3.52Å; F94-I110 HydrophobicContact CG-CG2 3.81Å; F94-I110 HydrophobicContact CZ-CG2 3.8Å; F94-L111 HydrophobicContact CE1-CD1 4.24Å; F94-A114 HydrophobicContact CD1-CB 3.52Å; F94-A114 HydrophobicContact CE1-CB 4.13Å; F94-A114 HydrophobicContact CG-CB 4.49Å; F94-V124 HydrophobicContact CD1-CG2 3.82Å; F94-V124 HydrophobicContact CE1-CG2 4.21Å |
| 95 | G | 91.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F93 V98 Q99 A121 H123 | F93-G95 PolarHBondContact O-N 3.36Å; F93-G95 VanDerWaalsContact O-N 3.11Å; G95-V98 PolarHBondContact O-N 3.41Å; G95-Q99 WeakPolarHBondContact O-CG 3.26Å; G95-Q99 PolarHBondContact O-N 3.11Å; G95-A121 WeakPolarHBondContact CA-O 3.47Å; G95-A121 PolarHBondContact N-O 2.78Å; G95-H123 WeakPolarHBondContact CA-O 3.44Å |
| 96 | I | 92.1 | Very high | 89 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64 | -44.6 | 176.4 | -56.6 | 177.4 | 0 | 0 | 0 | 110.4 | F93 V98 Q99 D100 A121 | F93-I96 HydrophobicContact CB-CB 4.39Å; F93-I96 HydrophobicContact CB-CD1 4.29Å; F93-I96 HydrophobicContact CD1-CD1 4.15Å; F93-I96 WeakPolarHBondContact O-CB 3.44Å; F93-I96 PolarHBondContact O-N 3.45Å; I96-V98 VanDerWaalsContact C-N 3.28Å; I96-V98 PolarHBondContact O-N 2.77Å; I96-Q99 WeakPolarHBondContact O-CA 2.98Å; I96-Q99 WeakPolarHBondContact O-CB 3.43Å; I96-Q99 PolarHBondContact O-N 2.94Å; I96-D100 PolarHBondContact O-N 2.85Å; I96-A121 HydrophobicContact CD1-CB 4.15Å; I96-A121 PolarHBondContact N-O 2.72Å |
| 97 | V | 94 | Very high | 90 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | M82 V84 E90 F93 F94 Q99 D100 N101 | M82-V97 HydrophobicContact CB-CG1 4.15Å; M82-V97 HydrophobicContact CG-CG1 3.75Å; V84-V97 HydrophobicContact CG2-CG1 4.09Å; E90-V97 HydrophobicContact CB-CG2 3.99Å; E90-V97 WeakPolarHBondContact O-CG2 3.32Å; F93-V97 WeakPolarHBondContact O-CG2 3.2Å; F93-V97 PolarHBondContact O-N 2.93Å; F94-V97 PolarHBondContact O-N 3.44Å; V97-Q99 VanDerWaalsContact C-N 3.34Å; V97-D100 PolarHBondContact O-N 2.85Å; V97-N101 WeakPolarHBondContact O-CB 3.25Å; V97-N101 PolarHBondContact O-N 3.2Å; V97-N101 PolarHBondContact O-ND2 3.06Å |
| 98 | V | 95.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.3 | 168.8 | 0 | 0 | 0 | 0 | 110 | K52 M54 F94 G95 I96 D100 I104 V124 | K52-V98 HydrophobicContact CD-CG1 3.71Å; K52-V98 VanDerWaalsContact CD-O 3.27Å; K52-V98 WeakPolarHBondContact CD-O 3.35Å; K52-V98 VanDerWaalsContact CE-O 3.31Å; K52-V98 WeakPolarHBondContact CE-O 3.38Å; K52-V98 PolarHBondContact NZ-O 3.07Å; M54-V98 HydrophobicContact CE-CG2 3.68Å; F94-V98 HydrophobicContact CD1-CG2 4.02Å; F94-V98 HydrophobicContact CE1-CG2 3.72Å; F94-V98 HydrophobicContact CE2-CG2 4.39Å; F94-V98 HydrophobicContact CZ-CG2 3.93Å; F94-V98 WeakPolarHBondContact O-CB 3.47Å; F94-V98 VanDerWaalsContact O-CG2 3.27Å; F94-V98 WeakPolarHBondContact O-CG2 3.22Å; F94-V98 PolarHBondContact O-N 3.37Å; G95-V98 PolarHBondContact O-N 3.41Å; I96-V98 VanDerWaalsContact C-N 3.28Å; I96-V98 PolarHBondContact O-N 2.77Å; V98-D100 PolarHBondContact O-N 3.33Å; V98-I104 HydrophobicContact CG2-CD1 4.46Å; V98-V124 HydrophobicContact CB-CG2 4.12Å; V98-V124 HydrophobicContact CG1-CG1 4.32Å; V98-V124 HydrophobicContact CG1-CG2 4.43Å; V98-V124 HydrophobicContact CG2-CG2 3.89Å |
| 99 | Q | 93.4 | Very high | 91.9 | Very high | 132 Ų | 132 | 45.5 Ų | 45.5 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.2 | -44 | 177.9 | -70.9 | 174.3 | 2.1 | 0 | 0 | 113 | K52 G95 I96 V97 N101 | K52-Q99 PolarHBondContact NZ-O 2.93Å; G95-Q99 WeakPolarHBondContact O-CG 3.26Å; G95-Q99 PolarHBondContact O-N 3.11Å; I96-Q99 WeakPolarHBondContact O-CA 2.98Å; I96-Q99 WeakPolarHBondContact O-CB 3.43Å; I96-Q99 PolarHBondContact O-N 2.94Å; V97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-N101 PolarHBondContact O-N 3.05Å |
| 100 | D | 95.3 | Very high | 92.6 | Very high | 98 Ų | 98 | 38.5 Ų | 38.5 | 52% | 0.524 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -80.9 | -12.7 | -171.7 | -73.7 | -18.8 | 0 | 0 | 0 | 115.6 | K80 I96 V97 V98 | K80-D100 VanDerWaalsContact CD-O 3.23Å; K80-D100 WeakPolarHBondContact CD-O 3.43Å; I96-D100 PolarHBondContact O-N 2.85Å; V97-D100 PolarHBondContact O-N 2.85Å; V98-D100 PolarHBondContact O-N 3.33Å |
| 101 | N | 97.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | trans | -120.4 | 149.9 | -174.6 | -65 | -84.7 | 0 | 0 | 0 | 112.5 | K52 K80 M82 V97 Q99 I104 | K52-N101 WeakPolarHBondContact CE-O 3.17Å; K52-N101 PolarHBondContact NZ-O 3.14Å; K80-N101 HydrophobicContact CB-CB 4.5Å; M82-N101 HydrophobicContact CB-CB 4.28Å; V97-N101 WeakPolarHBondContact O-CB 3.25Å; V97-N101 PolarHBondContact O-N 3.2Å; V97-N101 PolarHBondContact O-ND2 3.06Å; Q99-N101 PolarHBondContact O-N 3.05Å; N101-I104 HydrophobicContact CB-CD1 4.09Å; N101-I104 HydrophobicContact CB-CG1 4.08Å | ||
| 102 | D | 98.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 35.1 Ų | 35.1 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -87.3 | -36.1 | 179.3 | -54.2 | -54.9 | 0 | 0 | 0 | 111.3 | L45 V53 Y79 K80 | L45-D102 HydrophobicContact CD2-CB 4.09Å; V53-D102 PolarHBondContact N-O 2.89Å; Y79-D102 WeakPolarHBondContact CA-OD2 3.41Å; Y79-D102 HydrophobicContact CD1-CB 4.26Å; K80-D102 PolarHBondContact N-OD2 3.36Å; K80-D102 PolarHBondContact O-N 2.78Å |
| 103 | V | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124 | -178 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | L45 V53 F71 L75 K80 L81 M82 | L45-V103 HydrophobicContact CD1-CG2 3.69Å; L45-V103 HydrophobicContact CD2-CG2 4.39Å; V53-V103 HydrophobicContact CB-CG1 4.41Å; V53-V103 HydrophobicContact CB-CG2 4.19Å; V53-V103 CarbonylContact O-C 3.38Å; V53-V103 WeakPolarHBondContact O-CA 3.42Å; F71-V103 HydrophobicContact CD1-CG1 3.92Å; F71-V103 HydrophobicContact CE1-CG1 4.32Å; L75-V103 HydrophobicContact CD1-CG2 4.36Å; K80-V103 PolarHBondContact O-N 2.89Å; K80-V103 VanDerWaalsContact O-N 3.11Å; L81-V103 WeakPolarHBondContact CA-O 3.43Å; L81-V103 HydrophobicContact CD1-CB 4.03Å; L81-V103 HydrophobicContact CD1-CG2 4.1Å; L81-V103 HydrophobicContact CG-CB 3.9Å; L81-V103 HydrophobicContact CG-CG1 4.32Å; L81-V103 HydrophobicContact CG-CG2 4.45Å; M82-V103 PolarHBondContact N-O 3.01Å |
| 104 | I | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.1 | 179.4 | -57.4 | 89.7 | 0 | 0 | 0 | 109.3 | K52 V53 M54 V55 M82 V84 F94 V98 N101 C106 | K52-I104 HydrophobicContact CG-CD1 4.43Å; V53-I104 PolarHBondContact O-N 2.99Å; M54-I104 CarbonylContact C-O 3.49Å; M54-I104 WeakPolarHBondContact CA-O 3.49Å; M54-I104 HydrophobicContact CE-CB 4Å; M54-I104 HydrophobicContact CE-CD1 4.44Å; M54-I104 HydrophobicContact CE-CG2 4.22Å; M54-I104 HydrophobicContact SD-CB 3.78Å; M54-I104 HydrophobicContact SD-CG2 3.82Å; V55-I104 PolarHBondContact N-O 3.19Å; M82-I104 WeakPolarHBondContact O-CA 3.29Å; V84-I104 HydrophobicContact CG2-CG2 4.33Å; F94-I104 HydrophobicContact CE2-CG2 3.97Å; F94-I104 HydrophobicContact CZ-CG2 4.16Å; V98-I104 HydrophobicContact CG2-CD1 4.46Å; N101-I104 HydrophobicContact CB-CD1 4.09Å; N101-I104 HydrophobicContact CB-CG1 4.08Å; I104-C106 HydrophobicContact CG2-CB 4.46Å |
| 105 | I | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.2 | 173.6 | -51.3 | 177.7 | 0 | 0 | 0 | 108 | V55 V63 H66 Y67 F71 M82 K83 V84 | V55-I105 HydrophobicContact CB-CB 4.37Å; V55-I105 HydrophobicContact CB-CG1 4.06Å; V55-I105 HydrophobicContact CB-CG2 4.26Å; V55-I105 HydrophobicContact CG1-CG2 4.39Å; V55-I105 HydrophobicContact CG2-CG1 4.16Å; V55-I105 WeakPolarHBondContact O-CA 3.44Å; V63-I105 HydrophobicContact CG1-CG2 4.22Å; H66-I105 HydrophobicContact CB-CD1 4.43Å; Y67-I105 HydrophobicContact CD2-CD1 4.14Å; F71-I105 HydrophobicContact CB-CD1 3.7Å; F71-I105 HydrophobicContact CD1-CD1 4.37Å; F71-I105 HydrophobicContact CD2-CD1 3.69Å; F71-I105 HydrophobicContact CE2-CD1 4.43Å; F71-I105 HydrophobicContact CG-CD1 3.66Å; M82-I105 PolarHBondContact O-N 3.12Å; K83-I105 WeakPolarHBondContact CA-O 3.34Å; V84-I105 PolarHBondContact N-O 3.27Å |
| 106 | C | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 162.1 | -177.7 | 72.6 | 0 | 0 | 0 | 0 | 114 | M54 V55 L56 V57 V84 F94 I104 I110 | M54-C106 VanDerWaalsContact SD-SG 3.64Å; V55-C106 PolarHBondContact O-N 2.87Å; L56-C106 WeakPolarHBondContact CA-O 3.47Å; V57-C106 PolarHBondContact N-O 2.81Å; V84-C106 HydrophobicContact CB-CB 4.1Å; V84-C106 WeakPolarHBondContact O-CA 3.49Å; V84-C106 VanDerWaalsContact O-CB 3.25Å; V84-C106 WeakPolarHBondContact O-CB 3.42Å; F94-C106 HydrophobicContact CE2-CB 4.35Å; F94-C106 HydrophobicContact CZ-CB 4.42Å; I104-C106 HydrophobicContact CG2-CB 4.46Å; C106-I110 HydrophobicContact CB-CB 4.43Å |
| 107 | T | 93.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.6 | 168.4 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | V57 V60 V63 Q109 I110 | V57-T107 HydrophobicContact CG2-CG2 4.27Å; V57-T107 WeakPolarHBondContact O-CA 3.5Å; V60-T107 HydrophobicContact CB-CG2 4.43Å; V60-T107 HydrophobicContact CG2-CG2 3.83Å; V63-T107 HydrophobicContact CG2-CG2 3.95Å; T107-Q109 PolarHBondContact O-N 2.79Å; T107-I110 WeakPolarHBondContact O-CB 3.37Å; T107-I110 PolarHBondContact O-N 2.92Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.42Å |
| 108 | A | 95.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -47.8 | -37.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | V57 I110 L111 Y112 V145 Y146 I149 | V57-A108 PolarHBondContact O-N 3.46Å; V57-A108 VanDerWaalsContact O-N 3.1Å; A108-I110 PolarHBondContact O-N 2.9Å; A108-L111 PolarHBondContact O-N 3.41Å; A108-Y112 PolarHBondContact O-N 3.41Å; A108-V145 HydrophobicContact CB-CB 4.01Å; A108-V145 HydrophobicContact CB-CG1 3.67Å; A108-Y146 HydrophobicContact CB-CD1 3.49Å; A108-Y146 VanDerWaalsContact CB-CD1 3.49Å; A108-Y146 HydrophobicContact CB-CE1 3.44Å; A108-Y146 VanDerWaalsContact CB-CE1 3.44Å; A108-I149 HydrophobicContact CB-CD1 4.28Å; A108-I149 WeakPolarHBondContact O-CD1 3.47Å |
| 109 | Q | 91.6 | Very high | 93.3 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -29.7 | -177.2 | -170.1 | 64.7 | 56 | 0 | 0 | 112.5 | T107 N113 V145 | T107-Q109 PolarHBondContact O-N 2.79Å; Q109-N113 PolarHBondContact NE2-OD1 3.12Å; Q109-N113 WeakPolarHBondContact O-CB 3.46Å; Q109-N113 PolarHBondContact O-N 2.75Å; Q109-N113 PolarHBondContact O-OD1 3.02Å; Q109-V145 VanDerWaalsContact OE1-CG2 3.22Å |
| 110 | I | 92.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.087 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -51.9 | 177.6 | -60.6 | -66.5 | 0 | 0 | 0 | 109.7 | V84 K91 F94 C106 T107 A108 Y112 N113 A114 | V84-I110 HydrophobicContact CG1-CG2 4.11Å; K91-I110 HydrophobicContact CB-CD1 3.92Å; F94-I110 HydrophobicContact CD1-CG2 4.1Å; F94-I110 HydrophobicContact CD2-CG2 3.52Å; F94-I110 HydrophobicContact CE1-CG2 4.09Å; F94-I110 HydrophobicContact CE2-CG2 3.52Å; F94-I110 HydrophobicContact CG-CG2 3.81Å; F94-I110 HydrophobicContact CZ-CG2 3.8Å; C106-I110 HydrophobicContact CB-CB 4.43Å; T107-I110 WeakPolarHBondContact O-CB 3.37Å; T107-I110 PolarHBondContact O-N 2.92Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.42Å; A108-I110 PolarHBondContact O-N 2.9Å; I110-Y112 VanDerWaalsContact C-N 3.35Å; I110-Y112 PolarHBondContact O-N 3.34Å; I110-N113 PolarHBondContact O-N 2.86Å; I110-A114 PolarHBondContact O-N 3.26Å |
| 111 | L | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.9 | 179 | 61.7 | 0 | 0 | 0 | 111.4 | M54 L56 F94 A108 N113 A114 L115 V124 I129 L132 I149 | M54-L111 HydrophobicContact CE-CD1 4.47Å; M54-L111 HydrophobicContact CG-CD2 4.21Å; L56-L111 HydrophobicContact CD1-CD2 4.06Å; L56-L111 HydrophobicContact CD2-CB 4.06Å; L56-L111 HydrophobicContact CD2-CD2 3.85Å; L56-L111 HydrophobicContact CG-CD2 4.45Å; F94-L111 HydrophobicContact CE1-CD1 4.24Å; A108-L111 PolarHBondContact O-N 3.41Å; L111-N113 VanDerWaalsContact C-N 3.3Å; L111-N113 PolarHBondContact O-N 3.24Å; L111-A114 PolarHBondContact O-N 3.39Å; L111-A114 VanDerWaalsContact O-N 3.15Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 4.21Å; L111-L115 HydrophobicContact CG-CD1 4.22Å; L111-L115 HydrophobicContact CG-CG 4.29Å; L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.31Å; L111-L115 PolarHBondContact O-N 3.06Å; L111-V124 HydrophobicContact CD1-CG1 4.13Å; L111-I129 HydrophobicContact CD1-CD1 3.98Å; L111-I129 HydrophobicContact CD2-CD1 4.1Å; L111-L132 HydrophobicContact CD2-CD1 4.12Å; L111-I149 HydrophobicContact CB-CD1 4.39Å; L111-I149 HydrophobicContact CD2-CD1 4.28Å; L111-I149 HydrophobicContact CD2-CG2 4.21Å; L111-I149 HydrophobicContact CG-CD1 4.45Å |
| 112 | Y | 95.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 179.3 | -176.2 | -115.1 | 0 | 0 | 0 | 112.7 | A108 I110 L116 V145 K148 I149 | A108-Y112 PolarHBondContact O-N 3.41Å; I110-Y112 VanDerWaalsContact C-N 3.35Å; I110-Y112 PolarHBondContact O-N 3.34Å; Y112-L116 HydrophobicContact CD1-CD1 4.24Å; Y112-L116 HydrophobicContact CE1-CD1 3.64Å; Y112-L116 HydrophobicContact CE2-CD1 4.08Å; Y112-L116 HydrophobicContact CE2-CG 4.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.48Å; Y112-L116 PolarHBondContact O-N 3.06Å; Y112-V145 HydrophobicContact CD1-CG1 4.49Å; Y112-V145 HydrophobicContact CG-CG1 4.2Å; Y112-K148 HydrophobicContact CD2-CB 3.95Å; Y112-K148 HydrophobicContact CE1-CD 3.85Å; Y112-K148 HydrophobicContact CE2-CB 3.56Å; Y112-K148 HydrophobicContact CE2-CD 4.22Å; Y112-K148 HydrophobicContact CE2-CG 4.44Å; Y112-I149 HydrophobicContact CD2-CG1 4.08Å; Y112-I149 HydrophobicContact CG-CG1 4.43Å |
| 113 | N | 90.8 | Very high | 91.5 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -43 | 174.3 | -71.6 | -5.3 | 0 | 0 | 0 | 111.4 | Q109 I110 L111 L115 L116 N117 | Q109-N113 PolarHBondContact NE2-OD1 3.12Å; Q109-N113 WeakPolarHBondContact O-CB 3.46Å; Q109-N113 PolarHBondContact O-N 2.75Å; Q109-N113 PolarHBondContact O-OD1 3.02Å; I110-N113 PolarHBondContact O-N 2.86Å; L111-N113 VanDerWaalsContact C-N 3.3Å; L111-N113 PolarHBondContact O-N 3.24Å; N113-L115 PolarHBondContact O-N 2.9Å; N113-L116 PolarHBondContact O-N 3.07Å; N113-L116 VanDerWaalsContact O-N 3.16Å; N113-N117 WeakPolarHBondContact O-CB 3.49Å; N113-N117 PolarHBondContact O-N 3.32Å |
| 114 | A | 93.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | F94 I110 L111 L116 N117 K122 H123 V124 | F94-A114 HydrophobicContact CD1-CB 3.52Å; F94-A114 HydrophobicContact CE1-CB 4.13Å; F94-A114 HydrophobicContact CG-CB 4.49Å; I110-A114 PolarHBondContact O-N 3.26Å; L111-A114 PolarHBondContact O-N 3.39Å; L111-A114 VanDerWaalsContact O-N 3.15Å; A114-L116 PolarHBondContact O-N 2.97Å; A114-N117 PolarHBondContact O-N 2.94Å; A114-K122 VanDerWaalsContact CB-O 3.31Å; A114-K122 WeakPolarHBondContact CB-O 3.46Å; A114-H123 PolarHBondContact O-ND1 2.78Å; A114-V124 HydrophobicContact CB-CB 4.05Å; A114-V124 HydrophobicContact CB-CG2 3.95Å; A114-V124 PolarHBondContact O-N 2.9Å |
| 115 | L | 93.7 | Very high | 91.1 | Very high | 24 Ų | 24 | 53 Ų | 53 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -25.1 | 174.6 | -69.3 | 173.7 | 0 | 0 | 0 | 113.3 | L111 N113 V124 L126 I149 | L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 4.21Å; L111-L115 HydrophobicContact CG-CD1 4.22Å; L111-L115 HydrophobicContact CG-CG 4.29Å; L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.31Å; L111-L115 PolarHBondContact O-N 3.06Å; N113-L115 PolarHBondContact O-N 2.9Å; L115-V124 WeakPolarHBondContact CD2-O 3.36Å; L115-L126 HydrophobicContact CD1-CD2 4.28Å; L115-L126 HydrophobicContact CD2-CD2 4.07Å; L115-L126 HydrophobicContact CD2-CG 3.87Å; L115-I149 HydrophobicContact CD1-CB 4.5Å; L115-I149 HydrophobicContact CD1-CG1 4.18Å; L115-I149 HydrophobicContact CD1-CG2 4.12Å |
| 116 | L | 88.5 | Confident | 91 | Very high | 102 Ų | 102 | 53 Ų | 53 | 53% | 0.534 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -98.9 | -17.3 | -179.7 | -64.8 | -179 | 0 | 0 | 0 | 113.4 | Y112 N113 A114 | Y112-L116 HydrophobicContact CD1-CD1 4.24Å; Y112-L116 HydrophobicContact CE1-CD1 3.64Å; Y112-L116 HydrophobicContact CE2-CD1 4.08Å; Y112-L116 HydrophobicContact CE2-CG 4.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.48Å; Y112-L116 PolarHBondContact O-N 3.06Å; N113-L116 PolarHBondContact O-N 3.07Å; N113-L116 VanDerWaalsContact O-N 3.16Å; A114-L116 PolarHBondContact O-N 2.97Å |
| 117 | N | 85.1 | Confident | 91 | Very high | 45 Ų | 45 | 55 Ų | 55 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | trans | -72.6 | 146.3 | -176.3 | -157.2 | -46.7 | 0 | 0 | 0 | 110.3 | N113 A114 E119 K122 H123 | N113-N117 WeakPolarHBondContact O-CB 3.49Å; N113-N117 PolarHBondContact O-N 3.32Å; A114-N117 PolarHBondContact O-N 2.94Å; N117-E119 WeakPolarHBondContact OD1-CB 3.4Å; N117-E119 PolarHBondContact OD1-N 2.93Å; N117-K122 HydrophobicContact CB-CB 4.19Å; N117-K122 WeakPolarHBondContact ND2-CD 3.3Å; N117-H123 PolarHBondContact O-ND1 2.94Å | ||
| 118 | K | 83.4 | Confident | 91 | Very high | 199 Ų | 199 | 57.8 Ų | 57.8 | 87% | 0.865 | 29% | 0.288 | S | S | * | . | trans | -104 | -15.2 | 177.4 | -62.5 | -178.2 | -178.8 | 176 | 0 | 113.1 | E120 | K118-E120 PolarHBondContact O-N 3.31Š| ||
| 119 | E | 83.3 | Confident | 91.2 | Very high | 106 Ų | 106 | 57.6 Ų | 57.6 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -70.7 | 123 | 174.9 | -66.6 | 169.8 | -146 | 0 | 0 | 109.6 | N117 A121 K122 H123 | N117-E119 WeakPolarHBondContact OD1-CB 3.4Å; N117-E119 PolarHBondContact OD1-N 2.93Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 2.98Å; E119-K122 HydrophobicContact CB-CB 4.49Å; E119-K122 PolarHBondContact O-N 2.8Å; E119-K122 IonicContact OE1-NZ 3.73Å; E119-K122 WeakPolarHBondContact OE2-CD 3.45Å; E119-K122 WeakPolarHBondContact OE2-CE 3.42Å; E119-K122 IonicContact OE2-NZ 3.87Å; E119-K122 PolarHBondContact OE2-NZ 2.9Å; E119-H123 WeakPolarHBondContact O-CB 3.46Å; E119-H123 PolarHBondContact O-N 2.9Å |
| 120 | E | 82.1 | Confident | 91.5 | Very high | 177 Ų | 177 | 55.4 Ų | 55.4 | 83% | 0.827 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -40.2 | -175.1 | -172.4 | 174.1 | -171.4 | 0 | 0 | 112.8 | K118 K122 H123 | K118-E120 PolarHBondContact O-N 3.31Å; E120-K122 PolarHBondContact O-N 3.36Å; E120-H123 PolarHBondContact O-N 3Å |
| 121 | A | 85 | Confident | 91.8 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F93 G95 I96 E119 | F93-A121 CarbonylContact C-O 3.52Å; F93-A121 WeakPolarHBondContact CA-O 3.45Å; F93-A121 HydrophobicContact CD1-CB 4.17Å; G95-A121 WeakPolarHBondContact CA-O 3.47Å; G95-A121 PolarHBondContact N-O 2.78Å; I96-A121 HydrophobicContact CD1-CB 4.15Å; I96-A121 PolarHBondContact N-O 2.72Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 2.98Å |
| 122 | K | 87.2 | Confident | 91.9 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -22.6 | -177.8 | -70.3 | 173.5 | -172.6 | 153.2 | 0 | 112.9 | D92 A114 N117 E119 E120 | D92-K122 WeakPolarHBondContact O-CE 3.32Å; D92-K122 WeakPolarHBondContact O-CG 3.43Å; A114-K122 VanDerWaalsContact CB-O 3.31Å; A114-K122 WeakPolarHBondContact CB-O 3.46Å; N117-K122 HydrophobicContact CB-CB 4.19Å; N117-K122 WeakPolarHBondContact ND2-CD 3.3Å; E119-K122 HydrophobicContact CB-CB 4.49Å; E119-K122 PolarHBondContact O-N 2.8Å; E119-K122 IonicContact OE1-NZ 3.73Å; E119-K122 WeakPolarHBondContact OE2-CD 3.45Å; E119-K122 WeakPolarHBondContact OE2-CE 3.42Å; E119-K122 IonicContact OE2-NZ 3.87Å; E119-K122 PolarHBondContact OE2-NZ 2.9Å; E120-K122 PolarHBondContact O-N 3.36Å |
| 123 | H | 92.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | trans | -69.9 | 140.6 | -172.9 | -176.4 | 65.3 | 0 | 0 | 0 | 111.7 | G95 A114 N117 E119 E120 E125 | G95-H123 WeakPolarHBondContact CA-O 3.44Å; A114-H123 PolarHBondContact O-ND1 2.78Å; N117-H123 PolarHBondContact O-ND1 2.94Å; E119-H123 WeakPolarHBondContact O-CB 3.46Å; E119-H123 PolarHBondContact O-N 2.9Å; E120-H123 PolarHBondContact O-N 3Å; H123-E125 IonicContact CE1-OE1 3.78Å; H123-E125 IonicContact NE2-OE1 3.16Å; H123-E125 PolarHBondContact NE2-OE1 2.91Å | ||
| 124 | V | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -138 | 138.8 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 107.3 | F94 V98 L111 A114 L115 D128 | F94-V124 HydrophobicContact CD1-CG2 3.82Å; F94-V124 HydrophobicContact CE1-CG2 4.21Å; V98-V124 HydrophobicContact CB-CG2 4.12Å; V98-V124 HydrophobicContact CG1-CG1 4.32Å; V98-V124 HydrophobicContact CG1-CG2 4.43Å; V98-V124 HydrophobicContact CG2-CG2 3.89Å; L111-V124 HydrophobicContact CD1-CG1 4.13Å; A114-V124 HydrophobicContact CB-CB 4.05Å; A114-V124 HydrophobicContact CB-CG2 3.95Å; A114-V124 PolarHBondContact O-N 2.9Å; L115-V124 WeakPolarHBondContact CD2-O 3.36Å; V124-D128 HydrophobicContact CG1-CB 4.45Å | ||
| 125 | E | 94.8 | Very high | 92.6 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | trans | -102 | 151.3 | 169.2 | -82.1 | -67.3 | 164.5 | 0 | 0 | 111 | H123 S127 D128 K156 | H123-E125 IonicContact CE1-OE1 3.78Å; H123-E125 IonicContact NE2-OE1 3.16Å; H123-E125 PolarHBondContact NE2-OE1 2.91Å; E125-S127 PolarHBondContact O-N 2.78Å; E125-S127 VanDerWaalsContact O-N 3.14Å; E125-D128 PolarHBondContact N-OD2 2.77Å; E125-D128 WeakPolarHBondContact O-CB 3.5Å; E125-D128 PolarHBondContact O-N 2.77Å; E125-K156 IonicContact OE1-NZ 3.87Å; E125-K156 IonicContact OE2-NZ 2.75Å; E125-K156 PolarHBondContact OE2-NZ 2.97Å | ||
| 126 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -60 | -27.2 | 174.4 | -74.7 | 175.8 | 0 | 0 | 0 | 112 | L115 D128 I129 I149 C152 K156 P165 | L115-L126 HydrophobicContact CD1-CD2 4.28Å; L115-L126 HydrophobicContact CD2-CD2 4.07Å; L115-L126 HydrophobicContact CD2-CG 3.87Å; L126-D128 PolarHBondContact O-N 2.84Å; L126-I129 PolarHBondContact O-N 3.44Å; L126-I149 HydrophobicContact CD2-CG2 4.39Å; L126-C152 HydrophobicContact CD1-CB 4.16Å; L126-K156 HydrophobicContact CB-CD 4.42Å; L126-K156 HydrophobicContact CD1-CD 4.17Å; L126-P165 WeakPolarHBondContact O-CD 3.33Å |
| 127 | S | 95.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -69.3 | -15 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | E125 R163 | E125-S127 PolarHBondContact O-N 2.78Å; E125-S127 VanDerWaalsContact O-N 3.14Å; S127-R163 WeakPolarHBondContact CB-O 3.44Å |
| 128 | D | 95.6 | Very high | 93.6 | Very high | 75 Ų | 75 | 41.2 Ų | 41.2 | 40% | 0.401 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -77.9 | -14.3 | 175.1 | -54.8 | -29.6 | 0 | 0 | 0 | 111.3 | K52 V124 E125 L126 | K52-D128 VanDerWaalsContact CB-O 3.23Å; K52-D128 WeakPolarHBondContact CB-O 3.33Å; K52-D128 WeakPolarHBondContact CD-O 3.41Å; K52-D128 WeakPolarHBondContact CG-O 3.37Å; V124-D128 HydrophobicContact CG1-CB 4.45Å; E125-D128 PolarHBondContact N-OD2 2.77Å; E125-D128 WeakPolarHBondContact O-CB 3.5Å; E125-D128 PolarHBondContact O-N 2.77Å; L126-D128 PolarHBondContact O-N 2.84Å |
| 129 | I | 97.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | trans | -105 | 134 | -179 | -53.2 | 170.7 | 0 | 0 | 0 | 108.4 | M54 L111 L126 L131 L132 P165 | M54-I129 HydrophobicContact CB-CD1 4.02Å; M54-I129 HydrophobicContact CB-CG1 4.37Å; M54-I129 HydrophobicContact CB-CG2 3.77Å; M54-I129 HydrophobicContact CE-CD1 4.14Å; M54-I129 HydrophobicContact CG-CD1 4.18Å; L111-I129 HydrophobicContact CD1-CD1 3.98Å; L111-I129 HydrophobicContact CD2-CD1 4.1Å; L126-I129 PolarHBondContact O-N 3.44Å; I129-L131 WeakPolarHBondContact CG2-O 3.36Å; I129-L132 HydrophobicContact CG2-CB 4.45Å; I129-P165 HydrophobicContact CB-CB 4.22Å; I129-P165 HydrophobicContact CB-CG 4.48Å; I129-P165 HydrophobicContact CG2-CB 3.96Å; I129-P165 WeakPolarHBondContact O-CB 3.48Å | ||
| 130 | T | 98.2 | Very high | 94.7 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -103.5 | -26.8 | 177.3 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | H44 K52 P165 Q166 | H44-T130 WeakPolarHBondContact NE2-CB 3.37Å; H44-T130 PolarHBondContact NE2-OG1 2.95Å; K52-T130 PolarHBondContact N-OG1 3.12Å; K52-T130 PolarHBondContact O-N 3.02Å; K52-T130 PolarHBondContact O-OG1 2.98Å; T130-P165 WeakPolarHBondContact O-CA 3.42Å; T130-Q166 PolarHBondContact O-N 3.41Å |
| 131 | L | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 124.2 | 174.3 | 173.9 | 64.4 | 0 | 0 | 0 | 109.6 | V40 A41 H44 K52 V53 M54 I129 I133 Q166 L168 | V40-L131 HydrophobicContact CG1-CD2 4.25Å; A41-L131 HydrophobicContact CB-CD2 4.47Å; H44-L131 HydrophobicContact CB-CD2 3.92Å; K52-L131 PolarHBondContact O-N 3.03Å; K52-L131 VanDerWaalsContact O-N 3.09Å; V53-L131 WeakPolarHBondContact CA-O 3.33Å; V53-L131 HydrophobicContact CG1-CB 4.5Å; V53-L131 HydrophobicContact CG1-CD2 4.09Å; V53-L131 HydrophobicContact CG1-CG 4.33Å; V53-L131 HydrophobicContact CG2-CB 4.28Å; V53-L131 HydrophobicContact CG2-CD2 4.22Å; M54-L131 PolarHBondContact N-O 2.98Å; I129-L131 WeakPolarHBondContact CG2-O 3.36Å; L131-I133 HydrophobicContact CD1-CG1 4.46Å; L131-I133 HydrophobicContact CD2-CD1 4.11Å; L131-I133 HydrophobicContact CD2-CG1 4.17Å; L131-I133 HydrophobicContact CG-CD1 4.48Å; L131-I133 HydrophobicContact CG-CG1 4Å; L131-Q166 CarbonylContact C-O 3.52Å; L131-Q166 WeakPolarHBondContact CA-O 3.49Å; L131-Q166 HydrophobicContact CD1-CB 3.94Å; L131-Q166 HydrophobicContact CD1-CG 4.04Å; L131-L168 HydrophobicContact CD1-CB 4.22Å |
| 132 | L | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 109.8 | 175.9 | -173.8 | 64.7 | 0 | 0 | 0 | 109.8 | M54 L56 L111 I129 I134 I149 M150 P165 Q166 I167 L168 | M54-L132 HydrophobicContact CB-CD1 3.77Å; M54-L132 HydrophobicContact CG-CD1 3.74Å; M54-L132 WeakPolarHBondContact O-CA 3.45Å; L56-L132 HydrophobicContact CD1-CD1 3.87Å; L56-L132 HydrophobicContact CD1-CD2 4.44Å; L56-L132 HydrophobicContact CD1-CG 4.43Å; L56-L132 HydrophobicContact CD2-CD1 4.3Å; L56-L132 HydrophobicContact CG-CD1 3.76Å; L111-L132 HydrophobicContact CD2-CD1 4.12Å; I129-L132 HydrophobicContact CG2-CB 4.45Å; L132-I134 HydrophobicContact CD2-CD1 4.13Å; L132-I134 HydrophobicContact CD2-CG1 4.4Å; L132-I134 HydrophobicContact CG-CD1 4.36Å; L132-I134 HydrophobicContact CG-CG1 4.11Å; L132-I149 HydrophobicContact CD2-CG2 4.29Å; L132-M150 HydrophobicContact CD2-SD 4.17Å; L132-P165 HydrophobicContact CB-CB 4.14Å; L132-P165 HydrophobicContact CB-CG 4.22Å; L132-Q166 PolarHBondContact N-O 3.14Å; L132-I167 HydrophobicContact CB-CD1 3.89Å; L132-I167 HydrophobicContact CD2-CD1 4.04Å; L132-I167 HydrophobicContact CG-CD1 4.47Å; L132-L168 PolarHBondContact O-N 3.16Å |
| 133 | I | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.5 | 176.4 | -52.6 | -176.8 | 0 | 0 | 0 | 108.3 | A37 A41 V53 M54 V55 L56 F71 L131 L168 L170 | A37-I133 HydrophobicContact CB-CD1 4.32Å; A37-I133 HydrophobicContact CB-CG2 4.09Å; A41-I133 HydrophobicContact CB-CD1 4.08Å; V53-I133 HydrophobicContact CG1-CD1 3.92Å; V53-I133 HydrophobicContact CG1-CG1 4.29Å; M54-I133 PolarHBondContact O-N 3.35Å; V55-I133 CarbonylContact C-O 3.56Å; V55-I133 WeakPolarHBondContact CA-O 2.99Å; V55-I133 HydrophobicContact CG1-CB 4.31Å; V55-I133 HydrophobicContact CG1-CG2 4.31Å; V55-I133 HydrophobicContact CG2-CB 4.29Å; V55-I133 HydrophobicContact CG2-CD1 4.25Å; L56-I133 PolarHBondContact N-O 2.9Å; F71-I133 HydrophobicContact CZ-CD1 4.39Å; L131-I133 HydrophobicContact CD1-CG1 4.46Å; L131-I133 HydrophobicContact CD2-CD1 4.11Å; L131-I133 HydrophobicContact CD2-CG1 4.17Å; L131-I133 HydrophobicContact CG-CD1 4.48Å; L131-I133 HydrophobicContact CG-CG1 4Å; I133-L168 CarbonylContact C-O 3.52Å; I133-L168 VanDerWaalsContact CA-O 3.31Å; I133-L168 WeakPolarHBondContact CA-O 3.44Å; I133-L168 HydrophobicContact CD1-CD2 4.24Å; I133-L168 HydrophobicContact CG1-CB 4.24Å; I133-L168 HydrophobicContact CG1-CD2 4.19Å; I133-L168 HydrophobicContact CG2-CD2 4.32Å; I133-L170 HydrophobicContact CG2-CD1 4Å; I133-L170 HydrophobicContact CG2-CG 4.32Å |
| 134 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 107.6 | -178.8 | -55.7 | 178.9 | 0 | 0 | 0 | 108.6 | L56 L132 C137 Y146 M150 L168 L170 L196 | L56-I134 HydrophobicContact CD1-CG1 4.34Å; L132-I134 HydrophobicContact CD2-CD1 4.13Å; L132-I134 HydrophobicContact CD2-CG1 4.4Å; L132-I134 HydrophobicContact CG-CD1 4.36Å; L132-I134 HydrophobicContact CG-CG1 4.11Å; I134-C137 HydrophobicContact CB-CB 4.2Å; I134-C137 HydrophobicContact CG2-CB 3.91Å; I134-C137 WeakPolarHBondContact O-CB 3.34Å; I134-Y146 HydrophobicContact CG2-CD1 3.98Å; I134-Y146 HydrophobicContact CG2-CD2 3.7Å; I134-Y146 HydrophobicContact CG2-CE1 3.93Å; I134-Y146 HydrophobicContact CG2-CE2 3.66Å; I134-Y146 HydrophobicContact CG2-CG 3.87Å; I134-M150 HydrophobicContact CD1-CG 4.08Å; I134-M150 HydrophobicContact CD1-SD 3.76Å; I134-L168 PolarHBondContact N-O 3.42Å; I134-L170 PolarHBondContact O-N 3.26Å; I134-L196 HydrophobicContact CD1-CD2 3.63Å |
| 135 | D | 97.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 145 | 176 | -167.6 | 36.1 | 0 | 0 | 0 | 111.4 | L56 V57 H66 C137 Y146 | L56-D135 WeakPolarHBondContact O-CB 3.4Å; L56-D135 PolarHBondContact O-N 2.93Å; V57-D135 HydrophobicContact CG1-CB 4.21Å; H66-D135 IonicContact CD2-OD2 3.91Å; H66-D135 IonicContact CE1-OD2 3.44Å; H66-D135 IonicContact NE2-OD2 2.63Å; H66-D135 PolarHBondContact NE2-OD2 3.41Å; D135-C137 VanDerWaalsContact C-N 3.27Å; D135-C137 PolarHBondContact O-N 3.24Å; D135-Y146 WeakPolarHBondContact O-CE2 3.33Å; D135-Y146 VanDerWaalsContact O-CZ 3.3Å; D135-Y146 PolarHBondContact O-OH 3.06Å |
| 136 | E | 95.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 50.1 | -171.4 | -57.9 | -63.4 | -178.2 | 0 | 0 | 112.1 | H138 H139 L170 Q469 | E136-H138 PolarHBondContact O-N 3.37Å; E136-H138 IonicContact OE2-CE1 3.15Å; E136-H138 PolarHBondContact OE2-CE1 3.06Å; E136-H138 IonicContact OE2-ND1 2.79Å; E136-H138 PolarHBondContact OE2-ND1 2.91Å; E136-H139 PolarHBondContact O-CD2 3.09Å; E136-H139 VanDerWaalsContact O-CD2 3.24Å; E136-H139 PolarHBondContact O-N 3.4Å; E136-H139 VanDerWaalsContact O-N 3.13Å; E136-L170 CarbonylContact C-O 3.58Å; E136-L170 VanDerWaalsContact CA-O 3.27Å; E136-L170 WeakPolarHBondContact CA-O 3.49Å; E136-L170 PolarHBondContact N-O 3.31Å; E136-Q469 PolarHBondContact OE1-NE2 2.95Å; E136-Q469 PolarHBondContact OE2-NE2 3.49Å |
| 137 | C | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -64.9 | -10 | -169 | 75.3 | 0 | 0 | 0 | 0 | 114.5 | I134 D135 H139 T140 L170 L196 | I134-C137 HydrophobicContact CB-CB 4.2Å; I134-C137 HydrophobicContact CG2-CB 3.91Å; I134-C137 WeakPolarHBondContact O-CB 3.34Å; D135-C137 VanDerWaalsContact C-N 3.27Å; D135-C137 PolarHBondContact O-N 3.24Å; C137-H139 PolarHBondContact O-N 3.13Å; C137-T140 WeakPolarHBondContact O-CB 3.48Å; C137-T140 PolarHBondContact O-N 3.02Å; C137-T140 PolarHBondContact O-OG1 2.89Å; C137-L170 PolarHBondContact N-O 3.1Å; C137-L196 HydrophobicContact CB-CD1 3.7Å; C137-L196 HydrophobicContact CB-CD2 4.37Å |
| 138 | H | 95 | Very high | 95.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -61.6 | -18.6 | 172.1 | 61.8 | -98.5 | 0 | 0 | 0 | 112.6 | E136 T140 H141 T171 S173 E445 | E136-H138 PolarHBondContact O-N 3.37Å; E136-H138 IonicContact OE2-CE1 3.15Å; E136-H138 PolarHBondContact OE2-CE1 3.06Å; E136-H138 IonicContact OE2-ND1 2.79Å; E136-H138 PolarHBondContact OE2-ND1 2.91Å; H138-T140 PolarHBondContact O-N 2.65Å; H138-H141 PolarHBondContact O-ND1 3.49Å; H138-T171 PolarHBondContact ND1-OG1 2.71Å; H138-S173 WeakPolarHBondContact CB-O 3.5Å; H138-E445 IonicContact NE2-OE1 3Å; H138-E445 PolarHBondContact NE2-OE1 3.39Å |
| 139 | H | 94.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 25.4 Ų | 25.4 | 23% | 0.231 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -69.2 | -7.3 | 169.7 | -69.5 | -59.5 | 0 | 0 | 0 | 113.7 | N58 E136 C137 H141 S144 Y146 E445 | N58-H139 PolarHBondContact ND2-CD2 3.1Å; N58-H139 VanDerWaalsContact ND2-CD2 3.35Å; N58-H139 PolarHBondContact ND2-NE2 2.92Å; E136-H139 PolarHBondContact O-CD2 3.09Å; E136-H139 VanDerWaalsContact O-CD2 3.24Å; E136-H139 PolarHBondContact O-N 3.4Å; E136-H139 VanDerWaalsContact O-N 3.13Å; C137-H139 PolarHBondContact O-N 3.13Å; H139-H141 PolarHBondContact O-N 2.84Å; H139-S144 WeakPolarHBondContact O-CB 3.44Å; H139-S144 PolarHBondContact O-OG 3.31Å; H139-Y146 HydrophobicContact CB-CD2 3.72Å; H139-Y146 HydrophobicContact CB-CE2 4.01Å; H139-E445 IonicContact CD2-OE2 2.65Å; H139-E445 IonicContact CE1-OE1 3.47Å; H139-E445 IonicContact CE1-OE2 3.45Å; H139-E445 IonicContact NE2-OE1 2.98Å; H139-E445 PolarHBondContact NE2-OE1 3.38Å; H139-E445 IonicContact NE2-OE2 3.52Å; H139-E445 PolarHBondContact NE2-OE2 2.96Å |
| 140 | T | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -77.7 | 62 | 179.8 | -42.6 | 0 | 0 | 0 | 0 | 111.7 | C137 H138 N147 M150 N195 L196 | C137-T140 WeakPolarHBondContact O-CB 3.48Å; C137-T140 PolarHBondContact O-N 3.02Å; C137-T140 PolarHBondContact O-OG1 2.89Å; H138-T140 PolarHBondContact O-N 2.65Å; T140-N147 HydrophobicContact CG2-CB 4.22Å; T140-M150 HydrophobicContact CG2-CB 4.07Å; T140-M150 HydrophobicContact CG2-CG 3.76Å; T140-N195 HydrophobicContact CG2-CB 4.05Å; T140-N195 WeakPolarHBondContact O-CB 3.4Å; T140-N195 PolarHBondContact O-ND2 3.24Å; T140-L196 HydrophobicContact CG2-CD2 3.94Å; T140-L196 HydrophobicContact CG2-CG 3.99Å | ||
| 141 | H | 91 | Very high | 95.7 | Very high | 53 Ų | 53 | 25.7 Ų | 25.7 | 25% | 0.245 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -147.1 | 162 | 177.7 | 68.6 | -82 | 0 | 0 | 0 | 110.2 | H138 H139 E143 S144 I192 | H138-H141 PolarHBondContact O-ND1 3.49Å; H139-H141 PolarHBondContact O-N 2.84Å; H141-E143 PolarHBondContact O-N 3.48Å; H141-S144 WeakPolarHBondContact O-CB 3.44Å; H141-S144 PolarHBondContact O-N 3.12Å; H141-S144 PolarHBondContact O-OG 2.65Å; H141-I192 HydrophobicContact CB-CD1 3.95Å |
| 142 | K | 89.6 | Confident | 95.5 | Very high | 147 Ų | 147 | 27.6 Ų | 27.6 | 64% | 0.639 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -137.6 | 179.4 | -64.3 | 168.9 | -173.4 | 167.5 | 0 | 112 | S144 N147 R151 | K142-S144 VanDerWaalsContact C-N 3.34Å; K142-N147 PolarHBondContact O-ND2 3.39Å; K142-R151 PolarHBondContact O-NH2 2.81Å |
| 143 | E | 89.1 | Confident | 95.5 | Very high | 87 Ų | 87 | 27.9 Ų | 27.9 | 41% | 0.407 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 22.6 | -175.8 | -65.2 | -65 | 114.9 | 0 | 0 | 113.2 | H141 K148 R151 | H141-E143 PolarHBondContact O-N 3.48Å; E143-K148 WeakPolarHBondContact O-CE 3.29Å; E143-R151 IonicContact OE1-CZ 3.97Å; E143-R151 IonicContact OE1-NH1 2.72Å; E143-R151 PolarHBondContact OE1-NH1 3.15Å; E143-R151 IonicContact OE1-NH2 3.54Å; E143-R151 PolarHBondContact OE1-NH2 3.24Å; E143-R151 IonicContact OE2-NH1 2.61Å |
| 144 | S | 93.3 | Very high | 95.4 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 22% | 0.224 | 14% | 0.136 | C | C | . | . | trans | -64.5 | 157.9 | 176 | 79.4 | 0 | 0 | 0 | 0 | 111.5 | H139 H141 K142 Y146 N147 K148 | H139-S144 WeakPolarHBondContact O-CB 3.44Å; H139-S144 PolarHBondContact O-OG 3.31Å; H141-S144 WeakPolarHBondContact O-CB 3.44Å; H141-S144 PolarHBondContact O-N 3.12Å; H141-S144 PolarHBondContact O-OG 2.65Å; K142-S144 VanDerWaalsContact C-N 3.34Å; S144-Y146 VanDerWaalsContact C-N 3.35Å; S144-Y146 PolarHBondContact O-N 2.61Å; S144-N147 PolarHBondContact O-N 3.02Å; S144-N147 WeakPolarHBondContact OG-CB 3.33Å; S144-N147 PolarHBondContact OG-N 2.82Å; S144-N147 VanDerWaalsContact OG-N 3.15Å; S144-K148 WeakPolarHBondContact O-CG 3.48Å; S144-K148 PolarHBondContact O-N 2.85Å | ||
| 145 | V | 95.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 22% | 0.218 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | -179.8 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | A108 Q109 Y112 N147 K148 I149 | A108-V145 HydrophobicContact CB-CB 4.01Å; A108-V145 HydrophobicContact CB-CG1 3.67Å; Q109-V145 VanDerWaalsContact OE1-CG2 3.22Å; Y112-V145 HydrophobicContact CD1-CG1 4.49Å; Y112-V145 HydrophobicContact CG-CG1 4.2Å; V145-N147 VanDerWaalsContact C-N 3.32Å; V145-N147 PolarHBondContact O-N 2.94Å; V145-K148 PolarHBondContact O-N 3.49Å; V145-I149 HydrophobicContact CG1-CD1 4.25Å; V145-I149 WeakPolarHBondContact O-CG1 3.48Å; V145-I149 PolarHBondContact O-N 3.06Å; V145-I149 VanDerWaalsContact O-N 3.07Å |
| 146 | Y | 98 | Very high | 95.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.3 | -47.8 | 172.9 | -67.3 | -22.8 | 0 | 0 | 0 | 111.7 | L56 V57 N58 A108 I134 D135 H139 S144 K148 I149 M150 | L56-Y146 HydrophobicContact CB-CD1 4.48Å; L56-Y146 HydrophobicContact CB-CE1 3.8Å; L56-Y146 HydrophobicContact CD1-CD1 4.38Å; L56-Y146 HydrophobicContact CD1-CE1 4.48Å; L56-Y146 PolarHBondContact O-OH 3.23Å; V57-Y146 VanDerWaalsContact CA-OH 3.23Å; V57-Y146 WeakPolarHBondContact CA-OH 3.49Å; N58-Y146 HydrophobicContact CB-CE2 4.4Å; N58-Y146 PolarHBondContact N-OH 3.42Å; A108-Y146 HydrophobicContact CB-CD1 3.49Å; A108-Y146 VanDerWaalsContact CB-CD1 3.49Å; A108-Y146 HydrophobicContact CB-CE1 3.44Å; A108-Y146 VanDerWaalsContact CB-CE1 3.44Å; I134-Y146 HydrophobicContact CG2-CD1 3.98Å; I134-Y146 HydrophobicContact CG2-CD2 3.7Å; I134-Y146 HydrophobicContact CG2-CE1 3.93Å; I134-Y146 HydrophobicContact CG2-CE2 3.66Å; I134-Y146 HydrophobicContact CG2-CG 3.87Å; D135-Y146 WeakPolarHBondContact O-CE2 3.33Å; D135-Y146 VanDerWaalsContact O-CZ 3.3Å; D135-Y146 PolarHBondContact O-OH 3.06Å; H139-Y146 HydrophobicContact CB-CD2 3.72Å; H139-Y146 HydrophobicContact CB-CE2 4.01Å; S144-Y146 VanDerWaalsContact C-N 3.35Å; S144-Y146 PolarHBondContact O-N 2.61Å; Y146-K148 VanDerWaalsContact C-N 3.28Å; Y146-K148 PolarHBondContact O-N 2.78Å; Y146-I149 PolarHBondContact O-N 3.18Å; Y146-M150 WeakPolarHBondContact O-CG 3.33Å; Y146-M150 PolarHBondContact O-N 3.47Å |
| 147 | N | 97.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -30.3 | -178.5 | -157.2 | 33.7 | 0 | 0 | 0 | 112.2 | T140 K142 S144 V145 M150 R151 | T140-N147 HydrophobicContact CG2-CB 4.22Å; K142-N147 PolarHBondContact O-ND2 3.39Å; S144-N147 PolarHBondContact O-N 3.02Å; S144-N147 WeakPolarHBondContact OG-CB 3.33Å; S144-N147 PolarHBondContact OG-N 2.82Å; S144-N147 VanDerWaalsContact OG-N 3.15Å; V145-N147 VanDerWaalsContact C-N 3.32Å; V145-N147 PolarHBondContact O-N 2.94Å; N147-M150 PolarHBondContact O-N 3.16Å; N147-R151 PolarHBondContact ND2-NE 2.9Å; N147-R151 WeakPolarHBondContact O-CB 3.43Å; N147-R151 WeakPolarHBondContact O-CD 3.28Å; N147-R151 WeakPolarHBondContact O-CG 3.32Å; N147-R151 PolarHBondContact O-N 3.32Å |
| 148 | K | 95.8 | Very high | 95 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 27% | 0.265 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.8 | -69.7 | 172.6 | 177.1 | -172.1 | 0 | 112.2 | Y112 E143 S144 V145 Y146 M150 R151 C152 | Y112-K148 HydrophobicContact CD2-CB 3.95Å; Y112-K148 HydrophobicContact CE1-CD 3.85Å; Y112-K148 HydrophobicContact CE2-CB 3.56Å; Y112-K148 HydrophobicContact CE2-CD 4.22Å; Y112-K148 HydrophobicContact CE2-CG 4.44Å; E143-K148 WeakPolarHBondContact O-CE 3.29Å; S144-K148 WeakPolarHBondContact O-CG 3.48Å; S144-K148 PolarHBondContact O-N 2.85Å; V145-K148 PolarHBondContact O-N 3.49Å; Y146-K148 VanDerWaalsContact C-N 3.28Å; Y146-K148 PolarHBondContact O-N 2.78Å; K148-M150 VanDerWaalsContact C-N 3.34Å; K148-R151 PolarHBondContact O-N 3.04Å; K148-C152 PolarHBondContact O-N 3.07Å; K148-C152 PolarHBondContact O-SG 2.71Å |
| 149 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -48 | 174.2 | -65 | 164 | 0 | 0 | 0 | 109.7 | L56 A108 L111 Y112 L115 L126 L132 V145 Y146 R151 C152 Y153 | L56-I149 HydrophobicContact CD1-CD1 3.74Å; A108-I149 HydrophobicContact CB-CD1 4.28Å; A108-I149 WeakPolarHBondContact O-CD1 3.47Å; L111-I149 HydrophobicContact CB-CD1 4.39Å; L111-I149 HydrophobicContact CD2-CD1 4.28Å; L111-I149 HydrophobicContact CD2-CG2 4.21Å; L111-I149 HydrophobicContact CG-CD1 4.45Å; Y112-I149 HydrophobicContact CD2-CG1 4.08Å; Y112-I149 HydrophobicContact CG-CG1 4.43Å; L115-I149 HydrophobicContact CD1-CB 4.5Å; L115-I149 HydrophobicContact CD1-CG1 4.18Å; L115-I149 HydrophobicContact CD1-CG2 4.12Å; L126-I149 HydrophobicContact CD2-CG2 4.39Å; L132-I149 HydrophobicContact CD2-CG2 4.29Å; V145-I149 HydrophobicContact CG1-CD1 4.25Å; V145-I149 WeakPolarHBondContact O-CG1 3.48Å; V145-I149 PolarHBondContact O-N 3.06Å; V145-I149 VanDerWaalsContact O-N 3.07Å; Y146-I149 PolarHBondContact O-N 3.18Å; I149-R151 VanDerWaalsContact C-N 3.33Å; I149-R151 PolarHBondContact O-N 3.01Å; I149-C152 WeakPolarHBondContact O-CB 3.47Å; I149-C152 PolarHBondContact O-N 2.89Å; I149-C152 VanDerWaalsContact O-N 3.13Å; I149-Y153 PolarHBondContact O-N 3.47Å |
| 150 | M | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -28.2 | -179.1 | -70.5 | -47.2 | -60.6 | 0 | 0 | 113.8 | L132 I134 T140 Y146 N147 K148 Y153 V154 I167 N195 L196 | L132-M150 HydrophobicContact CD2-SD 4.17Å; I134-M150 HydrophobicContact CD1-CG 4.08Å; I134-M150 HydrophobicContact CD1-SD 3.76Å; T140-M150 HydrophobicContact CG2-CB 4.07Å; T140-M150 HydrophobicContact CG2-CG 3.76Å; Y146-M150 WeakPolarHBondContact O-CG 3.33Å; Y146-M150 PolarHBondContact O-N 3.47Å; N147-M150 PolarHBondContact O-N 3.16Å; K148-M150 VanDerWaalsContact C-N 3.34Å; M150-Y153 HydrophobicContact CE-CD1 3.59Å; M150-Y153 HydrophobicContact CE-CD2 4.39Å; M150-Y153 HydrophobicContact CE-CE1 4.18Å; M150-Y153 HydrophobicContact CE-CG 3.73Å; M150-Y153 WeakPolarHBondContact O-CB 3.35Å; M150-Y153 PolarHBondContact O-N 3.4Å; M150-V154 WeakPolarHBondContact O-CG2 3.37Å; M150-V154 PolarHBondContact O-N 2.84Å; M150-I167 HydrophobicContact CE-CD1 3.82Å; M150-I167 HydrophobicContact CE-CG1 3.87Å; M150-I167 HydrophobicContact CE-CG2 4.39Å; M150-I167 HydrophobicContact SD-CD1 4.1Å; M150-N195 VanDerWaalsContact CB-O 3.23Å; M150-N195 WeakPolarHBondContact CB-O 3.24Å; M150-L196 HydrophobicContact CG-CD2 4.19Å |
| 151 | R | 95.4 | Very high | 94.6 | Very high | 43 Ų | 43 | 49.1 Ų | 49.1 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 169.7 | -77.6 | 165.8 | -176.6 | -179.6 | 2 | 111.6 | K142 E143 N147 K148 I149 Y153 V154 E155 | K142-R151 PolarHBondContact O-NH2 2.81Å; E143-R151 IonicContact OE1-CZ 3.97Å; E143-R151 IonicContact OE1-NH1 2.72Å; E143-R151 PolarHBondContact OE1-NH1 3.15Å; E143-R151 IonicContact OE1-NH2 3.54Å; E143-R151 PolarHBondContact OE1-NH2 3.24Å; E143-R151 IonicContact OE2-NH1 2.61Å; N147-R151 PolarHBondContact ND2-NE 2.9Å; N147-R151 WeakPolarHBondContact O-CB 3.43Å; N147-R151 WeakPolarHBondContact O-CD 3.28Å; N147-R151 WeakPolarHBondContact O-CG 3.32Å; N147-R151 PolarHBondContact O-N 3.32Å; K148-R151 PolarHBondContact O-N 3.04Å; I149-R151 VanDerWaalsContact C-N 3.33Å; I149-R151 PolarHBondContact O-N 3.01Å; R151-Y153 VanDerWaalsContact C-N 3.29Å; R151-Y153 PolarHBondContact O-N 2.79Å; R151-V154 PolarHBondContact O-N 2.79Å; R151-E155 WeakPolarHBondContact O-CB 3.32Å; R151-E155 PolarHBondContact O-N 3.11Å |
| 152 | C | 94.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 172.6 | -62.5 | 0 | 0 | 0 | 0 | 111 | L126 K148 I149 K156 | L126-C152 HydrophobicContact CD1-CB 4.16Å; K148-C152 PolarHBondContact O-N 3.07Å; K148-C152 PolarHBondContact O-SG 2.71Å; I149-C152 WeakPolarHBondContact O-CB 3.47Å; I149-C152 PolarHBondContact O-N 2.89Å; I149-C152 VanDerWaalsContact O-N 3.13Å; C152-K156 WeakPolarHBondContact O-CG 3.4Å; C152-K156 PolarHBondContact O-N 3.46Å; C152-K156 VanDerWaalsContact O-N 3.1Å |
| 153 | Y | 97.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -53.2 | 174 | 173.4 | -81.2 | 0 | 0 | 0 | 112 | N22 I149 M150 R151 E155 K156 K157 I164 P165 I167 D197 | N22-Y153 PolarHBondContact ND2-OH 3.27Å; N22-Y153 VanDerWaalsContact ND2-OH 3.09Å; I149-Y153 PolarHBondContact O-N 3.47Å; M150-Y153 HydrophobicContact CE-CD1 3.59Å; M150-Y153 HydrophobicContact CE-CD2 4.39Å; M150-Y153 HydrophobicContact CE-CE1 4.18Å; M150-Y153 HydrophobicContact CE-CG 3.73Å; M150-Y153 WeakPolarHBondContact O-CB 3.35Å; M150-Y153 PolarHBondContact O-N 3.4Å; R151-Y153 VanDerWaalsContact C-N 3.29Å; R151-Y153 PolarHBondContact O-N 2.79Å; Y153-E155 VanDerWaalsContact C-N 3.3Å; Y153-E155 PolarHBondContact O-N 3.35Å; Y153-K156 PolarHBondContact O-N 2.96Å; Y153-K157 PolarHBondContact O-N 2.8Å; Y153-I164 HydrophobicContact CD2-CB 4.17Å; Y153-I164 HydrophobicContact CE1-CD1 4.29Å; Y153-I164 HydrophobicContact CE2-CB 3.74Å; Y153-I164 HydrophobicContact CE2-CD1 3.8Å; Y153-I164 HydrophobicContact CE2-CG1 3.88Å; Y153-P165 HydrophobicContact CD2-CG 4.13Å; Y153-P165 HydrophobicContact CE2-CG 4.19Å; Y153-P165 VanDerWaalsContact CE2-O 3.3Å; Y153-P165 WeakPolarHBondContact CE2-O 3.47Å; Y153-I167 HydrophobicContact CD2-CD1 4.02Å; Y153-I167 HydrophobicContact CE1-CG1 4.49Å; Y153-I167 HydrophobicContact CE2-CD1 3.82Å; Y153-I167 HydrophobicContact CE2-CG1 4.01Å; Y153-D197 HydrophobicContact CD1-CB 4.37Å; Y153-D197 HydrophobicContact CE1-CB 3.61Å; Y153-D197 WeakPolarHBondContact CE1-OD2 3.39Å; Y153-D197 PolarHBondContact OH-OD2 3.19Å; Y153-D197 VanDerWaalsContact OH-OD2 3.12Å |
| 154 | V | 96.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -38.8 | -178.7 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | M150 R151 K157 L158 Q528 I532 | M150-V154 WeakPolarHBondContact O-CG2 3.37Å; M150-V154 PolarHBondContact O-N 2.84Å; R151-V154 PolarHBondContact O-N 2.79Å; V154-K157 WeakPolarHBondContact O-CB 3.32Å; V154-K157 PolarHBondContact O-N 3.43Å; V154-L158 HydrophobicContact CG1-CD1 3.97Å; V154-L158 HydrophobicContact CG1-CG 4.24Å; V154-L158 WeakPolarHBondContact O-CB 3.5Å; V154-L158 WeakPolarHBondContact O-CG 3.39Å; V154-L158 PolarHBondContact O-N 3.47Å; V154-Q528 HydrophobicContact CG1-CB 3.69Å; V154-Q528 HydrophobicContact CG1-CG 3.79Å; V154-Q528 HydrophobicContact CG2-CG 4.2Å; V154-I532 HydrophobicContact CG1-CD1 4.28Å; V154-I532 HydrophobicContact CG1-CG1 4.06Å |
| 155 | E | 94.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.9 | -170.1 | 179.4 | 172.5 | 0 | 0 | 111.9 | R151 Y153 L158 K159 I532 | R151-E155 WeakPolarHBondContact O-CB 3.32Å; R151-E155 PolarHBondContact O-N 3.11Å; Y153-E155 VanDerWaalsContact C-N 3.3Å; Y153-E155 PolarHBondContact O-N 3.35Å; E155-L158 PolarHBondContact O-N 3.44Å; E155-K159 HydrophobicContact CG-CD 4.25Å; E155-K159 WeakPolarHBondContact O-CB 3.36Å; E155-K159 VanDerWaalsContact O-CG 3.32Å; E155-K159 WeakPolarHBondContact O-CG 3.43Å; E155-K159 PolarHBondContact O-N 3.12Å; E155-K159 WeakPolarHBondContact OE1-CE 3.38Å; E155-K159 IonicContact OE1-NZ 2.97Å; E155-K159 PolarHBondContact OE1-NZ 3.38Å; E155-I532 HydrophobicContact CB-CD1 4.08Å |
| 156 | K | 95.2 | Very high | 94.9 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.4 | -71.6 | -179.7 | -172.3 | -101 | 0 | 111.6 | E125 L126 C152 Y153 K159 G160 Q161 I164 | E125-K156 IonicContact OE1-NZ 3.87Å; E125-K156 IonicContact OE2-NZ 2.75Å; E125-K156 PolarHBondContact OE2-NZ 2.97Å; L126-K156 HydrophobicContact CB-CD 4.42Å; L126-K156 HydrophobicContact CD1-CD 4.17Å; C152-K156 WeakPolarHBondContact O-CG 3.4Å; C152-K156 PolarHBondContact O-N 3.46Å; C152-K156 VanDerWaalsContact O-N 3.1Å; Y153-K156 PolarHBondContact O-N 2.96Å; K156-K159 PolarHBondContact O-N 3.29Å; K156-G160 PolarHBondContact O-N 3.21Å; K156-Q161 HydrophobicContact CB-CB 4.13Å; K156-Q161 VanDerWaalsContact O-CB 3.27Å; K156-Q161 WeakPolarHBondContact O-CB 3.12Å; K156-Q161 PolarHBondContact O-N 3.42Å; K156-I164 HydrophobicContact CB-CG2 4.27Å |
| 157 | K | 95.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.4 | -51.9 | 174.2 | 179.8 | -163.9 | 171.6 | -167.1 | 0 | 111.5 | Y153 V154 K159 G160 I164 D197 | Y153-K157 PolarHBondContact O-N 2.8Å; V154-K157 WeakPolarHBondContact O-CB 3.32Å; V154-K157 PolarHBondContact O-N 3.43Å; K157-K159 PolarHBondContact O-N 3.43Å; K157-G160 PolarHBondContact O-N 2.98Å; K157-I164 HydrophobicContact CB-CD1 3.93Å; K157-I164 HydrophobicContact CG-CD1 4.24Å; K157-D197 WeakPolarHBondContact CD-OD2 3.47Å; K157-D197 IonicContact NZ-OD1 3.28Å; K157-D197 PolarHBondContact NZ-OD1 3.15Å; K157-D197 IonicContact NZ-OD2 2.7Å |
| 158 | L | 94.4 | Very high | 95 | Very high | 74 Ų | 74 | 56 Ų | 56 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -25.3 | -178.7 | -68.2 | 178 | 0 | 0 | 0 | 112.8 | V154 E155 G160 I532 | V154-L158 HydrophobicContact CG1-CD1 3.97Å; V154-L158 HydrophobicContact CG1-CG 4.24Å; V154-L158 WeakPolarHBondContact O-CB 3.5Å; V154-L158 WeakPolarHBondContact O-CG 3.39Å; V154-L158 PolarHBondContact O-N 3.47Å; E155-L158 PolarHBondContact O-N 3.44Å; L158-G160 PolarHBondContact O-N 2.91Å; L158-I532 HydrophobicContact CD1-CG1 4.03Å |
| 159 | K | 94 | Very high | 95.1 | Very high | 148 Ų | 148 | 53 Ų | 53 | 64% | 0.643 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -1.6 | 170.3 | -73.9 | 170.5 | 172.2 | 170.7 | 0 | 113.7 | E155 K156 K157 | E155-K159 HydrophobicContact CG-CD 4.25Å; E155-K159 WeakPolarHBondContact O-CB 3.36Å; E155-K159 VanDerWaalsContact O-CG 3.32Å; E155-K159 WeakPolarHBondContact O-CG 3.43Å; E155-K159 PolarHBondContact O-N 3.12Å; E155-K159 WeakPolarHBondContact OE1-CE 3.38Å; E155-K159 IonicContact OE1-NZ 2.97Å; E155-K159 PolarHBondContact OE1-NZ 3.38Å; K156-K159 PolarHBondContact O-N 3.29Å; K157-K159 PolarHBondContact O-N 3.43Å |
| 160 | G | 92.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 59% | 0.588 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 18.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K156 K157 L158 R162 | K156-G160 PolarHBondContact O-N 3.21Å; K157-G160 PolarHBondContact O-N 2.98Å; L158-G160 PolarHBondContact O-N 2.91Å; G160-R162 PolarHBondContact O-N 3.01Å |
| 161 | Q | 92.1 | Very high | 95 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | trans | -67.2 | 125 | 177 | -169.8 | 164.8 | -10.8 | 0 | 0 | 110.3 | K156 I164 | K156-Q161 HydrophobicContact CB-CB 4.13Å; K156-Q161 VanDerWaalsContact O-CB 3.27Å; K156-Q161 WeakPolarHBondContact O-CB 3.12Å; K156-Q161 PolarHBondContact O-N 3.42Å; Q161-I164 HydrophobicContact CG-CG2 4.48Å | ||
| 162 | R | 84 | Confident | 94.9 | Very high | 244 Ų | 244 | 51.1 Ų | 51.1 | 92% | 0.921 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -82.8 | -32 | -172.8 | -66.4 | -173.8 | 177.8 | -176.4 | -0.6 | 114.5 | G160 I164 | G160-R162 PolarHBondContact O-N 3.01Å; R162-I164 PolarHBondContact O-N 3.15Å |
| 163 | R | 88.9 | Confident | 94.8 | Very high | 203 Ų | 203 | 49.3 Ų | 49.3 | 77% | 0.766 | 23% | 0.226 | S | C | * | . | trans | -95.2 | 89.1 | -178.9 | -68.2 | -172.7 | 179.3 | -175.6 | -0.2 | 109.8 | S127 | S127-R163 WeakPolarHBondContact CB-O 3.44Š| ||
| 164 | I | 94.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | trans | -133.6 | 149.5 | 173.4 | 60.3 | -178.5 | 0 | 0 | 0 | 108.8 | Y153 K156 K157 Q161 R162 | Y153-I164 HydrophobicContact CD2-CB 4.17Å; Y153-I164 HydrophobicContact CE1-CD1 4.29Å; Y153-I164 HydrophobicContact CE2-CB 3.74Å; Y153-I164 HydrophobicContact CE2-CD1 3.8Å; Y153-I164 HydrophobicContact CE2-CG1 3.88Å; K156-I164 HydrophobicContact CB-CG2 4.27Å; K157-I164 HydrophobicContact CB-CD1 3.93Å; K157-I164 HydrophobicContact CG-CD1 4.24Å; Q161-I164 HydrophobicContact CG-CG2 4.48Å; R162-I164 PolarHBondContact O-N 3.15Å | ||
| 165 | P | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | trans | -69.9 | 149.3 | -172.9 | 24.8 | -32.6 | 0 | 0 | 0 | 112.2 | L126 I129 T130 L132 Y153 I167 | L126-P165 WeakPolarHBondContact O-CD 3.33Å; I129-P165 HydrophobicContact CB-CB 4.22Å; I129-P165 HydrophobicContact CB-CG 4.48Å; I129-P165 HydrophobicContact CG2-CB 3.96Å; I129-P165 WeakPolarHBondContact O-CB 3.48Å; T130-P165 WeakPolarHBondContact O-CA 3.42Å; L132-P165 HydrophobicContact CB-CB 4.14Å; L132-P165 HydrophobicContact CB-CG 4.22Å; Y153-P165 HydrophobicContact CD2-CG 4.13Å; Y153-P165 HydrophobicContact CE2-CG 4.19Å; Y153-P165 VanDerWaalsContact CE2-O 3.3Å; Y153-P165 WeakPolarHBondContact CE2-O 3.47Å; P165-I167 HydrophobicContact CG-CD1 4.27Å | ||
| 166 | Q | 98.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 142.4 | 160.4 | -175.4 | -176.2 | 6.2 | 0 | 0 | 109.5 | A17 G20 E21 N22 T130 L131 L132 | A17-Q166 PolarHBondContact O-NE2 2.97Å; G20-Q166 VanDerWaalsContact C-NE2 3.33Å; E21-Q166 PolarHBondContact O-NE2 3.25Å; N22-Q166 WeakPolarHBondContact OD1-CA 3.31Å; T130-Q166 PolarHBondContact O-N 3.41Å; L131-Q166 CarbonylContact C-O 3.52Å; L131-Q166 WeakPolarHBondContact CA-O 3.49Å; L131-Q166 HydrophobicContact CD1-CB 3.94Å; L131-Q166 HydrophobicContact CD1-CG 4.04Å; L132-Q166 PolarHBondContact N-O 3.14Å |
| 167 | I | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.8 | 179.6 | -51.9 | -57.8 | 0 | 0 | 0 | 110.9 | N22 V23 L132 M150 Y153 P165 L196 | N22-I167 WeakPolarHBondContact CA-O 3.38Å; N22-I167 HydrophobicContact CB-CB 4.23Å; N22-I167 PolarHBondContact OD1-N 3.49Å; V23-I167 PolarHBondContact N-O 3.11Å; L132-I167 HydrophobicContact CB-CD1 3.89Å; L132-I167 HydrophobicContact CD2-CD1 4.04Å; L132-I167 HydrophobicContact CG-CD1 4.47Å; M150-I167 HydrophobicContact CE-CD1 3.82Å; M150-I167 HydrophobicContact CE-CG1 3.87Å; M150-I167 HydrophobicContact CE-CG2 4.39Å; M150-I167 HydrophobicContact SD-CD1 4.1Å; Y153-I167 HydrophobicContact CD2-CD1 4.02Å; Y153-I167 HydrophobicContact CE1-CG1 4.49Å; Y153-I167 HydrophobicContact CE2-CD1 3.82Å; Y153-I167 HydrophobicContact CE2-CG1 4.01Å; P165-I167 HydrophobicContact CG-CD1 4.27Å; I167-L196 HydrophobicContact CG2-CD2 4.22Å; I167-L196 WeakPolarHBondContact CG2-O 3.2Å |
| 168 | L | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 101.8 | 170.7 | -178.1 | 65.4 | 0 | 0 | 0 | 110.4 | A17 V23 I25 A37 V40 L131 L132 I133 I134 L170 | A17-L168 HydrophobicContact CB-CD1 4.1Å; V23-L168 HydrophobicContact CB-CD1 4.41Å; V23-L168 CarbonylContact O-C 3.27Å; V23-L168 WeakPolarHBondContact O-CA 3.35Å; I25-L168 HydrophobicContact CD1-CD1 3.79Å; I25-L168 HydrophobicContact CG1-CD1 3.95Å; A37-L168 HydrophobicContact CB-CD2 4.01Å; V40-L168 HydrophobicContact CB-CD2 3.97Å; V40-L168 HydrophobicContact CG1-CD2 4.01Å; V40-L168 HydrophobicContact CG2-CD2 4.22Å; L131-L168 HydrophobicContact CD1-CB 4.22Å; L132-L168 PolarHBondContact O-N 3.16Å; I133-L168 CarbonylContact C-O 3.52Å; I133-L168 VanDerWaalsContact CA-O 3.31Å; I133-L168 WeakPolarHBondContact CA-O 3.44Å; I133-L168 HydrophobicContact CD1-CD2 4.24Å; I133-L168 HydrophobicContact CG1-CB 4.24Å; I133-L168 HydrophobicContact CG1-CD2 4.19Å; I133-L168 HydrophobicContact CG2-CD2 4.32Å; I134-L168 PolarHBondContact N-O 3.42Å; L168-L170 HydrophobicContact CD2-CD2 4.38Å; L168-L170 HydrophobicContact CG-CD2 4.15Å |
| 169 | G | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 139.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V23 I24 I25 | V23-G169 PolarHBondContact O-N 2.98Å; I24-G169 CarbonylContact C-O 3.6Å; I24-G169 WeakPolarHBondContact CA-O 3.49Å; I25-G169 PolarHBondContact N-O 3.15Å |
| 170 | L | 98.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.4 | 174.7 | -49.2 | 175.6 | 0 | 0 | 0 | 109.6 | I25 K33 A37 I133 I134 E136 C137 L168 | I25-L170 HydrophobicContact CB-CD2 4.13Å; I25-L170 HydrophobicContact CD1-CD2 4.21Å; K33-L170 HydrophobicContact CB-CB 4.39Å; K33-L170 HydrophobicContact CD-CB 4.4Å; A37-L170 HydrophobicContact CB-CD1 3.68Å; A37-L170 HydrophobicContact CB-CD2 4.06Å; A37-L170 HydrophobicContact CB-CG 4.44Å; I133-L170 HydrophobicContact CG2-CD1 4Å; I133-L170 HydrophobicContact CG2-CG 4.32Å; I134-L170 PolarHBondContact O-N 3.26Å; E136-L170 CarbonylContact C-O 3.58Å; E136-L170 VanDerWaalsContact CA-O 3.27Å; E136-L170 WeakPolarHBondContact CA-O 3.49Å; E136-L170 PolarHBondContact N-O 3.31Å; C137-L170 PolarHBondContact N-O 3.1Å; L168-L170 HydrophobicContact CD2-CD2 4.38Å; L168-L170 HydrophobicContact CG-CD2 4.15Å |
| 171 | T | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.7 | 174 | -172.1 | 0 | 0 | 0 | 0 | 113 | I24 I25 W26 L27 K33 H138 S173 | I24-T171 HydrophobicContact CG2-CG2 3.86Å; I25-T171 PolarHBondContact O-N 3.03Å; I25-T171 VanDerWaalsContact O-N 3.1Å; W26-T171 WeakPolarHBondContact CA-O 3.36Å; L27-T171 PolarHBondContact N-O 3.32Å; K33-T171 WeakPolarHBondContact CD-O 3.38Å; H138-T171 PolarHBondContact ND1-OG1 2.71Å; T171-S173 VanDerWaalsContact OG1-C 3.3Å; T171-S173 PolarHBondContact OG1-N 2.95Å; T171-S173 PolarHBondContact OG1-O 3.38Å |
| 172 | A | 92.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -81.6 | -23.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W26 L27 T29 Q468 | W26-A172 VanDerWaalsContact CD1-O 3.27Å; W26-A172 PolarHBondContact NE1-O 2.89Å; L27-A172 VanDerWaalsContact O-CA 3.25Å; L27-A172 WeakPolarHBondContact O-CA 3.23Å; T29-A172 WeakPolarHBondContact OG1-CB 3.25Å; A172-Q468 PolarHBondContact O-NE2 2.83Å |
| 173 | S | 91.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | trans | -160 | 118.6 | -175.1 | -160.1 | 0 | 0 | 0 | 0 | 110.5 | H138 T171 Q468 | H138-S173 WeakPolarHBondContact CB-O 3.5Å; T171-S173 VanDerWaalsContact OG1-C 3.3Å; T171-S173 PolarHBondContact OG1-N 2.95Å; T171-S173 PolarHBondContact OG1-O 3.38Å; S173-Q468 PolarHBondContact OG-OE1 2.94Å | ||
| 174 | P | 92.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | trans | -73.8 | -15.9 | 167.7 | 29.8 | -32.5 | 0 | 0 | 0 | 112.6 | H188 V189 I200 T505 I509 | P174-H188 PolarHBondContact O-NE2 3.35Å; P174-V189 HydrophobicContact CG-CG2 4.36Å; P174-I200 HydrophobicContact CG-CD1 4.13Å; P174-T505 HydrophobicContact CG-CG2 3.9Å; P174-I509 HydrophobicContact CG-CD1 3.58Å; P174-I509 HydrophobicContact CG-CG1 4.09Å | ||
| 175 | G | 93.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 68.2 | -170.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | H188 E464 | G175-H188 PolarHBondContact O-CD2 2.81Å; G175-E464 WeakPolarHBondContact CA-OE1 3.39Å | ||
| 176 | T | 93.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -111.9 | -0.3 | 178.1 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | G178 A179 A185 H188 E464 L501 L504 T505 | T176-G178 PolarHBondContact O-N 3.37Å; T176-G178 PolarHBondContact OG1-N 3.17Å; T176-A179 WeakPolarHBondContact CB-O 3.44Å; T176-A179 WeakPolarHBondContact O-CB 3.24Å; T176-A179 PolarHBondContact O-N 3.31Å; T176-A179 PolarHBondContact OG1-N 3.41Å; T176-A179 PolarHBondContact OG1-O 3.44Å; T176-A185 HydrophobicContact CG2-CB 4.08Å; T176-H188 VanDerWaalsContact C-CD2 3.41Å; T176-E464 PolarHBondContact N-OE1 3.21Å; T176-L501 HydrophobicContact CG2-CB 4.28Å; T176-L501 HydrophobicContact CG2-CD2 4.27Å; T176-L501 WeakPolarHBondContact CG2-O 3.42Å; T176-L504 HydrophobicContact CG2-CB 4.34Å; T176-L504 HydrophobicContact CG2-CD2 4.31Å; T176-L504 HydrophobicContact CG2-CG 4.46Å; T176-T505 VanDerWaalsContact CG2-OG1 3.23Å; T176-T505 WeakPolarHBondContact CG2-OG1 3.39Å | ||
| 177 | G | 89.6 | Confident | 95.3 | Very high | 57 Ų | 57 | 34.2 Ų | 34.2 | 59% | 0.588 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 11.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H188 | G177-H188 VanDerWaalsContact CA-CE1 3.47Å; G177-H188 WeakPolarHBondContact CA-CE1 3.49Å; G177-H188 VanDerWaalsContact CA-ND1 3.32Å; G177-H188 WeakPolarHBondContact CA-ND1 3.45Å; G177-H188 PolarHBondContact N-CD2 3.31Å; G177-H188 PolarHBondContact N-CE1 3.03Å; G177-H188 PolarHBondContact N-ND1 3.44Å; G177-H188 PolarHBondContact N-NE2 2.82Å |
| 178 | G | 89.8 | Confident | 95.3 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -1.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T176 | T176-G178 PolarHBondContact O-N 3.37Å; T176-G178 PolarHBondContact OG1-N 3.17Å |
| 179 | A | 93.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | trans | -61.2 | 138.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T176 E184 A185 L501 | T176-A179 WeakPolarHBondContact CB-O 3.44Å; T176-A179 WeakPolarHBondContact O-CB 3.24Å; T176-A179 PolarHBondContact O-N 3.31Å; T176-A179 PolarHBondContact OG1-N 3.41Å; T176-A179 PolarHBondContact OG1-O 3.44Å; A179-E184 HydrophobicContact CB-CB 3.47Å; A179-E184 VanDerWaalsContact CB-CB 3.47Å; A179-A185 HydrophobicContact CB-CB 4.35Å; A179-L501 WeakPolarHBondContact O-CD2 3.42Å | ||
| 180 | K | 94.2 | Very high | 95.2 | Very high | 135 Ų | 135 | 35.7 Ų | 35.7 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | trans | -109 | -0.2 | 179.1 | -61.4 | -178.9 | -176 | 175.6 | 0 | 113.1 | Y500 | K180-Y500 WeakPolarHBondContact O-CE1 3.34Å; K180-Y500 PolarHBondContact O-OH 2.98Å; K180-Y500 VanDerWaalsContact O-OH 3.09Å | ||
| 181 | V | 96.8 | Very high | 95.2 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -126.6 | 151.4 | -179.4 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | E183 E184 A185 | V181-E183 PolarHBondContact O-N 3.03Å; V181-E184 HydrophobicContact CG2-CB 3.75Å; V181-E184 VanDerWaalsContact CG2-CD 3.46Å; V181-E184 HydrophobicContact CG2-CG 3.55Å; V181-E184 PolarHBondContact O-N 3.49Å; V181-A185 PolarHBondContact O-N 3.07Å |
| 182 | L | 97.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.335 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -45.7 | -170.1 | 179.4 | 60.7 | 0 | 0 | 0 | 112.9 | E184 A185 V186 L504 K507 A508 | L182-E184 VanDerWaalsContact C-N 3.35Å; L182-E184 PolarHBondContact O-N 3.17Å; L182-A185 PolarHBondContact O-N 2.79Å; L182-A185 VanDerWaalsContact O-N 3.16Å; L182-V186 HydrophobicContact CD1-CG2 4.15Å; L182-V186 HydrophobicContact CG-CG2 4.34Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.45Å; L182-V186 PolarHBondContact O-N 2.82Å; L182-L504 HydrophobicContact CB-CD1 3.95Å; L182-L504 HydrophobicContact CD1-CD1 4.05Å; L182-K507 HydrophobicContact CD1-CB 3.7Å; L182-A508 HydrophobicContact CD1-CB 4.25Å |
| 183 | E | 97.1 | Very high | 95.6 | Very high | 117 Ų | 117 | 39.4 Ų | 39.4 | 55% | 0.547 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -42.1 | -178.2 | -67.9 | -59.4 | 140.9 | 0 | 0 | 112.2 | V181 V186 N187 | V181-E183 PolarHBondContact O-N 3.03Å; E183-V186 PolarHBondContact O-N 2.78Å; E183-N187 VanDerWaalsContact O-CG 3.25Å; E183-N187 PolarHBondContact O-N 3.37Å; E183-N187 PolarHBondContact O-ND2 3.33Å |
| 184 | E | 97.1 | Very high | 95.9 | Very high | 110 Ų | 110 | 39.4 Ų | 39.4 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.2 | -70.3 | 177.7 | -174.9 | 0 | 0 | 111.9 | A179 V181 L182 N187 H188 | A179-E184 HydrophobicContact CB-CB 3.47Å; A179-E184 VanDerWaalsContact CB-CB 3.47Å; V181-E184 HydrophobicContact CG2-CB 3.75Å; V181-E184 VanDerWaalsContact CG2-CD 3.46Å; V181-E184 HydrophobicContact CG2-CG 3.55Å; V181-E184 PolarHBondContact O-N 3.49Å; L182-E184 VanDerWaalsContact C-N 3.35Å; L182-E184 PolarHBondContact O-N 3.17Å; E184-N187 PolarHBondContact O-N 3.4Å; E184-H188 PolarHBondContact O-N 3.13Å |
| 185 | A | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T176 A179 V181 L182 H188 V189 L504 A508 | T176-A185 HydrophobicContact CG2-CB 4.08Å; A179-A185 HydrophobicContact CB-CB 4.35Å; V181-A185 PolarHBondContact O-N 3.07Å; L182-A185 PolarHBondContact O-N 2.79Å; L182-A185 VanDerWaalsContact O-N 3.16Å; A185-H188 PolarHBondContact O-N 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.31Å; A185-V189 PolarHBondContact O-N 3.23Å; A185-L504 HydrophobicContact CB-CD2 4Å; A185-L504 HydrophobicContact CB-CG 3.92Å; A185-A508 HydrophobicContact CB-CB 3.91Å |
| 186 | V | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 172.3 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | L182 E183 H188 V189 L190 A508 R511 V512 M515 | L182-V186 HydrophobicContact CD1-CG2 4.15Å; L182-V186 HydrophobicContact CG-CG2 4.34Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.45Å; L182-V186 PolarHBondContact O-N 2.82Å; E183-V186 PolarHBondContact O-N 2.78Å; V186-H188 VanDerWaalsContact C-N 3.32Å; V186-H188 PolarHBondContact O-N 3.18Å; V186-V189 PolarHBondContact O-N 3.15Å; V186-L190 HydrophobicContact CG1-CD1 4.06Å; V186-L190 HydrophobicContact CG1-CG 4.48Å; V186-L190 WeakPolarHBondContact O-CB 3.32Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.2Å; V186-A508 HydrophobicContact CG2-CB 3.91Å; V186-R511 HydrophobicContact CG1-CG 4.43Å; V186-R511 HydrophobicContact CG2-CB 3.84Å; V186-R511 HydrophobicContact CG2-CG 3.87Å; V186-V512 HydrophobicContact CG1-CG2 4.02Å; V186-M515 HydrophobicContact CG1-CE 3.74Å |
| 187 | N | 97.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 41.1 Ų | 41.1 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.2 | -69 | -25.5 | 0 | 0 | 0 | 112 | E183 E184 L190 E191 | E183-N187 VanDerWaalsContact O-CG 3.25Å; E183-N187 PolarHBondContact O-N 3.37Å; E183-N187 PolarHBondContact O-ND2 3.33Å; E184-N187 PolarHBondContact O-N 3.4Å; N187-L190 PolarHBondContact O-N 2.73Å; N187-E191 PolarHBondContact O-N 3.01Å |
| 188 | H | 97.1 | Very high | 97 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 12% | 0.12 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 174.7 | 175.3 | 79.8 | 0 | 0 | 0 | 112.3 | P174 G175 T176 G177 E184 A185 V186 L190 E191 I192 | P174-H188 PolarHBondContact O-NE2 3.35Å; G175-H188 PolarHBondContact O-CD2 2.81Å; T176-H188 VanDerWaalsContact C-CD2 3.41Å; G177-H188 VanDerWaalsContact CA-CE1 3.47Å; G177-H188 WeakPolarHBondContact CA-CE1 3.49Å; G177-H188 VanDerWaalsContact CA-ND1 3.32Å; G177-H188 WeakPolarHBondContact CA-ND1 3.45Å; G177-H188 PolarHBondContact N-CD2 3.31Å; G177-H188 PolarHBondContact N-CE1 3.03Å; G177-H188 PolarHBondContact N-ND1 3.44Å; G177-H188 PolarHBondContact N-NE2 2.82Å; E184-H188 PolarHBondContact O-N 3.13Å; A185-H188 PolarHBondContact O-N 3.28Å; V186-H188 VanDerWaalsContact C-N 3.32Å; V186-H188 PolarHBondContact O-N 3.18Å; H188-L190 VanDerWaalsContact C-N 3.31Å; H188-L190 PolarHBondContact O-N 3.18Å; H188-E191 WeakPolarHBondContact O-CB 3.32Å; H188-E191 PolarHBondContact O-N 3.45Å; H188-E191 VanDerWaalsContact O-N 3.16Å; H188-I192 PolarHBondContact O-N 3.05Å |
| 189 | V | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.8 | P174 A185 V186 E191 I192 C193 I200 A508 I509 V512 | P174-V189 HydrophobicContact CG-CG2 4.36Å; A185-V189 WeakPolarHBondContact O-CG2 3.31Å; A185-V189 PolarHBondContact O-N 3.23Å; V186-V189 PolarHBondContact O-N 3.15Å; V189-E191 VanDerWaalsContact C-N 3.33Å; V189-E191 PolarHBondContact O-N 2.76Å; V189-I192 PolarHBondContact O-N 2.75Å; V189-C193 PolarHBondContact O-N 3.4Å; V189-C193 PolarHBondContact O-SG 3.28Å; V189-I200 HydrophobicContact CG1-CG2 4.5Å; V189-A508 HydrophobicContact CG2-CB 3.97Å; V189-I509 HydrophobicContact CG1-CG1 4.23Å; V189-I509 HydrophobicContact CG2-CG1 4.17Å; V189-V512 HydrophobicContact CB-CG2 4.15Å; V189-V512 HydrophobicContact CG1-CB 4.25Å; V189-V512 HydrophobicContact CG1-CG1 4.4Å; V189-V512 HydrophobicContact CG1-CG2 3.84Å |
| 190 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 173.9 | -73.7 | 170.5 | 0 | 0 | 0 | 112.4 | V186 N187 H188 C193 A194 V512 M515 F520 K523 I527 | V186-L190 HydrophobicContact CG1-CD1 4.06Å; V186-L190 HydrophobicContact CG1-CG 4.48Å; V186-L190 WeakPolarHBondContact O-CB 3.32Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.2Å; N187-L190 PolarHBondContact O-N 2.73Å; H188-L190 VanDerWaalsContact C-N 3.31Å; H188-L190 PolarHBondContact O-N 3.18Å; L190-C193 PolarHBondContact O-N 2.95Å; L190-A194 VanDerWaalsContact O-CB 3.27Å; L190-A194 WeakPolarHBondContact O-CB 3.33Å; L190-A194 PolarHBondContact O-N 2.74Å; L190-V512 HydrophobicContact CD2-CG1 4.12Å; L190-V512 HydrophobicContact CD2-CG2 4.1Å; L190-V512 HydrophobicContact CG-CG2 4.01Å; L190-M515 HydrophobicContact CD1-CE 4.2Å; L190-M515 HydrophobicContact CD2-SD 4.1Å; L190-F520 HydrophobicContact CD2-CD2 4.02Å; L190-F520 HydrophobicContact CD2-CE2 4.05Å; L190-K523 HydrophobicContact CD1-CD 3.88Å; L190-I527 HydrophobicContact CB-CD1 3.92Å |
| 191 | E | 97.8 | Very high | 97.7 | Very high | 78 Ų | 78 | 31.7 Ų | 31.7 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 174.9 | -169.5 | -170.9 | 159.6 | 0 | 0 | 111.1 | N187 H188 V189 A194 N195 | N187-E191 PolarHBondContact O-N 3.01Å; H188-E191 WeakPolarHBondContact O-CB 3.32Å; H188-E191 PolarHBondContact O-N 3.45Å; H188-E191 VanDerWaalsContact O-N 3.16Å; V189-E191 VanDerWaalsContact C-N 3.33Å; V189-E191 PolarHBondContact O-N 2.76Å; E191-A194 PolarHBondContact O-N 3.41Å; E191-N195 WeakPolarHBondContact O-CB 3.34Å; E191-N195 PolarHBondContact O-N 2.85Å; E191-N195 PolarHBondContact O-ND2 3.23Å; E191-N195 PolarHBondContact O-OD1 2.91Å |
| 192 | I | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.8 | -63 | -62.8 | 0 | 0 | 0 | 111.1 | I24 H141 H188 V189 A194 N195 L196 | I24-I192 HydrophobicContact CD1-CG2 4.13Å; H141-I192 HydrophobicContact CB-CD1 3.95Å; H188-I192 PolarHBondContact O-N 3.05Å; V189-I192 PolarHBondContact O-N 2.75Å; I192-A194 VanDerWaalsContact C-N 3.28Å; I192-A194 PolarHBondContact O-N 3.19Å; I192-N195 PolarHBondContact O-N 3.29Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 WeakPolarHBondContact O-CB 3.32Å; I192-L196 PolarHBondContact O-N 2.82Å |
| 193 | C | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 173.9 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | V189 L190 D197 S198 F520 I524 | V189-C193 PolarHBondContact O-N 3.4Å; V189-C193 PolarHBondContact O-SG 3.28Å; L190-C193 PolarHBondContact O-N 2.95Å; C193-D197 CarbonylContact O-C 3.58Å; C193-D197 WeakPolarHBondContact O-CA 3.48Å; C193-D197 PolarHBondContact O-N 3.18Å; C193-S198 WeakPolarHBondContact CA-O 3.38Å; C193-S198 WeakPolarHBondContact CB-O 3.41Å; C193-S198 PolarHBondContact O-N 3.08Å; C193-F520 HydrophobicContact CB-CE2 4.14Å; C193-F520 HydrophobicContact CB-CZ 3.95Å; C193-I524 HydrophobicContact CB-CD1 3.72Å |
| 194 | A | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.7 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L190 E191 I192 L196 D197 I524 I527 Q528 | L190-A194 VanDerWaalsContact O-CB 3.27Å; L190-A194 WeakPolarHBondContact O-CB 3.33Å; L190-A194 PolarHBondContact O-N 2.74Å; E191-A194 PolarHBondContact O-N 3.41Å; I192-A194 VanDerWaalsContact C-N 3.28Å; I192-A194 PolarHBondContact O-N 3.19Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.92Å; A194-D197 PolarHBondContact O-N 3.4Å; A194-I524 HydrophobicContact CB-CD1 3.81Å; A194-I524 HydrophobicContact CB-CG2 4.3Å; A194-I527 HydrophobicContact CB-CB 3.76Å; A194-I527 HydrophobicContact CB-CD1 4.28Å; A194-I527 HydrophobicContact CB-CG2 3.48Å; A194-I527 VanDerWaalsContact CB-CG2 3.48Å; A194-Q528 HydrophobicContact CB-CG 4.23Å; A194-Q528 WeakPolarHBondContact O-CG 3.31Å; A194-Q528 PolarHBondContact O-NE2 3.24Å |
| 195 | N | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 176 | -68.1 | -19.1 | 0 | 0 | 0 | 111.1 | T140 M150 E191 I192 | T140-N195 HydrophobicContact CG2-CB 4.05Å; T140-N195 WeakPolarHBondContact O-CB 3.4Å; T140-N195 PolarHBondContact O-ND2 3.24Å; M150-N195 VanDerWaalsContact CB-O 3.23Å; M150-N195 WeakPolarHBondContact CB-O 3.24Å; E191-N195 WeakPolarHBondContact O-CB 3.34Å; E191-N195 PolarHBondContact O-N 2.85Å; E191-N195 PolarHBondContact O-ND2 3.23Å; E191-N195 PolarHBondContact O-OD1 2.91Å; I192-N195 PolarHBondContact O-N 3.29Å |
| 196 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -1 | 178.6 | -74.2 | 162.7 | 0 | 0 | 0 | 114.1 | I24 I134 C137 T140 M150 I167 I192 A194 S198 | I24-L196 HydrophobicContact CD1-CB 4.15Å; I24-L196 HydrophobicContact CD1-CD1 3.64Å; I24-L196 HydrophobicContact CG1-CB 4.39Å; I24-L196 HydrophobicContact CG1-CD1 3.83Å; I134-L196 HydrophobicContact CD1-CD2 3.63Å; C137-L196 HydrophobicContact CB-CD1 3.7Å; C137-L196 HydrophobicContact CB-CD2 4.37Å; T140-L196 HydrophobicContact CG2-CD2 3.94Å; T140-L196 HydrophobicContact CG2-CG 3.99Å; M150-L196 HydrophobicContact CG-CD2 4.19Å; I167-L196 HydrophobicContact CG2-CD2 4.22Å; I167-L196 WeakPolarHBondContact CG2-O 3.2Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 WeakPolarHBondContact O-CB 3.32Å; I192-L196 PolarHBondContact O-N 2.82Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.92Å; L196-S198 PolarHBondContact O-N 3.02Å; L196-S198 PolarHBondContact O-OG 2.93Å |
| 197 | D | 97.9 | Very high | 97 | Very high | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 40.4 | -173.2 | -165.8 | 43 | 0 | 0 | 0 | 113.6 | N22 Y153 K157 C193 A194 Q528 | N22-D197 WeakPolarHBondContact CB-O 3.32Å; N22-D197 PolarHBondContact ND2-O 2.89Å; N22-D197 VanDerWaalsContact ND2-O 3.1Å; N22-D197 PolarHBondContact ND2-OD2 3.32Å; Y153-D197 HydrophobicContact CD1-CB 4.37Å; Y153-D197 HydrophobicContact CE1-CB 3.61Å; Y153-D197 WeakPolarHBondContact CE1-OD2 3.39Å; Y153-D197 PolarHBondContact OH-OD2 3.19Å; Y153-D197 VanDerWaalsContact OH-OD2 3.12Å; K157-D197 WeakPolarHBondContact CD-OD2 3.47Å; K157-D197 IonicContact NZ-OD1 3.28Å; K157-D197 PolarHBondContact NZ-OD1 3.15Å; K157-D197 IonicContact NZ-OD2 2.7Å; C193-D197 CarbonylContact O-C 3.58Å; C193-D197 WeakPolarHBondContact O-CA 3.48Å; C193-D197 PolarHBondContact O-N 3.18Å; A194-D197 PolarHBondContact O-N 3.4Å; D197-Q528 PolarHBondContact OD1-NE2 3.45Å |
| 198 | S | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -136.7 | 148.7 | -163.9 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | N22 C193 L196 | N22-S198 WeakPolarHBondContact O-CA 3.4Å; C193-S198 WeakPolarHBondContact CA-O 3.38Å; C193-S198 WeakPolarHBondContact CB-O 3.41Å; C193-S198 PolarHBondContact O-N 3.08Å; L196-S198 PolarHBondContact O-N 3.02Å; L196-S198 PolarHBondContact O-OG 2.93Å | ||
| 199 | V | 97.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 145.4 | 167.3 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | N22 V23 I24 F520 | N22-V199 VanDerWaalsContact O-CG2 3.3Å; N22-V199 WeakPolarHBondContact O-CG2 3.44Å; N22-V199 PolarHBondContact O-N 3.02Å; V23-V199 CarbonylContact C-O 3.56Å; V23-V199 WeakPolarHBondContact CA-O 3.18Å; V23-V199 HydrophobicContact CG2-CG2 4.03Å; I24-V199 PolarHBondContact N-O 3.44Å; V199-F520 HydrophobicContact CB-CZ 4.49Å; V199-F520 HydrophobicContact CG1-CD1 4.09Å; V199-F520 HydrophobicContact CG1-CE1 3.46Å; V199-F520 VanDerWaalsContact CG1-CE1 3.46Å; V199-F520 HydrophobicContact CG1-CZ 3.85Å |
| 200 | I | 97.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130 | 175.7 | -169.1 | 163.9 | 0 | 0 | 0 | 111.8 | I24 W26 P174 V189 I509 V512 Q513 | I24-I200 HydrophobicContact CB-CB 4.3Å; I24-I200 HydrophobicContact CB-CG1 4.22Å; I24-I200 HydrophobicContact CG2-CD1 4.26Å; I24-I200 HydrophobicContact CG2-CG1 4.11Å; I24-I200 WeakPolarHBondContact O-CA 3.42Å; W26-I200 HydrophobicContact CB-CD1 4.06Å; W26-I200 HydrophobicContact CB-CG1 4.01Å; W26-I200 HydrophobicContact CG-CD1 4.47Å; P174-I200 HydrophobicContact CG-CD1 4.13Å; V189-I200 HydrophobicContact CG1-CG2 4.5Å; I200-I509 HydrophobicContact CD1-CD1 3.96Å; I200-I509 HydrophobicContact CD1-CG1 4.02Å; I200-I509 HydrophobicContact CD1-CG2 4.12Å; I200-I509 HydrophobicContact CG1-CG2 4.32Å; I200-I509 HydrophobicContact CG2-CG2 3.97Å; I200-V512 HydrophobicContact CG2-CG1 4.2Å; I200-Q513 HydrophobicContact CG2-CG 4.14Å; I200-Q513 WeakPolarHBondContact O-CG 3.38Å; I200-Q513 PolarHBondContact O-NE2 3.4Å; I200-Q513 VanDerWaalsContact O-NE2 3.14Å |
| 201 | V | 97.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.5 | -179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | V13 V23 I24 I25 W26 | V13-V201 HydrophobicContact CB-CG2 4.11Å; V13-V201 WeakPolarHBondContact O-CG2 3.06Å; V23-V201 HydrophobicContact CG1-CB 4.19Å; V23-V201 HydrophobicContact CG1-CG1 3.84Å; V23-V201 HydrophobicContact CG1-CG2 3.3Å; I24-V201 WeakPolarHBondContact O-CG2 3.13Å; I24-V201 PolarHBondContact O-N 2.82Å; I25-V201 HydrophobicContact CG1-CG2 4.17Å; W26-V201 WeakPolarHBondContact CB-O 3.45Å; W26-V201 PolarHBondContact N-O 3.22Å |
| 202 | S | 96 | Very high | 95.7 | Very high | 21 Ų | 21 | 46 Ų | 46 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | trans | -149.3 | 158.6 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | K204 Q513 | S202-K204 PolarHBondContact O-N 3.01Å; S202-Q513 PolarHBondContact OG-NE2 3.41Å; S202-Q513 PolarHBondContact OG-OE1 3.43Å | ||
| 203 | T | 94.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | trans | -64.6 | 133.2 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | E12 L27 Y206 I207 L210 | E12-T203 VanDerWaalsContact OE2-CA 3.29Å; E12-T203 WeakPolarHBondContact OE2-CA 3.49Å; E12-T203 WeakPolarHBondContact OE2-CB 2.97Å; E12-T203 PolarHBondContact OE2-OG1 3.43Å; L27-T203 HydrophobicContact CD2-CG2 4.43Å; T203-Y206 PolarHBondContact OG1-N 2.96Å; T203-I207 HydrophobicContact CG2-CG1 4.31Å; T203-L210 HydrophobicContact CG2-CB 4.38Å; T203-L210 HydrophobicContact CG2-CD2 3.47Å; T203-L210 VanDerWaalsContact CG2-CD2 3.47Å | ||
| 204 | K | 92.5 | Very high | 94.7 | Very high | 126 Ų | 126 | 51.1 Ų | 51.1 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -119 | -39.9 | 173.6 | -64.8 | -177 | -179.1 | -179.4 | 0 | 110.5 | E12 S202 | E12-K204 PolarHBondContact OE1-N 3.2Å; E12-K204 PolarHBondContact OE2-N 3.01Å; S202-K204 PolarHBondContact O-N 3.01Å |
| 205 | N | 95.3 | Very high | 94 | Very high | 124 Ų | 124 | 53.8 Ų | 53.8 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -86.4 | -24.1 | -173.8 | -61.4 | -43.4 | 0 | 0 | 0 | 113.1 | E12 | E12-N205 PolarHBondContact OE1-N 3.18Å; E12-N205 VanDerWaalsContact OE1-N 3.09Å; E12-N205 PolarHBondContact OE1-ND2 3.46Å; E12-N205 PolarHBondContact OE2-N 2.66Å |
| 206 | Y | 96.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | trans | -119.1 | 32.6 | -172.8 | -57.3 | -76 | 0 | 0 | 0 | 113.4 | S8 E12 T203 E209 L210 | S8-Y206 VanDerWaalsContact CB-CD1 3.48Å; E12-Y206 HydrophobicContact CB-CD2 4.1Å; E12-Y206 HydrophobicContact CB-CE2 4.31Å; E12-Y206 WeakPolarHBondContact OE2-CD2 3.35Å; T203-Y206 PolarHBondContact OG1-N 2.96Å; Y206-E209 PolarHBondContact O-N 2.87Å; Y206-L210 PolarHBondContact O-N 3.45Å; Y206-L210 VanDerWaalsContact O-N 3.07Å | ||
| 207 | I | 93.5 | Very high | 92.8 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 175.8 | -63.3 | 171.4 | 0 | 0 | 0 | 112.1 | T203 E209 L210 E211 | T203-I207 HydrophobicContact CG2-CG1 4.31Å; I207-E209 VanDerWaalsContact C-N 3.34Å; I207-E209 PolarHBondContact O-N 3.11Å; I207-L210 WeakPolarHBondContact O-CB 3.23Å; I207-L210 PolarHBondContact O-N 2.96Å; I207-L210 VanDerWaalsContact O-N 3.11Å; I207-E211 HydrophobicContact CG2-CG 4.29Å; I207-E211 PolarHBondContact O-N 3.43Å |
| 208 | P | 94.3 | Very high | 92.4 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61 | -40 | 179.4 | -24.9 | 35.6 | 0 | 0 | 0 | 113.3 | L210 E211 E212 | P208-L210 VanDerWaalsContact C-N 3.35Å; P208-E211 PolarHBondContact O-N 3.05Å; P208-E212 PolarHBondContact O-N 2.88Å; P208-E212 VanDerWaalsContact O-N 3.08Å |
| 209 | E | 94.9 | Very high | 92 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.3 | -173.6 | -169.9 | 163.1 | 0 | 0 | 110.9 | R7 S8 Y9 Y206 I207 E212 K213 | R7-E209 WeakPolarHBondContact CB-OE1 3.23Å; S8-E209 WeakPolarHBondContact CB-OE2 3.45Å; S8-E209 PolarHBondContact N-OE1 3.08Å; S8-E209 PolarHBondContact N-OE2 3.13Å; S8-E209 PolarHBondContact OG-OE2 3.31Å; Y9-E209 HydrophobicContact CD1-CG 4.22Å; Y206-E209 PolarHBondContact O-N 2.87Å; I207-E209 VanDerWaalsContact C-N 3.34Å; I207-E209 PolarHBondContact O-N 3.11Å; E209-E212 PolarHBondContact O-N 2.92Å; E209-K213 HydrophobicContact CG-CG 4.43Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.5Å; E209-K213 PolarHBondContact O-N 3.15Å |
| 210 | L | 92.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 71.8 Ų | 71.8 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 178 | 177 | 63.7 | 0 | 0 | 0 | 111.8 | Y9 P28 T203 Y206 I207 P208 E212 K213 V214 | Y9-L210 HydrophobicContact CD1-CB 4.16Å; Y9-L210 HydrophobicContact CD1-CD1 4.33Å; Y9-L210 HydrophobicContact CD2-CD1 3.96Å; Y9-L210 HydrophobicContact CE1-CD1 4.07Å; Y9-L210 HydrophobicContact CE2-CD1 3.7Å; Y9-L210 HydrophobicContact CG-CB 4.25Å; Y9-L210 HydrophobicContact CG-CD1 4.29Å; P28-L210 HydrophobicContact CG-CD1 3.85Å; P28-L210 HydrophobicContact CG-CD2 3.94Å; P28-L210 HydrophobicContact CG-CG 4.14Å; T203-L210 HydrophobicContact CG2-CB 4.38Å; T203-L210 HydrophobicContact CG2-CD2 3.47Å; T203-L210 VanDerWaalsContact CG2-CD2 3.47Å; Y206-L210 PolarHBondContact O-N 3.45Å; Y206-L210 VanDerWaalsContact O-N 3.07Å; I207-L210 WeakPolarHBondContact O-CB 3.23Å; I207-L210 PolarHBondContact O-N 2.96Å; I207-L210 VanDerWaalsContact O-N 3.11Å; P208-L210 VanDerWaalsContact C-N 3.35Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-K213 PolarHBondContact O-N 2.95Å; L210-V214 HydrophobicContact CD1-CB 4.45Å; L210-V214 HydrophobicContact CD1-CG2 3.78Å; L210-V214 WeakPolarHBondContact O-CB 3.38Å; L210-V214 PolarHBondContact O-N 3.29Å |
| 211 | E | 90 | Very high | 91.3 | Very high | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.8 | -36.4 | 179.7 | -69.9 | -179.5 | 159.2 | 0 | 0 | 112.2 | I207 P208 | I207-E211 HydrophobicContact CG2-CG 4.29Å; I207-E211 PolarHBondContact O-N 3.43Å; P208-E211 PolarHBondContact O-N 3.05Å |
| 212 | E | 89.5 | Confident | 90.9 | Very high | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 174.5 | -168.6 | -152.5 | 128.6 | 0 | 0 | 112.1 | P208 E209 L210 | P208-E212 PolarHBondContact O-N 2.88Å; P208-E212 VanDerWaalsContact O-N 3.08Å; E209-E212 PolarHBondContact O-N 2.92Å; L210-E212 VanDerWaalsContact C-N 3.34Å |
| 213 | K | 88.8 | Confident | 90.5 | Very high | 92 Ų | 92 | 76.8 Ų | 76.8 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -83.6 | -17.6 | -176.6 | -62.2 | -50.6 | -178.7 | -152.9 | 0 | 114 | E209 L210 | E209-K213 HydrophobicContact CG-CG 4.43Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.5Å; E209-K213 PolarHBondContact O-N 3.15Å; L210-K213 PolarHBondContact O-N 2.95Å |
| 214 | V | 87.4 | Confident | 90.3 | Very high | 20 Ų | 20 | 76.8 Ų | 76.8 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -129.2 | 78.3 | -178 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | P28 T29 L210 | P28-V214 HydrophobicContact CB-CG1 4.37Å; P28-V214 HydrophobicContact CG-CG1 4.2Å; T29-V214 VanDerWaalsContact O-CG1 3.23Å; T29-V214 WeakPolarHBondContact O-CG1 3.24Å; L210-V214 HydrophobicContact CD1-CB 4.45Å; L210-V214 HydrophobicContact CD1-CG2 3.78Å; L210-V214 WeakPolarHBondContact O-CB 3.38Å; L210-V214 PolarHBondContact O-N 3.29Å |
| 215 | P | 82.3 | Confident | 90.1 | Very high | 57 Ų | 57 | 76.2 Ų | 76.2 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 142.4 | 178.7 | 27.9 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 216 | R | 84.1 | Confident | 89.7 | Confident | 192 Ų | 192 | 77.5 Ų | 77.5 | 73% | 0.725 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 138.2 | 172.9 | -63.7 | -173.9 | -175.2 | -153.1 | 2.2 | 109.6 | E502 | R216-E502 IonicContact NH1-OE1 3.57Š|
| 217 | P | 88.1 | Confident | 89.2 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 150.2 | 175.9 | 28.5 | -35.4 | 0 | 0 | 0 | 111.2 | K219 S471 A474 S479 | P217-K219 PolarHBondContact O-N 3.19Å; P217-S471 VanDerWaalsContact CG-OG 3.26Å; P217-S471 WeakPolarHBondContact CG-OG 3.42Å; P217-A474 HydrophobicContact CB-CB 3.83Å; P217-A474 HydrophobicContact CG-CB 4.13Å; P217-S479 CarbonylContact C-O 3.4Å; P217-S479 WeakPolarHBondContact CA-O 3.3Å; P217-S479 WeakPolarHBondContact CB-O 3.38Å |
| 218 | Q | 89.3 | Confident | 88.8 | Confident | 144 Ų | 144 | 78 Ų | 78 | 67% | 0.673 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 117.2 | 171.7 | -172.7 | 178.8 | 8.2 | 0 | 0 | 109.4 | S479 Y481 | Q218-S479 PolarHBondContact N-O 2.76Å; Q218-Y481 PolarHBondContact O-N 2.98Å |
| 219 | K | 90.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 76 Ų | 76 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.4 | 178.1 | 180 | 158.7 | -174.1 | 176.5 | 0 | 111.3 | P217 F221 Y481 E495 E499 | P217-K219 PolarHBondContact O-N 3.19Å; K219-F221 HydrophobicContact CD-CE2 4.45Å; K219-F221 HydrophobicContact CG-CE2 4.28Å; K219-Y481 CarbonylContact C-O 3.52Å; K219-Y481 VanDerWaalsContact CA-O 3.3Å; K219-Y481 WeakPolarHBondContact CA-O 3.36Å; K219-Y481 HydrophobicContact CB-CD1 4.21Å; K219-Y481 HydrophobicContact CD-CD1 3.89Å; K219-Y481 HydrophobicContact CD-CE1 3.93Å; K219-Y481 HydrophobicContact CG-CD1 3.81Å; K219-Y481 HydrophobicContact CG-CE1 4.25Å; K219-E495 WeakPolarHBondContact CE-OE1 3.3Å; K219-E495 IonicContact NZ-OE1 2.82Å; K219-E495 PolarHBondContact NZ-OE1 3.19Å; K219-E499 VanDerWaalsContact CD-OE1 3.31Å; K219-E499 WeakPolarHBondContact CD-OE1 2.99Å; K219-E499 WeakPolarHBondContact CE-OE1 3.47Å; K219-E499 IonicContact NZ-OE1 2.69Å; K219-E499 PolarHBondContact NZ-OE1 3.08Å |
| 220 | T | 90.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 18% | 0.184 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.2 | 176.3 | 61 | 0 | 0 | 0 | 0 | 111.4 | D222 Q480 Y481 V483 | T220-D222 PolarHBondContact OG1-OD2 3.44Å; T220-Q480 HydrophobicContact CG2-CG 4.43Å; T220-Q480 PolarHBondContact OG1-NE2 3.45Å; T220-Y481 PolarHBondContact N-O 3Å; T220-V483 PolarHBondContact O-N 3Å |
| 221 | F | 88.6 | Confident | 88.9 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 106.1 | 171.6 | -70.3 | -89.2 | 0 | 0 | 0 | 109.1 | K219 I223 V483 E495 Y496 | K219-F221 HydrophobicContact CD-CE2 4.45Å; K219-F221 HydrophobicContact CG-CE2 4.28Å; F221-I223 HydrophobicContact CB-CD1 4.31Å; F221-I223 HydrophobicContact CB-CG1 4.06Å; F221-I223 PolarHBondContact O-N 3.43Å; F221-I223 VanDerWaalsContact O-N 3.17Å; F221-V483 HydrophobicContact CD1-CB 4.28Å; F221-E495 HydrophobicContact CE1-CB 3.93Å; F221-E495 HydrophobicContact CE1-CG 3.76Å; F221-E495 HydrophobicContact CZ-CB 4.47Å; F221-E495 HydrophobicContact CZ-CG 4.01Å; F221-Y496 HydrophobicContact CE1-CE1 4.31Å; F221-Y496 AromaticContact CE2-CE1 3.96Å; F221-Y496 HydrophobicContact CE2-CE1 3.96Å; F221-Y496 HydrophobicContact CZ-CD1 4.11Å; F221-Y496 AromaticContact CZ-CE1 3.7Å; F221-Y496 HydrophobicContact CZ-CE1 3.7Å |
| 222 | D | 88.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 76.8 | -178.9 | -77.3 | -57.2 | 0 | 0 | 0 | 109.1 | T220 K357 S482 V483 V484 A485 | T220-D222 PolarHBondContact OG1-OD2 3.44Å; D222-K357 HydrophobicContact CB-CD 4.3Å; D222-K357 HydrophobicContact CB-CG 3.95Å; D222-K357 WeakPolarHBondContact OD1-CE 3.5Å; D222-K357 IonicContact OD1-NZ 3.21Å; D222-K357 PolarHBondContact OD1-NZ 3.07Å; D222-S482 WeakPolarHBondContact OD2-CB 3.44Å; D222-S482 PolarHBondContact OD2-OG 3.29Å; D222-V483 PolarHBondContact N-O 3.42Å; D222-V484 HydrophobicContact CB-CG2 4.05Å; D222-A485 PolarHBondContact O-N 2.84Å; D222-A485 VanDerWaalsContact O-N 3.15Å |
| 223 | I | 88.9 | Confident | 89.5 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 41% | 0.41 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.8 | -172.6 | -55 | 178.6 | 0 | 0 | 0 | 110.7 | F221 A485 K487 I492 | F221-I223 HydrophobicContact CB-CD1 4.31Å; F221-I223 HydrophobicContact CB-CG1 4.06Å; F221-I223 PolarHBondContact O-N 3.43Å; F221-I223 VanDerWaalsContact O-N 3.17Å; I223-A485 CarbonylContact C-O 2.96Å; I223-A485 VanDerWaalsContact CA-O 3.31Å; I223-A485 WeakPolarHBondContact CA-O 3.44Å; I223-K487 HydrophobicContact CG2-CB 3.63Å; I223-K487 HydrophobicContact CG2-CG 4.17Å; I223-I492 HydrophobicContact CB-CD1 4.44Å; I223-I492 HydrophobicContact CD1-CD1 3.82Å; I223-I492 HydrophobicContact CG1-CD1 3.71Å; I223-I492 HydrophobicContact CG2-CD1 4.02Å |
| 224 | V | 90.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.7 | 173 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | P353 K354 K357 A485 Q486 K487 | V224-P353 HydrophobicContact CB-CB 4.16Å; V224-P353 HydrophobicContact CB-CG 4.49Å; V224-P353 HydrophobicContact CG2-CB 4.38Å; V224-P353 HydrophobicContact CG2-CG 4.26Å; V224-K354 HydrophobicContact CG2-CB 4.49Å; V224-K354 HydrophobicContact CG2-CG 3.63Å; V224-K357 HydrophobicContact CG1-CB 3.38Å; V224-K357 HydrophobicContact CG1-CD 4.43Å; V224-K357 HydrophobicContact CG1-CG 3.69Å; V224-A485 PolarHBondContact N-O 3.2Å; V224-Q486 HydrophobicContact CG2-CB 4.48Å; V224-Q486 CarbonylContact O-C 3.59Å; V224-Q486 WeakPolarHBondContact O-CA 3.24Å; V224-K487 PolarHBondContact O-N 3.33Å |
| 225 | E | 89 | Confident | 90.5 | Very high | 113 Ų | 113 | 63.6 Ų | 63.6 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 158.1 | 170 | -65.1 | -64.2 | 166.4 | 0 | 0 | 110.9 | P353 K487 | E225-P353 VanDerWaalsContact O-CG 3.28Å; E225-P353 WeakPolarHBondContact O-CG 3.41Å; E225-K487 WeakPolarHBondContact OE1-CD 3.34Å; E225-K487 IonicContact OE1-NZ 2.76Å; E225-K487 PolarHBondContact OE1-NZ 3.01Å; E225-K487 VanDerWaalsContact OE2-CD 3.29Å; E225-K487 WeakPolarHBondContact OE2-CD 3.41Å; E225-K487 IonicContact OE2-NZ 3.83Å |
| 226 | K | 85.1 | Confident | 91.2 | Very high | 151 Ų | 151 | 60.9 Ų | 60.9 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 151.7 | 172.8 | -167.1 | 176 | 178.2 | -176.1 | 0 | 109.5 | T228 | K226-T228 PolarHBondContact O-N 3.14Š|
| 227 | R | 87 | Confident | 91.9 | Very high | 36 Ų | 36 | 55 Ų | 55 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 133.8 | 166.5 | -63 | -176.8 | -166.3 | 176.9 | 0.4 | 109.7 | S229 D230 N299 N352 P353 | R227-S229 VanDerWaalsContact C-N 3.27Å; R227-D230 IonicContact CZ-OD1 3.88Å; R227-D230 IonicContact NH1-OD1 2.76Å; R227-D230 PolarHBondContact NH1-OD1 3.35Å; R227-N299 PolarHBondContact NH1-ND2 3.42Å; R227-N299 PolarHBondContact NH1-OD1 3.35Å; R227-N299 PolarHBondContact NH2-O 3.36Å; R227-N299 PolarHBondContact NH2-OD1 2.97Å; R227-N352 VanDerWaalsContact NH2-CB 3.31Å; R227-N352 PolarHBondContact NH2-ND2 2.92Å; R227-P353 HydrophobicContact CG-CG 4.41Å |
| 228 | T | 84.9 | Confident | 92.4 | Very high | 151 Ų | 151 | 59.1 Ų | 59.1 | 93% | 0.926 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.2 | -32.4 | 174.9 | 49 | 0 | 0 | 0 | 0 | 111.5 | K226 | K226-T228 PolarHBondContact O-N 3.14Š|
| 229 | S | 91.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | -146.6 | 141.5 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | R227 | R227-S229 VanDerWaalsContact C-N 3.27Š| ||
| 230 | D | 94.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | trans | -134.8 | 66.3 | 179.3 | -174.7 | 27.3 | 0 | 0 | 0 | 110.8 | R227 F232 G233 D234 N299 | R227-D230 IonicContact CZ-OD1 3.88Å; R227-D230 IonicContact NH1-OD1 2.76Å; R227-D230 PolarHBondContact NH1-OD1 3.35Å; D230-F232 PolarHBondContact O-N 3.37Å; D230-G233 PolarHBondContact O-N 2.93Å; D230-G233 PolarHBondContact OD1-N 3.47Å; D230-D234 PolarHBondContact O-N 3.38Å; D230-N299 PolarHBondContact OD1-ND2 3.37Å; D230-N299 PolarHBondContact OD2-ND2 3.48Å | ||
| 231 | P | 96.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 13% | 0.13 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -31.5 | -174.3 | 25.8 | -34.3 | 0 | 0 | 0 | 112.5 | H235 F344 Y350 | P231-H235 WeakPolarHBondContact O-CB 3.44Å; P231-H235 PolarHBondContact O-N 3.43Å; P231-F344 HydrophobicContact CB-CD1 3.89Å; P231-F344 HydrophobicContact CB-CE1 3.94Å; P231-F344 HydrophobicContact CB-CG 4.21Å; P231-F344 HydrophobicContact CB-CZ 4.26Å; P231-F344 HydrophobicContact CG-CD1 4Å; P231-F344 HydrophobicContact CG-CE1 4.44Å; P231-F344 HydrophobicContact CG-CG 4.38Å; P231-Y350 HydrophobicContact CG-CD1 3.92Å; P231-Y350 HydrophobicContact CG-CD2 3.54Å; P231-Y350 HydrophobicContact CG-CE1 3.91Å; P231-Y350 HydrophobicContact CG-CE2 3.56Å; P231-Y350 HydrophobicContact CG-CG 3.73Å |
| 232 | F | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 173.1 | -179.8 | -92.8 | 0 | 0 | 0 | 111.8 | D230 H235 I236 N299 M304 A307 L341 F344 A345 | D230-F232 PolarHBondContact O-N 3.37Å; F232-H235 PolarHBondContact O-N 2.92Å; F232-I236 HydrophobicContact CD1-CD1 3.96Å; F232-I236 HydrophobicContact CE1-CD1 3.28Å; F232-I236 HydrophobicContact CE1-CG1 4.32Å; F232-I236 HydrophobicContact CE2-CD1 4.4Å; F232-I236 HydrophobicContact CZ-CD1 3.56Å; F232-I236 HydrophobicContact CZ-CG1 4.47Å; F232-I236 PolarHBondContact O-N 3.46Å; F232-N299 HydrophobicContact CD1-CB 4.22Å; F232-N299 HydrophobicContact CE1-CB 4.17Å; F232-M304 HydrophobicContact CB-CG 4.01Å; F232-M304 HydrophobicContact CB-SD 3.51Å; F232-M304 VanDerWaalsContact CB-SD 3.51Å; F232-M304 HydrophobicContact CD1-CB 4.27Å; F232-M304 HydrophobicContact CD1-CG 4.1Å; F232-M304 HydrophobicContact CD2-CB 4.42Å; F232-M304 HydrophobicContact CG-CB 4.16Å; F232-M304 HydrophobicContact CG-CG 4.04Å; F232-M304 HydrophobicContact CG-SD 4.14Å; F232-A307 HydrophobicContact CE1-CB 3.59Å; F232-A307 HydrophobicContact CZ-CB 3.81Å; F232-L341 HydrophobicContact CD2-CD2 3.96Å; F232-L341 HydrophobicContact CE2-CB 4.33Å; F232-L341 HydrophobicContact CE2-CD2 3.83Å; F232-F344 HydrophobicContact CB-CB 3.99Å; F232-F344 HydrophobicContact CD2-CB 4.29Å; F232-A345 HydrophobicContact CD2-CB 3.99Å; F232-A345 HydrophobicContact CE2-CB 3.98Å |
| 233 | G | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | D230 I236 K237 | D230-G233 PolarHBondContact O-N 2.93Å; D230-G233 PolarHBondContact OD1-N 3.47Å; G233-I236 PolarHBondContact O-N 3.07Å; G233-K237 WeakPolarHBondContact O-CG 3.35Å; G233-K237 PolarHBondContact O-N 2.94Å |
| 234 | D | 97.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 177.6 | -67.2 | -27.2 | 0 | 0 | 0 | 111.8 | D230 K237 W238 | D230-D234 PolarHBondContact O-N 3.38Å; D234-K237 PolarHBondContact O-N 3.46Å; D234-K237 IonicContact OD1-NZ 3.66Å; D234-W238 PolarHBondContact O-N 3.18Å |
| 235 | H | 98.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.102 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.4 | -170 | 93.8 | 0 | 0 | 0 | 111.9 | P231 F232 K237 W238 M239 N337 E340 L341 F344 | P231-H235 WeakPolarHBondContact O-CB 3.44Å; P231-H235 PolarHBondContact O-N 3.43Å; F232-H235 PolarHBondContact O-N 2.92Å; H235-K237 VanDerWaalsContact C-N 3.33Å; H235-K237 PolarHBondContact O-N 3.38Å; H235-W238 WeakPolarHBondContact O-CB 3.5Å; H235-W238 PolarHBondContact O-N 3.28Å; H235-M239 WeakPolarHBondContact O-CG 3.27Å; H235-M239 PolarHBondContact O-N 3.07Å; H235-N337 PolarHBondContact CE1-OD1 3.48Å; H235-N337 VanDerWaalsContact CE1-OD1 3.23Å; H235-N337 WeakPolarHBondContact NE2-CB 3.47Å; H235-N337 PolarHBondContact NE2-OD1 3.4Å; H235-N337 VanDerWaalsContact NE2-OD1 3.12Å; H235-E340 IonicContact CE1-OE2 3.06Å; H235-E340 PolarHBondContact CE1-OE2 2.95Å; H235-E340 IonicContact ND1-OE2 3.57Å; H235-L341 HydrophobicContact CB-CD2 4.4Å; H235-F344 HydrophobicContact CB-CD2 4.27Å; H235-F344 HydrophobicContact CB-CE2 4.03Å |
| 236 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 172.6 | -72.2 | 179.2 | 0 | 0 | 0 | 111.2 | F232 G233 W238 M239 M240 Y292 A295 L296 L311 L341 | F232-I236 HydrophobicContact CD1-CD1 3.96Å; F232-I236 HydrophobicContact CE1-CD1 3.28Å; F232-I236 HydrophobicContact CE1-CG1 4.32Å; F232-I236 HydrophobicContact CE2-CD1 4.4Å; F232-I236 HydrophobicContact CZ-CD1 3.56Å; F232-I236 HydrophobicContact CZ-CG1 4.47Å; F232-I236 PolarHBondContact O-N 3.46Å; G233-I236 PolarHBondContact O-N 3.07Å; I236-W238 VanDerWaalsContact C-N 3.29Å; I236-W238 PolarHBondContact O-N 3.5Å; I236-M239 PolarHBondContact O-N 3.32Å; I236-M240 HydrophobicContact CG2-CG 4.31Å; I236-M240 HydrophobicContact CG2-SD 3.95Å; I236-M240 VanDerWaalsContact O-CG 3.31Å; I236-M240 WeakPolarHBondContact O-CG 3.44Å; I236-M240 PolarHBondContact O-N 3.1Å; I236-Y292 HydrophobicContact CG2-CD1 3.87Å; I236-Y292 HydrophobicContact CG2-CG 4.35Å; I236-A295 HydrophobicContact CD1-CB 4.03Å; I236-L296 HydrophobicContact CB-CD2 3.92Å; I236-L296 HydrophobicContact CB-CG 4.37Å; I236-L296 HydrophobicContact CD1-CD2 4.44Å; I236-L296 HydrophobicContact CG2-CD1 4.06Å; I236-L296 HydrophobicContact CG2-CD2 3.81Å; I236-L296 HydrophobicContact CG2-CG 3.68Å; I236-L311 HydrophobicContact CD1-CD1 3.89Å; I236-L311 HydrophobicContact CG1-CD1 4.41Å; I236-L341 HydrophobicContact CG1-CD2 3.92Å |
| 237 | K | 98.2 | Very high | 95.4 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 29% | 0.291 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.9 | -72.5 | 169.8 | -173.2 | 169.5 | 0 | 111.8 | G233 D234 H235 M240 Q241 C258 L296 | G233-K237 WeakPolarHBondContact O-CG 3.35Å; G233-K237 PolarHBondContact O-N 2.94Å; D234-K237 PolarHBondContact O-N 3.46Å; D234-K237 IonicContact OD1-NZ 3.66Å; H235-K237 VanDerWaalsContact C-N 3.33Å; H235-K237 PolarHBondContact O-N 3.38Å; K237-M240 WeakPolarHBondContact O-CB 3.21Å; K237-M240 PolarHBondContact O-N 3.03Å; K237-Q241 WeakPolarHBondContact O-CG 3.45Å; K237-Q241 PolarHBondContact O-N 3.37Å; K237-C258 HydrophobicContact CG-CB 4.3Å; K237-L296 HydrophobicContact CG-CD1 4.02Å; K237-L296 HydrophobicContact CG-CD2 4.47Å |
| 238 | W | 98.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 173.5 | 171.7 | 83 | 0 | 0 | 0 | 111.9 | D234 H235 I236 M240 Q241 Q242 N337 | D234-W238 PolarHBondContact O-N 3.18Å; H235-W238 WeakPolarHBondContact O-CB 3.5Å; H235-W238 PolarHBondContact O-N 3.28Å; I236-W238 VanDerWaalsContact C-N 3.29Å; I236-W238 PolarHBondContact O-N 3.5Å; W238-M240 VanDerWaalsContact C-N 3.29Å; W238-M240 PolarHBondContact O-N 3.38Å; W238-Q241 WeakPolarHBondContact O-CA 3.43Å; W238-Q241 WeakPolarHBondContact O-CB 3.26Å; W238-Q241 PolarHBondContact O-N 2.99Å; W238-Q242 HydrophobicContact CD2-CG 4.28Å; W238-Q242 HydrophobicContact CH2-CG 4.06Å; W238-Q242 HydrophobicContact CZ2-CG 3.79Å; W238-Q242 HydrophobicContact CZ3-CG 4.42Å; W238-Q242 PolarHBondContact O-N 3.22Å; W238-N337 WeakPolarHBondContact CZ3-OD1 3.23Å |
| 239 | M | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.8 | -63.2 | 174.8 | 77.8 | 0 | 0 | 111.7 | H235 I236 Q241 Q242 I243 Y292 L333 F334 N337 L341 | H235-M239 WeakPolarHBondContact O-CG 3.27Å; H235-M239 PolarHBondContact O-N 3.07Å; I236-M239 PolarHBondContact O-N 3.32Å; M239-Q241 VanDerWaalsContact C-N 3.29Å; M239-Q241 PolarHBondContact O-N 3.12Å; M239-Q242 WeakPolarHBondContact O-CB 3.36Å; M239-Q242 PolarHBondContact O-N 2.9Å; M239-Q242 VanDerWaalsContact O-N 3.15Å; M239-I243 WeakPolarHBondContact O-CG1 3.3Å; M239-I243 PolarHBondContact O-N 3.34Å; M239-I243 VanDerWaalsContact O-N 3.12Å; M239-Y292 HydrophobicContact CB-CE1 4.45Å; M239-Y292 HydrophobicContact CE-CE1 3.82Å; M239-Y292 WeakPolarHBondContact CE-OH 3.46Å; M239-Y292 HydrophobicContact SD-CE1 3.99Å; M239-L333 HydrophobicContact CB-CD2 4.38Å; M239-L333 HydrophobicContact CE-CG 4.01Å; M239-L333 WeakPolarHBondContact CE-O 3.11Å; M239-F334 HydrophobicContact CE-CD2 4.5Å; M239-N337 HydrophobicContact CE-CB 3.79Å; M239-N337 HydrophobicContact SD-CB 3.97Å; M239-L341 HydrophobicContact CE-CD1 4.43Å; M239-L341 HydrophobicContact SD-CD1 3.84Å; M239-L341 HydrophobicContact SD-CG 4.43Å |
| 240 | M | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 174.4 | -67.3 | 173.6 | 76.3 | 0 | 0 | 111.9 | I236 K237 W238 I243 H244 C258 Y263 L289 Y292 N293 L296 | I236-M240 HydrophobicContact CG2-CG 4.31Å; I236-M240 HydrophobicContact CG2-SD 3.95Å; I236-M240 VanDerWaalsContact O-CG 3.31Å; I236-M240 WeakPolarHBondContact O-CG 3.44Å; I236-M240 PolarHBondContact O-N 3.1Å; K237-M240 WeakPolarHBondContact O-CB 3.21Å; K237-M240 PolarHBondContact O-N 3.03Å; W238-M240 VanDerWaalsContact C-N 3.29Å; W238-M240 PolarHBondContact O-N 3.38Å; M240-I243 PolarHBondContact O-N 3.38Å; M240-H244 VanDerWaalsContact O-CG 3.32Å; M240-H244 PolarHBondContact O-N 2.83Å; M240-H244 PolarHBondContact O-ND1 2.98Å; M240-C258 HydrophobicContact CE-CB 3.78Å; M240-C258 WeakPolarHBondContact CE-SG 3.38Å; M240-C258 HydrophobicContact SD-CB 3.97Å; M240-Y263 HydrophobicContact CE-CD1 4.12Å; M240-Y263 HydrophobicContact CE-CE1 3.25Å; M240-Y263 HydrophobicContact CE-CE2 4.45Å; M240-Y263 VanDerWaalsContact CE-CZ 3.44Å; M240-Y263 VanDerWaalsContact CE-OH 3.28Å; M240-Y263 WeakPolarHBondContact CE-OH 3.36Å; M240-L289 HydrophobicContact CB-CD2 3.8Å; M240-L289 HydrophobicContact CE-CD2 4.23Å; M240-L289 HydrophobicContact CG-CD2 3.98Å; M240-Y292 HydrophobicContact CG-CG 4.1Å; M240-N293 HydrophobicContact CE-CB 4.21Å; M240-L296 HydrophobicContact SD-CD1 3.67Å |
| 241 | Q | 96.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 46 Ų | 46 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.6 | -37.2 | 173.6 | -69.9 | 169.4 | -7.1 | 0 | 0 | 112.4 | K237 W238 M239 I243 H244 G245 | K237-Q241 WeakPolarHBondContact O-CG 3.45Å; K237-Q241 PolarHBondContact O-N 3.37Å; W238-Q241 WeakPolarHBondContact O-CA 3.43Å; W238-Q241 WeakPolarHBondContact O-CB 3.26Å; W238-Q241 PolarHBondContact O-N 2.99Å; M239-Q241 VanDerWaalsContact C-N 3.29Å; M239-Q241 PolarHBondContact O-N 3.12Å; Q241-I243 VanDerWaalsContact C-N 3.29Å; Q241-I243 PolarHBondContact O-N 2.68Å; Q241-H244 WeakPolarHBondContact O-CB 3.36Å; Q241-H244 PolarHBondContact O-N 3.37Å; Q241-G245 PolarHBondContact O-N 2.74Å |
| 242 | Q | 97.4 | Very high | 94 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.7 | -59.7 | -48.6 | -57.7 | 0 | 0 | 111.1 | W238 M239 G245 F246 L333 | W238-Q242 HydrophobicContact CD2-CG 4.28Å; W238-Q242 HydrophobicContact CH2-CG 4.06Å; W238-Q242 HydrophobicContact CZ2-CG 3.79Å; W238-Q242 HydrophobicContact CZ3-CG 4.42Å; W238-Q242 PolarHBondContact O-N 3.22Å; M239-Q242 WeakPolarHBondContact O-CB 3.36Å; M239-Q242 PolarHBondContact O-N 2.9Å; M239-Q242 VanDerWaalsContact O-N 3.15Å; Q242-G245 PolarHBondContact O-N 3.06Å; Q242-F246 PolarHBondContact O-N 3.06Å; Q242-L333 HydrophobicContact CB-CD1 4.28Å; Q242-L333 HydrophobicContact CB-CD2 4.08Å; Q242-L333 HydrophobicContact CG-CD1 4.37Å |
| 243 | I | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -39 | 175.9 | -60.7 | 169.9 | 0 | 0 | 0 | 111.3 | M239 M240 Q241 G245 F246 M247 C285 L289 Y292 F329 L330 L333 | M239-I243 WeakPolarHBondContact O-CG1 3.3Å; M239-I243 PolarHBondContact O-N 3.34Å; M239-I243 VanDerWaalsContact O-N 3.12Å; M240-I243 PolarHBondContact O-N 3.38Å; Q241-I243 VanDerWaalsContact C-N 3.29Å; Q241-I243 PolarHBondContact O-N 2.68Å; I243-G245 VanDerWaalsContact C-N 3.33Å; I243-G245 PolarHBondContact O-N 3.39Å; I243-F246 PolarHBondContact O-N 3.37Å; I243-M247 HydrophobicContact CG2-CE 4.24Å; I243-M247 WeakPolarHBondContact O-CG 3.36Å; I243-M247 PolarHBondContact O-N 3.19Å; I243-C285 HydrophobicContact CG2-CB 3.76Å; I243-L289 HydrophobicContact CB-CD2 3.89Å; I243-L289 HydrophobicContact CB-CG 4.35Å; I243-L289 HydrophobicContact CD1-CD2 4.2Å; I243-L289 HydrophobicContact CG2-CD1 4.16Å; I243-L289 HydrophobicContact CG2-CD2 3.9Å; I243-L289 HydrophobicContact CG2-CG 3.78Å; I243-Y292 HydrophobicContact CD1-CD2 3.8Å; I243-Y292 HydrophobicContact CD1-CE2 3.51Å; I243-F329 HydrophobicContact CG1-CE1 4.26Å; I243-L330 HydrophobicContact CD1-CD2 3.86Å; I243-L330 HydrophobicContact CG1-CD2 3.82Å; I243-L330 HydrophobicContact CG2-CD2 4.03Å; I243-L333 HydrophobicContact CD1-CD2 4.12Å; I243-L333 HydrophobicContact CG1-CD2 3.68Å |
| 244 | H | 95.2 | Very high | 93.4 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 172.8 | -69.1 | 156.7 | 0 | 0 | 0 | 112.4 | M240 Q241 M247 L249 L255 Y263 L289 | M240-H244 VanDerWaalsContact O-CG 3.32Å; M240-H244 PolarHBondContact O-N 2.83Å; M240-H244 PolarHBondContact O-ND1 2.98Å; Q241-H244 WeakPolarHBondContact O-CB 3.36Å; Q241-H244 PolarHBondContact O-N 3.37Å; H244-M247 WeakPolarHBondContact O-CG 3.36Å; H244-L249 HydrophobicContact CB-CD1 3.96Å; H244-L255 VanDerWaalsContact NE2-CD1 3.33Å; H244-L255 WeakPolarHBondContact NE2-CD1 3.26Å; H244-Y263 PolarHBondContact CE1-OH 2.92Å; H244-Y263 VanDerWaalsContact CE1-OH 3.23Å; H244-Y263 AromaticContact NE2-CZ 3.9Å; H244-Y263 PolarHBondContact NE2-OH 2.87Å; H244-L289 WeakPolarHBondContact NE2-CD1 3.38Å |
| 245 | G | 93.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 58 Ų | 58 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q241 Q242 I243 M247 | Q241-G245 PolarHBondContact O-N 2.74Å; Q242-G245 PolarHBondContact O-N 3.06Å; I243-G245 VanDerWaalsContact C-N 3.33Å; I243-G245 PolarHBondContact O-N 3.39Å; G245-M247 PolarHBondContact O-N 2.83Å |
| 246 | F | 95.3 | Very high | 93.1 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.7 | -179 | -99 | 0 | 0 | 0 | 112.9 | Q242 I243 S248 L281 T326 F329 | Q242-F246 PolarHBondContact O-N 3.06Å; I243-F246 PolarHBondContact O-N 3.37Å; F246-S248 VanDerWaalsContact C-N 3.32Å; F246-S248 PolarHBondContact O-N 2.83Å; F246-L281 HydrophobicContact CD1-CD2 4.37Å; F246-L281 HydrophobicContact CE1-CD1 3.95Å; F246-L281 HydrophobicContact CE1-CD2 4.19Å; F246-L281 HydrophobicContact CE1-CG 3.95Å; F246-L281 HydrophobicContact CZ-CD1 4.27Å; F246-T326 HydrophobicContact CE1-CG2 3.94Å; F246-F329 HydrophobicContact CB-CD1 4.06Å; F246-F329 HydrophobicContact CB-CE1 3.43Å; F246-F329 VanDerWaalsContact CB-CE1 3.43Å; F246-F329 HydrophobicContact CB-CE2 4.4Å; F246-F329 HydrophobicContact CB-CZ 3.63Å; F246-F329 AromaticContact CD1-CD1 3.6Å; F246-F329 HydrophobicContact CD1-CD1 3.6Å; F246-F329 AromaticContact CD1-CE1 3.82Å; F246-F329 HydrophobicContact CD1-CE1 3.82Å; F246-F329 HydrophobicContact CD1-CG 4.34Å; F246-F329 HydrophobicContact CD2-CB 4.49Å; F246-F329 AromaticContact CD2-CD1 3.79Å; F246-F329 HydrophobicContact CD2-CD1 3.79Å; F246-F329 HydrophobicContact CD2-CD2 4.01Å; F246-F329 AromaticContact CD2-CE1 3.98Å; F246-F329 HydrophobicContact CD2-CE1 3.98Å; F246-F329 HydrophobicContact CD2-CE2 4.17Å; F246-F329 AromaticContact CD2-CG 3.81Å; F246-F329 HydrophobicContact CD2-CG 3.81Å; F246-F329 HydrophobicContact CD2-CZ 4.16Å; F246-F329 AromaticContact CE1-CD1 3.94Å; F246-F329 HydrophobicContact CE1-CD1 3.94Å; F246-F329 HydrophobicContact CE1-CG 4.4Å; F246-F329 HydrophobicContact CE2-CB 4.05Å; F246-F329 HydrophobicContact CE2-CD1 4.11Å; F246-F329 HydrophobicContact CE2-CD2 4.3Å; F246-F329 AromaticContact CE2-CG 3.87Å; F246-F329 HydrophobicContact CE2-CG 3.87Å; F246-F329 AromaticContact CG-CD1 3.52Å; F246-F329 HydrophobicContact CG-CD1 3.52Å; F246-F329 HydrophobicContact CG-CD2 4.47Å; F246-F329 AromaticContact CG-CE1 3.46Å; F246-F329 HydrophobicContact CG-CE1 3.46Å; F246-F329 VanDerWaalsContact CG-CE1 3.46Å; F246-F329 HydrophobicContact CG-CE2 4.41Å; F246-F329 HydrophobicContact CG-CG 4.05Å; F246-F329 AromaticContact CG-CZ 3.93Å; F246-F329 HydrophobicContact CG-CZ 3.93Å; F246-F329 HydrophobicContact CZ-CB 4.07Å; F246-F329 HydrophobicContact CZ-CD1 4.17Å; F246-F329 HydrophobicContact CZ-CG 4.18Å |
| 247 | M | 92.1 | Very high | 93 | Very high | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75 | -16.3 | -175.3 | 69.9 | 168 | 46.2 | 0 | 0 | 115.5 | I243 H244 G245 L249 L270 L281 L282 C285 L289 | I243-M247 HydrophobicContact CG2-CE 4.24Å; I243-M247 WeakPolarHBondContact O-CG 3.36Å; I243-M247 PolarHBondContact O-N 3.19Å; H244-M247 WeakPolarHBondContact O-CG 3.36Å; G245-M247 PolarHBondContact O-N 2.83Å; M247-L249 HydrophobicContact CG-CG 4.21Å; M247-L249 HydrophobicContact SD-CD1 4.27Å; M247-L249 HydrophobicContact SD-CD2 4.16Å; M247-L249 HydrophobicContact SD-CG 3.68Å; M247-L270 HydrophobicContact CE-CD2 4.23Å; M247-L270 HydrophobicContact SD-CD2 3.99Å; M247-L281 HydrophobicContact CB-CD2 4.01Å; M247-L282 HydrophobicContact CE-CD1 4.47Å; M247-L282 HydrophobicContact SD-CD1 4.13Å; M247-C285 HydrophobicContact CB-CB 4.13Å; M247-C285 HydrophobicContact CE-CB 3.22Å; M247-L289 HydrophobicContact CE-CD1 3.47Å; M247-L289 VanDerWaalsContact CE-CD1 3.47Å; M247-L289 HydrophobicContact SD-CD1 4.43Å |
| 248 | S | 81.1 | Confident | 92.9 | Very high | 98 Ų | 98 | 67.5 Ų | 67.5 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 70.1 | -171.1 | -63.1 | 0 | 0 | 0 | 0 | 112 | F246 | F246-S248 VanDerWaalsContact C-N 3.32Å; F246-S248 PolarHBondContact O-N 2.83Å |
| 249 | L | 85.9 | Confident | 92.6 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | trans | -42.1 | 130.2 | -177.3 | -99.1 | 146.4 | 0 | 0 | 0 | 112.9 | H244 M247 V253 L255 L270 | H244-L249 HydrophobicContact CB-CD1 3.96Å; M247-L249 HydrophobicContact CG-CG 4.21Å; M247-L249 HydrophobicContact SD-CD1 4.27Å; M247-L249 HydrophobicContact SD-CD2 4.16Å; M247-L249 HydrophobicContact SD-CG 3.68Å; L249-V253 HydrophobicContact CD2-CB 4.13Å; L249-V253 HydrophobicContact CD2-CG1 3.71Å; L249-L255 HydrophobicContact CD1-CD1 4.06Å; L249-L255 HydrophobicContact CD2-CD1 3.84Å; L249-L255 HydrophobicContact CD2-CG 3.95Å; L249-L270 HydrophobicContact CD2-CD2 4.35Å | ||
| 250 | P | 84.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 64 Ų | 64 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | trans | -55.4 | 137.3 | 176.7 | -25.8 | 33.6 | 0 | 0 | 0 | 111.5 | D252 V253 L282 | P250-D252 VanDerWaalsContact CB-OD1 3.28Å; P250-D252 WeakPolarHBondContact CB-OD1 3.27Å; P250-D252 PolarHBondContact O-N 3.43Å; P250-V253 HydrophobicContact CB-CB 4.47Å; P250-V253 HydrophobicContact CB-CG2 3.92Å; P250-V253 HydrophobicContact CG-CG2 4.17Å; P250-V253 PolarHBondContact O-N 2.78Å; P250-L282 HydrophobicContact CG-CD2 4.42Å | ||
| 251 | P | 85.6 | Confident | 91.8 | Very high | 111 Ų | 111 | 67 Ų | 67 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.6 | -172.9 | -26 | 33.9 | 0 | 0 | 0 | 114.8 | R254 | P251-R254 PolarHBondContact O-NH1 3.31Å; P251-R254 PolarHBondContact O-NH2 2.93Å |
| 252 | D | 90.1 | Very high | 91.6 | Very high | 109 Ų | 109 | 65 Ų | 65 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.5 | 179 | 65.2 | -58.2 | 0 | 0 | 0 | 113.5 | P250 R273 | P250-D252 VanDerWaalsContact CB-OD1 3.28Å; P250-D252 WeakPolarHBondContact CB-OD1 3.27Å; P250-D252 PolarHBondContact O-N 3.43Å; D252-R273 IonicContact OD1-CZ 2.66Å; D252-R273 IonicContact OD1-NH1 3.23Å; D252-R273 PolarHBondContact OD1-NH1 3.36Å; D252-R273 IonicContact OD1-NH2 3.49Å; D252-R273 PolarHBondContact OD1-NH2 2.93Å; D252-R273 IonicContact OD2-CZ 2.82Å; D252-R273 IonicContact OD2-NH1 3.78Å; D252-R273 PolarHBondContact OD2-NH1 3.1Å; D252-R273 IonicContact OD2-NH2 3.15Å; D252-R273 PolarHBondContact OD2-NH2 3.34Å |
| 253 | V | 89 | Confident | 91.5 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | trans | -90.1 | 134.7 | -180 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | L249 P250 L255 L270 R273 | L249-V253 HydrophobicContact CD2-CB 4.13Å; L249-V253 HydrophobicContact CD2-CG1 3.71Å; P250-V253 HydrophobicContact CB-CB 4.47Å; P250-V253 HydrophobicContact CB-CG2 3.92Å; P250-V253 HydrophobicContact CG-CG2 4.17Å; P250-V253 PolarHBondContact O-N 2.78Å; V253-L255 HydrophobicContact CG1-CD2 3.77Å; V253-L255 HydrophobicContact CG1-CG 4.19Å; V253-L270 HydrophobicContact CG1-CD1 4.19Å; V253-L270 HydrophobicContact CG2-CD1 4.13Å; V253-R273 VanDerWaalsContact CG2-NH1 3.27Å | ||
| 254 | R | 91.7 | Very high | 91.4 | Very high | 188 Ų | 188 | 63.3 Ų | 63.3 | 71% | 0.709 | 34% | 0.336 | S | S | * | . | trans | -126.3 | 113.6 | 170 | -65.2 | -67.7 | 178.6 | -85.4 | -4.4 | 108.1 | P251 | P251-R254 PolarHBondContact O-NH1 3.31Å; P251-R254 PolarHBondContact O-NH2 2.93Å | ||
| 255 | L | 93.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 63.6 Ų | 63.6 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | trans | -87.5 | 139.5 | 175.2 | -57.5 | -177.7 | 0 | 0 | 0 | 109.4 | H244 L249 V253 Y263 D266 L270 | H244-L255 VanDerWaalsContact NE2-CD1 3.33Å; H244-L255 WeakPolarHBondContact NE2-CD1 3.26Å; L249-L255 HydrophobicContact CD1-CD1 4.06Å; L249-L255 HydrophobicContact CD2-CD1 3.84Å; L249-L255 HydrophobicContact CD2-CG 3.95Å; V253-L255 HydrophobicContact CG1-CD2 3.77Å; V253-L255 HydrophobicContact CG1-CG 4.19Å; L255-Y263 HydrophobicContact CB-CD2 4.15Å; L255-Y263 HydrophobicContact CB-CE2 3.91Å; L255-Y263 HydrophobicContact CD1-CE2 3.98Å; L255-D266 HydrophobicContact CD2-CB 3.67Å; L255-L270 HydrophobicContact CD2-CD2 4.42Å | ||
| 256 | R | 95.6 | Very high | 91.5 | Very high | 120 Ų | 120 | 62 Ų | 62 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | trans | -78.1 | -170.9 | 176.2 | -69.9 | 170.2 | -72.9 | 177.2 | -2.8 | 111.3 | E262 Y263 D266 | R256-E262 HydrophobicContact CB-CB 4.21Å; R256-E262 VanDerWaalsContact CZ-O 3.28Å; R256-E262 PolarHBondContact NE-O 2.72Å; R256-E262 PolarHBondContact NH2-O 2.87Å; R256-Y263 WeakPolarHBondContact O-CD2 3.41Å; R256-D266 VanDerWaalsContact CB-OD2 3.31Å; R256-D266 WeakPolarHBondContact CB-OD2 2.99Å; R256-D266 WeakPolarHBondContact CG-OD2 3.17Å; R256-D266 IonicContact CZ-OD1 3.99Å; R256-D266 VanDerWaalsContact CZ-OD1 3.22Å; R256-D266 IonicContact CZ-OD2 3.98Å; R256-D266 PolarHBondContact N-OD2 2.93Å; R256-D266 VanDerWaalsContact NE-CG 3.33Å; R256-D266 IonicContact NE-OD1 2.64Å; R256-D266 PolarHBondContact NE-OD1 3.47Å; R256-D266 VanDerWaalsContact NE-OD1 3.12Å; R256-D266 IonicContact NE-OD2 2.85Å; R256-D266 PolarHBondContact NE-OD2 3.18Å; R256-D266 IonicContact NH2-OD1 3.09Å; R256-D266 PolarHBondContact NH2-OD1 3.36Å; R256-D266 IonicContact NH2-OD2 3.98Å | ||
| 257 | E | 94.9 | Very high | 91.6 | Very high | 141 Ų | 141 | 58.6 Ų | 58.6 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | trans | -68.1 | 132.1 | -174.9 | -171.9 | -176.6 | 178.5 | 0 | 0 | 112.4 | T260 Y263 | E257-T260 HydrophobicContact CB-CG2 4.06Å; E257-T260 HydrophobicContact CG-CG2 4.44Å; E257-T260 WeakPolarHBondContact O-CB 3.42Å; E257-T260 VanDerWaalsContact O-CG2 3.26Å; E257-T260 WeakPolarHBondContact O-CG2 3.38Å; E257-T260 PolarHBondContact O-OG1 3.46Å; E257-Y263 WeakPolarHBondContact O-CB 3.33Å | ||
| 258 | C | 95.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 145.3 | 175.5 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | K237 M240 Y263 L296 | K237-C258 HydrophobicContact CG-CB 4.3Å; M240-C258 HydrophobicContact CE-CB 3.78Å; M240-C258 WeakPolarHBondContact CE-SG 3.38Å; M240-C258 HydrophobicContact SD-CB 3.97Å; C258-Y263 VanDerWaalsContact SG-CE2 3.57Å; C258-L296 HydrophobicContact CB-CD1 4Å |
| 259 | G | 92.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 23.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N293 L297 | G259-N293 VanDerWaalsContact CA-OD1 3.28Å; G259-N293 WeakPolarHBondContact CA-OD1 3.44Å; G259-N293 PolarHBondContact N-OD1 3.15Å; G259-L297 VanDerWaalsContact O-CD2 3.29Å; G259-L297 WeakPolarHBondContact O-CD2 3.49Å |
| 260 | T | 90.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -126.4 | 161.1 | -179 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | E257 E262 Y263 E264 N293 | E257-T260 HydrophobicContact CB-CG2 4.06Å; E257-T260 HydrophobicContact CG-CG2 4.44Å; E257-T260 WeakPolarHBondContact O-CB 3.42Å; E257-T260 VanDerWaalsContact O-CG2 3.26Å; E257-T260 WeakPolarHBondContact O-CG2 3.38Å; E257-T260 PolarHBondContact O-OG1 3.46Å; T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 WeakPolarHBondContact CB-OE2 3.49Å; T260-Y263 WeakPolarHBondContact OG1-CB 3.33Å; T260-Y263 PolarHBondContact OG1-N 2.88Å; T260-E264 PolarHBondContact O-N 3.42Å; T260-N293 PolarHBondContact N-OD1 3.28Å; T260-N293 PolarHBondContact O-ND2 2.95Å; T260-N293 PolarHBondContact O-OD1 2.97Å |
| 261 | Q | 88.2 | Confident | 93.3 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.1 | -31.6 | 175 | -64.8 | -177.5 | 11 | 0 | 0 | 110.7 | E264 A265 R379 | Q261-E264 WeakPolarHBondContact O-CB 3.4Å; Q261-E264 PolarHBondContact O-N 3.06Å; Q261-A265 PolarHBondContact O-N 3.18Å; Q261-R379 VanDerWaalsContact NE2-CZ 3.32Å |
| 262 | E | 92.4 | Very high | 93.7 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.3 | -68.2 | 83.6 | 176.6 | 0 | 0 | 110.6 | R256 T260 A265 D266 R490 | R256-E262 HydrophobicContact CB-CB 4.21Å; R256-E262 VanDerWaalsContact CZ-O 3.28Å; R256-E262 PolarHBondContact NE-O 2.72Å; R256-E262 PolarHBondContact NH2-O 2.87Å; T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 WeakPolarHBondContact CB-OE2 3.49Å; E262-A265 WeakPolarHBondContact O-CB 3.41Å; E262-A265 PolarHBondContact O-N 3.23Å; E262-D266 VanDerWaalsContact O-CG 3.28Å; E262-D266 PolarHBondContact O-N 3.22Å; E262-R490 IonicContact OE1-NH1 3.46Å; E262-R490 IonicContact OE2-NH1 3.55Å; E262-R490 PolarHBondContact OE2-NH1 3Å |
| 263 | Y | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 173.5 | -176.4 | -87.7 | 0 | 0 | 0 | 112.8 | M240 H244 L255 R256 E257 C258 T260 A265 D266 V267 L289 N293 | M240-Y263 HydrophobicContact CE-CD1 4.12Å; M240-Y263 HydrophobicContact CE-CE1 3.25Å; M240-Y263 HydrophobicContact CE-CE2 4.45Å; M240-Y263 VanDerWaalsContact CE-CZ 3.44Å; M240-Y263 VanDerWaalsContact CE-OH 3.28Å; M240-Y263 WeakPolarHBondContact CE-OH 3.36Å; H244-Y263 PolarHBondContact CE1-OH 2.92Å; H244-Y263 VanDerWaalsContact CE1-OH 3.23Å; H244-Y263 AromaticContact NE2-CZ 3.9Å; H244-Y263 PolarHBondContact NE2-OH 2.87Å; L255-Y263 HydrophobicContact CB-CD2 4.15Å; L255-Y263 HydrophobicContact CB-CE2 3.91Å; L255-Y263 HydrophobicContact CD1-CE2 3.98Å; R256-Y263 WeakPolarHBondContact O-CD2 3.41Å; E257-Y263 WeakPolarHBondContact O-CB 3.33Å; C258-Y263 VanDerWaalsContact SG-CE2 3.57Å; T260-Y263 WeakPolarHBondContact OG1-CB 3.33Å; T260-Y263 PolarHBondContact OG1-N 2.88Å; Y263-A265 PolarHBondContact O-N 2.84Å; Y263-D266 WeakPolarHBondContact O-CB 2.95Å; Y263-D266 PolarHBondContact O-N 2.86Å; Y263-V267 HydrophobicContact CD1-CG1 3.91Å; Y263-V267 HydrophobicContact CD1-CG2 4.47Å; Y263-V267 HydrophobicContact CE1-CG1 3.37Å; Y263-V267 HydrophobicContact CE1-CG2 4.4Å; Y263-V267 HydrophobicContact CE2-CG1 4.26Å; Y263-V267 WeakPolarHBondContact O-CG2 3.44Å; Y263-V267 PolarHBondContact O-N 3.02Å; Y263-L289 HydrophobicContact CE1-CB 4.39Å; Y263-L289 WeakPolarHBondContact OH-CD2 3.48Å; Y263-N293 HydrophobicContact CD1-CB 3.81Å; Y263-N293 VanDerWaalsContact CD1-OD1 3.27Å; Y263-N293 WeakPolarHBondContact CD1-OD1 3.48Å; Y263-N293 HydrophobicContact CE1-CB 4.05Å |
| 264 | E | 95.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.8 | -45.4 | 173.3 | -166.3 | -166.2 | 154.6 | 0 | 0 | 110.7 | T260 Q261 V267 V268 R290 | T260-E264 PolarHBondContact O-N 3.42Å; Q261-E264 WeakPolarHBondContact O-CB 3.4Å; Q261-E264 PolarHBondContact O-N 3.06Å; E264-V267 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 WeakPolarHBondContact O-CB 3.46Å; E264-V268 VanDerWaalsContact O-CG2 3.24Å; E264-V268 WeakPolarHBondContact O-CG2 3.23Å; E264-V268 PolarHBondContact O-N 3.28Å; E264-R290 HydrophobicContact CG-CG 4.23Å; E264-R290 IonicContact OE1-CZ 3.4Å; E264-R290 IonicContact OE1-NE 3.53Å; E264-R290 IonicContact OE1-NH2 2.72Å; E264-R290 PolarHBondContact OE1-NH2 3.48Å; E264-R290 VanDerWaalsContact OE1-NH2 3.16Å |
| 265 | A | 94.7 | Very high | 94.3 | Very high | 43 Ų | 43 | 42.5 Ų | 42.5 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q261 E262 Y263 V268 I269 | Q261-A265 PolarHBondContact O-N 3.18Å; E262-A265 WeakPolarHBondContact O-CB 3.41Å; E262-A265 PolarHBondContact O-N 3.23Å; Y263-A265 PolarHBondContact O-N 2.84Å; A265-V268 PolarHBondContact O-N 3.26Å; A265-I269 VanDerWaalsContact O-CG1 3.31Å; A265-I269 WeakPolarHBondContact O-CG1 3.31Å; A265-I269 PolarHBondContact O-N 3.28Å |
| 266 | D | 96.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 178.9 | -65.1 | -25.5 | 0 | 0 | 0 | 111.6 | L255 R256 E262 Y263 V268 I269 L270 | L255-D266 HydrophobicContact CD2-CB 3.67Å; R256-D266 VanDerWaalsContact CB-OD2 3.31Å; R256-D266 WeakPolarHBondContact CB-OD2 2.99Å; R256-D266 WeakPolarHBondContact CG-OD2 3.17Å; R256-D266 IonicContact CZ-OD1 3.99Å; R256-D266 VanDerWaalsContact CZ-OD1 3.22Å; R256-D266 IonicContact CZ-OD2 3.98Å; R256-D266 PolarHBondContact N-OD2 2.93Å; R256-D266 VanDerWaalsContact NE-CG 3.33Å; R256-D266 IonicContact NE-OD1 2.64Å; R256-D266 PolarHBondContact NE-OD1 3.47Å; R256-D266 VanDerWaalsContact NE-OD1 3.12Å; R256-D266 IonicContact NE-OD2 2.85Å; R256-D266 PolarHBondContact NE-OD2 3.18Å; R256-D266 IonicContact NH2-OD1 3.09Å; R256-D266 PolarHBondContact NH2-OD1 3.36Å; R256-D266 IonicContact NH2-OD2 3.98Å; E262-D266 VanDerWaalsContact O-CG 3.28Å; E262-D266 PolarHBondContact O-N 3.22Å; Y263-D266 WeakPolarHBondContact O-CB 2.95Å; Y263-D266 PolarHBondContact O-N 2.86Å; D266-V268 VanDerWaalsContact C-N 3.34Å; D266-V268 PolarHBondContact O-N 2.82Å; D266-I269 PolarHBondContact O-N 2.76Å; D266-L270 WeakPolarHBondContact O-CB 3.49Å; D266-L270 PolarHBondContact O-N 3.48Å |
| 267 | V | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.5 | -28.3 | -179.6 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | Y263 E264 L270 E271 L289 R290 | Y263-V267 HydrophobicContact CD1-CG1 3.91Å; Y263-V267 HydrophobicContact CD1-CG2 4.47Å; Y263-V267 HydrophobicContact CE1-CG1 3.37Å; Y263-V267 HydrophobicContact CE1-CG2 4.4Å; Y263-V267 HydrophobicContact CE2-CG1 4.26Å; Y263-V267 WeakPolarHBondContact O-CG2 3.44Å; Y263-V267 PolarHBondContact O-N 3.02Å; E264-V267 WeakPolarHBondContact O-CG2 3.4Å; V267-L270 PolarHBondContact O-N 3.33Å; V267-E271 WeakPolarHBondContact O-CB 3.32Å; V267-E271 PolarHBondContact O-N 2.96Å; V267-L289 HydrophobicContact CG1-CB 4Å; V267-L289 HydrophobicContact CG1-CD1 4.35Å; V267-R290 HydrophobicContact CG2-CB 3.72Å; V267-R290 HydrophobicContact CG2-CG 4.2Å |
| 268 | V | 95.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 170.9 | 168 | 0 | 0 | 0 | 0 | 111.4 | E264 A265 D266 Q272 | E264-V268 WeakPolarHBondContact O-CB 3.46Å; E264-V268 VanDerWaalsContact O-CG2 3.24Å; E264-V268 WeakPolarHBondContact O-CG2 3.23Å; E264-V268 PolarHBondContact O-N 3.28Å; A265-V268 PolarHBondContact O-N 3.26Å; D266-V268 VanDerWaalsContact C-N 3.34Å; D266-V268 PolarHBondContact O-N 2.82Å; V268-Q272 VanDerWaalsContact O-CG 3.31Å; V268-Q272 WeakPolarHBondContact O-CG 3.25Å; V268-Q272 PolarHBondContact O-N 3.3Å |
| 269 | I | 94.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 54% | 0.538 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.1 | -40.5 | 174.6 | -67.6 | 164.6 | 0 | 0 | 0 | 110 | A265 D266 E271 Q272 R273 | A265-I269 VanDerWaalsContact O-CG1 3.31Å; A265-I269 WeakPolarHBondContact O-CG1 3.31Å; A265-I269 PolarHBondContact O-N 3.28Å; D266-I269 PolarHBondContact O-N 2.76Å; I269-E271 VanDerWaalsContact C-N 3.35Å; I269-E271 PolarHBondContact O-N 3.09Å; I269-Q272 PolarHBondContact O-N 3.02Å; I269-R273 PolarHBondContact O-N 2.86Å |
| 270 | L | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 178 | -166.8 | 63.9 | 0 | 0 | 0 | 112 | M247 L249 V253 L255 D266 V267 R273 G274 L282 A286 | M247-L270 HydrophobicContact CE-CD2 4.23Å; M247-L270 HydrophobicContact SD-CD2 3.99Å; L249-L270 HydrophobicContact CD2-CD2 4.35Å; V253-L270 HydrophobicContact CG1-CD1 4.19Å; V253-L270 HydrophobicContact CG2-CD1 4.13Å; L255-L270 HydrophobicContact CD2-CD2 4.42Å; D266-L270 WeakPolarHBondContact O-CB 3.49Å; D266-L270 PolarHBondContact O-N 3.48Å; V267-L270 PolarHBondContact O-N 3.33Å; L270-R273 WeakPolarHBondContact O-CB 3.39Å; L270-R273 PolarHBondContact O-N 2.87Å; L270-G274 PolarHBondContact O-N 3.1Å; L270-L282 HydrophobicContact CD1-CD1 3.85Å; L270-L282 HydrophobicContact CD1-CD2 4.06Å; L270-L282 HydrophobicContact CD1-CG 4.21Å; L270-L282 HydrophobicContact CD2-CD1 3.97Å; L270-L282 HydrophobicContact CG-CD1 3.79Å; L270-L282 HydrophobicContact CG-CD2 4.47Å; L270-L282 HydrophobicContact CG-CG 4.11Å; L270-A286 HydrophobicContact CB-CB 4.06Å; L270-A286 HydrophobicContact CD2-CB 4.18Å; L270-A286 HydrophobicContact CG-CB 4.15Å |
| 271 | E | 95.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 44 Ų | 44 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 174 | -179.6 | -86.5 | 167.6 | 0 | 0 | 111.1 | V267 I269 R273 G274 V275 A283 A286 R559 | V267-E271 WeakPolarHBondContact O-CB 3.32Å; V267-E271 PolarHBondContact O-N 2.96Å; I269-E271 VanDerWaalsContact C-N 3.35Å; I269-E271 PolarHBondContact O-N 3.09Å; E271-R273 VanDerWaalsContact C-N 3.29Å; E271-R273 PolarHBondContact O-N 3.35Å; E271-G274 PolarHBondContact O-N 3.24Å; E271-G274 VanDerWaalsContact O-N 3.16Å; E271-V275 WeakPolarHBondContact O-CG2 3.41Å; E271-V275 PolarHBondContact O-N 3.17Å; E271-V275 WeakPolarHBondContact OE1-CG2 3.42Å; E271-A283 HydrophobicContact CG-CB 4.44Å; E271-A286 HydrophobicContact CB-CB 3.77Å; E271-R559 VanDerWaalsContact CD-NH2 3.28Å; E271-R559 IonicContact OE1-CZ 3.64Å; E271-R559 VanDerWaalsContact OE1-CZ 3.32Å; E271-R559 IonicContact OE1-NE 3.99Å; E271-R559 PolarHBondContact OE1-NE 2.96Å; E271-R559 IonicContact OE1-NH2 2.73Å; E271-R559 PolarHBondContact OE1-NH2 3Å; E271-R559 IonicContact OE2-CZ 2.79Å; E271-R559 IonicContact OE2-NE 2.79Å; E271-R559 IonicContact OE2-NH2 3.86Å; E271-R559 PolarHBondContact OE2-NH2 3.31Å |
| 272 | Q | 94.3 | Very high | 94.8 | Very high | 58 Ų | 58 | 41 Ų | 41 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 176.8 | -71.2 | 169.1 | 20.7 | 0 | 0 | 112 | V268 I269 V275 S276 | V268-Q272 VanDerWaalsContact O-CG 3.31Å; V268-Q272 WeakPolarHBondContact O-CG 3.25Å; V268-Q272 PolarHBondContact O-N 3.3Å; I269-Q272 PolarHBondContact O-N 3.02Å; Q272-V275 PolarHBondContact O-N 2.84Å; Q272-S276 PolarHBondContact O-N 3.25Å; Q272-S276 PolarHBondContact O-OG 2.85Å |
| 273 | R | 94.2 | Very high | 94.9 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 173.6 | 178.6 | 175 | 175.2 | 166.5 | -2.7 | 110.9 | D252 V253 I269 L270 E271 V275 S276 Q277 L282 | D252-R273 IonicContact OD1-CZ 2.66Å; D252-R273 IonicContact OD1-NH1 3.23Å; D252-R273 PolarHBondContact OD1-NH1 3.36Å; D252-R273 IonicContact OD1-NH2 3.49Å; D252-R273 PolarHBondContact OD1-NH2 2.93Å; D252-R273 IonicContact OD2-CZ 2.82Å; D252-R273 IonicContact OD2-NH1 3.78Å; D252-R273 PolarHBondContact OD2-NH1 3.1Å; D252-R273 IonicContact OD2-NH2 3.15Å; D252-R273 PolarHBondContact OD2-NH2 3.34Å; V253-R273 VanDerWaalsContact CG2-NH1 3.27Å; I269-R273 PolarHBondContact O-N 2.86Å; L270-R273 WeakPolarHBondContact O-CB 3.39Å; L270-R273 PolarHBondContact O-N 2.87Å; E271-R273 VanDerWaalsContact C-N 3.29Å; E271-R273 PolarHBondContact O-N 3.35Å; R273-V275 VanDerWaalsContact C-N 3.27Å; R273-V275 PolarHBondContact O-N 2.71Å; R273-S276 WeakPolarHBondContact CA-OG 3.46Å; R273-S276 PolarHBondContact O-N 2.94Å; R273-S276 VanDerWaalsContact O-N 3.11Å; R273-S276 PolarHBondContact O-OG 2.56Å; R273-Q277 HydrophobicContact CG-CG 4.28Å; R273-Q277 WeakPolarHBondContact O-CB 3.39Å; R273-Q277 WeakPolarHBondContact O-CG 3.22Å; R273-Q277 PolarHBondContact O-N 3.13Å; R273-L282 HydrophobicContact CG-CD2 4.45Å |
| 274 | G | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.3 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L270 E271 Q277 D278 N279 | L270-G274 PolarHBondContact O-N 3.1Å; E271-G274 PolarHBondContact O-N 3.24Å; E271-G274 VanDerWaalsContact O-N 3.16Å; G274-Q277 PolarHBondContact O-N 3.17Å; G274-D278 PolarHBondContact O-N 2.9Å; G274-N279 CarbonylContact C-O 3.54Å; G274-N279 CarbonylContact O-C 3.55Å; G274-N279 PolarHBondContact O-N 3.09Å |
| 275 | V | 94.2 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -50.8 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | E271 Q272 R273 Q277 D278 A283 R559 F562 A643 R650 T652 | E271-V275 WeakPolarHBondContact O-CG2 3.41Å; E271-V275 PolarHBondContact O-N 3.17Å; E271-V275 WeakPolarHBondContact OE1-CG2 3.42Å; Q272-V275 PolarHBondContact O-N 2.84Å; R273-V275 VanDerWaalsContact C-N 3.27Å; R273-V275 PolarHBondContact O-N 2.71Å; V275-Q277 PolarHBondContact O-N 2.97Å; V275-D278 PolarHBondContact O-N 3.44Å; V275-A283 HydrophobicContact CG2-CB 4.13Å; V275-R559 HydrophobicContact CG2-CG 4.12Å; V275-F562 HydrophobicContact CB-CE1 4.27Å; V275-F562 HydrophobicContact CB-CZ 4.37Å; V275-F562 HydrophobicContact CG1-CE1 3.99Å; V275-F562 HydrophobicContact CG2-CE1 4.01Å; V275-F562 HydrophobicContact CG2-CZ 4.17Å; V275-A643 HydrophobicContact CG1-CB 3.47Å; V275-A643 VanDerWaalsContact CG1-CB 3.47Å; V275-R650 WeakPolarHBondContact O-CD 3.28Å; V275-T652 HydrophobicContact CB-CG2 3.89Å; V275-T652 HydrophobicContact CG1-CG2 3.39Å; V275-T652 HydrophobicContact CG2-CG2 4.43Å |
| 276 | S | 93.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 34 Ų | 34 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.7 | -27.1 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 114.7 | Q272 R273 R650 | Q272-S276 PolarHBondContact O-N 3.25Å; Q272-S276 PolarHBondContact O-OG 2.85Å; R273-S276 WeakPolarHBondContact CA-OG 3.46Å; R273-S276 PolarHBondContact O-N 2.94Å; R273-S276 VanDerWaalsContact O-N 3.11Å; R273-S276 PolarHBondContact O-OG 2.56Å; S276-R650 WeakPolarHBondContact CA-O 3.45Å; S276-R650 VanDerWaalsContact CB-O 3.26Å; S276-R650 WeakPolarHBondContact CB-O 3.34Å |
| 277 | Q | 93.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 35.1 Ų | 35.1 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 9 | -177.9 | -66.8 | -176.2 | -27.8 | 0 | 0 | 112.9 | R273 G274 V275 N279 | R273-Q277 HydrophobicContact CG-CG 4.28Å; R273-Q277 WeakPolarHBondContact O-CB 3.39Å; R273-Q277 WeakPolarHBondContact O-CG 3.22Å; R273-Q277 PolarHBondContact O-N 3.13Å; G274-Q277 PolarHBondContact O-N 3.17Å; V275-Q277 PolarHBondContact O-N 2.97Å; Q277-N279 HydrophobicContact CB-CB 4.36Å; Q277-N279 PolarHBondContact O-N 2.94Å; Q277-N279 VanDerWaalsContact O-N 3.15Å |
| 278 | D | 93.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 29.5 | -172.8 | -153.5 | 8.7 | 0 | 0 | 0 | 113.6 | G274 V275 F562 R650 | G274-D278 PolarHBondContact O-N 2.9Å; V275-D278 PolarHBondContact O-N 3.44Å; D278-F562 WeakPolarHBondContact OD1-CD2 3.39Å; D278-R650 IonicContact OD1-CZ 3.67Å; D278-R650 IonicContact OD1-NH1 2.61Å; D278-R650 PolarHBondContact OD1-NH1 2.87Å; D278-R650 IonicContact OD1-NH2 2.94Å; D278-R650 PolarHBondContact OD1-NH2 3.49Å; D278-R650 IonicContact OD2-CZ 3.23Å; D278-R650 IonicContact OD2-NH1 2.68Å; D278-R650 IonicContact OD2-NH2 3.32Å; D278-R650 PolarHBondContact OD2-NH2 3.26Å |
| 279 | N | 94.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | trans | -102.5 | 87 | -178.2 | -173.2 | -20.7 | 0 | 0 | 0 | 109.6 | G274 Q277 L281 L282 A283 | G274-N279 CarbonylContact C-O 3.54Å; G274-N279 CarbonylContact O-C 3.55Å; G274-N279 PolarHBondContact O-N 3.09Å; Q277-N279 HydrophobicContact CB-CB 4.36Å; Q277-N279 PolarHBondContact O-N 2.94Å; Q277-N279 VanDerWaalsContact O-N 3.15Å; N279-L281 VanDerWaalsContact C-N 3.29Å; N279-L281 PolarHBondContact O-N 3.29Å; N279-L281 PolarHBondContact OD1-N 3.27Å; N279-L282 HydrophobicContact CB-CB 4.14Å; N279-L282 PolarHBondContact O-N 3.37Å; N279-L282 WeakPolarHBondContact OD1-CB 3.31Å; N279-L282 PolarHBondContact OD1-N 3.49Å; N279-A283 PolarHBondContact O-N 3.19Å; N279-A283 VanDerWaalsContact O-N 3.11Å | ||
| 280 | R | 94.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | -178.3 | -174.3 | -179.9 | -179.8 | -78.6 | -5.4 | 111.5 | L282 A283 Q284 D324 D327 N560 F562 | R280-L282 VanDerWaalsContact C-N 3.35Å; R280-L282 PolarHBondContact O-N 2.78Å; R280-A283 PolarHBondContact O-N 3.44Å; R280-Q284 HydrophobicContact CG-CG 4Å; R280-Q284 WeakPolarHBondContact O-CG 3.38Å; R280-Q284 PolarHBondContact O-N 3.09Å; R280-D324 WeakPolarHBondContact CD-OD2 3.25Å; R280-D324 IonicContact CZ-OD2 3.64Å; R280-D324 IonicContact NE-OD2 2.96Å; R280-D324 IonicContact NH1-OD1 3.22Å; R280-D324 PolarHBondContact NH1-OD1 3.09Å; R280-D324 IonicContact NH1-OD2 2.63Å; R280-D324 PolarHBondContact NH1-OD2 3.23Å; R280-D327 IonicContact CZ-OD1 3.81Å; R280-D327 IonicContact CZ-OD2 3.61Å; R280-D327 IonicContact NH1-OD1 3.64Å; R280-D327 PolarHBondContact NH1-OD1 3.4Å; R280-D327 IonicContact NH1-OD2 3.18Å; R280-D327 PolarHBondContact NH1-OD2 3.09Å; R280-D327 VanDerWaalsContact NH2-CG 3.28Å; R280-D327 IonicContact NH2-OD1 2.97Å; R280-D327 PolarHBondContact NH2-OD1 3Å; R280-D327 IonicContact NH2-OD2 2.77Å; R280-D327 PolarHBondContact NH2-OD2 3.49Å; R280-N560 PolarHBondContact NE-O 2.97Å; R280-F562 HydrophobicContact CB-CD2 4.18Å; R280-F562 HydrophobicContact CB-CE2 3.73Å; R280-F562 HydrophobicContact CB-CZ 4.47Å; R280-F562 HydrophobicContact CG-CE2 4.44Å |
| 281 | L | 95.8 | Very high | 95.4 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 29% | 0.288 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.1 | -51.2 | 179.2 | -173.1 | 159.4 | 0 | 0 | 0 | 110.5 | F246 M247 N279 A283 Q284 C285 T326 | F246-L281 HydrophobicContact CD1-CD2 4.37Å; F246-L281 HydrophobicContact CE1-CD1 3.95Å; F246-L281 HydrophobicContact CE1-CD2 4.19Å; F246-L281 HydrophobicContact CE1-CG 3.95Å; F246-L281 HydrophobicContact CZ-CD1 4.27Å; M247-L281 HydrophobicContact CB-CD2 4.01Å; N279-L281 VanDerWaalsContact C-N 3.29Å; N279-L281 PolarHBondContact O-N 3.29Å; N279-L281 PolarHBondContact OD1-N 3.27Å; L281-A283 PolarHBondContact O-N 2.94Å; L281-Q284 PolarHBondContact O-N 2.79Å; L281-C285 WeakPolarHBondContact O-CB 3.01Å; L281-C285 PolarHBondContact O-N 3.41Å; L281-C285 PolarHBondContact O-SG 3.14Å; L281-T326 HydrophobicContact CG-CG2 4.23Å |
| 282 | L | 95.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 178.1 | -173.2 | 63.4 | 0 | 0 | 0 | 111.8 | M247 P250 L270 R273 N279 R280 A286 | M247-L282 HydrophobicContact CE-CD1 4.47Å; M247-L282 HydrophobicContact SD-CD1 4.13Å; P250-L282 HydrophobicContact CG-CD2 4.42Å; L270-L282 HydrophobicContact CD1-CD1 3.85Å; L270-L282 HydrophobicContact CD1-CD2 4.06Å; L270-L282 HydrophobicContact CD1-CG 4.21Å; L270-L282 HydrophobicContact CD2-CD1 3.97Å; L270-L282 HydrophobicContact CG-CD1 3.79Å; L270-L282 HydrophobicContact CG-CD2 4.47Å; L270-L282 HydrophobicContact CG-CG 4.11Å; R273-L282 HydrophobicContact CG-CD2 4.45Å; N279-L282 HydrophobicContact CB-CB 4.14Å; N279-L282 PolarHBondContact O-N 3.37Å; N279-L282 WeakPolarHBondContact OD1-CB 3.31Å; N279-L282 PolarHBondContact OD1-N 3.49Å; R280-L282 VanDerWaalsContact C-N 3.35Å; R280-L282 PolarHBondContact O-N 2.78Å; L282-A286 WeakPolarHBondContact O-CB 3.36Å; L282-A286 PolarHBondContact O-N 3.01Å |
| 283 | A | 95.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E271 V275 N279 R280 L281 L287 F562 | E271-A283 HydrophobicContact CG-CB 4.44Å; V275-A283 HydrophobicContact CG2-CB 4.13Å; N279-A283 PolarHBondContact O-N 3.19Å; N279-A283 VanDerWaalsContact O-N 3.11Å; R280-A283 PolarHBondContact O-N 3.44Å; L281-A283 PolarHBondContact O-N 2.94Å; A283-L287 WeakPolarHBondContact O-CB 3.27Å; A283-L287 PolarHBondContact O-N 2.93Å; A283-F562 HydrophobicContact CB-CZ 4.32Å |
| 284 | Q | 95.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.1 | -44.9 | 179.9 | -66.4 | -55.6 | -36.3 | 0 | 0 | 111.8 | R280 L281 A286 L287 H288 T326 L330 N560 | R280-Q284 HydrophobicContact CG-CG 4Å; R280-Q284 WeakPolarHBondContact O-CG 3.38Å; R280-Q284 PolarHBondContact O-N 3.09Å; L281-Q284 PolarHBondContact O-N 2.79Å; Q284-A286 VanDerWaalsContact C-N 3.31Å; Q284-A286 PolarHBondContact O-N 2.92Å; Q284-L287 WeakPolarHBondContact O-CB 3.21Å; Q284-L287 PolarHBondContact O-N 2.96Å; Q284-L287 VanDerWaalsContact O-N 3.16Å; Q284-H288 PolarHBondContact O-CD2 2.96Å; Q284-H288 PolarHBondContact O-N 3.19Å; Q284-T326 HydrophobicContact CB-CG2 3.99Å; Q284-L330 HydrophobicContact CB-CD1 4.16Å; Q284-N560 PolarHBondContact NE2-O 3.43Å; Q284-N560 PolarHBondContact NE2-OD1 3.28Å |
| 285 | C | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | I243 M247 L281 L287 H288 L289 | I243-C285 HydrophobicContact CG2-CB 3.76Å; M247-C285 HydrophobicContact CB-CB 4.13Å; M247-C285 HydrophobicContact CE-CB 3.22Å; L281-C285 WeakPolarHBondContact O-CB 3.01Å; L281-C285 PolarHBondContact O-N 3.41Å; L281-C285 PolarHBondContact O-SG 3.14Å; C285-L287 PolarHBondContact O-N 3.49Å; C285-H288 PolarHBondContact O-N 2.81Å; C285-L289 WeakPolarHBondContact O-CB 3.49Å; C285-L289 VanDerWaalsContact O-CG 3.25Å; C285-L289 WeakPolarHBondContact O-CG 3.18Å; C285-L289 PolarHBondContact O-N 3.39Å |
| 286 | A | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L270 E271 L282 Q284 R290 | L270-A286 HydrophobicContact CB-CB 4.06Å; L270-A286 HydrophobicContact CD2-CB 4.18Å; L270-A286 HydrophobicContact CG-CB 4.15Å; E271-A286 HydrophobicContact CB-CB 3.77Å; L282-A286 WeakPolarHBondContact O-CB 3.36Å; L282-A286 PolarHBondContact O-N 3.01Å; Q284-A286 VanDerWaalsContact C-N 3.31Å; Q284-A286 PolarHBondContact O-N 2.92Å; A286-R290 PolarHBondContact O-N 3.34Å |
| 287 | L | 95.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 25% | 0.251 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61 | -44 | 173.7 | 179.1 | 68 | 0 | 0 | 0 | 112 | A283 Q284 C285 R290 Q291 | A283-L287 WeakPolarHBondContact O-CB 3.27Å; A283-L287 PolarHBondContact O-N 2.93Å; Q284-L287 WeakPolarHBondContact O-CB 3.21Å; Q284-L287 PolarHBondContact O-N 2.96Å; Q284-L287 VanDerWaalsContact O-N 3.16Å; C285-L287 PolarHBondContact O-N 3.49Å; L287-R290 WeakPolarHBondContact O-CB 3.44Å; L287-R290 PolarHBondContact O-N 3.35Å; L287-Q291 PolarHBondContact O-N 3.31Å |
| 288 | H | 96.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.6 | -40.2 | 179.5 | -77.4 | -122 | 0 | 0 | 0 | 111.9 | Q284 C285 R290 Q291 Y292 F314 Y315 L330 | Q284-H288 PolarHBondContact O-CD2 2.96Å; Q284-H288 PolarHBondContact O-N 3.19Å; C285-H288 PolarHBondContact O-N 2.81Å; H288-R290 PolarHBondContact O-N 3.38Å; H288-Q291 WeakPolarHBondContact O-CB 3.29Å; H288-Q291 PolarHBondContact O-N 3.29Å; H288-Y292 VanDerWaalsContact O-CD2 3.22Å; H288-Y292 WeakPolarHBondContact O-CD2 3.26Å; H288-Y292 PolarHBondContact O-N 3.4Å; H288-F314 AromaticContact CE1-CE1 3.67Å; H288-F314 AromaticContact ND1-CE1 3.73Å; H288-F314 AromaticContact NE2-CE1 3.94Å; H288-F314 AromaticContact NE2-CZ 3.92Å; H288-Y315 AromaticContact CE1-CE1 3.62Å; H288-Y315 AromaticContact ND1-CE1 3.49Å; H288-Y315 WeakPolarHBondContact ND1-CE1 3.27Å; H288-Y315 AromaticContact ND1-CZ 3.49Å; H288-Y315 PolarHBondContact ND1-OH 2.95Å; H288-L330 HydrophobicContact CB-CD1 4.3Å; H288-L330 HydrophobicContact CB-CD2 4.09Å |
| 289 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58 | -37.3 | 172.8 | -74.9 | 171.9 | 0 | 0 | 0 | 112.1 | M240 I243 H244 M247 Y263 V267 C285 Q291 Y292 N293 | M240-L289 HydrophobicContact CB-CD2 3.8Å; M240-L289 HydrophobicContact CE-CD2 4.23Å; M240-L289 HydrophobicContact CG-CD2 3.98Å; I243-L289 HydrophobicContact CB-CD2 3.89Å; I243-L289 HydrophobicContact CB-CG 4.35Å; I243-L289 HydrophobicContact CD1-CD2 4.2Å; I243-L289 HydrophobicContact CG2-CD1 4.16Å; I243-L289 HydrophobicContact CG2-CD2 3.9Å; I243-L289 HydrophobicContact CG2-CG 3.78Å; H244-L289 WeakPolarHBondContact NE2-CD1 3.38Å; M247-L289 HydrophobicContact CE-CD1 3.47Å; M247-L289 VanDerWaalsContact CE-CD1 3.47Å; M247-L289 HydrophobicContact SD-CD1 4.43Å; Y263-L289 HydrophobicContact CE1-CB 4.39Å; Y263-L289 WeakPolarHBondContact OH-CD2 3.48Å; V267-L289 HydrophobicContact CG1-CB 4Å; V267-L289 HydrophobicContact CG1-CD1 4.35Å; C285-L289 WeakPolarHBondContact O-CB 3.49Å; C285-L289 VanDerWaalsContact O-CG 3.25Å; C285-L289 WeakPolarHBondContact O-CG 3.18Å; C285-L289 PolarHBondContact O-N 3.39Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Y292 PolarHBondContact O-N 3.01Å; L289-N293 WeakPolarHBondContact O-CB 3.49Å; L289-N293 PolarHBondContact O-N 3.02Å |
| 290 | R | 97.3 | Very high | 95.2 | Very high | 95 Ų | 95 | 20.9 Ų | 20.9 | 36% | 0.358 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 172.1 | -172.7 | -172.2 | 176 | -179.2 | 4.1 | 111.4 | E264 V267 A286 L287 H288 Y292 N293 D294 | E264-R290 HydrophobicContact CG-CG 4.23Å; E264-R290 IonicContact OE1-CZ 3.4Å; E264-R290 IonicContact OE1-NE 3.53Å; E264-R290 IonicContact OE1-NH2 2.72Å; E264-R290 PolarHBondContact OE1-NH2 3.48Å; E264-R290 VanDerWaalsContact OE1-NH2 3.16Å; V267-R290 HydrophobicContact CG2-CB 3.72Å; V267-R290 HydrophobicContact CG2-CG 4.2Å; A286-R290 PolarHBondContact O-N 3.34Å; L287-R290 WeakPolarHBondContact O-CB 3.44Å; L287-R290 PolarHBondContact O-N 3.35Å; H288-R290 PolarHBondContact O-N 3.38Å; R290-Y292 PolarHBondContact O-N 3.31Å; R290-N293 WeakPolarHBondContact O-CB 3.29Å; R290-N293 PolarHBondContact O-N 3.16Å; R290-D294 PolarHBondContact O-N 2.85Å |
| 291 | Q | 96.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 20.9 Ų | 20.9 | 14% | 0.14 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 179.3 | -172.4 | 67.1 | 16.1 | 0 | 0 | 112.3 | L287 H288 L289 D294 A295 S310 L311 F314 | L287-Q291 PolarHBondContact O-N 3.31Å; H288-Q291 WeakPolarHBondContact O-CB 3.29Å; H288-Q291 PolarHBondContact O-N 3.29Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; Q291-D294 PolarHBondContact O-N 3.42Å; Q291-A295 PolarHBondContact O-N 3.19Å; Q291-S310 PolarHBondContact NE2-O 3.01Å; Q291-S310 PolarHBondContact NE2-OG 3.17Å; Q291-L311 HydrophobicContact CG-CD2 3.84Å; Q291-F314 HydrophobicContact CB-CD1 4.34Å; Q291-F314 HydrophobicContact CB-CE1 4.31Å; Q291-F314 HydrophobicContact CB-CE2 4.48Å; Q291-F314 HydrophobicContact CB-CG 4.43Å; Q291-F314 HydrophobicContact CB-CZ 4.38Å; Q291-F314 HydrophobicContact CG-CB 3.92Å; Q291-F314 HydrophobicContact CG-CD1 3.79Å; Q291-F314 HydrophobicContact CG-CD2 3.96Å; Q291-F314 HydrophobicContact CG-CE1 4.25Å; Q291-F314 HydrophobicContact CG-CE2 4.41Å; Q291-F314 HydrophobicContact CG-CG 3.62Å |
| 292 | Y | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 172.9 | -75.5 | -71.1 | 0 | 0 | 0 | 112.3 | I236 M239 M240 I243 H288 L289 R290 A295 L296 L311 Y315 | I236-Y292 HydrophobicContact CG2-CD1 3.87Å; I236-Y292 HydrophobicContact CG2-CG 4.35Å; M239-Y292 HydrophobicContact CB-CE1 4.45Å; M239-Y292 HydrophobicContact CE-CE1 3.82Å; M239-Y292 WeakPolarHBondContact CE-OH 3.46Å; M239-Y292 HydrophobicContact SD-CE1 3.99Å; M240-Y292 HydrophobicContact CG-CG 4.1Å; I243-Y292 HydrophobicContact CD1-CD2 3.8Å; I243-Y292 HydrophobicContact CD1-CE2 3.51Å; H288-Y292 VanDerWaalsContact O-CD2 3.22Å; H288-Y292 WeakPolarHBondContact O-CD2 3.26Å; H288-Y292 PolarHBondContact O-N 3.4Å; L289-Y292 PolarHBondContact O-N 3.01Å; R290-Y292 PolarHBondContact O-N 3.31Å; Y292-A295 WeakPolarHBondContact O-CB 3.42Å; Y292-A295 PolarHBondContact O-N 2.69Å; Y292-L296 PolarHBondContact O-N 3.46Å; Y292-L311 HydrophobicContact CD1-CD1 3.97Å; Y292-L311 HydrophobicContact CD1-CD2 3.7Å; Y292-L311 HydrophobicContact CE1-CD1 4.06Å; Y292-L311 HydrophobicContact CE1-CD2 3.9Å; Y292-L311 HydrophobicContact CG-CD2 4.22Å; Y292-Y315 HydrophobicContact CE2-CE2 4.4Å; Y292-Y315 WeakPolarHBondContact CE2-OH 3.36Å; Y292-Y315 PolarHBondContact OH-OH 3.02Å; Y292-Y315 VanDerWaalsContact OH-OH 3.11Å |
| 293 | N | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 174.3 | -172.5 | 78.7 | 0 | 0 | 0 | 112 | M240 G259 T260 Y263 L289 R290 A295 L296 L297 | M240-N293 HydrophobicContact CE-CB 4.21Å; G259-N293 VanDerWaalsContact CA-OD1 3.28Å; G259-N293 WeakPolarHBondContact CA-OD1 3.44Å; G259-N293 PolarHBondContact N-OD1 3.15Å; T260-N293 PolarHBondContact N-OD1 3.28Å; T260-N293 PolarHBondContact O-ND2 2.95Å; T260-N293 PolarHBondContact O-OD1 2.97Å; Y263-N293 HydrophobicContact CD1-CB 3.81Å; Y263-N293 VanDerWaalsContact CD1-OD1 3.27Å; Y263-N293 WeakPolarHBondContact CD1-OD1 3.48Å; Y263-N293 HydrophobicContact CE1-CB 4.05Å; L289-N293 WeakPolarHBondContact O-CB 3.49Å; L289-N293 PolarHBondContact O-N 3.02Å; R290-N293 WeakPolarHBondContact O-CB 3.29Å; R290-N293 PolarHBondContact O-N 3.16Å; N293-A295 VanDerWaalsContact C-N 3.29Å; N293-A295 PolarHBondContact O-N 3.44Å; N293-L296 WeakPolarHBondContact O-CB 3.09Å; N293-L296 PolarHBondContact O-N 3.42Å; N293-L297 WeakPolarHBondContact O-CG 3.21Å; N293-L297 PolarHBondContact O-N 3.34Å |
| 294 | D | 93.7 | Very high | 94.6 | Very high | 42 Ų | 42 | 20.2 Ų | 20.2 | 23% | 0.225 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 174.4 | -72.5 | -9.9 | 0 | 0 | 0 | 110.8 | R290 Q291 L297 I298 | R290-D294 PolarHBondContact O-N 2.85Å; Q291-D294 PolarHBondContact O-N 3.42Å; D294-L297 PolarHBondContact O-N 3.07Å; D294-I298 VanDerWaalsContact O-CG1 3.26Å; D294-I298 WeakPolarHBondContact O-CG1 3.35Å; D294-I298 PolarHBondContact O-N 2.95Å |
| 295 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I236 Q291 Y292 N293 I298 N299 A307 L311 | I236-A295 HydrophobicContact CD1-CB 4.03Å; Q291-A295 PolarHBondContact O-N 3.19Å; Y292-A295 WeakPolarHBondContact O-CB 3.42Å; Y292-A295 PolarHBondContact O-N 2.69Å; N293-A295 VanDerWaalsContact C-N 3.29Å; N293-A295 PolarHBondContact O-N 3.44Å; A295-I298 PolarHBondContact O-N 3.33Å; A295-N299 WeakPolarHBondContact O-CB 3.49Å; A295-N299 PolarHBondContact O-N 3.21Å; A295-A307 HydrophobicContact CB-CB 4.28Å; A295-A307 WeakPolarHBondContact O-CB 3.41Å; A295-L311 HydrophobicContact CB-CD1 3.72Å; A295-L311 HydrophobicContact CB-CD2 4.06Å; A295-L311 HydrophobicContact CB-CG 3.74Å |
| 296 | L | 95.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 21.8 Ų | 21.8 | 6% | 0.058 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 172.8 | -72 | 174.5 | 0 | 0 | 0 | 112.3 | I236 K237 M240 C258 Y292 N293 N299 D300 | I236-L296 HydrophobicContact CB-CD2 3.92Å; I236-L296 HydrophobicContact CB-CG 4.37Å; I236-L296 HydrophobicContact CD1-CD2 4.44Å; I236-L296 HydrophobicContact CG2-CD1 4.06Å; I236-L296 HydrophobicContact CG2-CD2 3.81Å; I236-L296 HydrophobicContact CG2-CG 3.68Å; K237-L296 HydrophobicContact CG-CD1 4.02Å; K237-L296 HydrophobicContact CG-CD2 4.47Å; M240-L296 HydrophobicContact SD-CD1 3.67Å; C258-L296 HydrophobicContact CB-CD1 4Å; Y292-L296 PolarHBondContact O-N 3.46Å; N293-L296 WeakPolarHBondContact O-CB 3.09Å; N293-L296 PolarHBondContact O-N 3.42Å; L296-N299 WeakPolarHBondContact O-CB 3.36Å; L296-N299 PolarHBondContact O-N 2.96Å; L296-D300 PolarHBondContact O-N 2.86Å |
| 297 | L | 91.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 21.8 Ų | 21.8 | 16% | 0.162 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 176.4 | -68.1 | 173.5 | 0 | 0 | 0 | 111.9 | G259 N293 D294 T301 | G259-L297 VanDerWaalsContact O-CD2 3.29Å; G259-L297 WeakPolarHBondContact O-CD2 3.49Å; N293-L297 WeakPolarHBondContact O-CG 3.21Å; N293-L297 PolarHBondContact O-N 3.34Å; D294-L297 PolarHBondContact O-N 3.07Å; L297-T301 PolarHBondContact O-N 2.92Å; L297-T301 PolarHBondContact O-OG1 3.1Å |
| 298 | I | 91.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 19.7 Ų | 19.7 | 8% | 0.077 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 172.1 | -66.9 | 163.1 | 0 | 0 | 0 | 109.8 | D294 A295 D300 T301 L302 D306 A307 | D294-I298 VanDerWaalsContact O-CG1 3.26Å; D294-I298 WeakPolarHBondContact O-CG1 3.35Å; D294-I298 PolarHBondContact O-N 2.95Å; A295-I298 PolarHBondContact O-N 3.33Å; I298-D300 PolarHBondContact O-N 3.31Å; I298-T301 PolarHBondContact O-N 2.72Å; I298-L302 HydrophobicContact CG2-CB 4.27Å; I298-L302 HydrophobicContact CG2-CD1 4.23Å; I298-L302 WeakPolarHBondContact O-CA 3.43Å; I298-L302 WeakPolarHBondContact O-CB 3.47Å; I298-L302 PolarHBondContact O-N 3.01Å; I298-D306 HydrophobicContact CG2-CB 3.88Å; I298-A307 HydrophobicContact CB-CB 4.08Å; I298-A307 HydrophobicContact CG2-CB 3.89Å |
| 299 | N | 93.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 178.5 | -177.9 | 40.1 | 0 | 0 | 0 | 111.6 | R227 D230 F232 A295 L296 T301 M304 A307 N352 | R227-N299 PolarHBondContact NH1-ND2 3.42Å; R227-N299 PolarHBondContact NH1-OD1 3.35Å; R227-N299 PolarHBondContact NH2-O 3.36Å; R227-N299 PolarHBondContact NH2-OD1 2.97Å; D230-N299 PolarHBondContact OD1-ND2 3.37Å; D230-N299 PolarHBondContact OD2-ND2 3.48Å; F232-N299 HydrophobicContact CD1-CB 4.22Å; F232-N299 HydrophobicContact CE1-CB 4.17Å; A295-N299 WeakPolarHBondContact O-CB 3.49Å; A295-N299 PolarHBondContact O-N 3.21Å; L296-N299 WeakPolarHBondContact O-CB 3.36Å; L296-N299 PolarHBondContact O-N 2.96Å; N299-T301 PolarHBondContact O-N 3.21Å; N299-M304 WeakPolarHBondContact OD1-CG 3.43Å; N299-A307 HydrophobicContact CB-CB 4.09Å; N299-N352 PolarHBondContact O-ND2 2.87Å; N299-N352 VanDerWaalsContact O-ND2 3.08Å |
| 300 | D | 89.3 | Confident | 94.1 | Very high | 66 Ų | 66 | 23.5 Ų | 23.5 | 35% | 0.353 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -62 | -30.4 | 178.8 | -175.9 | 75.6 | 0 | 0 | 0 | 112.8 | L296 I298 N352 K354 | L296-D300 PolarHBondContact O-N 2.86Å; I298-D300 PolarHBondContact O-N 3.31Å; D300-N352 PolarHBondContact O-ND2 3.48Å; D300-K354 PolarHBondContact O-NZ 3.31Å; D300-K354 IonicContact OD1-NZ 3.96Å; D300-K354 IonicContact OD2-NZ 2.75Å; D300-K354 PolarHBondContact OD2-NZ 3.01Å |
| 301 | T | 86.8 | Confident | 94 | Very high | 26 Ų | 26 | 19 Ų | 19 | 16% | 0.16 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -96 | -39.8 | -175.1 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | L297 I298 N299 Y458 | L297-T301 PolarHBondContact O-N 2.92Å; L297-T301 PolarHBondContact O-OG1 3.1Å; I298-T301 PolarHBondContact O-N 2.72Å; N299-T301 PolarHBondContact O-N 3.21Å; T301-Y458 HydrophobicContact CG2-CD1 3.97Å; T301-Y458 HydrophobicContact CG2-CE1 3.79Å; T301-Y458 WeakPolarHBondContact O-CE1 3.03Å; T301-Y458 VanDerWaalsContact O-CZ 3.27Å; T301-Y458 PolarHBondContact O-OH 2.9Å |
| 302 | L | 92.1 | Very high | 94 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -125.5 | -156.7 | -166.9 | -62.1 | 172.6 | 0 | 0 | 0 | 111.1 | I298 D306 N352 M355 C386 L387 Y458 | I298-L302 HydrophobicContact CG2-CB 4.27Å; I298-L302 HydrophobicContact CG2-CD1 4.23Å; I298-L302 WeakPolarHBondContact O-CA 3.43Å; I298-L302 WeakPolarHBondContact O-CB 3.47Å; I298-L302 PolarHBondContact O-N 3.01Å; L302-D306 HydrophobicContact CB-CB 4.48Å; L302-N352 VanDerWaalsContact O-CB 3.3Å; L302-N352 WeakPolarHBondContact O-CB 3.29Å; L302-N352 PolarHBondContact O-ND2 3.49Å; L302-M355 HydrophobicContact CD2-SD 4.15Å; L302-C386 HydrophobicContact CD1-CB 3.69Å; L302-L387 HydrophobicContact CD2-CD1 4.25Å; L302-L387 HydrophobicContact CD2-CD2 3.47Å; L302-L387 VanDerWaalsContact CD2-CD2 3.47Å; L302-L387 HydrophobicContact CD2-CG 3.61Å; L302-Y458 HydrophobicContact CD2-CE1 3.87Å |
| 303 | R | 93.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 24.9 Ų | 24.9 | 14% | 0.143 | 12% | 0.119 | C | C | . | . | trans | -77.9 | 146.7 | 176.6 | -53 | 171.7 | -67.1 | -176.8 | 2 | 110.2 | M305 D306 A307 M355 C386 D389 | R303-M305 PolarHBondContact O-N 3.37Å; R303-D306 WeakPolarHBondContact CB-OD2 3.48Å; R303-D306 IonicContact CZ-OD1 2.81Å; R303-D306 IonicContact CZ-OD2 3.12Å; R303-D306 PolarHBondContact N-OD2 3.34Å; R303-D306 IonicContact NE-OD1 2.89Å; R303-D306 IonicContact NE-OD2 3.23Å; R303-D306 PolarHBondContact NE-OD2 2.93Å; R303-D306 IonicContact NH2-OD1 2.98Å; R303-D306 PolarHBondContact NH2-OD1 2.9Å; R303-D306 IonicContact NH2-OD2 2.89Å; R303-D306 PolarHBondContact NH2-OD2 2.98Å; R303-D306 WeakPolarHBondContact O-CB 3.43Å; R303-D306 PolarHBondContact O-N 2.7Å; R303-A307 PolarHBondContact O-N 3.35Å; R303-M355 HydrophobicContact CG-CE 3.98Å; R303-M355 HydrophobicContact CG-CG 4.34Å; R303-C386 PolarHBondContact NH2-O 2.76Å; R303-D389 IonicContact CZ-OD2 3.41Å; R303-D389 IonicContact NH1-OD2 3.6Å; R303-D389 PolarHBondContact NH1-OD2 3.42Å; R303-D389 IonicContact NH2-OD2 2.69Å; R303-D389 PolarHBondContact NH2-OD2 3.06Å | ||
| 304 | M | 95.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.7 | -38.4 | 171.7 | -69.9 | 177.8 | -66.2 | 0 | 0 | 111.9 | F232 N299 D306 A307 Y308 F344 A345 Y350 | F232-M304 HydrophobicContact CB-CG 4.01Å; F232-M304 HydrophobicContact CB-SD 3.51Å; F232-M304 VanDerWaalsContact CB-SD 3.51Å; F232-M304 HydrophobicContact CD1-CB 4.27Å; F232-M304 HydrophobicContact CD1-CG 4.1Å; F232-M304 HydrophobicContact CD2-CB 4.42Å; F232-M304 HydrophobicContact CG-CB 4.16Å; F232-M304 HydrophobicContact CG-CG 4.04Å; F232-M304 HydrophobicContact CG-SD 4.14Å; N299-M304 WeakPolarHBondContact OD1-CG 3.43Å; M304-D306 PolarHBondContact O-N 3.27Å; M304-A307 WeakPolarHBondContact O-CA 3.29Å; M304-A307 WeakPolarHBondContact O-CB 3.27Å; M304-A307 PolarHBondContact O-N 2.79Å; M304-Y308 PolarHBondContact O-N 2.8Å; M304-F344 VanDerWaalsContact CE-O 3.23Å; M304-F344 WeakPolarHBondContact CE-O 3.25Å; M304-A345 HydrophobicContact CB-CB 3.85Å; M304-Y350 WeakPolarHBondContact CE-O 3.37Å |
| 305 | M | 95 | Very high | 93.4 | Very high | 37 Ų | 37 | 24.7 Ų | 24.7 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -31 | 177.5 | -167.2 | 56.6 | 54.4 | 0 | 0 | 113.1 | R303 Y308 R309 A345 A346 | R303-M305 PolarHBondContact O-N 3.37Å; M305-Y308 HydrophobicContact SD-CD1 3.91Å; M305-R309 WeakPolarHBondContact O-CB 3.34Å; M305-R309 VanDerWaalsContact O-CG 3.31Å; M305-R309 WeakPolarHBondContact O-CG 3.34Å; M305-R309 PolarHBondContact O-N 3.38Å; M305-A345 VanDerWaalsContact CE-C 3.49Å; M305-A345 HydrophobicContact CE-CB 3.64Å; M305-A345 HydrophobicContact SD-CB 4.47Å; M305-A346 HydrophobicContact CE-CB 3.93Å |
| 306 | D | 94.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 175.3 | -64.9 | -49.7 | 0 | 0 | 0 | 111.6 | I298 L302 R303 M304 S310 C386 | I298-D306 HydrophobicContact CG2-CB 3.88Å; L302-D306 HydrophobicContact CB-CB 4.48Å; R303-D306 WeakPolarHBondContact CB-OD2 3.48Å; R303-D306 IonicContact CZ-OD1 2.81Å; R303-D306 IonicContact CZ-OD2 3.12Å; R303-D306 PolarHBondContact N-OD2 3.34Å; R303-D306 IonicContact NE-OD1 2.89Å; R303-D306 IonicContact NE-OD2 3.23Å; R303-D306 PolarHBondContact NE-OD2 2.93Å; R303-D306 IonicContact NH2-OD1 2.98Å; R303-D306 PolarHBondContact NH2-OD1 2.9Å; R303-D306 IonicContact NH2-OD2 2.89Å; R303-D306 PolarHBondContact NH2-OD2 2.98Å; R303-D306 WeakPolarHBondContact O-CB 3.43Å; R303-D306 PolarHBondContact O-N 2.7Å; M304-D306 PolarHBondContact O-N 3.27Å; D306-S310 PolarHBondContact O-N 2.66Å; D306-C386 HydrophobicContact CB-CB 4.07Å |
| 307 | A | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | F232 A295 I298 N299 R303 M304 S310 L311 | F232-A307 HydrophobicContact CE1-CB 3.59Å; F232-A307 HydrophobicContact CZ-CB 3.81Å; A295-A307 HydrophobicContact CB-CB 4.28Å; A295-A307 WeakPolarHBondContact O-CB 3.41Å; I298-A307 HydrophobicContact CB-CB 4.08Å; I298-A307 HydrophobicContact CG2-CB 3.89Å; N299-A307 HydrophobicContact CB-CB 4.09Å; R303-A307 PolarHBondContact O-N 3.35Å; M304-A307 WeakPolarHBondContact O-CA 3.29Å; M304-A307 WeakPolarHBondContact O-CB 3.27Å; M304-A307 PolarHBondContact O-N 2.79Å; A307-S310 VanDerWaalsContact O-CB 3.23Å; A307-S310 WeakPolarHBondContact O-CB 3.32Å; A307-S310 PolarHBondContact O-N 2.88Å; A307-L311 PolarHBondContact O-N 2.99Å |
| 308 | Y | 96.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -52.6 | 174.5 | 171.4 | -101.1 | 0 | 0 | 0 | 111.8 | M304 M305 S310 L311 E312 Q338 L341 K342 | M304-Y308 PolarHBondContact O-N 2.8Å; M305-Y308 HydrophobicContact SD-CD1 3.91Å; Y308-S310 PolarHBondContact O-N 3.15Å; Y308-S310 VanDerWaalsContact O-N 3.15Å; Y308-L311 PolarHBondContact O-N 2.8Å; Y308-E312 HydrophobicContact CE1-CB 4.4Å; Y308-E312 PolarHBondContact O-N 3.36Å; Y308-E312 PolarHBondContact OH-OE1 3.32Å; Y308-Q338 HydrophobicContact CE2-CG 4.02Å; Y308-Q338 WeakPolarHBondContact CE2-O 3.23Å; Y308-Q338 VanDerWaalsContact OH-CG 3.24Å; Y308-Q338 WeakPolarHBondContact OH-CG 3.41Å; Y308-Q338 PolarHBondContact OH-NE2 2.86Å; Y308-L341 HydrophobicContact CD2-CB 3.98Å; Y308-L341 HydrophobicContact CE2-CB 4.21Å; Y308-K342 HydrophobicContact CD2-CB 4.43Å; Y308-K342 HydrophobicContact CE1-CB 4.28Å; Y308-K342 HydrophobicContact CE1-CD 4.23Å; Y308-K342 HydrophobicContact CE1-CG 4.06Å; Y308-K342 HydrophobicContact CE2-CB 3.84Å |
| 309 | R | 94.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 36 Ų | 36 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.7 | -30.7 | 177.2 | -72.9 | 177.6 | -172.4 | 159.5 | 7 | 112.3 | M305 L311 E312 E313 D389 | M305-R309 WeakPolarHBondContact O-CB 3.34Å; M305-R309 VanDerWaalsContact O-CG 3.31Å; M305-R309 WeakPolarHBondContact O-CG 3.34Å; M305-R309 PolarHBondContact O-N 3.38Å; R309-L311 VanDerWaalsContact C-N 3.34Å; R309-E312 PolarHBondContact O-N 2.78Å; R309-E313 WeakPolarHBondContact O-CB 3.38Å; R309-E313 VanDerWaalsContact O-CG 3.24Å; R309-E313 WeakPolarHBondContact O-CG 3.4Å; R309-E313 PolarHBondContact O-N 2.92Å; R309-D389 IonicContact NH1-OD2 3.38Å; R309-D389 PolarHBondContact NH1-OD2 3.34Å |
| 310 | S | 93.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 114.3 | Q291 D306 A307 Y308 R382 | Q291-S310 PolarHBondContact NE2-O 3.01Å; Q291-S310 PolarHBondContact NE2-OG 3.17Å; D306-S310 PolarHBondContact O-N 2.66Å; A307-S310 VanDerWaalsContact O-CB 3.23Å; A307-S310 WeakPolarHBondContact O-CB 3.32Å; A307-S310 PolarHBondContact O-N 2.88Å; Y308-S310 PolarHBondContact O-N 3.15Å; Y308-S310 VanDerWaalsContact O-N 3.15Å; S310-R382 PolarHBondContact OG-NE 2.93Å; S310-R382 PolarHBondContact OG-NH1 2.82Å |
| 311 | L | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.5 | -43.5 | 175.9 | -67.4 | 166 | 0 | 0 | 0 | 110.4 | I236 Q291 Y292 A295 A307 Y308 R309 E313 F314 Y315 F334 | I236-L311 HydrophobicContact CD1-CD1 3.89Å; I236-L311 HydrophobicContact CG1-CD1 4.41Å; Q291-L311 HydrophobicContact CG-CD2 3.84Å; Y292-L311 HydrophobicContact CD1-CD1 3.97Å; Y292-L311 HydrophobicContact CD1-CD2 3.7Å; Y292-L311 HydrophobicContact CE1-CD1 4.06Å; Y292-L311 HydrophobicContact CE1-CD2 3.9Å; Y292-L311 HydrophobicContact CG-CD2 4.22Å; A295-L311 HydrophobicContact CB-CD1 3.72Å; A295-L311 HydrophobicContact CB-CD2 4.06Å; A295-L311 HydrophobicContact CB-CG 3.74Å; A307-L311 PolarHBondContact O-N 2.99Å; Y308-L311 PolarHBondContact O-N 2.8Å; R309-L311 VanDerWaalsContact C-N 3.34Å; L311-E313 PolarHBondContact O-N 2.73Å; L311-F314 WeakPolarHBondContact O-CB 3.28Å; L311-F314 PolarHBondContact O-N 3.17Å; L311-F314 VanDerWaalsContact O-N 3.1Å; L311-Y315 HydrophobicContact CD2-CE2 4.42Å; L311-Y315 WeakPolarHBondContact O-CD2 3.3Å; L311-Y315 PolarHBondContact O-N 3.42Å; L311-F334 HydrophobicContact CB-CD2 4.32Å; L311-F334 HydrophobicContact CB-CE2 3.51Å; L311-F334 HydrophobicContact CB-CZ 3.98Å; L311-F334 HydrophobicContact CD1-CE2 4.48Å |
| 312 | E | 95.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.4 | -55.1 | 177.3 | -171.1 | 173.5 | -124.6 | 0 | 0 | 111.4 | Y308 R309 F314 Y315 D316 F334 Q338 | Y308-E312 HydrophobicContact CE1-CB 4.4Å; Y308-E312 PolarHBondContact O-N 3.36Å; Y308-E312 PolarHBondContact OH-OE1 3.32Å; R309-E312 PolarHBondContact O-N 2.78Å; E312-F314 PolarHBondContact O-N 3.06Å; E312-F314 VanDerWaalsContact O-N 3.17Å; E312-Y315 PolarHBondContact O-N 3.42Å; E312-Y315 VanDerWaalsContact O-N 3.16Å; E312-D316 WeakPolarHBondContact O-CB 3.46Å; E312-D316 PolarHBondContact O-N 3.11Å; E312-F334 HydrophobicContact CB-CZ 4.49Å; E312-Q338 PolarHBondContact OE1-NE2 2.84Å |
| 313 | E | 92 | Very high | 89.9 | Confident | 107 Ų | 107 | 42.7 Ų | 42.7 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -35.7 | 176.5 | -73.4 | 168.2 | -174.9 | 0 | 0 | 113.1 | R309 L311 R382 | R309-E313 WeakPolarHBondContact O-CB 3.38Å; R309-E313 VanDerWaalsContact O-CG 3.24Å; R309-E313 WeakPolarHBondContact O-CG 3.4Å; R309-E313 PolarHBondContact O-N 2.92Å; L311-E313 PolarHBondContact O-N 2.73Å; E313-R382 IonicContact OE1-NH2 3.53Å; E313-R382 IonicContact OE2-CZ 3.38Å; E313-R382 IonicContact OE2-NH1 3.58Å; E313-R382 IonicContact OE2-NH2 2.81Å; E313-R382 PolarHBondContact OE2-NH2 2.97Å |
| 314 | F | 91.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.3 | -47.2 | 179.1 | 174.8 | -97.1 | 0 | 0 | 0 | 111.2 | H288 Q291 L311 E312 T317 K318 | H288-F314 AromaticContact CE1-CE1 3.67Å; H288-F314 AromaticContact ND1-CE1 3.73Å; H288-F314 AromaticContact NE2-CE1 3.94Å; H288-F314 AromaticContact NE2-CZ 3.92Å; Q291-F314 HydrophobicContact CB-CD1 4.34Å; Q291-F314 HydrophobicContact CB-CE1 4.31Å; Q291-F314 HydrophobicContact CB-CE2 4.48Å; Q291-F314 HydrophobicContact CB-CG 4.43Å; Q291-F314 HydrophobicContact CB-CZ 4.38Å; Q291-F314 HydrophobicContact CG-CB 3.92Å; Q291-F314 HydrophobicContact CG-CD1 3.79Å; Q291-F314 HydrophobicContact CG-CD2 3.96Å; Q291-F314 HydrophobicContact CG-CE1 4.25Å; Q291-F314 HydrophobicContact CG-CE2 4.41Å; Q291-F314 HydrophobicContact CG-CG 3.62Å; L311-F314 WeakPolarHBondContact O-CB 3.28Å; L311-F314 PolarHBondContact O-N 3.17Å; L311-F314 VanDerWaalsContact O-N 3.1Å; E312-F314 PolarHBondContact O-N 3.06Å; E312-F314 VanDerWaalsContact O-N 3.17Å; F314-T317 PolarHBondContact O-OG1 3.07Å; F314-K318 HydrophobicContact CE1-CG 4.48Å; F314-K318 WeakPolarHBondContact O-CG 3.19Å |
| 315 | Y | 93.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.6 | -29.6 | -176.8 | -79.1 | -77.1 | 0 | 0 | 0 | 113.4 | H288 Y292 L311 E312 T317 K318 V319 L330 V331 F334 | H288-Y315 AromaticContact CE1-CE1 3.62Å; H288-Y315 AromaticContact ND1-CE1 3.49Å; H288-Y315 WeakPolarHBondContact ND1-CE1 3.27Å; H288-Y315 AromaticContact ND1-CZ 3.49Å; H288-Y315 PolarHBondContact ND1-OH 2.95Å; Y292-Y315 HydrophobicContact CE2-CE2 4.4Å; Y292-Y315 WeakPolarHBondContact CE2-OH 3.36Å; Y292-Y315 PolarHBondContact OH-OH 3.02Å; Y292-Y315 VanDerWaalsContact OH-OH 3.11Å; L311-Y315 HydrophobicContact CD2-CE2 4.42Å; L311-Y315 WeakPolarHBondContact O-CD2 3.3Å; L311-Y315 PolarHBondContact O-N 3.42Å; E312-Y315 PolarHBondContact O-N 3.42Å; E312-Y315 VanDerWaalsContact O-N 3.16Å; Y315-T317 PolarHBondContact O-N 3.48Å; Y315-K318 WeakPolarHBondContact O-CA 3.47Å; Y315-K318 WeakPolarHBondContact O-CB 3.28Å; Y315-K318 PolarHBondContact O-N 3.41Å; Y315-V319 WeakPolarHBondContact O-CG2 3.44Å; Y315-V319 PolarHBondContact O-N 3.35Å; Y315-V319 VanDerWaalsContact O-N 3.13Å; Y315-L330 WeakPolarHBondContact CE1-O 3.46Å; Y315-V331 HydrophobicContact CD1-CG2 4.17Å; Y315-V331 HydrophobicContact CE1-CG2 4.41Å; Y315-F334 VanDerWaalsContact CB-CD1 3.42Å; Y315-F334 HydrophobicContact CD1-CB 3.91Å; Y315-F334 HydrophobicContact CD1-CD1 4.17Å; Y315-F334 HydrophobicContact CD1-CG 4.18Å; Y315-F334 HydrophobicContact CD2-CB 3.72Å; Y315-F334 AromaticContact CD2-CD1 3.42Å; Y315-F334 HydrophobicContact CD2-CD1 3.42Å; Y315-F334 VanDerWaalsContact CD2-CD1 3.42Å; Y315-F334 AromaticContact CD2-CD2 3.55Å; Y315-F334 HydrophobicContact CD2-CD2 3.55Å; Y315-F334 AromaticContact CD2-CE1 3.86Å; Y315-F334 HydrophobicContact CD2-CE1 3.86Å; Y315-F334 AromaticContact CD2-CE2 4Å; Y315-F334 HydrophobicContact CD2-CE2 4Å; Y315-F334 AromaticContact CD2-CG 3.23Å; Y315-F334 HydrophobicContact CD2-CG 3.23Å; Y315-F334 HydrophobicContact CD2-CZ 4.13Å; Y315-F334 HydrophobicContact CE1-CB 3.84Å; Y315-F334 HydrophobicContact CE1-CG 4.43Å; Y315-F334 HydrophobicContact CE2-CB 3.65Å; Y315-F334 HydrophobicContact CE2-CD1 4.22Å; Y315-F334 AromaticContact CE2-CD2 3.68Å; Y315-F334 HydrophobicContact CE2-CD2 3.68Å; Y315-F334 HydrophobicContact CE2-CE2 4.41Å; Y315-F334 AromaticContact CE2-CG 3.56Å; Y315-F334 HydrophobicContact CE2-CG 3.56Å; Y315-F334 HydrophobicContact CG-CB 3.86Å; Y315-F334 AromaticContact CG-CD1 3.4Å; Y315-F334 HydrophobicContact CG-CD1 3.4Å; Y315-F334 VanDerWaalsContact CG-CD1 3.4Å; Y315-F334 HydrophobicContact CG-CD2 4.36Å; Y315-F334 HydrophobicContact CG-CE1 4.01Å; Y315-F334 AromaticContact CG-CG 3.6Å; Y315-F334 HydrophobicContact CG-CG 3.6Å |
| 316 | D | 89.6 | Confident | 89.6 | Confident | 97 Ų | 97 | 43.9 Ų | 43.9 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.9 | -38.3 | 174.4 | -76.6 | -13 | 0 | 0 | 0 | 111.8 | E312 K318 | E312-D316 WeakPolarHBondContact O-CB 3.46Å; E312-D316 PolarHBondContact O-N 3.11Å; D316-K318 VanDerWaalsContact C-N 3.27Å; D316-K318 PolarHBondContact O-N 3.36Å |
| 317 | T | 83.1 | Confident | 89.6 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 56% | 0.564 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.3 | 176.4 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | F314 Y315 | F314-T317 PolarHBondContact O-OG1 3.07Å; Y315-T317 PolarHBondContact O-N 3.48Å |
| 318 | K | 83.9 | Confident | 89.5 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 16% | 0.161 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23.9 | -171.5 | -66.8 | -68.5 | -175.9 | 179.7 | 0 | 114.3 | F314 Y315 D316 I320 T321 V331 | F314-K318 HydrophobicContact CE1-CG 4.48Å; F314-K318 WeakPolarHBondContact O-CG 3.19Å; Y315-K318 WeakPolarHBondContact O-CA 3.47Å; Y315-K318 WeakPolarHBondContact O-CB 3.28Å; Y315-K318 PolarHBondContact O-N 3.41Å; D316-K318 VanDerWaalsContact C-N 3.27Å; D316-K318 PolarHBondContact O-N 3.36Å; K318-I320 PolarHBondContact O-N 3.19Å; K318-I320 VanDerWaalsContact O-N 3.11Å; K318-T321 WeakPolarHBondContact CA-OG1 3.22Å; K318-T321 PolarHBondContact O-N 2.99Å; K318-T321 PolarHBondContact O-OG1 2.85Å; K318-V331 HydrophobicContact CB-CG2 4.14Å |
| 319 | V | 76.6 | Confident | 89.5 | Confident | 70 Ų | 70 | 54 Ų | 54 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -37.2 | -178.4 | 179.1 | 0 | 0 | 0 | 0 | 112 | Y315 V331 | Y315-V319 WeakPolarHBondContact O-CG2 3.44Å; Y315-V319 PolarHBondContact O-N 3.35Å; Y315-V319 VanDerWaalsContact O-N 3.13Å; V319-V331 HydrophobicContact CG2-CG1 4.29Å |
| 320 | I | 76.8 | Confident | 89.6 | Confident | 142 Ų | 142 | 50.1 Ų | 50.1 | 73% | 0.728 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -8 | -175 | -49.1 | 171.2 | 0 | 0 | 0 | 111.8 | K318 | K318-I320 PolarHBondContact O-N 3.19Å; K318-I320 VanDerWaalsContact O-N 3.11Å |
| 321 | T | 79.8 | Confident | 89.7 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.135 | 27% | 0.268 | C | S | . | . | trans | -110.5 | 16.3 | -172.2 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | K318 I323 N617 N619 | K318-T321 WeakPolarHBondContact CA-OG1 3.22Å; K318-T321 PolarHBondContact O-N 2.99Å; K318-T321 PolarHBondContact O-OG1 2.85Å; T321-I323 PolarHBondContact O-N 3.46Å; T321-N617 WeakPolarHBondContact CA-O 3.16Å; T321-N617 WeakPolarHBondContact CB-O 3.46Å; T321-N619 HydrophobicContact CG2-CB 4.23Å | ||
| 322 | A | 85.7 | Confident | 89.8 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | trans | -63.3 | 128.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | D327 Y328 N617 | A322-D327 HydrophobicContact CB-CB 3.91Å; A322-Y328 HydrophobicContact CB-CD1 4.14Å; A322-Y328 HydrophobicContact CB-CE1 3.83Å; A322-Y328 HydrophobicContact CB-CE2 4.39Å; A322-N617 PolarHBondContact O-ND2 3.12Å | ||
| 323 | I | 86.6 | Confident | 89.9 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | trans | -103.6 | -47.7 | -177.5 | -53.1 | -174 | 0 | 0 | 0 | 111.1 | T321 D327 C561 C618 | T321-I323 PolarHBondContact O-N 3.46Å; I323-D327 WeakPolarHBondContact CB-OD2 3.43Å; I323-D327 PolarHBondContact N-OD2 2.99Å; I323-C561 HydrophobicContact CD1-CB 3.94Å; I323-C618 HydrophobicContact CD1-CB 3.76Å | ||
| 324 | D | 90.2 | Very high | 90.1 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -141.2 | -178.7 | -173.7 | 69.3 | 27.8 | 0 | 0 | 0 | 112.4 | R280 T326 D327 Y328 | R280-D324 WeakPolarHBondContact CD-OD2 3.25Å; R280-D324 IonicContact CZ-OD2 3.64Å; R280-D324 IonicContact NE-OD2 2.96Å; R280-D324 IonicContact NH1-OD1 3.22Å; R280-D324 PolarHBondContact NH1-OD1 3.09Å; R280-D324 IonicContact NH1-OD2 2.63Å; R280-D324 PolarHBondContact NH1-OD2 3.23Å; D324-T326 PolarHBondContact O-N 3.15Å; D324-T326 VanDerWaalsContact O-N 3.12Å; D324-T326 WeakPolarHBondContact OD1-CA 3.19Å; D324-T326 WeakPolarHBondContact OD1-CB 3.4Å; D324-T326 PolarHBondContact OD1-N 3.43Å; D324-T326 PolarHBondContact OD1-OG1 2.82Å; D324-D327 PolarHBondContact O-N 3.46Å; D324-D327 PolarHBondContact OD1-N 2.87Å; D324-Y328 WeakPolarHBondContact O-CD2 2.89Å; D324-Y328 PolarHBondContact O-N 2.87Å |
| 325 | G | 91.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.4 | -26.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F329 | G325-F329 WeakPolarHBondContact O-CB 3.29Å; G325-F329 PolarHBondContact O-N 2.8Å |
| 326 | T | 94.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.1 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | F246 L281 Q284 D324 F329 L330 | F246-T326 HydrophobicContact CE1-CG2 3.94Å; L281-T326 HydrophobicContact CG-CG2 4.23Å; Q284-T326 HydrophobicContact CB-CG2 3.99Å; D324-T326 PolarHBondContact O-N 3.15Å; D324-T326 VanDerWaalsContact O-N 3.12Å; D324-T326 WeakPolarHBondContact OD1-CA 3.19Å; D324-T326 WeakPolarHBondContact OD1-CB 3.4Å; D324-T326 PolarHBondContact OD1-N 3.43Å; D324-T326 PolarHBondContact OD1-OG1 2.82Å; T326-F329 PolarHBondContact O-N 3.37Å; T326-L330 HydrophobicContact CG2-CD1 3.67Å; T326-L330 HydrophobicContact CG2-CG 4.3Å; T326-L330 WeakPolarHBondContact O-CB 2.88Å; T326-L330 WeakPolarHBondContact O-CG 2.99Å; T326-L330 PolarHBondContact O-N 2.89Å |
| 327 | D | 93.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | -178.7 | -61.4 | -12.4 | 0 | 0 | 0 | 110.8 | R280 A322 I323 D324 L330 V331 | R280-D327 IonicContact CZ-OD1 3.81Å; R280-D327 IonicContact CZ-OD2 3.61Å; R280-D327 IonicContact NH1-OD1 3.64Å; R280-D327 PolarHBondContact NH1-OD1 3.4Å; R280-D327 IonicContact NH1-OD2 3.18Å; R280-D327 PolarHBondContact NH1-OD2 3.09Å; R280-D327 VanDerWaalsContact NH2-CG 3.28Å; R280-D327 IonicContact NH2-OD1 2.97Å; R280-D327 PolarHBondContact NH2-OD1 3Å; R280-D327 IonicContact NH2-OD2 2.77Å; R280-D327 PolarHBondContact NH2-OD2 3.49Å; A322-D327 HydrophobicContact CB-CB 3.91Å; I323-D327 WeakPolarHBondContact CB-OD2 3.43Å; I323-D327 PolarHBondContact N-OD2 2.99Å; D324-D327 PolarHBondContact O-N 3.46Å; D324-D327 PolarHBondContact OD1-N 2.87Å; D327-L330 PolarHBondContact O-N 2.85Å; D327-V331 WeakPolarHBondContact O-CB 3.42Å; D327-V331 VanDerWaalsContact O-CG2 3.26Å; D327-V331 WeakPolarHBondContact O-CG2 3.32Å; D327-V331 PolarHBondContact O-N 3.06Å |
| 328 | Y | 94.5 | Very high | 91.5 | Very high | 147 Ų | 147 | 49 Ų | 49 | 58% | 0.576 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 175.5 | -69.4 | -68.8 | 0 | 0 | 0 | 112 | A322 D324 G332 | A322-Y328 HydrophobicContact CB-CD1 4.14Å; A322-Y328 HydrophobicContact CB-CE1 3.83Å; A322-Y328 HydrophobicContact CB-CE2 4.39Å; D324-Y328 WeakPolarHBondContact O-CD2 2.89Å; D324-Y328 PolarHBondContact O-N 2.87Å; Y328-G332 WeakPolarHBondContact O-CA 3.03Å; Y328-G332 PolarHBondContact O-N 3.34Å |
| 329 | F | 96.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 175.2 | 168.9 | -101.5 | 0 | 0 | 0 | 111.7 | I243 F246 G325 T326 G332 L333 | I243-F329 HydrophobicContact CG1-CE1 4.26Å; F246-F329 HydrophobicContact CB-CD1 4.06Å; F246-F329 HydrophobicContact CB-CE1 3.43Å; F246-F329 VanDerWaalsContact CB-CE1 3.43Å; F246-F329 HydrophobicContact CB-CE2 4.4Å; F246-F329 HydrophobicContact CB-CZ 3.63Å; F246-F329 AromaticContact CD1-CD1 3.6Å; F246-F329 HydrophobicContact CD1-CD1 3.6Å; F246-F329 AromaticContact CD1-CE1 3.82Å; F246-F329 HydrophobicContact CD1-CE1 3.82Å; F246-F329 HydrophobicContact CD1-CG 4.34Å; F246-F329 HydrophobicContact CD2-CB 4.49Å; F246-F329 AromaticContact CD2-CD1 3.79Å; F246-F329 HydrophobicContact CD2-CD1 3.79Å; F246-F329 HydrophobicContact CD2-CD2 4.01Å; F246-F329 AromaticContact CD2-CE1 3.98Å; F246-F329 HydrophobicContact CD2-CE1 3.98Å; F246-F329 HydrophobicContact CD2-CE2 4.17Å; F246-F329 AromaticContact CD2-CG 3.81Å; F246-F329 HydrophobicContact CD2-CG 3.81Å; F246-F329 HydrophobicContact CD2-CZ 4.16Å; F246-F329 AromaticContact CE1-CD1 3.94Å; F246-F329 HydrophobicContact CE1-CD1 3.94Å; F246-F329 HydrophobicContact CE1-CG 4.4Å; F246-F329 HydrophobicContact CE2-CB 4.05Å; F246-F329 HydrophobicContact CE2-CD1 4.11Å; F246-F329 HydrophobicContact CE2-CD2 4.3Å; F246-F329 AromaticContact CE2-CG 3.87Å; F246-F329 HydrophobicContact CE2-CG 3.87Å; F246-F329 AromaticContact CG-CD1 3.52Å; F246-F329 HydrophobicContact CG-CD1 3.52Å; F246-F329 HydrophobicContact CG-CD2 4.47Å; F246-F329 AromaticContact CG-CE1 3.46Å; F246-F329 HydrophobicContact CG-CE1 3.46Å; F246-F329 VanDerWaalsContact CG-CE1 3.46Å; F246-F329 HydrophobicContact CG-CE2 4.41Å; F246-F329 HydrophobicContact CG-CG 4.05Å; F246-F329 AromaticContact CG-CZ 3.93Å; F246-F329 HydrophobicContact CG-CZ 3.93Å; F246-F329 HydrophobicContact CZ-CB 4.07Å; F246-F329 HydrophobicContact CZ-CD1 4.17Å; F246-F329 HydrophobicContact CZ-CG 4.18Å; G325-F329 WeakPolarHBondContact O-CB 3.29Å; G325-F329 PolarHBondContact O-N 2.8Å; T326-F329 PolarHBondContact O-N 3.37Å; F329-G332 PolarHBondContact O-N 2.95Å; F329-L333 HydrophobicContact CE1-CD2 4.47Å; F329-L333 HydrophobicContact CZ-CD2 4.26Å; F329-L333 VanDerWaalsContact O-CB 3.28Å; F329-L333 WeakPolarHBondContact O-CB 3.29Å; F329-L333 PolarHBondContact O-N 2.94Å |
| 330 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | -175.4 | -69.2 | 169.1 | 0 | 0 | 0 | 112.7 | I243 Q284 H288 Y315 T326 D327 F334 | I243-L330 HydrophobicContact CD1-CD2 3.86Å; I243-L330 HydrophobicContact CG1-CD2 3.82Å; I243-L330 HydrophobicContact CG2-CD2 4.03Å; Q284-L330 HydrophobicContact CB-CD1 4.16Å; H288-L330 HydrophobicContact CB-CD1 4.3Å; H288-L330 HydrophobicContact CB-CD2 4.09Å; Y315-L330 WeakPolarHBondContact CE1-O 3.46Å; T326-L330 HydrophobicContact CG2-CD1 3.67Å; T326-L330 HydrophobicContact CG2-CG 4.3Å; T326-L330 WeakPolarHBondContact O-CB 2.88Å; T326-L330 WeakPolarHBondContact O-CG 2.99Å; T326-L330 PolarHBondContact O-N 2.89Å; D327-L330 PolarHBondContact O-N 2.85Å; L330-F334 PolarHBondContact O-N 2.99Å |
| 331 | V | 95.6 | Very high | 94 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.3 | -44.7 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | Y315 K318 V319 D327 L333 F334 Q335 | Y315-V331 HydrophobicContact CD1-CG2 4.17Å; Y315-V331 HydrophobicContact CE1-CG2 4.41Å; K318-V331 HydrophobicContact CB-CG2 4.14Å; V319-V331 HydrophobicContact CG2-CG1 4.29Å; D327-V331 WeakPolarHBondContact O-CB 3.42Å; D327-V331 VanDerWaalsContact O-CG2 3.26Å; D327-V331 WeakPolarHBondContact O-CG2 3.32Å; D327-V331 PolarHBondContact O-N 3.06Å; V331-L333 PolarHBondContact O-N 2.91Å; V331-F334 PolarHBondContact O-N 2.91Å; V331-Q335 HydrophobicContact CG1-CG 4.27Å; V331-Q335 WeakPolarHBondContact O-CG 3.27Å; V331-Q335 PolarHBondContact O-N 2.95Å |
| 332 | G | 96.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y328 F329 F334 Q335 E336 | Y328-G332 WeakPolarHBondContact O-CA 3.03Å; Y328-G332 PolarHBondContact O-N 3.34Å; F329-G332 PolarHBondContact O-N 2.95Å; G332-F334 VanDerWaalsContact C-N 3.27Å; G332-F334 PolarHBondContact O-N 2.87Å; G332-Q335 PolarHBondContact O-N 3.15Å; G332-Q335 VanDerWaalsContact O-N 3.11Å; G332-E336 WeakPolarHBondContact O-CB 2.85Å; G332-E336 WeakPolarHBondContact O-CG 3.25Å; G332-E336 PolarHBondContact O-N 2.87Å |
| 333 | L | 97.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.5 | -41.7 | 176 | 179.9 | 65.4 | 0 | 0 | 0 | 111.9 | M239 Q242 I243 F329 V331 N337 | M239-L333 HydrophobicContact CB-CD2 4.38Å; M239-L333 HydrophobicContact CE-CG 4.01Å; M239-L333 WeakPolarHBondContact CE-O 3.11Å; Q242-L333 HydrophobicContact CB-CD1 4.28Å; Q242-L333 HydrophobicContact CB-CD2 4.08Å; Q242-L333 HydrophobicContact CG-CD1 4.37Å; I243-L333 HydrophobicContact CD1-CD2 4.12Å; I243-L333 HydrophobicContact CG1-CD2 3.68Å; F329-L333 HydrophobicContact CE1-CD2 4.47Å; F329-L333 HydrophobicContact CZ-CD2 4.26Å; F329-L333 VanDerWaalsContact O-CB 3.28Å; F329-L333 WeakPolarHBondContact O-CB 3.29Å; F329-L333 PolarHBondContact O-N 2.94Å; V331-L333 PolarHBondContact O-N 2.91Å; L333-N337 PolarHBondContact O-ND2 3.05Å |
| 334 | F | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 176 | 178.9 | -105.5 | 0 | 0 | 0 | 112.4 | M239 L311 E312 Y315 L330 V331 G332 E336 N337 Q338 L341 | M239-F334 HydrophobicContact CE-CD2 4.5Å; L311-F334 HydrophobicContact CB-CD2 4.32Å; L311-F334 HydrophobicContact CB-CE2 3.51Å; L311-F334 HydrophobicContact CB-CZ 3.98Å; L311-F334 HydrophobicContact CD1-CE2 4.48Å; E312-F334 HydrophobicContact CB-CZ 4.49Å; Y315-F334 VanDerWaalsContact CB-CD1 3.42Å; Y315-F334 HydrophobicContact CD1-CB 3.91Å; Y315-F334 HydrophobicContact CD1-CD1 4.17Å; Y315-F334 HydrophobicContact CD1-CG 4.18Å; Y315-F334 HydrophobicContact CD2-CB 3.72Å; Y315-F334 AromaticContact CD2-CD1 3.42Å; Y315-F334 HydrophobicContact CD2-CD1 3.42Å; Y315-F334 VanDerWaalsContact CD2-CD1 3.42Å; Y315-F334 AromaticContact CD2-CD2 3.55Å; Y315-F334 HydrophobicContact CD2-CD2 3.55Å; Y315-F334 AromaticContact CD2-CE1 3.86Å; Y315-F334 HydrophobicContact CD2-CE1 3.86Å; Y315-F334 AromaticContact CD2-CE2 4Å; Y315-F334 HydrophobicContact CD2-CE2 4Å; Y315-F334 AromaticContact CD2-CG 3.23Å; Y315-F334 HydrophobicContact CD2-CG 3.23Å; Y315-F334 HydrophobicContact CD2-CZ 4.13Å; Y315-F334 HydrophobicContact CE1-CB 3.84Å; Y315-F334 HydrophobicContact CE1-CG 4.43Å; Y315-F334 HydrophobicContact CE2-CB 3.65Å; Y315-F334 HydrophobicContact CE2-CD1 4.22Å; Y315-F334 AromaticContact CE2-CD2 3.68Å; Y315-F334 HydrophobicContact CE2-CD2 3.68Å; Y315-F334 HydrophobicContact CE2-CE2 4.41Å; Y315-F334 AromaticContact CE2-CG 3.56Å; Y315-F334 HydrophobicContact CE2-CG 3.56Å; Y315-F334 HydrophobicContact CG-CB 3.86Å; Y315-F334 AromaticContact CG-CD1 3.4Å; Y315-F334 HydrophobicContact CG-CD1 3.4Å; Y315-F334 VanDerWaalsContact CG-CD1 3.4Å; Y315-F334 HydrophobicContact CG-CD2 4.36Å; Y315-F334 HydrophobicContact CG-CE1 4.01Å; Y315-F334 AromaticContact CG-CG 3.6Å; Y315-F334 HydrophobicContact CG-CG 3.6Å; L330-F334 PolarHBondContact O-N 2.99Å; V331-F334 PolarHBondContact O-N 2.91Å; G332-F334 VanDerWaalsContact C-N 3.27Å; G332-F334 PolarHBondContact O-N 2.87Å; F334-E336 PolarHBondContact O-N 2.92Å; F334-N337 CarbonylContact O-C 3.59Å; F334-N337 PolarHBondContact O-N 3.41Å; F334-Q338 HydrophobicContact CE1-CG 4.23Å; F334-Q338 HydrophobicContact CZ-CG 4.25Å; F334-Q338 WeakPolarHBondContact O-CB 3.44Å; F334-Q338 PolarHBondContact O-N 3.12Å; F334-L341 HydrophobicContact CD2-CD1 4.39Å; F334-L341 HydrophobicContact CE2-CD1 4.12Å |
| 335 | Q | 95.6 | Very high | 96.1 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | -177.6 | -73.3 | 175.9 | -24.6 | 0 | 0 | 112.3 | V331 G332 N337 Q338 | V331-Q335 HydrophobicContact CG1-CG 4.27Å; V331-Q335 WeakPolarHBondContact O-CG 3.27Å; V331-Q335 PolarHBondContact O-N 2.95Å; G332-Q335 PolarHBondContact O-N 3.15Å; G332-Q335 VanDerWaalsContact O-N 3.11Å; Q335-N337 PolarHBondContact O-N 2.87Å; Q335-Q338 PolarHBondContact O-N 2.87Å |
| 336 | E | 97.1 | Very high | 96.2 | Very high | 159 Ų | 159 | 52.6 Ų | 52.6 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.4 | -31.4 | 177.8 | -72.4 | 172.5 | -173 | 0 | 0 | 112.5 | G332 F334 | G332-E336 WeakPolarHBondContact O-CB 2.85Å; G332-E336 WeakPolarHBondContact O-CG 3.25Å; G332-E336 PolarHBondContact O-N 2.87Å; F334-E336 PolarHBondContact O-N 2.92Å |
| 337 | N | 97.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -102.7 | -1.3 | -176.5 | -68.1 | -77.3 | 0 | 0 | 0 | 113.5 | H235 W238 M239 L333 F334 Q335 V339 E340 L341 | H235-N337 PolarHBondContact CE1-OD1 3.48Å; H235-N337 VanDerWaalsContact CE1-OD1 3.23Å; H235-N337 WeakPolarHBondContact NE2-CB 3.47Å; H235-N337 PolarHBondContact NE2-OD1 3.4Å; H235-N337 VanDerWaalsContact NE2-OD1 3.12Å; W238-N337 WeakPolarHBondContact CZ3-OD1 3.23Å; M239-N337 HydrophobicContact CE-CB 3.79Å; M239-N337 HydrophobicContact SD-CB 3.97Å; L333-N337 PolarHBondContact O-ND2 3.05Å; F334-N337 CarbonylContact O-C 3.59Å; F334-N337 PolarHBondContact O-N 3.41Å; Q335-N337 PolarHBondContact O-N 2.87Å; N337-V339 PolarHBondContact O-N 2.98Å; N337-E340 PolarHBondContact O-N 3.43Å; N337-L341 WeakPolarHBondContact O-CB 3.26Å; N337-L341 WeakPolarHBondContact O-CG 3.27Å; N337-L341 PolarHBondContact O-N 3.4Å |
| 338 | Q | 96.2 | Very high | 96 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | -172.1 | -175.4 | -179.4 | 14.2 | 0 | 0 | 112.4 | Y308 E312 F334 Q335 K342 | Y308-Q338 HydrophobicContact CE2-CG 4.02Å; Y308-Q338 WeakPolarHBondContact CE2-O 3.23Å; Y308-Q338 VanDerWaalsContact OH-CG 3.24Å; Y308-Q338 WeakPolarHBondContact OH-CG 3.41Å; Y308-Q338 PolarHBondContact OH-NE2 2.86Å; E312-Q338 PolarHBondContact OE1-NE2 2.84Å; F334-Q338 HydrophobicContact CE1-CG 4.23Å; F334-Q338 HydrophobicContact CZ-CG 4.25Å; F334-Q338 WeakPolarHBondContact O-CB 3.44Å; F334-Q338 PolarHBondContact O-N 3.12Å; Q335-Q338 PolarHBondContact O-N 2.87Å; Q338-K342 WeakPolarHBondContact O-CB 3.43Å; Q338-K342 PolarHBondContact O-N 3.32Å |
| 339 | V | 96.9 | Very high | 95.8 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.4 | -44.5 | -178.9 | 177 | 0 | 0 | 0 | 0 | 110.7 | N337 K342 N343 | N337-V339 PolarHBondContact O-N 2.98Å; V339-K342 PolarHBondContact O-N 3.44Å; V339-N343 PolarHBondContact O-N 3.34Å; V339-N343 PolarHBondContact O-ND2 3.27Å |
| 340 | E | 96.9 | Very high | 95.5 | Very high | 86 Ų | 86 | 58.8 Ų | 58.8 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 179.6 | -173.8 | 173.2 | -161.9 | 0 | 0 | 111.5 | H235 N337 K342 N343 F344 | H235-E340 IonicContact CE1-OE2 3.06Å; H235-E340 PolarHBondContact CE1-OE2 2.95Å; H235-E340 IonicContact ND1-OE2 3.57Å; N337-E340 PolarHBondContact O-N 3.43Å; E340-K342 VanDerWaalsContact C-N 3.28Å; E340-K342 PolarHBondContact O-N 2.9Å; E340-N343 WeakPolarHBondContact O-CB 3.38Å; E340-N343 PolarHBondContact O-N 2.83Å; E340-N343 VanDerWaalsContact O-N 3.12Å; E340-F344 HydrophobicContact CG-CD2 4.05Å; E340-F344 HydrophobicContact CG-CE2 3.45Å; E340-F344 VanDerWaalsContact CG-CE2 3.45Å; E340-F344 HydrophobicContact CG-CZ 3.81Å; E340-F344 WeakPolarHBondContact O-CD2 3.48Å; E340-F344 PolarHBondContact O-N 3.16Å; E340-F344 WeakPolarHBondContact OE1-CZ 3.47Å |
| 341 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.4 | -43.1 | 173.4 | -78.3 | 175.1 | 0 | 0 | 0 | 112.2 | F232 H235 I236 M239 Y308 F334 N337 F344 A345 | F232-L341 HydrophobicContact CD2-CD2 3.96Å; F232-L341 HydrophobicContact CE2-CB 4.33Å; F232-L341 HydrophobicContact CE2-CD2 3.83Å; H235-L341 HydrophobicContact CB-CD2 4.4Å; I236-L341 HydrophobicContact CG1-CD2 3.92Å; M239-L341 HydrophobicContact CE-CD1 4.43Å; M239-L341 HydrophobicContact SD-CD1 3.84Å; M239-L341 HydrophobicContact SD-CG 4.43Å; Y308-L341 HydrophobicContact CD2-CB 3.98Å; Y308-L341 HydrophobicContact CE2-CB 4.21Å; F334-L341 HydrophobicContact CD2-CD1 4.39Å; F334-L341 HydrophobicContact CE2-CD1 4.12Å; N337-L341 WeakPolarHBondContact O-CB 3.26Å; N337-L341 WeakPolarHBondContact O-CG 3.27Å; N337-L341 PolarHBondContact O-N 3.4Å; L341-F344 PolarHBondContact O-N 2.96Å; L341-A345 VanDerWaalsContact O-CB 3.25Å; L341-A345 WeakPolarHBondContact O-CB 3.34Å; L341-A345 PolarHBondContact O-N 3.43Å |
| 342 | K | 97.2 | Very high | 94.7 | Very high | 102 Ų | 102 | 63.3 Ų | 63.3 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.1 | -170.2 | 174.6 | -171.3 | 162 | 0 | 111.8 | Y308 Q338 V339 E340 A345 A346 | Y308-K342 HydrophobicContact CD2-CB 4.43Å; Y308-K342 HydrophobicContact CE1-CB 4.28Å; Y308-K342 HydrophobicContact CE1-CD 4.23Å; Y308-K342 HydrophobicContact CE1-CG 4.06Å; Y308-K342 HydrophobicContact CE2-CB 3.84Å; Q338-K342 WeakPolarHBondContact O-CB 3.43Å; Q338-K342 PolarHBondContact O-N 3.32Å; V339-K342 PolarHBondContact O-N 3.44Å; E340-K342 VanDerWaalsContact C-N 3.28Å; E340-K342 PolarHBondContact O-N 2.9Å; K342-A345 PolarHBondContact O-N 2.97Å; K342-A346 WeakPolarHBondContact O-CB 3.24Å; K342-A346 PolarHBondContact O-N 3.33Å |
| 343 | N | 97 | Very high | 94.5 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 177.4 | -70.2 | -20.3 | 0 | 0 | 0 | 111.3 | V339 E340 A345 A346 D347 | V339-N343 PolarHBondContact O-N 3.34Å; V339-N343 PolarHBondContact O-ND2 3.27Å; E340-N343 WeakPolarHBondContact O-CB 3.38Å; E340-N343 PolarHBondContact O-N 2.83Å; E340-N343 VanDerWaalsContact O-N 3.12Å; N343-A345 VanDerWaalsContact C-N 3.31Å; N343-A345 PolarHBondContact O-N 3.45Å; N343-A346 PolarHBondContact O-N 2.88Å; N343-D347 PolarHBondContact O-N 3.1Å |
| 344 | F | 96.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 64 Ų | 64 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.1 | -66.6 | -40.6 | 0 | 0 | 0 | 111.9 | P231 F232 H235 M304 E340 L341 A346 D347 | P231-F344 HydrophobicContact CB-CD1 3.89Å; P231-F344 HydrophobicContact CB-CE1 3.94Å; P231-F344 HydrophobicContact CB-CG 4.21Å; P231-F344 HydrophobicContact CB-CZ 4.26Å; P231-F344 HydrophobicContact CG-CD1 4Å; P231-F344 HydrophobicContact CG-CE1 4.44Å; P231-F344 HydrophobicContact CG-CG 4.38Å; F232-F344 HydrophobicContact CB-CB 3.99Å; F232-F344 HydrophobicContact CD2-CB 4.29Å; H235-F344 HydrophobicContact CB-CD2 4.27Å; H235-F344 HydrophobicContact CB-CE2 4.03Å; M304-F344 VanDerWaalsContact CE-O 3.23Å; M304-F344 WeakPolarHBondContact CE-O 3.25Å; E340-F344 HydrophobicContact CG-CD2 4.05Å; E340-F344 HydrophobicContact CG-CE2 3.45Å; E340-F344 VanDerWaalsContact CG-CE2 3.45Å; E340-F344 HydrophobicContact CG-CZ 3.81Å; E340-F344 WeakPolarHBondContact O-CD2 3.48Å; E340-F344 PolarHBondContact O-N 3.16Å; E340-F344 WeakPolarHBondContact OE1-CZ 3.47Å; L341-F344 PolarHBondContact O-N 2.96Å; F344-A346 VanDerWaalsContact C-N 3.27Å; F344-A346 PolarHBondContact O-N 3.11Å; F344-D347 PolarHBondContact O-N 3.14Å |
| 345 | A | 94.9 | Very high | 94 | Very high | 9 Ų | 9 | 64 Ų | 64 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.3 | -24.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F232 M304 M305 L341 K342 N343 | F232-A345 HydrophobicContact CD2-CB 3.99Å; F232-A345 HydrophobicContact CE2-CB 3.98Å; M304-A345 HydrophobicContact CB-CB 3.85Å; M305-A345 VanDerWaalsContact CE-C 3.49Å; M305-A345 HydrophobicContact CE-CB 3.64Å; M305-A345 HydrophobicContact SD-CB 4.47Å; L341-A345 VanDerWaalsContact O-CB 3.25Å; L341-A345 WeakPolarHBondContact O-CB 3.34Å; L341-A345 PolarHBondContact O-N 3.43Å; K342-A345 PolarHBondContact O-N 2.97Å; N343-A345 VanDerWaalsContact C-N 3.31Å; N343-A345 PolarHBondContact O-N 3.45Å |
| 346 | A | 94.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 55% | 0.554 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -88.5 | -11.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | M305 K342 N343 F344 P348 | M305-A346 HydrophobicContact CE-CB 3.93Å; K342-A346 WeakPolarHBondContact O-CB 3.24Å; K342-A346 PolarHBondContact O-N 3.33Å; N343-A346 PolarHBondContact O-N 2.88Å; F344-A346 VanDerWaalsContact C-N 3.27Å; F344-A346 PolarHBondContact O-N 3.11Å; A346-P348 WeakPolarHBondContact O-CD 3.45Å |
| 347 | D | 93.9 | Very high | 93.7 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.16 | 30% | 0.303 | C | S | . | . | trans | -80.5 | 116 | -176.3 | -169.3 | -26.6 | 0 | 0 | 0 | 111.5 | N343 F344 R349 Y350 | N343-D347 PolarHBondContact O-N 3.1Å; F344-D347 PolarHBondContact O-N 3.14Å; D347-R349 PolarHBondContact O-N 2.99Å; D347-R349 VanDerWaalsContact OD1-CB 3.23Å; D347-R349 WeakPolarHBondContact OD1-CB 3.18Å; D347-R349 VanDerWaalsContact OD1-CG 3.24Å; D347-R349 WeakPolarHBondContact OD1-CG 3.18Å; D347-R349 PolarHBondContact OD1-N 2.99Å; D347-R349 IonicContact OD1-NE 3.32Å; D347-R349 PolarHBondContact OD1-NE 3.26Å; D347-R349 IonicContact OD2-CZ 2.97Å; D347-R349 IonicContact OD2-NE 3.05Å; D347-R349 PolarHBondContact OD2-NE 3.07Å; D347-R349 IonicContact OD2-NH2 3.2Å; D347-R349 PolarHBondContact OD2-NH2 2.68Å; D347-Y350 HydrophobicContact CB-CD2 3.87Å; D347-Y350 HydrophobicContact CB-CE2 4.08Å; D347-Y350 PolarHBondContact O-N 3.13Å; D347-Y350 WeakPolarHBondContact OD2-CE2 3.36Å | ||
| 348 | P | 89.3 | Confident | 93.5 | Very high | 99 Ų | 99 | 57 Ų | 57 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -67.7 | -16.9 | -177.7 | 28.8 | -35.6 | 0 | 0 | 0 | 113.3 | A346 Y350 E351 | A346-P348 WeakPolarHBondContact O-CD 3.45Å; P348-Y350 PolarHBondContact O-N 2.75Å; P348-E351 WeakPolarHBondContact O-CB 3.47Å; P348-E351 PolarHBondContact O-N 3.1Å |
| 349 | R | 91.1 | Very high | 93.4 | Very high | 180 Ų | 180 | 56.7 Ų | 56.7 | 68% | 0.679 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -64.5 | -24.7 | -179.5 | -63.9 | 178.3 | -66.8 | 172.4 | 0.6 | 113.1 | D347 | D347-R349 PolarHBondContact O-N 2.99Å; D347-R349 VanDerWaalsContact OD1-CB 3.23Å; D347-R349 WeakPolarHBondContact OD1-CB 3.18Å; D347-R349 VanDerWaalsContact OD1-CG 3.24Å; D347-R349 WeakPolarHBondContact OD1-CG 3.18Å; D347-R349 PolarHBondContact OD1-N 2.99Å; D347-R349 IonicContact OD1-NE 3.32Å; D347-R349 PolarHBondContact OD1-NE 3.26Å; D347-R349 IonicContact OD2-CZ 2.97Å; D347-R349 IonicContact OD2-NE 3.05Å; D347-R349 PolarHBondContact OD2-NE 3.07Å; D347-R349 IonicContact OD2-NH2 3.2Å; D347-R349 PolarHBondContact OD2-NH2 2.68Å |
| 350 | Y | 90.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -108.3 | 18.5 | -178.6 | -43.9 | -67.2 | 0 | 0 | 0 | 112.3 | P231 M304 D347 P348 | P231-Y350 HydrophobicContact CG-CD1 3.92Å; P231-Y350 HydrophobicContact CG-CD2 3.54Å; P231-Y350 HydrophobicContact CG-CE1 3.91Å; P231-Y350 HydrophobicContact CG-CE2 3.56Å; P231-Y350 HydrophobicContact CG-CG 3.73Å; M304-Y350 WeakPolarHBondContact CE-O 3.37Å; D347-Y350 HydrophobicContact CB-CD2 3.87Å; D347-Y350 HydrophobicContact CB-CE2 4.08Å; D347-Y350 PolarHBondContact O-N 3.13Å; D347-Y350 WeakPolarHBondContact OD2-CE2 3.36Å; P348-Y350 PolarHBondContact O-N 2.75Å |
| 351 | E | 86.6 | Confident | 93.1 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | trans | -59.5 | 149.7 | -179.6 | -171.6 | 163.7 | -156.2 | 0 | 0 | 112 | P348 P353 | P348-E351 WeakPolarHBondContact O-CB 3.47Å; P348-E351 PolarHBondContact O-N 3.1Å; E351-P353 WeakPolarHBondContact O-CD 3.42Å | ||
| 352 | N | 90.3 | Very high | 93 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | trans | -71.6 | 118.4 | -176.9 | -165.5 | -26.3 | 0 | 0 | 0 | 111.1 | R227 N299 D300 L302 K354 M355 | R227-N352 VanDerWaalsContact NH2-CB 3.31Å; R227-N352 PolarHBondContact NH2-ND2 2.92Å; N299-N352 PolarHBondContact O-ND2 2.87Å; N299-N352 VanDerWaalsContact O-ND2 3.08Å; D300-N352 PolarHBondContact O-ND2 3.48Å; L302-N352 VanDerWaalsContact O-CB 3.3Å; L302-N352 WeakPolarHBondContact O-CB 3.29Å; L302-N352 PolarHBondContact O-ND2 3.49Å; N352-K354 PolarHBondContact O-N 3.48Å; N352-K354 VanDerWaalsContact O-N 3.15Å; N352-K354 WeakPolarHBondContact OD1-CB 3.36Å; N352-K354 PolarHBondContact OD1-N 3.22Å; N352-M355 HydrophobicContact CB-CB 4.46Å; N352-M355 HydrophobicContact CB-CG 3.89Å; N352-M355 WeakPolarHBondContact O-CB 3.36Å; N352-M355 PolarHBondContact O-N 3.35Å | ||
| 353 | P | 91.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 26% | 0.26 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -24.9 | 179.6 | 26.2 | -35 | 0 | 0 | 0 | 112.6 | V224 E225 R227 E351 M355 A356 K357 | V224-P353 HydrophobicContact CB-CB 4.16Å; V224-P353 HydrophobicContact CB-CG 4.49Å; V224-P353 HydrophobicContact CG2-CB 4.38Å; V224-P353 HydrophobicContact CG2-CG 4.26Å; E225-P353 VanDerWaalsContact O-CG 3.28Å; E225-P353 WeakPolarHBondContact O-CG 3.41Å; R227-P353 HydrophobicContact CG-CG 4.41Å; E351-P353 WeakPolarHBondContact O-CD 3.42Å; P353-M355 PolarHBondContact O-N 3.33Å; P353-A356 PolarHBondContact O-N 3.48Å; P353-K357 WeakPolarHBondContact O-CB 3.31Å; P353-K357 PolarHBondContact O-N 3.23Å |
| 354 | K | 91.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 172.4 | -62.6 | -178.6 | -169.7 | 173.4 | 0 | 111.4 | V224 D300 N352 L358 Y458 V484 E491 | V224-K354 HydrophobicContact CG2-CB 4.49Å; V224-K354 HydrophobicContact CG2-CG 3.63Å; D300-K354 PolarHBondContact O-NZ 3.31Å; D300-K354 IonicContact OD1-NZ 3.96Å; D300-K354 IonicContact OD2-NZ 2.75Å; D300-K354 PolarHBondContact OD2-NZ 3.01Å; N352-K354 PolarHBondContact O-N 3.48Å; N352-K354 VanDerWaalsContact O-N 3.15Å; N352-K354 WeakPolarHBondContact OD1-CB 3.36Å; N352-K354 PolarHBondContact OD1-N 3.22Å; K354-L358 WeakPolarHBondContact O-CB 3.44Å; K354-L358 PolarHBondContact O-N 3.46Å; K354-Y458 VanDerWaalsContact C-OH 3.28Å; K354-Y458 HydrophobicContact CB-CE2 4.02Å; K354-Y458 VanDerWaalsContact CB-OH 3.28Å; K354-Y458 WeakPolarHBondContact CB-OH 3.27Å; K354-Y458 WeakPolarHBondContact O-CE2 3.06Å; K354-Y458 PolarHBondContact O-OH 3.32Å; K354-V484 HydrophobicContact CB-CG1 4.3Å; K354-E491 IonicContact NZ-OE1 2.68Å; K354-E491 PolarHBondContact NZ-OE1 3.38Å |
| 355 | M | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.9 | -45.6 | 179.5 | -66.1 | -66.6 | -59.9 | 0 | 0 | 111.3 | L302 R303 N352 P353 K357 L358 E359 L387 W390 Y458 | L302-M355 HydrophobicContact CD2-SD 4.15Å; R303-M355 HydrophobicContact CG-CE 3.98Å; R303-M355 HydrophobicContact CG-CG 4.34Å; N352-M355 HydrophobicContact CB-CB 4.46Å; N352-M355 HydrophobicContact CB-CG 3.89Å; N352-M355 WeakPolarHBondContact O-CB 3.36Å; N352-M355 PolarHBondContact O-N 3.35Å; P353-M355 PolarHBondContact O-N 3.33Å; M355-K357 VanDerWaalsContact C-N 3.29Å; M355-K357 PolarHBondContact O-N 3.38Å; M355-L358 PolarHBondContact O-N 3.29Å; M355-E359 PolarHBondContact O-N 2.96Å; M355-L387 HydrophobicContact CE-CD2 4.41Å; M355-L387 HydrophobicContact SD-CD2 4.39Å; M355-W390 HydrophobicContact CE-CB 4.06Å; M355-W390 HydrophobicContact CE-CD2 3.25Å; M355-W390 VanDerWaalsContact CE-CE2 3.42Å; M355-W390 HydrophobicContact CE-CE3 3.81Å; M355-W390 HydrophobicContact CE-CG 3.33Å; M355-W390 HydrophobicContact CE-CZ2 4.07Å; M355-W390 HydrophobicContact CE-CZ3 4.42Å; M355-Y458 PolarHBondContact N-OH 2.92Å; M355-Y458 HydrophobicContact SD-CE1 4.46Å; M355-Y458 PolarHBondContact SD-OH 3.33Å |
| 356 | A | 91.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P353 E359 S360 | P353-A356 PolarHBondContact O-N 3.48Å; A356-E359 WeakPolarHBondContact O-CB 3.41Å; A356-E359 PolarHBondContact O-N 3.02Å; A356-S360 PolarHBondContact O-N 3.2Å |
| 357 | K | 93.5 | Very high | 91.8 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 176 | -173.5 | 63.3 | -174.9 | 161.7 | 0 | 112 | D222 V224 P353 M355 E359 S360 T361 V484 | D222-K357 HydrophobicContact CB-CD 4.3Å; D222-K357 HydrophobicContact CB-CG 3.95Å; D222-K357 WeakPolarHBondContact OD1-CE 3.5Å; D222-K357 IonicContact OD1-NZ 3.21Å; D222-K357 PolarHBondContact OD1-NZ 3.07Å; V224-K357 HydrophobicContact CG1-CB 3.38Å; V224-K357 HydrophobicContact CG1-CD 4.43Å; V224-K357 HydrophobicContact CG1-CG 3.69Å; P353-K357 WeakPolarHBondContact O-CB 3.31Å; P353-K357 PolarHBondContact O-N 3.23Å; M355-K357 VanDerWaalsContact C-N 3.29Å; M355-K357 PolarHBondContact O-N 3.38Å; K357-E359 VanDerWaalsContact C-N 3.3Å; K357-E359 PolarHBondContact O-N 2.93Å; K357-S360 PolarHBondContact O-N 2.98Å; K357-S360 VanDerWaalsContact O-N 3.17Å; K357-S360 PolarHBondContact O-OG 3.25Å; K357-T361 PolarHBondContact O-N 3.44Å; K357-T361 PolarHBondContact O-OG1 3.32Å; K357-V484 HydrophobicContact CB-CG1 4.31Å; K357-V484 HydrophobicContact CG-CG1 4.24Å |
| 358 | L | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 173.3 | 176.2 | 62.5 | 0 | 0 | 0 | 111.8 | K354 M355 S360 T361 L362 L376 L387 W390 V456 Y458 | K354-L358 WeakPolarHBondContact O-CB 3.44Å; K354-L358 PolarHBondContact O-N 3.46Å; M355-L358 PolarHBondContact O-N 3.29Å; L358-S360 PolarHBondContact O-N 3.06Å; L358-T361 PolarHBondContact O-N 3.46Å; L358-L362 HydrophobicContact CD1-CD1 4.35Å; L358-L362 HydrophobicContact CD1-CG 4.27Å; L358-L362 HydrophobicContact CG-CD1 4.28Å; L358-L362 WeakPolarHBondContact O-CG 3.42Å; L358-L362 PolarHBondContact O-N 2.85Å; L358-L376 HydrophobicContact CD1-CD1 3.77Å; L358-L376 HydrophobicContact CD1-CD2 4.33Å; L358-L376 HydrophobicContact CD2-CD1 4.34Å; L358-L376 HydrophobicContact CD2-CD2 3.99Å; L358-L387 HydrophobicContact CD2-CD2 3.87Å; L358-W390 HydrophobicContact CB-CH2 4.4Å; L358-W390 HydrophobicContact CD2-CE3 4.45Å; L358-W390 HydrophobicContact CD2-CH2 3.99Å; L358-W390 HydrophobicContact CD2-CZ3 3.65Å; L358-W390 HydrophobicContact CG-CH2 3.93Å; L358-W390 HydrophobicContact CG-CZ3 4.01Å; L358-V456 HydrophobicContact CD1-CG1 3.77Å; L358-Y458 HydrophobicContact CB-CD2 4.2Å; L358-Y458 HydrophobicContact CB-CE2 3.76Å; L358-Y458 HydrophobicContact CD1-CD2 4.2Å; L358-Y458 HydrophobicContact CD2-CD2 3.91Å; L358-Y458 HydrophobicContact CD2-CE2 3.8Å; L358-Y458 HydrophobicContact CD2-CG 4.36Å; L358-Y458 HydrophobicContact CG-CD2 4.33Å; L358-Y458 HydrophobicContact CG-CE2 4.25Å |
| 359 | E | 95.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.4 | -50.5 | 173.7 | -172.6 | 167.5 | -179.5 | 0 | 0 | 111.3 | M355 A356 K357 T361 L362 L363 W390 N394 T396 L397 | M355-E359 PolarHBondContact O-N 2.96Å; A356-E359 WeakPolarHBondContact O-CB 3.41Å; A356-E359 PolarHBondContact O-N 3.02Å; K357-E359 VanDerWaalsContact C-N 3.3Å; K357-E359 PolarHBondContact O-N 2.93Å; E359-T361 VanDerWaalsContact C-N 3.32Å; E359-T361 PolarHBondContact O-N 3.34Å; E359-L362 PolarHBondContact O-N 3.04Å; E359-L363 HydrophobicContact CG-CD1 3.81Å; E359-L363 HydrophobicContact CG-CG 4.38Å; E359-L363 WeakPolarHBondContact O-CB 3.49Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.47Å; E359-L363 PolarHBondContact O-N 3.17Å; E359-W390 HydrophobicContact CB-CH2 4.16Å; E359-W390 HydrophobicContact CB-CZ2 3.92Å; E359-W390 HydrophobicContact CG-CZ2 4.48Å; E359-N394 PolarHBondContact OE1-ND2 2.97Å; E359-N394 PolarHBondContact OE1-OD1 2.73Å; E359-N394 PolarHBondContact OE2-ND2 3.41Å; E359-N394 VanDerWaalsContact OE2-ND2 3.08Å; E359-T396 WeakPolarHBondContact OE1-CB 3.18Å; E359-T396 PolarHBondContact OE1-OG1 3.12Å; E359-L397 HydrophobicContact CG-CD2 4.1Å; E359-L397 HydrophobicContact CG-CG 4.43Å |
| 360 | S | 94.1 | Very high | 90.2 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 178.9 | 74.2 | 0 | 0 | 0 | 0 | 113 | A356 K357 L358 L363 G364 | A356-S360 PolarHBondContact O-N 3.2Å; K357-S360 PolarHBondContact O-N 2.98Å; K357-S360 VanDerWaalsContact O-N 3.17Å; K357-S360 PolarHBondContact O-OG 3.25Å; L358-S360 PolarHBondContact O-N 3.06Å; S360-L363 PolarHBondContact O-N 2.83Å; S360-G364 PolarHBondContact O-N 3.11Å |
| 361 | T | 93.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 177 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | K357 L358 E359 G364 L454 V456 | K357-T361 PolarHBondContact O-N 3.44Å; K357-T361 PolarHBondContact O-OG1 3.32Å; L358-T361 PolarHBondContact O-N 3.46Å; E359-T361 VanDerWaalsContact C-N 3.32Å; E359-T361 PolarHBondContact O-N 3.34Å; T361-G364 PolarHBondContact O-N 3.39Å; T361-L454 HydrophobicContact CG2-CD1 4.42Å; T361-V456 HydrophobicContact CG2-CG2 3.97Å |
| 362 | L | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 175.3 | -68.2 | 174.1 | 0 | 0 | 0 | 110.7 | L358 E359 G364 Q365 F366 W390 L397 I402 L436 L454 | L358-L362 HydrophobicContact CD1-CD1 4.35Å; L358-L362 HydrophobicContact CD1-CG 4.27Å; L358-L362 HydrophobicContact CG-CD1 4.28Å; L358-L362 WeakPolarHBondContact O-CG 3.42Å; L358-L362 PolarHBondContact O-N 2.85Å; E359-L362 PolarHBondContact O-N 3.04Å; L362-G364 PolarHBondContact O-N 2.91Å; L362-Q365 PolarHBondContact O-N 3.43Å; L362-Q365 VanDerWaalsContact O-N 3.08Å; L362-F366 HydrophobicContact CB-CD2 4.42Å; L362-F366 HydrophobicContact CD2-CD2 4.31Å; L362-F366 HydrophobicContact CD2-CE2 3.98Å; L362-F366 WeakPolarHBondContact O-CB 3.43Å; L362-F366 VanDerWaalsContact O-CD2 3.28Å; L362-F366 WeakPolarHBondContact O-CD2 3.21Å; L362-F366 PolarHBondContact O-N 3.38Å; L362-W390 HydrophobicContact CD1-CH2 4.16Å; L362-W390 HydrophobicContact CD1-CZ3 4.02Å; L362-L397 HydrophobicContact CB-CD2 3.93Å; L362-L397 HydrophobicContact CD1-CD1 4.16Å; L362-L397 HydrophobicContact CD1-CD2 4.19Å; L362-I402 HydrophobicContact CB-CD1 4.12Å; L362-L436 HydrophobicContact CD1-CD2 4.3Å; L362-L436 HydrophobicContact CD2-CD1 4.07Å; L362-L436 HydrophobicContact CD2-CD2 4.22Å; L362-L454 HydrophobicContact CD2-CD2 4.04Å |
| 363 | L | 93.7 | Very high | 90.1 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -23.8 | 179.7 | -66.8 | 173.2 | 0 | 0 | 0 | 113.6 | E359 S360 Q365 F366 T396 L397 A400 | E359-L363 HydrophobicContact CG-CD1 3.81Å; E359-L363 HydrophobicContact CG-CG 4.38Å; E359-L363 WeakPolarHBondContact O-CB 3.49Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.47Å; E359-L363 PolarHBondContact O-N 3.17Å; S360-L363 PolarHBondContact O-N 2.83Å; L363-Q365 VanDerWaalsContact C-N 3.28Å; L363-Q365 PolarHBondContact O-N 2.99Å; L363-F366 VanDerWaalsContact O-O 3.14Å; L363-T396 HydrophobicContact CD1-CG2 3.56Å; L363-T396 HydrophobicContact CD2-CG2 3.98Å; L363-T396 HydrophobicContact CG-CG2 4.43Å; L363-L397 HydrophobicContact CD2-CD2 3.9Å; L363-L397 HydrophobicContact CG-CD2 3.94Å; L363-A400 HydrophobicContact CD2-CB 3.62Å |
| 364 | G | 90.7 | Very high | 90.2 | Very high | 61 Ų | 61 | 47 Ų | 47 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.4 | -24.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S360 T361 L362 | S360-G364 PolarHBondContact O-N 3.11Å; T361-G364 PolarHBondContact O-N 3.39Å; L362-G364 PolarHBondContact O-N 2.91Å |
| 365 | Q | 89.6 | Confident | 90.4 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -109.9 | -29 | -179.4 | -69.5 | -66.4 | -20.6 | 0 | 0 | 112.9 | L362 L363 S372 L454 | L362-Q365 PolarHBondContact O-N 3.43Å; L362-Q365 VanDerWaalsContact O-N 3.08Å; L363-Q365 VanDerWaalsContact C-N 3.28Å; L363-Q365 PolarHBondContact O-N 2.99Å; Q365-S372 VanDerWaalsContact O-CB 3.25Å; Q365-S372 WeakPolarHBondContact O-CB 3.5Å; Q365-S372 PolarHBondContact O-OG 3.29Å; Q365-L454 HydrophobicContact CB-CB 4.43Å; Q365-L454 HydrophobicContact CB-CD2 3.98Å; Q365-L454 HydrophobicContact CG-CB 4.27Å; Q365-L454 HydrophobicContact CG-CD1 4.11Å; Q365-L454 HydrophobicContact CG-CD2 4.04Å; Q365-L454 HydrophobicContact CG-CG 4.34Å |
| 366 | F | 91.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | trans | -99.5 | 135.1 | 179.8 | -70.3 | -89.8 | 0 | 0 | 0 | 111.2 | L362 L363 A400 I402 N435 L436 L454 | L362-F366 HydrophobicContact CB-CD2 4.42Å; L362-F366 HydrophobicContact CD2-CD2 4.31Å; L362-F366 HydrophobicContact CD2-CE2 3.98Å; L362-F366 WeakPolarHBondContact O-CB 3.43Å; L362-F366 VanDerWaalsContact O-CD2 3.28Å; L362-F366 WeakPolarHBondContact O-CD2 3.21Å; L362-F366 PolarHBondContact O-N 3.38Å; L363-F366 VanDerWaalsContact O-O 3.14Å; F366-A400 HydrophobicContact CB-CB 4.39Å; F366-I402 HydrophobicContact CB-CD1 3.89Å; F366-I402 HydrophobicContact CB-CG1 3.8Å; F366-I402 HydrophobicContact CD1-CD1 4.4Å; F366-I402 HydrophobicContact CD1-CG1 3.85Å; F366-I402 HydrophobicContact CD2-CD1 3.94Å; F366-I402 HydrophobicContact CD2-CG1 4.29Å; F366-I402 HydrophobicContact CE1-CG1 4.48Å; F366-I402 HydrophobicContact CG-CD1 3.83Å; F366-I402 HydrophobicContact CG-CG1 3.73Å; F366-N435 HydrophobicContact CE1-CB 4.06Å; F366-N435 VanDerWaalsContact CE1-O 3.29Å; F366-N435 WeakPolarHBondContact CE1-O 3.44Å; F366-N435 VanDerWaalsContact CZ-O 3.25Å; F366-N435 WeakPolarHBondContact CZ-O 3.3Å; F366-L436 HydrophobicContact CE2-CD1 4.4Å; F366-L436 HydrophobicContact CZ-CB 4.3Å; F366-L436 HydrophobicContact CZ-CD1 4.29Å; F366-L454 HydrophobicContact CE2-CD2 4.02Å | ||
| 367 | G | 87.4 | Confident | 90.6 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -152.1 | 164.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | D369 V370 A400 | G367-D369 PolarHBondContact O-N 3.44Å; G367-D369 VanDerWaalsContact O-N 3.11Å; G367-V370 PolarHBondContact O-N 2.99Å; G367-A400 CarbonylContact C-O 3.53Å |
| 368 | P | 79.4 | Confident | 90.4 | Very high | 105 Ų | 105 | 41.3 Ų | 41.3 | 68% | 0.682 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.8 | -174.7 | -26.1 | 33.8 | 0 | 0 | 0 | 114.1 | ||
| 369 | D | 79.8 | Confident | 89.9 | Confident | 161 Ų | 161 | 47.3 Ų | 47.3 | 86% | 0.861 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 10.6 | -177.6 | -55.8 | -55.1 | 0 | 0 | 0 | 113.1 | G367 | G367-D369 PolarHBondContact O-N 3.44Å; G367-D369 VanDerWaalsContact O-N 3.11Å |
| 370 | V | 82.1 | Confident | 89.4 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -101.9 | 116.8 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | G367 S372 | G367-V370 PolarHBondContact O-N 2.99Å; V370-S372 VanDerWaalsContact CG1-OG 3.3Å; V370-S372 WeakPolarHBondContact CG1-OG 3.38Å; V370-S372 PolarHBondContact O-N 3.08Å |
| 371 | Q | 83.6 | Confident | 89 | Confident | 183 Ų | 183 | 48.3 Ų | 48.3 | 86% | 0.855 | 26% | 0.262 | S | S | * | . | trans | -78.1 | 67.5 | 174.5 | -66.3 | -164.8 | 2.1 | 0 | 0 | 111.7 | ||||
| 372 | S | 89.1 | Confident | 88.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | trans | -88.8 | 149.1 | 176.8 | -75.9 | 0 | 0 | 0 | 0 | 112.3 | Q365 V370 N435 N453 | Q365-S372 VanDerWaalsContact O-CB 3.25Å; Q365-S372 WeakPolarHBondContact O-CB 3.5Å; Q365-S372 PolarHBondContact O-OG 3.29Å; V370-S372 VanDerWaalsContact CG1-OG 3.3Å; V370-S372 WeakPolarHBondContact CG1-OG 3.38Å; V370-S372 PolarHBondContact O-N 3.08Å; S372-N435 WeakPolarHBondContact O-CB 3.21Å; S372-N453 PolarHBondContact OG-ND2 3.48Å | ||
| 373 | R | 92.1 | Very high | 88.4 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | trans | -134.6 | 117.1 | 173 | -62 | -171.8 | -151.4 | -156.4 | 13.1 | 109.4 | F429 R430 N435 E451 C452 N453 L454 | R373-F429 HydrophobicContact CB-CE1 4.3Å; R373-F429 HydrophobicContact CB-CZ 3.84Å; R373-F429 PolarHBondContact NH1-O 3.47Å; R373-R430 VanDerWaalsContact NH1-C 3.3Å; R373-R430 PolarHBondContact NH1-O 3.42Å; R373-N435 WeakPolarHBondContact CA-O 3.41Å; R373-E451 IonicContact NH2-OE1 3.4Å; R373-C452 WeakPolarHBondContact O-CA 3.24Å; R373-C452 PolarHBondContact O-SG 3.05Å; R373-N453 PolarHBondContact N-OD1 2.8Å; R373-N453 PolarHBondContact O-N 3.11Å; R373-N453 PolarHBondContact O-OD1 3.42Å; R373-L454 PolarHBondContact O-N 2.86Å | ||
| 374 | G | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F429 N435 L436 L437 L454 | G374-F429 WeakPolarHBondContact O-CZ 3.42Å; G374-N435 PolarHBondContact N-O 3.38Å; G374-L436 WeakPolarHBondContact O-CA 3.26Å; G374-L437 PolarHBondContact O-N 3.42Å; G374-L454 CarbonylContact C-O 3.57Å; G374-L454 VanDerWaalsContact CA-O 3.24Å; G374-L454 WeakPolarHBondContact CA-O 3Å |
| 375 | I | 95 | Very high | 88.3 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.2 | 165.2 | -53.7 | 177.3 | 0 | 0 | 0 | 108.9 | F377 F429 L437 L447 I449 L454 V455 V456 R473 | I375-F377 HydrophobicContact CB-CE2 4.2Å; I375-F377 HydrophobicContact CG2-CD1 4.28Å; I375-F377 HydrophobicContact CG2-CD2 3.91Å; I375-F377 HydrophobicContact CG2-CE1 3.94Å; I375-F377 HydrophobicContact CG2-CE2 3.53Å; I375-F377 HydrophobicContact CG2-CG 4.27Å; I375-F377 HydrophobicContact CG2-CZ 3.55Å; I375-F429 HydrophobicContact CG1-CZ 4.45Å; I375-L437 CarbonylContact C-O 3.57Å; I375-L437 WeakPolarHBondContact CA-O 3.22Å; I375-L437 HydrophobicContact CG1-CB 4.39Å; I375-L437 HydrophobicContact CG2-CB 4.43Å; I375-L447 HydrophobicContact CD1-CD2 4.43Å; I375-I449 HydrophobicContact CD1-CD1 4.37Å; I375-L454 PolarHBondContact N-O 3.36Å; I375-V455 CarbonylContact O-C 3.52Å; I375-V455 WeakPolarHBondContact O-CA 3.25Å; I375-V456 PolarHBondContact O-N 2.84Å; I375-R473 HydrophobicContact CD1-CB 3.96Å; I375-R473 HydrophobicContact CD1-CG 4.36Å |
| 376 | L | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 106.5 | 173.2 | 173.7 | 58.5 | 0 | 0 | 0 | 109.1 | L358 L387 L436 L437 I438 S439 V456 Y458 | L358-L376 HydrophobicContact CD1-CD1 3.77Å; L358-L376 HydrophobicContact CD1-CD2 4.33Å; L358-L376 HydrophobicContact CD2-CD1 4.34Å; L358-L376 HydrophobicContact CD2-CD2 3.99Å; L376-L387 HydrophobicContact CD2-CB 4.48Å; L376-L387 HydrophobicContact CD2-CD1 4.01Å; L376-L387 HydrophobicContact CD2-CD2 4.3Å; L376-L387 HydrophobicContact CG-CD1 4.34Å; L376-L436 HydrophobicContact CB-CD1 4.21Å; L376-L437 PolarHBondContact N-O 2.92Å; L376-I438 HydrophobicContact CB-CG1 4.48Å; L376-I438 HydrophobicContact CD2-CG1 4.33Å; L376-I438 HydrophobicContact CD2-CG2 4.4Å; L376-I438 CarbonylContact O-C 3.49Å; L376-I438 WeakPolarHBondContact O-CA 3.37Å; L376-S439 PolarHBondContact O-N 3.15Å; L376-V456 HydrophobicContact CD1-CB 3.79Å; L376-V456 HydrophobicContact CD1-CG1 3.79Å; L376-Y458 HydrophobicContact CD1-CG 4.35Å |
| 377 | F | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.1 | 177.2 | -70.3 | -75.6 | 0 | 0 | 0 | 111.7 | I375 S439 T440 A443 E444 V455 V456 Y458 L460 A470 | I375-F377 HydrophobicContact CB-CE2 4.2Å; I375-F377 HydrophobicContact CG2-CD1 4.28Å; I375-F377 HydrophobicContact CG2-CD2 3.91Å; I375-F377 HydrophobicContact CG2-CE1 3.94Å; I375-F377 HydrophobicContact CG2-CE2 3.53Å; I375-F377 HydrophobicContact CG2-CG 4.27Å; I375-F377 HydrophobicContact CG2-CZ 3.55Å; F377-S439 CarbonylContact C-O 3.6Å; F377-S439 VanDerWaalsContact CA-O 3.3Å; F377-S439 WeakPolarHBondContact CA-O 3.44Å; F377-T440 WeakPolarHBondContact CD1-O 3.36Å; F377-A443 HydrophobicContact CE1-CB 3.78Å; F377-A443 HydrophobicContact CZ-CB 4.11Å; F377-E444 HydrophobicContact CD1-CG 3.87Å; F377-E444 HydrophobicContact CE1-CB 4.3Å; F377-E444 HydrophobicContact CE1-CG 3.51Å; F377-E444 HydrophobicContact CZ-CB 4.44Å; F377-E444 HydrophobicContact CZ-CG 3.89Å; F377-V455 HydrophobicContact CD2-CG1 3.87Å; F377-V455 HydrophobicContact CE2-CG1 3.86Å; F377-V456 PolarHBondContact N-O 3.38Å; F377-Y458 PolarHBondContact O-N 2.94Å; F377-L460 HydrophobicContact CB-CD1 3.44Å; F377-L460 VanDerWaalsContact CB-CD1 3.44Å; F377-A470 HydrophobicContact CD2-CB 4.21Å; F377-A470 HydrophobicContact CE2-CB 3.88Å; F377-A470 HydrophobicContact CZ-CB 4.46Å |
| 378 | S | 89.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -134.1 | 153.5 | 174.9 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | S383 S439 T440 | S378-S383 WeakPolarHBondContact OG-CB 3.46Å; S378-S439 PolarHBondContact N-O 2.82Å; S378-T440 WeakPolarHBondContact O-CA 3.19Å | ||
| 379 | R | 83.4 | Confident | 89.6 | Confident | 127 Ų | 127 | 46.7 Ų | 46.7 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -69.1 | -43.3 | -168 | -173.5 | 179.6 | 177.9 | -157.8 | 0 | 113.2 | Q261 L460 | Q261-R379 VanDerWaalsContact NE2-CZ 3.32Å; R379-L460 HydrophobicContact CB-CD2 3.81Å; R379-L460 VanDerWaalsContact N-CD2 3.34Å |
| 380 | T | 84.9 | Confident | 90.3 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 34% | 0.337 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -119 | 151.4 | -168.5 | 83.1 | 0 | 0 | 0 | 0 | 111.6 | R382 S383 T384 | T380-R382 PolarHBondContact O-N 2.9Å; T380-R382 PolarHBondContact OG1-N 3.42Å; T380-S383 WeakPolarHBondContact O-CB 3.21Å; T380-S383 PolarHBondContact O-N 2.88Å; T380-S383 VanDerWaalsContact O-N 3.11Å; T380-S383 WeakPolarHBondContact OG1-CB 3.43Å; T380-S383 PolarHBondContact OG1-N 3.05Å; T380-S383 PolarHBondContact OG1-OG 3.44Å; T380-T384 PolarHBondContact O-N 3.28Å |
| 381 | R | 85.7 | Confident | 90.9 | Very high | 67 Ų | 67 | 36 Ų | 36 | 25% | 0.253 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.3 | -37.7 | 174.1 | -60.7 | -177.5 | -178.5 | 161.2 | -6 | 111.7 | T384 R385 T408 G409 T440 | R381-T384 PolarHBondContact O-N 3.2Å; R381-T384 PolarHBondContact O-OG1 3.37Å; R381-R385 PolarHBondContact O-N 2.76Å; R381-T408 HydrophobicContact CB-CG2 4.24Å; R381-T408 HydrophobicContact CG-CG2 3.92Å; R381-G409 PolarHBondContact NH2-O 3.33Å; R381-T440 HydrophobicContact CG-CG2 4.33Å |
| 382 | R | 85.6 | Confident | 91.4 | Very high | 72 Ų | 72 | 32.4 Ų | 32.4 | 27% | 0.272 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 174.5 | -172.5 | -177 | -174.9 | 106.6 | 37.7 | 110.8 | S310 E313 T380 T384 R385 C386 | S310-R382 PolarHBondContact OG-NE 2.93Å; S310-R382 PolarHBondContact OG-NH1 2.82Å; E313-R382 IonicContact OE1-NH2 3.53Å; E313-R382 IonicContact OE2-CZ 3.38Å; E313-R382 IonicContact OE2-NH1 3.58Å; E313-R382 IonicContact OE2-NH2 2.81Å; E313-R382 PolarHBondContact OE2-NH2 2.97Å; T380-R382 PolarHBondContact O-N 2.9Å; T380-R382 PolarHBondContact OG1-N 3.42Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 3.12Å; R382-R385 WeakPolarHBondContact O-CB 3.43Å; R382-R385 PolarHBondContact O-N 3.47Å; R382-C386 PolarHBondContact O-N 2.96Å; R382-C386 PolarHBondContact O-SG 3.03Å |
| 383 | S | 89.3 | Confident | 91.6 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | S378 T380 R385 C386 L387 | S378-S383 WeakPolarHBondContact OG-CB 3.46Å; T380-S383 WeakPolarHBondContact O-CB 3.21Å; T380-S383 PolarHBondContact O-N 2.88Å; T380-S383 VanDerWaalsContact O-N 3.11Å; T380-S383 WeakPolarHBondContact OG1-CB 3.43Å; T380-S383 PolarHBondContact OG1-N 3.05Å; T380-S383 PolarHBondContact OG1-OG 3.44Å; S383-R385 VanDerWaalsContact C-N 3.28Å; S383-R385 PolarHBondContact O-N 2.66Å; S383-C386 PolarHBondContact O-N 3.5Å; S383-L387 WeakPolarHBondContact O-CB 3.24Å; S383-L387 VanDerWaalsContact O-CG 3.3Å; S383-L387 WeakPolarHBondContact O-CG 3.43Å; S383-L387 PolarHBondContact O-N 3.4Å |
| 384 | T | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | 175.7 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | T380 R381 R382 L388 T408 I438 T440 | T380-T384 PolarHBondContact O-N 3.28Å; R381-T384 PolarHBondContact O-N 3.2Å; R381-T384 PolarHBondContact O-OG1 3.37Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 3.12Å; T384-L388 WeakPolarHBondContact O-CB 3.36Å; T384-L388 PolarHBondContact O-N 2.78Å; T384-T408 HydrophobicContact CG2-CG2 4.45Å; T384-I438 HydrophobicContact CG2-CG2 4.07Å; T384-T440 HydrophobicContact CG2-CG2 3.9Å |
| 385 | R | 90.6 | Very high | 91.7 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.4 | -44.2 | 176.1 | -68.1 | 171.2 | 170.4 | -156.8 | -12.8 | 112.8 | R381 R382 S383 L387 L388 D389 I406 I414 T415 | R381-R385 PolarHBondContact O-N 2.76Å; R382-R385 WeakPolarHBondContact O-CB 3.43Å; R382-R385 PolarHBondContact O-N 3.47Å; S383-R385 VanDerWaalsContact C-N 3.28Å; S383-R385 PolarHBondContact O-N 2.66Å; R385-L387 VanDerWaalsContact C-N 3.29Å; R385-L387 PolarHBondContact O-N 3.37Å; R385-L388 PolarHBondContact O-N 3.18Å; R385-D389 WeakPolarHBondContact O-CB 3.27Å; R385-D389 PolarHBondContact O-N 3.44Å; R385-I406 HydrophobicContact CB-CD1 4.16Å; R385-I406 HydrophobicContact CG-CD1 3.58Å; R385-I414 PolarHBondContact NH2-O 3.03Å; R385-I414 VanDerWaalsContact NH2-O 3.1Å; R385-T415 VanDerWaalsContact NH2-CB 3.28Å |
| 386 | C | 91.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 174.5 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | L302 R303 D306 R382 S383 D389 W390 | L302-C386 HydrophobicContact CD1-CB 3.69Å; R303-C386 PolarHBondContact NH2-O 2.76Å; D306-C386 HydrophobicContact CB-CB 4.07Å; R382-C386 PolarHBondContact O-N 2.96Å; R382-C386 PolarHBondContact O-SG 3.03Å; S383-C386 PolarHBondContact O-N 3.5Å; C386-D389 PolarHBondContact O-N 2.96Å; C386-W390 WeakPolarHBondContact O-CB 3.13Å; C386-W390 PolarHBondContact O-N 3.2Å |
| 387 | L | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.8 | -73 | 168.6 | 0 | 0 | 0 | 112 | L302 M355 L358 L376 S383 R385 W390 V391 I438 Y458 | L302-L387 HydrophobicContact CD2-CD1 4.25Å; L302-L387 HydrophobicContact CD2-CD2 3.47Å; L302-L387 VanDerWaalsContact CD2-CD2 3.47Å; L302-L387 HydrophobicContact CD2-CG 3.61Å; M355-L387 HydrophobicContact CE-CD2 4.41Å; M355-L387 HydrophobicContact SD-CD2 4.39Å; L358-L387 HydrophobicContact CD2-CD2 3.87Å; L376-L387 HydrophobicContact CD2-CB 4.48Å; L376-L387 HydrophobicContact CD2-CD1 4.01Å; L376-L387 HydrophobicContact CD2-CD2 4.3Å; L376-L387 HydrophobicContact CG-CD1 4.34Å; S383-L387 WeakPolarHBondContact O-CB 3.24Å; S383-L387 VanDerWaalsContact O-CG 3.3Å; S383-L387 WeakPolarHBondContact O-CG 3.43Å; S383-L387 PolarHBondContact O-N 3.4Å; R385-L387 VanDerWaalsContact C-N 3.29Å; R385-L387 PolarHBondContact O-N 3.37Å; L387-W390 HydrophobicContact CD2-CE3 4.38Å; L387-W390 PolarHBondContact O-N 3.24Å; L387-V391 WeakPolarHBondContact O-CG2 3.19Å; L387-V391 PolarHBondContact O-N 3.1Å; L387-I438 HydrophobicContact CB-CD1 4.15Å; L387-I438 HydrophobicContact CB-CG2 3.86Å; L387-I438 HydrophobicContact CD1-CG2 4.08Å; L387-Y458 HydrophobicContact CD1-CD1 4.47Å; L387-Y458 HydrophobicContact CD2-CE1 4.36Å |
| 388 | L | 95.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 175 | -178.4 | 66.6 | 0 | 0 | 0 | 111.5 | T384 R385 W390 V391 Q392 A404 I406 I438 | T384-L388 WeakPolarHBondContact O-CB 3.36Å; T384-L388 PolarHBondContact O-N 2.78Å; R385-L388 PolarHBondContact O-N 3.18Å; L388-W390 VanDerWaalsContact C-N 3.27Å; L388-W390 PolarHBondContact O-N 3.02Å; L388-V391 PolarHBondContact O-N 2.75Å; L388-Q392 HydrophobicContact CD1-CG 4.1Å; L388-Q392 HydrophobicContact CG-CG 4.28Å; L388-Q392 WeakPolarHBondContact O-CB 3.4Å; L388-Q392 VanDerWaalsContact O-CG 3.29Å; L388-Q392 WeakPolarHBondContact O-CG 3.43Å; L388-Q392 PolarHBondContact O-N 3.06Å; L388-A404 HydrophobicContact CD1-CB 3.83Å; L388-A404 WeakPolarHBondContact CD1-O 3.28Å; L388-I406 HydrophobicContact CB-CD1 3.87Å; L388-I406 HydrophobicContact CB-CG1 3.92Å; L388-I406 HydrophobicContact CD2-CD1 3.63Å; L388-I406 HydrophobicContact CD2-CG1 3.83Å; L388-I406 HydrophobicContact CG-CD1 4.36Å; L388-I406 HydrophobicContact CG-CG1 4.36Å; L388-I438 HydrophobicContact CB-CD1 4.03Å; L388-I438 HydrophobicContact CD1-CD1 4.2Å |
| 389 | D | 94.4 | Very high | 91.9 | Very high | 35 Ų | 35 | 63 Ų | 63 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 176.2 | 179.3 | 73.6 | 0 | 0 | 0 | 111.5 | R303 R309 R385 C386 K393 | R303-D389 IonicContact CZ-OD2 3.41Å; R303-D389 IonicContact NH1-OD2 3.6Å; R303-D389 PolarHBondContact NH1-OD2 3.42Å; R303-D389 IonicContact NH2-OD2 2.69Å; R303-D389 PolarHBondContact NH2-OD2 3.06Å; R309-D389 IonicContact NH1-OD2 3.38Å; R309-D389 PolarHBondContact NH1-OD2 3.34Å; R385-D389 WeakPolarHBondContact O-CB 3.27Å; R385-D389 PolarHBondContact O-N 3.44Å; C386-D389 PolarHBondContact O-N 2.96Å; D389-K393 WeakPolarHBondContact O-CB 3.41Å; D389-K393 WeakPolarHBondContact O-CG 3.12Å; D389-K393 PolarHBondContact O-N 2.82Å; D389-K393 VanDerWaalsContact O-N 3.08Å; D389-K393 WeakPolarHBondContact OD1-CE 3.21Å; D389-K393 IonicContact OD1-NZ 3.94Å; D389-K393 PolarHBondContact OD1-NZ 3.21Å; D389-K393 IonicContact OD2-NZ 3.28Å; D389-K393 PolarHBondContact OD2-NZ 3.02Å |
| 390 | W | 94.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 175 | 170 | 72.6 | 0 | 0 | 0 | 112.4 | M355 L358 E359 L362 C386 L387 L388 Q392 K393 N394 L397 | M355-W390 HydrophobicContact CE-CB 4.06Å; M355-W390 HydrophobicContact CE-CD2 3.25Å; M355-W390 VanDerWaalsContact CE-CE2 3.42Å; M355-W390 HydrophobicContact CE-CE3 3.81Å; M355-W390 HydrophobicContact CE-CG 3.33Å; M355-W390 HydrophobicContact CE-CZ2 4.07Å; M355-W390 HydrophobicContact CE-CZ3 4.42Å; L358-W390 HydrophobicContact CB-CH2 4.4Å; L358-W390 HydrophobicContact CD2-CE3 4.45Å; L358-W390 HydrophobicContact CD2-CH2 3.99Å; L358-W390 HydrophobicContact CD2-CZ3 3.65Å; L358-W390 HydrophobicContact CG-CH2 3.93Å; L358-W390 HydrophobicContact CG-CZ3 4.01Å; E359-W390 HydrophobicContact CB-CH2 4.16Å; E359-W390 HydrophobicContact CB-CZ2 3.92Å; E359-W390 HydrophobicContact CG-CZ2 4.48Å; L362-W390 HydrophobicContact CD1-CH2 4.16Å; L362-W390 HydrophobicContact CD1-CZ3 4.02Å; C386-W390 WeakPolarHBondContact O-CB 3.13Å; C386-W390 PolarHBondContact O-N 3.2Å; L387-W390 HydrophobicContact CD2-CE3 4.38Å; L387-W390 PolarHBondContact O-N 3.24Å; L388-W390 VanDerWaalsContact C-N 3.27Å; L388-W390 PolarHBondContact O-N 3.02Å; W390-Q392 VanDerWaalsContact C-N 3.31Å; W390-Q392 PolarHBondContact O-N 3.35Å; W390-K393 PolarHBondContact O-N 3.03Å; W390-K393 VanDerWaalsContact O-N 3.16Å; W390-N394 WeakPolarHBondContact O-CB 3.46Å; W390-N394 PolarHBondContact O-N 3.3Å; W390-L397 HydrophobicContact CE3-CD1 4.34Å; W390-L397 HydrophobicContact CH2-CD1 3.61Å; W390-L397 HydrophobicContact CZ2-CD1 3.95Å; W390-L397 HydrophobicContact CZ3-CD1 3.81Å |
| 391 | V | 95.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L387 L388 K393 N394 L397 I402 A404 L436 I438 | L387-V391 WeakPolarHBondContact O-CG2 3.19Å; L387-V391 PolarHBondContact O-N 3.1Å; L388-V391 PolarHBondContact O-N 2.75Å; V391-K393 VanDerWaalsContact C-N 3.27Å; V391-K393 PolarHBondContact O-N 3.16Å; V391-N394 PolarHBondContact O-N 3.29Å; V391-L397 HydrophobicContact CB-CD1 4.43Å; V391-L397 HydrophobicContact CG1-CD1 4.39Å; V391-L397 HydrophobicContact CG2-CD1 4.13Å; V391-I402 HydrophobicContact CG1-CG2 3.79Å; V391-A404 HydrophobicContact CB-CB 4.44Å; V391-A404 HydrophobicContact CG1-CB 3.81Å; V391-L436 HydrophobicContact CG1-CD2 4.44Å; V391-L436 HydrophobicContact CG2-CD2 4.22Å; V391-I438 HydrophobicContact CG2-CD1 4.11Å |
| 392 | Q | 94.4 | Very high | 93.2 | Very high | 107 Ų | 107 | 53.7 Ų | 53.7 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -23 | -179.3 | -73.9 | 179.2 | -18.8 | 0 | 0 | 113.5 | L388 W390 Q398 | L388-Q392 HydrophobicContact CD1-CG 4.1Å; L388-Q392 HydrophobicContact CG-CG 4.28Å; L388-Q392 WeakPolarHBondContact O-CB 3.4Å; L388-Q392 VanDerWaalsContact O-CG 3.29Å; L388-Q392 WeakPolarHBondContact O-CG 3.43Å; L388-Q392 PolarHBondContact O-N 3.06Å; W390-Q392 VanDerWaalsContact C-N 3.31Å; W390-Q392 PolarHBondContact O-N 3.35Å; Q392-Q398 PolarHBondContact O-NE2 3.34Å |
| 393 | K | 93.7 | Very high | 93.7 | Very high | 120 Ų | 120 | 56.2 Ų | 56.2 | 52% | 0.522 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -97.6 | -15.6 | 178 | -72.6 | 173 | 176.3 | 164.1 | 0 | 113.5 | D389 W390 V391 R395 | D389-K393 WeakPolarHBondContact O-CB 3.41Å; D389-K393 WeakPolarHBondContact O-CG 3.12Å; D389-K393 PolarHBondContact O-N 2.82Å; D389-K393 VanDerWaalsContact O-N 3.08Å; D389-K393 WeakPolarHBondContact OD1-CE 3.21Å; D389-K393 IonicContact OD1-NZ 3.94Å; D389-K393 PolarHBondContact OD1-NZ 3.21Å; D389-K393 IonicContact OD2-NZ 3.28Å; D389-K393 PolarHBondContact OD2-NZ 3.02Å; W390-K393 PolarHBondContact O-N 3.03Å; W390-K393 VanDerWaalsContact O-N 3.16Å; V391-K393 VanDerWaalsContact C-N 3.27Å; V391-K393 PolarHBondContact O-N 3.16Å; K393-R395 PolarHBondContact O-N 3.25Å |
| 394 | N | 94.1 | Very high | 94 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | trans | -79.4 | 111.1 | -179.9 | -173.9 | -43.4 | 0 | 0 | 0 | 111.1 | E359 W390 V391 T396 L397 Q398 | E359-N394 PolarHBondContact OE1-ND2 2.97Å; E359-N394 PolarHBondContact OE1-OD1 2.73Å; E359-N394 PolarHBondContact OE2-ND2 3.41Å; E359-N394 VanDerWaalsContact OE2-ND2 3.08Å; W390-N394 WeakPolarHBondContact O-CB 3.46Å; W390-N394 PolarHBondContact O-N 3.3Å; V391-N394 PolarHBondContact O-N 3.29Å; N394-T396 VanDerWaalsContact C-N 3.31Å; N394-T396 PolarHBondContact O-N 2.84Å; N394-T396 WeakPolarHBondContact OD1-CA 3.42Å; N394-T396 WeakPolarHBondContact OD1-CB 3.17Å; N394-T396 PolarHBondContact OD1-N 2.89Å; N394-T396 PolarHBondContact OD1-OG1 3.37Å; N394-L397 HydrophobicContact CB-CB 4.17Å; N394-L397 HydrophobicContact CB-CD1 3.91Å; N394-L397 HydrophobicContact CB-CG 4.03Å; N394-L397 PolarHBondContact O-N 3.2Å; N394-L397 PolarHBondContact OD1-N 2.91Å; N394-L397 VanDerWaalsContact OD1-N 3.13Å; N394-Q398 WeakPolarHBondContact O-CG 3.11Å; N394-Q398 PolarHBondContact O-N 3Å | ||
| 395 | R | 94.2 | Very high | 94.2 | Very high | 199 Ų | 199 | 57.4 Ų | 57.4 | 75% | 0.751 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.9 | -31.5 | -178.8 | -68.4 | -174.5 | 178.3 | -173.1 | -0.5 | 113.5 | K393 K399 | K393-R395 PolarHBondContact O-N 3.25Å; R395-K399 WeakPolarHBondContact O-CB 3.33Å; R395-K399 VanDerWaalsContact O-CG 3.28Å; R395-K399 WeakPolarHBondContact O-CG 3.22Å; R395-K399 PolarHBondContact O-N 2.96Å |
| 396 | T | 94.8 | Very high | 94.3 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 179.6 | -41.1 | 0 | 0 | 0 | 0 | 110.4 | E359 L363 N394 Q398 K399 A400 | E359-T396 WeakPolarHBondContact OE1-CB 3.18Å; E359-T396 PolarHBondContact OE1-OG1 3.12Å; L363-T396 HydrophobicContact CD1-CG2 3.56Å; L363-T396 HydrophobicContact CD2-CG2 3.98Å; L363-T396 HydrophobicContact CG-CG2 4.43Å; N394-T396 VanDerWaalsContact C-N 3.31Å; N394-T396 PolarHBondContact O-N 2.84Å; N394-T396 WeakPolarHBondContact OD1-CA 3.42Å; N394-T396 WeakPolarHBondContact OD1-CB 3.17Å; N394-T396 PolarHBondContact OD1-N 2.89Å; N394-T396 PolarHBondContact OD1-OG1 3.37Å; T396-Q398 PolarHBondContact O-N 2.92Å; T396-K399 PolarHBondContact O-N 2.76Å; T396-A400 PolarHBondContact O-N 2.86Å |
| 397 | L | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 175.9 | -63 | -178.4 | 0 | 0 | 0 | 112.1 | E359 L362 L363 W390 V391 N394 A400 G401 I402 | E359-L397 HydrophobicContact CG-CD2 4.1Å; E359-L397 HydrophobicContact CG-CG 4.43Å; L362-L397 HydrophobicContact CB-CD2 3.93Å; L362-L397 HydrophobicContact CD1-CD1 4.16Å; L362-L397 HydrophobicContact CD1-CD2 4.19Å; L363-L397 HydrophobicContact CD2-CD2 3.9Å; L363-L397 HydrophobicContact CG-CD2 3.94Å; W390-L397 HydrophobicContact CE3-CD1 4.34Å; W390-L397 HydrophobicContact CH2-CD1 3.61Å; W390-L397 HydrophobicContact CZ2-CD1 3.95Å; W390-L397 HydrophobicContact CZ3-CD1 3.81Å; V391-L397 HydrophobicContact CB-CD1 4.43Å; V391-L397 HydrophobicContact CG1-CD1 4.39Å; V391-L397 HydrophobicContact CG2-CD1 4.13Å; N394-L397 HydrophobicContact CB-CB 4.17Å; N394-L397 HydrophobicContact CB-CD1 3.91Å; N394-L397 HydrophobicContact CB-CG 4.03Å; N394-L397 PolarHBondContact O-N 3.2Å; N394-L397 PolarHBondContact OD1-N 2.91Å; N394-L397 VanDerWaalsContact OD1-N 3.13Å; L397-A400 PolarHBondContact O-N 2.86Å; L397-G401 PolarHBondContact O-N 3.23Å; L397-I402 HydrophobicContact CB-CD1 4.09Å; L397-I402 HydrophobicContact CD2-CD1 3.75Å; L397-I402 HydrophobicContact CG-CD1 4.42Å; L397-I402 WeakPolarHBondContact O-CB 3.32Å; L397-I402 PolarHBondContact O-N 2.97Å |
| 398 | Q | 93.6 | Very high | 93.9 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 172.7 | -72 | 176.8 | -2.2 | 0 | 0 | 112.1 | Q392 N394 T396 A400 G401 | Q392-Q398 PolarHBondContact O-NE2 3.34Å; N394-Q398 WeakPolarHBondContact O-CG 3.11Å; N394-Q398 PolarHBondContact O-N 3Å; T396-Q398 PolarHBondContact O-N 2.92Å; Q398-A400 PolarHBondContact O-N 3.04Å; Q398-G401 PolarHBondContact O-N 3.25Å |
| 399 | K | 93.3 | Very high | 93 | Very high | 170 Ų | 170 | 52.5 Ų | 52.5 | 74% | 0.739 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.8 | -30.4 | 177 | -76.5 | 176.4 | 179.5 | -174.9 | 0 | 112.7 | R395 T396 G401 | R395-K399 WeakPolarHBondContact O-CB 3.33Å; R395-K399 VanDerWaalsContact O-CG 3.28Å; R395-K399 WeakPolarHBondContact O-CG 3.22Å; R395-K399 PolarHBondContact O-N 2.96Å; T396-K399 PolarHBondContact O-N 2.76Å; K399-G401 PolarHBondContact O-N 2.91Å |
| 400 | A | 93.4 | Very high | 91.6 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 2.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L363 F366 G367 T396 L397 Q398 I402 | L363-A400 HydrophobicContact CD2-CB 3.62Å; F366-A400 HydrophobicContact CB-CB 4.39Å; G367-A400 CarbonylContact C-O 3.53Å; T396-A400 PolarHBondContact O-N 2.86Å; L397-A400 PolarHBondContact O-N 2.86Å; Q398-A400 PolarHBondContact O-N 3.04Å; A400-I402 HydrophobicContact CB-CG1 4.44Å |
| 401 | G | 93.2 | Very high | 89.9 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 16.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L397 Q398 K399 K403 N435 | L397-G401 PolarHBondContact O-N 3.23Å; Q398-G401 PolarHBondContact O-N 3.25Å; K399-G401 PolarHBondContact O-N 2.91Å; G401-K403 PolarHBondContact O-N 2.83Å; G401-N435 PolarHBondContact O-ND2 2.88Å |
| 402 | I | 95.3 | Very high | 87.6 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | trans | -72.3 | 123 | -177.7 | -60.9 | -178.1 | 0 | 0 | 0 | 110.9 | L362 F366 V391 L397 A400 A404 N435 L436 | L362-I402 HydrophobicContact CB-CD1 4.12Å; F366-I402 HydrophobicContact CB-CD1 3.89Å; F366-I402 HydrophobicContact CB-CG1 3.8Å; F366-I402 HydrophobicContact CD1-CD1 4.4Å; F366-I402 HydrophobicContact CD1-CG1 3.85Å; F366-I402 HydrophobicContact CD2-CD1 3.94Å; F366-I402 HydrophobicContact CD2-CG1 4.29Å; F366-I402 HydrophobicContact CE1-CG1 4.48Å; F366-I402 HydrophobicContact CG-CD1 3.83Å; F366-I402 HydrophobicContact CG-CG1 3.73Å; V391-I402 HydrophobicContact CG1-CG2 3.79Å; L397-I402 HydrophobicContact CB-CD1 4.09Å; L397-I402 HydrophobicContact CD2-CD1 3.75Å; L397-I402 HydrophobicContact CG-CD1 4.42Å; L397-I402 WeakPolarHBondContact O-CB 3.32Å; L397-I402 PolarHBondContact O-N 2.97Å; A400-I402 HydrophobicContact CB-CG1 4.44Å; I402-A404 HydrophobicContact CG2-CB 4.42Å; I402-N435 WeakPolarHBondContact CA-OD1 3.4Å; I402-L436 HydrophobicContact CG2-CB 3.83Å; I402-L436 HydrophobicContact CG2-CD2 3.7Å; I402-L436 HydrophobicContact CG2-CG 4.43Å | ||
| 403 | K | 95 | Very high | 85.4 | Confident | 124 Ų | 124 | 59 Ų | 59 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | trans | -119.3 | 99.1 | 175.3 | -63.5 | 175.7 | -172.4 | 173.5 | 0 | 108.2 | G401 I433 N435 L436 | G401-K403 PolarHBondContact O-N 2.83Å; K403-I433 WeakPolarHBondContact CD-O 3.38Å; K403-N435 PolarHBondContact N-OD1 3.17Å; K403-N435 PolarHBondContact O-N 2.91Å; K403-N435 PolarHBondContact O-OD1 3.4Å; K403-L436 PolarHBondContact O-N 3.28Å | ||
| 404 | A | 96.2 | Very high | 82.9 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 13% | 0.132 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 147 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L388 V391 I402 L436 I438 | L388-A404 HydrophobicContact CD1-CB 3.83Å; L388-A404 WeakPolarHBondContact CD1-O 3.28Å; V391-A404 HydrophobicContact CB-CB 4.44Å; V391-A404 HydrophobicContact CG1-CB 3.81Å; I402-A404 HydrophobicContact CG2-CB 4.42Å; A404-L436 VanDerWaalsContact CA-O 3.23Å; A404-L436 WeakPolarHBondContact CA-O 3.38Å; A404-L436 HydrophobicContact CB-CB 4.04Å; A404-L436 HydrophobicContact CB-CD2 4.1Å; A404-L436 HydrophobicContact CB-CG 4.26Å; A404-I438 HydrophobicContact CB-CD1 4.16Å |
| 405 | A | 95.6 | Very high | 81 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | T425 L434 L436 I438 | A405-T425 HydrophobicContact CB-CG2 4.03Å; A405-L434 HydrophobicContact CB-CD1 3.52Å; A405-L434 HydrophobicContact CB-CD2 3.96Å; A405-L434 HydrophobicContact CB-CG 4.35Å; A405-L436 PolarHBondContact N-O 2.88Å; A405-L436 VanDerWaalsContact N-O 3.12Å; A405-I438 PolarHBondContact O-N 2.83Å |
| 406 | I | 94 | Very high | 79.8 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.138 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 146.5 | 177.1 | -68.8 | 164.6 | 0 | 0 | 0 | 110 | R385 L388 T408 M417 I438 | R385-I406 HydrophobicContact CB-CD1 4.16Å; R385-I406 HydrophobicContact CG-CD1 3.58Å; L388-I406 HydrophobicContact CB-CD1 3.87Å; L388-I406 HydrophobicContact CB-CG1 3.92Å; L388-I406 HydrophobicContact CD2-CD1 3.63Å; L388-I406 HydrophobicContact CD2-CG1 3.83Å; L388-I406 HydrophobicContact CG-CD1 4.36Å; L388-I406 HydrophobicContact CG-CG1 4.36Å; I406-T408 HydrophobicContact CG2-CG2 3.4Å; I406-T408 VanDerWaalsContact CG2-CG2 3.4Å; I406-M417 HydrophobicContact CG2-SD 4.11Å; I406-M417 WeakPolarHBondContact O-CE 3.49Å; I406-I438 CarbonylContact C-O 3.57Å; I406-I438 VanDerWaalsContact CA-O 3.25Å; I406-I438 WeakPolarHBondContact CA-O 3.21Å |
| 407 | L | 90.5 | Very high | 78.8 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 105.8 | 166.2 | -174.8 | 59.1 | 0 | 0 | 0 | 110.3 | M417 Q422 I426 L437 I438 S439 T440 A443 L447 | L407-M417 VanDerWaalsContact CA-SD 3.59Å; L407-M417 HydrophobicContact CD1-CE 4.38Å; L407-Q422 HydrophobicContact CD1-CB 3.95Å; L407-Q422 HydrophobicContact CD1-CG 3.85Å; L407-I426 HydrophobicContact CD1-CD1 4.36Å; L407-I426 HydrophobicContact CD1-CG1 4.25Å; L407-I426 HydrophobicContact CD2-CD1 4.25Å; L407-I426 HydrophobicContact CD2-CG1 3.9Å; L407-L437 HydrophobicContact CD2-CD1 4.14Å; L407-I438 PolarHBondContact N-O 3.49Å; L407-S439 VanDerWaalsContact O-CA 3.24Å; L407-S439 WeakPolarHBondContact O-CA 3.41Å; L407-S439 PolarHBondContact O-OG 3.23Å; L407-S439 VanDerWaalsContact O-OG 3.07Å; L407-T440 PolarHBondContact O-N 3.36Å; L407-A443 HydrophobicContact CD2-CB 3.91Å; L407-L447 HydrophobicContact CD2-CD2 4.17Å |
| 408 | T | 87.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | trans | -126.7 | 161 | -179.5 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | R381 T384 I406 M417 Q422 T440 | R381-T408 HydrophobicContact CB-CG2 4.24Å; R381-T408 HydrophobicContact CG-CG2 3.92Å; T384-T408 HydrophobicContact CG2-CG2 4.45Å; I406-T408 HydrophobicContact CG2-CG2 3.4Å; I406-T408 VanDerWaalsContact CG2-CG2 3.4Å; T408-M417 PolarHBondContact N-SD 3.11Å; T408-Q422 VanDerWaalsContact O-CD 3.31Å; T408-Q422 PolarHBondContact O-NE2 2.84Å; T408-T440 HydrophobicContact CG2-CG2 4.03Å | ||
| 409 | G | 75.4 | Confident | 76.7 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | trans | -79 | 150.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R381 G411 | R381-G409 PolarHBondContact NH2-O 3.33Å; G409-G411 PolarHBondContact O-N 2.66Å | ||
| 410 | A | 65 | Low | 75.8 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 51% | 0.512 | 29% | 0.293 | S | S | . | . | trans | -62.7 | 120.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | M417 | A410-M417 WeakPolarHBondContact CA-O 3.26Š| ||
| 411 | G | 58.6 | Low | 75.3 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 24% | 0.237 | 31% | 0.308 | C | S | . | . | trans | -171.9 | 167.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G409 Y416 | G409-G411 PolarHBondContact O-N 2.66Å; G411-Y416 WeakPolarHBondContact O-CB 3.46Å; G411-Y416 WeakPolarHBondContact O-CD1 3.23Å | ||
| 412 | N | 46.4 | Very low | 74.8 | Confident | 167 Ų | 167 | 52.6 Ų | 52.6 | 89% | 0.893 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -78.5 | 134.2 | -165.2 | -56.6 | -4.9 | 0 | 0 | 0 | 112.9 | ||
| 413 | G | 48.6 | Very low | 74.1 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 147.5 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T415 Y416 | G413-T415 PolarHBondContact O-N 3.33Å; G413-Y416 WeakPolarHBondContact O-CD1 3.45Å; G413-Y416 WeakPolarHBondContact O-CE1 3.08Å |
| 414 | I | 41.8 | Very low | 73.7 | Confident | 168 Ų | 168 | 51.4 Ų | 51.4 | 86% | 0.862 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 3.8 | -179.7 | -57.6 | 165.4 | 0 | 0 | 0 | 112.2 | R385 | R385-I414 PolarHBondContact NH2-O 3.03Å; R385-I414 VanDerWaalsContact NH2-O 3.1Å |
| 415 | T | 54.7 | Low | 73.4 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 27% | 0.27 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 14.3 | -162.5 | 74.4 | 0 | 0 | 0 | 0 | 118.1 | R385 G413 | R385-T415 VanDerWaalsContact NH2-CB 3.28Å; G413-T415 PolarHBondContact O-N 3.33Å |
| 416 | Y | 69.1 | Low | 73 | Confident | 79 Ų | 79 | 51 Ų | 51 | 31% | 0.31 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 156.4 | 174.3 | 62.5 | -90.4 | 0 | 0 | 0 | 112.5 | G411 G413 T418 | G411-Y416 WeakPolarHBondContact O-CB 3.46Å; G411-Y416 WeakPolarHBondContact O-CD1 3.23Å; G413-Y416 WeakPolarHBondContact O-CD1 3.45Å; G413-Y416 WeakPolarHBondContact O-CE1 3.08Å; Y416-T418 HydrophobicContact CD2-CG2 4.01Å; Y416-T418 HydrophobicContact CE2-CG2 3.67Å |
| 417 | M | 72.3 | Confident | 72.6 | Confident | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 136.4 | 161.4 | -68.3 | 173.1 | 72.4 | 0 | 0 | 109.4 | I406 L407 T408 A410 E421 Q422 T425 | I406-M417 HydrophobicContact CG2-SD 4.11Å; I406-M417 WeakPolarHBondContact O-CE 3.49Å; L407-M417 VanDerWaalsContact CA-SD 3.59Å; L407-M417 HydrophobicContact CD1-CE 4.38Å; T408-M417 PolarHBondContact N-SD 3.11Å; A410-M417 WeakPolarHBondContact CA-O 3.26Å; M417-E421 WeakPolarHBondContact CA-OE2 3.29Å; M417-E421 HydrophobicContact CB-CB 4.29Å; M417-E421 HydrophobicContact CE-CB 4.2Å; M417-Q422 HydrophobicContact CB-CG 3.86Å; M417-Q422 HydrophobicContact CE-CG 4.44Å; M417-Q422 PolarHBondContact O-NE2 3.33Å; M417-T425 HydrophobicContact CE-CG2 4.44Å; M417-T425 VanDerWaalsContact CE-OG1 3.28Å; M417-T425 WeakPolarHBondContact CE-OG1 3.25Å |
| 418 | T | 73 | Confident | 72.7 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 168.4 | 176.2 | 81.4 | 0 | 0 | 0 | 0 | 109.7 | Y416 N420 E421 Q422 E599 | Y416-T418 HydrophobicContact CD2-CG2 4.01Å; Y416-T418 HydrophobicContact CE2-CG2 3.67Å; T418-N420 VanDerWaalsContact C-N 3.29Å; T418-N420 PolarHBondContact O-N 3.36Å; T418-E421 PolarHBondContact N-OE2 2.89Å; T418-E421 PolarHBondContact O-N 2.83Å; T418-E421 WeakPolarHBondContact OG1-CG 3.48Å; T418-E421 PolarHBondContact OG1-N 2.87Å; T418-Q422 VanDerWaalsContact O-CG 3.23Å; T418-Q422 WeakPolarHBondContact O-CG 3.15Å; T418-Q422 PolarHBondContact O-N 2.79Å; T418-E599 WeakPolarHBondContact CB-OE2 3.33Å; T418-E599 HydrophobicContact CG2-CG 4.16Å; T418-E599 WeakPolarHBondContact CG2-OE1 3.41Å; T418-E599 WeakPolarHBondContact CG2-OE2 3.24Å; T418-E599 PolarHBondContact OG1-OE2 2.94Å |
| 419 | Q | 71.4 | Confident | 72.9 | Confident | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | -176.7 | -62.8 | -176.9 | 42.5 | 0 | 0 | 111.3 | V60 D87 Q422 A423 | V60-Q419 VanDerWaalsContact CB-OE1 3.28Å; D87-Q419 PolarHBondContact OD1-NE2 2.84Å; D87-Q419 PolarHBondContact OD2-NE2 2.92Å; D87-Q419 PolarHBondContact OD2-OE1 3.26Å; D87-Q419 VanDerWaalsContact OD2-OE1 3.04Å; Q419-Q422 PolarHBondContact O-N 2.89Å; Q419-A423 WeakPolarHBondContact O-CB 3.3Å; Q419-A423 PolarHBondContact O-N 2.82Å |
| 420 | N | 75.7 | Confident | 73.4 | Confident | 109 Ų | 109 | 60.5 Ų | 60.5 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 174.7 | -68.7 | -23.2 | 0 | 0 | 0 | 111.2 | T418 Q422 A423 D424 | T418-N420 VanDerWaalsContact C-N 3.29Å; T418-N420 PolarHBondContact O-N 3.36Å; N420-Q422 VanDerWaalsContact C-N 3.3Å; N420-Q422 PolarHBondContact O-N 3.37Å; N420-A423 PolarHBondContact O-N 2.99Å; N420-D424 WeakPolarHBondContact O-CB 3.46Å; N420-D424 PolarHBondContact O-N 3.23Å |
| 421 | E | 82.6 | Confident | 74.4 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 175.7 | -67.5 | 177.3 | 140.2 | 0 | 0 | 112.3 | M417 T418 T425 | M417-E421 WeakPolarHBondContact CA-OE2 3.29Å; M417-E421 HydrophobicContact CB-CB 4.29Å; M417-E421 HydrophobicContact CE-CB 4.2Å; T418-E421 PolarHBondContact N-OE2 2.89Å; T418-E421 PolarHBondContact O-N 2.83Å; T418-E421 WeakPolarHBondContact OG1-CG 3.48Å; T418-E421 PolarHBondContact OG1-N 2.87Å; E421-T425 VanDerWaalsContact O-CB 3.27Å; E421-T425 WeakPolarHBondContact O-CB 3.23Å; E421-T425 PolarHBondContact O-N 3.11Å; E421-T425 PolarHBondContact O-OG1 3.43Å |
| 422 | Q | 83 | Confident | 75.8 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 174.3 | -71.2 | 173.7 | 33.5 | 0 | 0 | 110.8 | L407 T408 M417 T418 Q419 N420 T425 I426 | L407-Q422 HydrophobicContact CD1-CB 3.95Å; L407-Q422 HydrophobicContact CD1-CG 3.85Å; T408-Q422 VanDerWaalsContact O-CD 3.31Å; T408-Q422 PolarHBondContact O-NE2 2.84Å; M417-Q422 HydrophobicContact CB-CG 3.86Å; M417-Q422 HydrophobicContact CE-CG 4.44Å; M417-Q422 PolarHBondContact O-NE2 3.33Å; T418-Q422 VanDerWaalsContact O-CG 3.23Å; T418-Q422 WeakPolarHBondContact O-CG 3.15Å; T418-Q422 PolarHBondContact O-N 2.79Å; Q419-Q422 PolarHBondContact O-N 2.89Å; N420-Q422 VanDerWaalsContact C-N 3.3Å; N420-Q422 PolarHBondContact O-N 3.37Å; Q422-T425 PolarHBondContact O-N 2.98Å; Q422-I426 WeakPolarHBondContact O-CB 3.47Å; Q422-I426 WeakPolarHBondContact O-CD1 3.43Å; Q422-I426 WeakPolarHBondContact O-CG1 3.25Å; Q422-I426 PolarHBondContact O-N 3.1Å |
| 423 | A | 80.6 | Confident | 78 | Confident | 48 Ų | 48 | 60 Ų | 60 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q419 N420 I426 R427 | Q419-A423 WeakPolarHBondContact O-CB 3.3Å; Q419-A423 PolarHBondContact O-N 2.82Å; N420-A423 PolarHBondContact O-N 2.99Å; A423-I426 PolarHBondContact O-N 3.16Å; A423-R427 VanDerWaalsContact O-CB 3.31Å; A423-R427 WeakPolarHBondContact O-CB 3.41Å; A423-R427 PolarHBondContact O-N 2.65Å |
| 424 | D | 86.4 | Confident | 80.1 | Confident | 67 Ų | 67 | 59 Ų | 59 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.5 | -76.8 | -24.5 | 0 | 0 | 0 | 111.5 | N420 R427 N428 | N420-D424 WeakPolarHBondContact O-CB 3.46Å; N420-D424 PolarHBondContact O-N 3.23Å; D424-R427 PolarHBondContact O-N 2.96Å; D424-R427 IonicContact OD1-CZ 3.11Å; D424-R427 VanDerWaalsContact OD1-CZ 3.23Å; D424-R427 IonicContact OD1-NH1 3.24Å; D424-R427 PolarHBondContact OD1-NH1 2.77Å; D424-R427 IonicContact OD1-NH2 2.72Å; D424-R427 PolarHBondContact OD1-NH2 3.25Å; D424-N428 WeakPolarHBondContact O-CB 3.47Å; D424-N428 PolarHBondContact O-N 3.39Å; D424-N428 PolarHBondContact O-ND2 3.15Å |
| 425 | T | 89.8 | Confident | 82.6 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 175.8 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | A405 M417 E421 Q422 R427 N428 F429 L434 L437 | A405-T425 HydrophobicContact CB-CG2 4.03Å; M417-T425 HydrophobicContact CE-CG2 4.44Å; M417-T425 VanDerWaalsContact CE-OG1 3.28Å; M417-T425 WeakPolarHBondContact CE-OG1 3.25Å; E421-T425 VanDerWaalsContact O-CB 3.27Å; E421-T425 WeakPolarHBondContact O-CB 3.23Å; E421-T425 PolarHBondContact O-N 3.11Å; E421-T425 PolarHBondContact O-OG1 3.43Å; Q422-T425 PolarHBondContact O-N 2.98Å; T425-R427 VanDerWaalsContact C-N 3.34Å; T425-R427 PolarHBondContact O-N 3.43Å; T425-N428 PolarHBondContact O-N 3.06Å; T425-F429 WeakPolarHBondContact O-CB 3.43Å; T425-F429 PolarHBondContact O-N 3.14Å; T425-L434 HydrophobicContact CG2-CD1 4.12Å; T425-L437 HydrophobicContact CG2-CD2 3.72Å |
| 426 | I | 87.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 178 | -70 | 164.6 | 0 | 0 | 0 | 110.6 | L407 Q422 A423 F429 R430 L447 | L407-I426 HydrophobicContact CD1-CD1 4.36Å; L407-I426 HydrophobicContact CD1-CG1 4.25Å; L407-I426 HydrophobicContact CD2-CD1 4.25Å; L407-I426 HydrophobicContact CD2-CG1 3.9Å; Q422-I426 WeakPolarHBondContact O-CB 3.47Å; Q422-I426 WeakPolarHBondContact O-CD1 3.43Å; Q422-I426 WeakPolarHBondContact O-CG1 3.25Å; Q422-I426 PolarHBondContact O-N 3.1Å; A423-I426 PolarHBondContact O-N 3.16Å; I426-F429 PolarHBondContact O-N 3.36Å; I426-R430 HydrophobicContact CG2-CG 4.49Å; I426-R430 WeakPolarHBondContact O-CB 3.29Å; I426-R430 WeakPolarHBondContact O-CG 3.37Å; I426-R430 PolarHBondContact O-N 3.15Å; I426-L447 HydrophobicContact CB-CD1 4.35Å; I426-L447 HydrophobicContact CD1-CD1 3.75Å; I426-L447 HydrophobicContact CG1-CD1 3.76Å; I426-L447 HydrophobicContact CG2-CD1 3.64Å |
| 427 | R | 86.5 | Confident | 85.8 | Confident | 130 Ų | 130 | 46.5 Ų | 46.5 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 176.7 | -176.1 | -179.6 | 67.3 | -148.2 | -9.4 | 111.2 | A423 D424 T425 F429 R430 N431 | A423-R427 VanDerWaalsContact O-CB 3.31Å; A423-R427 WeakPolarHBondContact O-CB 3.41Å; A423-R427 PolarHBondContact O-N 2.65Å; D424-R427 PolarHBondContact O-N 2.96Å; D424-R427 IonicContact OD1-CZ 3.11Å; D424-R427 VanDerWaalsContact OD1-CZ 3.23Å; D424-R427 IonicContact OD1-NH1 3.24Å; D424-R427 PolarHBondContact OD1-NH1 2.77Å; D424-R427 IonicContact OD1-NH2 2.72Å; D424-R427 PolarHBondContact OD1-NH2 3.25Å; T425-R427 VanDerWaalsContact C-N 3.34Å; T425-R427 PolarHBondContact O-N 3.43Å; R427-F429 VanDerWaalsContact C-N 3.27Å; R427-F429 PolarHBondContact O-N 3.26Å; R427-R430 PolarHBondContact O-N 3.25Å; R427-N431 WeakPolarHBondContact O-CB 3.24Å; R427-N431 PolarHBondContact O-N 3.34Å |
| 428 | N | 91.4 | Very high | 86.9 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 178.6 | -70.3 | -13.8 | 0 | 0 | 0 | 111.8 | D424 T425 G432 I433 L434 | D424-N428 WeakPolarHBondContact O-CB 3.47Å; D424-N428 PolarHBondContact O-N 3.39Å; D424-N428 PolarHBondContact O-ND2 3.15Å; T425-N428 PolarHBondContact O-N 3.06Å; N428-G432 PolarHBondContact O-N 3.37Å; N428-I433 HydrophobicContact CB-CB 4.16Å; N428-I433 HydrophobicContact CB-CG2 4.43Å; N428-I433 WeakPolarHBondContact O-CB 3.45Å; N428-I433 PolarHBondContact O-N 2.9Å; N428-L434 HydrophobicContact CB-CD1 3.74Å; N428-L434 HydrophobicContact CB-CG 3.96Å; N428-L434 PolarHBondContact O-N 3.46Å; N428-L434 VanDerWaalsContact O-N 3.1Å |
| 429 | F | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.3 | -41.9 | 173.4 | -169.1 | -105.2 | 0 | 0 | 0 | 113.3 | R373 G374 I375 T425 I426 R427 N431 G432 L434 N435 L437 I449 | R373-F429 HydrophobicContact CB-CE1 4.3Å; R373-F429 HydrophobicContact CB-CZ 3.84Å; R373-F429 PolarHBondContact NH1-O 3.47Å; G374-F429 WeakPolarHBondContact O-CZ 3.42Å; I375-F429 HydrophobicContact CG1-CZ 4.45Å; T425-F429 WeakPolarHBondContact O-CB 3.43Å; T425-F429 PolarHBondContact O-N 3.14Å; I426-F429 PolarHBondContact O-N 3.36Å; R427-F429 VanDerWaalsContact C-N 3.27Å; R427-F429 PolarHBondContact O-N 3.26Å; F429-N431 VanDerWaalsContact C-N 3.29Å; F429-N431 PolarHBondContact O-N 3.39Å; F429-G432 PolarHBondContact O-N 3.17Å; F429-L434 HydrophobicContact CB-CB 4.27Å; F429-L434 HydrophobicContact CD2-CB 3.97Å; F429-L434 WeakPolarHBondContact CD2-O 3.11Å; F429-N435 WeakPolarHBondContact CE2-O 3.39Å; F429-L437 HydrophobicContact CB-CD1 4.14Å; F429-L437 HydrophobicContact CB-CD2 4.02Å; F429-L437 HydrophobicContact CB-CG 4.15Å; F429-L437 HydrophobicContact CD1-CD1 3.61Å; F429-L437 HydrophobicContact CD1-CG 3.96Å; F429-L437 HydrophobicContact CD2-CD1 4.09Å; F429-L437 HydrophobicContact CD2-CD2 3.87Å; F429-L437 HydrophobicContact CD2-CG 3.47Å; F429-L437 VanDerWaalsContact CD2-CG 3.47Å; F429-L437 HydrophobicContact CE1-CD1 3.95Å; F429-L437 HydrophobicContact CE1-CG 4.17Å; F429-L437 HydrophobicContact CE2-CB 4.35Å; F429-L437 HydrophobicContact CE2-CD1 4.34Å; F429-L437 HydrophobicContact CE2-CD2 4.47Å; F429-L437 HydrophobicContact CE2-CG 3.66Å; F429-L437 HydrophobicContact CG-CD1 3.67Å; F429-L437 HydrophobicContact CG-CD2 3.97Å; F429-L437 HydrophobicContact CG-CG 3.58Å; F429-L437 HydrophobicContact CZ-CD1 4.28Å; F429-L437 HydrophobicContact CZ-CG 4.01Å; F429-I449 HydrophobicContact CD1-CD1 3.5Å; F429-I449 VanDerWaalsContact CD1-CD1 3.5Å; F429-I449 HydrophobicContact CD1-CG1 4.11Å; F429-I449 HydrophobicContact CD1-CG2 4.25Å; F429-I449 HydrophobicContact CE1-CD1 3.54Å; F429-I449 HydrophobicContact CE1-CG1 4.27Å; F429-I449 HydrophobicContact CE1-CG2 3.93Å |
| 430 | R | 85.8 | Confident | 88.7 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 25% | 0.249 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -33.6 | 174.7 | -78 | 177.3 | 174 | 158.9 | 4 | 112.8 | R373 I426 R427 G432 D448 I449 | R373-R430 VanDerWaalsContact NH1-C 3.3Å; R373-R430 PolarHBondContact NH1-O 3.42Å; I426-R430 HydrophobicContact CG2-CG 4.49Å; I426-R430 WeakPolarHBondContact O-CB 3.29Å; I426-R430 WeakPolarHBondContact O-CG 3.37Å; I426-R430 PolarHBondContact O-N 3.15Å; R427-R430 PolarHBondContact O-N 3.25Å; R430-G432 VanDerWaalsContact C-N 3.28Å; R430-G432 PolarHBondContact O-N 3.24Å; R430-D448 PolarHBondContact NE-O 2.7Å; R430-D448 PolarHBondContact NH2-O 2.91Å; R430-I449 HydrophobicContact CG-CG1 4.3Å |
| 431 | N | 87.8 | Confident | 89.2 | Confident | 111 Ų | 111 | 41 Ų | 41 | 59% | 0.594 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 0.9 | 178.8 | -65.6 | -8.6 | 0 | 0 | 0 | 113.3 | R427 F429 I433 | R427-N431 WeakPolarHBondContact O-CB 3.24Å; R427-N431 PolarHBondContact O-N 3.34Å; F429-N431 VanDerWaalsContact C-N 3.29Å; F429-N431 PolarHBondContact O-N 3.39Å; N431-I433 HydrophobicContact CB-CD1 4.4Å; N431-I433 HydrophobicContact CB-CG1 4.38Å; N431-I433 PolarHBondContact O-N 3.16Å |
| 432 | G | 87.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 7.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | N428 F429 R430 L434 | N428-G432 PolarHBondContact O-N 3.37Å; F429-G432 PolarHBondContact O-N 3.17Å; R430-G432 VanDerWaalsContact C-N 3.28Å; R430-G432 PolarHBondContact O-N 3.24Å; G432-L434 VanDerWaalsContact C-N 3.28Å |
| 433 | I | 92.3 | Very high | 89.4 | Confident | 93 Ų | 93 | 37.4 Ų | 37.4 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -64.4 | -41.4 | 171.2 | -61.6 | 170.7 | 0 | 0 | 0 | 109.2 | K403 N428 N431 | K403-I433 WeakPolarHBondContact CD-O 3.38Å; N428-I433 HydrophobicContact CB-CB 4.16Å; N428-I433 HydrophobicContact CB-CG2 4.43Å; N428-I433 WeakPolarHBondContact O-CB 3.45Å; N428-I433 PolarHBondContact O-N 2.9Å; N431-I433 HydrophobicContact CB-CD1 4.4Å; N431-I433 HydrophobicContact CB-CG1 4.38Å; N431-I433 PolarHBondContact O-N 3.16Å |
| 434 | L | 93.9 | Very high | 89.5 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | trans | -105.7 | 144.4 | 168.2 | -58.6 | 168.9 | 0 | 0 | 0 | 108.9 | A405 T425 N428 F429 G432 | A405-L434 HydrophobicContact CB-CD1 3.52Å; A405-L434 HydrophobicContact CB-CD2 3.96Å; A405-L434 HydrophobicContact CB-CG 4.35Å; T425-L434 HydrophobicContact CG2-CD1 4.12Å; N428-L434 HydrophobicContact CB-CD1 3.74Å; N428-L434 HydrophobicContact CB-CG 3.96Å; N428-L434 PolarHBondContact O-N 3.46Å; N428-L434 VanDerWaalsContact O-N 3.1Å; F429-L434 HydrophobicContact CB-CB 4.27Å; F429-L434 HydrophobicContact CD2-CB 3.97Å; F429-L434 WeakPolarHBondContact CD2-O 3.11Å; G432-L434 VanDerWaalsContact C-N 3.28Å | ||
| 435 | N | 93.7 | Very high | 89.3 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | trans | -128.4 | -3.6 | 178.5 | 65.3 | 6.4 | 0 | 0 | 0 | 113.4 | F366 S372 R373 G374 G401 I402 K403 F429 | F366-N435 HydrophobicContact CE1-CB 4.06Å; F366-N435 VanDerWaalsContact CE1-O 3.29Å; F366-N435 WeakPolarHBondContact CE1-O 3.44Å; F366-N435 VanDerWaalsContact CZ-O 3.25Å; F366-N435 WeakPolarHBondContact CZ-O 3.3Å; S372-N435 WeakPolarHBondContact O-CB 3.21Å; R373-N435 WeakPolarHBondContact CA-O 3.41Å; G374-N435 PolarHBondContact N-O 3.38Å; G401-N435 PolarHBondContact O-ND2 2.88Å; I402-N435 WeakPolarHBondContact CA-OD1 3.4Å; K403-N435 PolarHBondContact N-OD1 3.17Å; K403-N435 PolarHBondContact O-N 2.91Å; K403-N435 PolarHBondContact O-OD1 3.4Å; F429-N435 WeakPolarHBondContact CE2-O 3.39Å | ||
| 436 | L | 95.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124 | 167 | -177.8 | 63.7 | 0 | 0 | 0 | 111.7 | L362 F366 G374 L376 V391 I402 K403 A404 A405 I438 | L362-L436 HydrophobicContact CD1-CD2 4.3Å; L362-L436 HydrophobicContact CD2-CD1 4.07Å; L362-L436 HydrophobicContact CD2-CD2 4.22Å; F366-L436 HydrophobicContact CE2-CD1 4.4Å; F366-L436 HydrophobicContact CZ-CB 4.3Å; F366-L436 HydrophobicContact CZ-CD1 4.29Å; G374-L436 WeakPolarHBondContact O-CA 3.26Å; L376-L436 HydrophobicContact CB-CD1 4.21Å; V391-L436 HydrophobicContact CG1-CD2 4.44Å; V391-L436 HydrophobicContact CG2-CD2 4.22Å; I402-L436 HydrophobicContact CG2-CB 3.83Å; I402-L436 HydrophobicContact CG2-CD2 3.7Å; I402-L436 HydrophobicContact CG2-CG 4.43Å; K403-L436 PolarHBondContact O-N 3.28Å; A404-L436 VanDerWaalsContact CA-O 3.23Å; A404-L436 WeakPolarHBondContact CA-O 3.38Å; A404-L436 HydrophobicContact CB-CB 4.04Å; A404-L436 HydrophobicContact CB-CD2 4.1Å; A404-L436 HydrophobicContact CB-CG 4.26Å; A405-L436 PolarHBondContact N-O 2.88Å; A405-L436 VanDerWaalsContact N-O 3.12Å; L436-I438 HydrophobicContact CD2-CG1 4.49Å; L436-I438 HydrophobicContact CG-CG1 4.39Å |
| 437 | L | 95.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.3 | 167.3 | -70 | 179.4 | 0 | 0 | 0 | 110.5 | G374 I375 L376 L407 T425 F429 L447 I449 | G374-L437 PolarHBondContact O-N 3.42Å; I375-L437 CarbonylContact C-O 3.57Å; I375-L437 WeakPolarHBondContact CA-O 3.22Å; I375-L437 HydrophobicContact CG1-CB 4.39Å; I375-L437 HydrophobicContact CG2-CB 4.43Å; L376-L437 PolarHBondContact N-O 2.92Å; L407-L437 HydrophobicContact CD2-CD1 4.14Å; T425-L437 HydrophobicContact CG2-CD2 3.72Å; F429-L437 HydrophobicContact CB-CD1 4.14Å; F429-L437 HydrophobicContact CB-CD2 4.02Å; F429-L437 HydrophobicContact CB-CG 4.15Å; F429-L437 HydrophobicContact CD1-CD1 3.61Å; F429-L437 HydrophobicContact CD1-CG 3.96Å; F429-L437 HydrophobicContact CD2-CD1 4.09Å; F429-L437 HydrophobicContact CD2-CD2 3.87Å; F429-L437 HydrophobicContact CD2-CG 3.47Å; F429-L437 VanDerWaalsContact CD2-CG 3.47Å; F429-L437 HydrophobicContact CE1-CD1 3.95Å; F429-L437 HydrophobicContact CE1-CG 4.17Å; F429-L437 HydrophobicContact CE2-CB 4.35Å; F429-L437 HydrophobicContact CE2-CD1 4.34Å; F429-L437 HydrophobicContact CE2-CD2 4.47Å; F429-L437 HydrophobicContact CE2-CG 3.66Å; F429-L437 HydrophobicContact CG-CD1 3.67Å; F429-L437 HydrophobicContact CG-CD2 3.97Å; F429-L437 HydrophobicContact CG-CG 3.58Å; F429-L437 HydrophobicContact CZ-CD1 4.28Å; F429-L437 HydrophobicContact CZ-CG 4.01Å; L437-L447 HydrophobicContact CD1-CD2 4.06Å; L437-I449 HydrophobicContact CD1-CD1 4.46Å |
| 438 | I | 95.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 102.2 | 172.1 | -52.7 | 177.2 | 0 | 0 | 0 | 107.5 | L376 T384 L387 L388 V391 A404 A405 I406 L407 L436 | L376-I438 HydrophobicContact CB-CG1 4.48Å; L376-I438 HydrophobicContact CD2-CG1 4.33Å; L376-I438 HydrophobicContact CD2-CG2 4.4Å; L376-I438 CarbonylContact O-C 3.49Å; L376-I438 WeakPolarHBondContact O-CA 3.37Å; T384-I438 HydrophobicContact CG2-CG2 4.07Å; L387-I438 HydrophobicContact CB-CD1 4.15Å; L387-I438 HydrophobicContact CB-CG2 3.86Å; L387-I438 HydrophobicContact CD1-CG2 4.08Å; L388-I438 HydrophobicContact CB-CD1 4.03Å; L388-I438 HydrophobicContact CD1-CD1 4.2Å; V391-I438 HydrophobicContact CG2-CD1 4.11Å; A404-I438 HydrophobicContact CB-CD1 4.16Å; A405-I438 PolarHBondContact O-N 2.83Å; I406-I438 CarbonylContact C-O 3.57Å; I406-I438 VanDerWaalsContact CA-O 3.25Å; I406-I438 WeakPolarHBondContact CA-O 3.21Å; L407-I438 PolarHBondContact N-O 3.49Å; L436-I438 HydrophobicContact CD2-CG1 4.49Å; L436-I438 HydrophobicContact CG-CG1 4.39Å |
| 439 | S | 92.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.3 | -165.4 | -176 | 0 | 0 | 0 | 0 | 113.4 | L376 F377 S378 L407 A443 | L376-S439 PolarHBondContact O-N 3.15Å; F377-S439 CarbonylContact C-O 3.6Å; F377-S439 VanDerWaalsContact CA-O 3.3Å; F377-S439 WeakPolarHBondContact CA-O 3.44Å; S378-S439 PolarHBondContact N-O 2.82Å; L407-S439 VanDerWaalsContact O-CA 3.24Å; L407-S439 WeakPolarHBondContact O-CA 3.41Å; L407-S439 PolarHBondContact O-OG 3.23Å; L407-S439 VanDerWaalsContact O-OG 3.07Å; S439-A443 WeakPolarHBondContact OG-CB 2.86Å; S439-A443 PolarHBondContact OG-N 2.73Å |
| 440 | T | 89.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | trans | -80.1 | -166.4 | 157.5 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | F377 S378 R381 T384 L407 T408 V442 A443 | F377-T440 WeakPolarHBondContact CD1-O 3.36Å; S378-T440 WeakPolarHBondContact O-CA 3.19Å; R381-T440 HydrophobicContact CG-CG2 4.33Å; T384-T440 HydrophobicContact CG2-CG2 3.9Å; L407-T440 PolarHBondContact O-N 3.36Å; T408-T440 HydrophobicContact CG2-CG2 4.03Å; T440-V442 PolarHBondContact O-N 3.44Å; T440-A443 PolarHBondContact O-N 3.34Å | ||
| 441 | S | 85.6 | Confident | 85.6 | Confident | 70 Ų | 70 | 30.1 Ų | 30.1 | 49% | 0.49 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -59.5 | -4.2 | 176.4 | 58.4 | 0 | 0 | 0 | 0 | 115.6 | A443 E444 | S441-A443 VanDerWaalsContact C-N 3.27Å; S441-A443 PolarHBondContact O-N 3.11Å; S441-E444 VanDerWaalsContact CA-CD 3.46Å; S441-E444 VanDerWaalsContact CB-CD 3.49Å; S441-E444 WeakPolarHBondContact CB-OE2 3.32Å; S441-E444 WeakPolarHBondContact O-CB 3.36Å; S441-E444 PolarHBondContact O-N 3.27Å; S441-E444 VanDerWaalsContact O-N 3.17Å |
| 442 | V | 84.5 | Confident | 85.6 | Confident | 24 Ų | 24 | 24.8 Ų | 24.8 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -64.6 | -31.1 | -179 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | K59 T440 | K59-V442 PolarHBondContact NZ-O 2.94Å; T440-V442 PolarHBondContact O-N 3.44Å |
| 443 | A | 84.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -94.6 | -1.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F377 L407 S439 T440 S441 E445 L447 | F377-A443 HydrophobicContact CE1-CB 3.78Å; F377-A443 HydrophobicContact CZ-CB 4.11Å; L407-A443 HydrophobicContact CD2-CB 3.91Å; S439-A443 WeakPolarHBondContact OG-CB 2.86Å; S439-A443 PolarHBondContact OG-N 2.73Å; T440-A443 PolarHBondContact O-N 3.34Å; S441-A443 VanDerWaalsContact C-N 3.27Å; S441-A443 PolarHBondContact O-N 3.11Å; A443-E445 VanDerWaalsContact C-N 3.32Å; A443-E445 PolarHBondContact O-N 2.91Å; A443-L447 HydrophobicContact CB-CD2 3.81Å |
| 444 | E | 83.9 | Confident | 85.8 | Confident | 15 Ų | 15 | 19.7 Ų | 19.7 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -39 | -178.2 | -73.2 | 173.7 | 176.6 | 0 | 0 | 111.2 | F377 S441 Q469 A470 R473 | F377-E444 HydrophobicContact CD1-CG 3.87Å; F377-E444 HydrophobicContact CE1-CB 4.3Å; F377-E444 HydrophobicContact CE1-CG 3.51Å; F377-E444 HydrophobicContact CZ-CB 4.44Å; F377-E444 HydrophobicContact CZ-CG 3.89Å; S441-E444 VanDerWaalsContact CA-CD 3.46Å; S441-E444 VanDerWaalsContact CB-CD 3.49Å; S441-E444 WeakPolarHBondContact CB-OE2 3.32Å; S441-E444 WeakPolarHBondContact O-CB 3.36Å; S441-E444 PolarHBondContact O-N 3.27Å; S441-E444 VanDerWaalsContact O-N 3.17Å; E444-Q469 CarbonylContact O-C 3.51Å; E444-Q469 VanDerWaalsContact O-C 3.27Å; E444-Q469 WeakPolarHBondContact O-CB 3.48Å; E444-Q469 VanDerWaalsContact O-O 3.09Å; E444-A470 HydrophobicContact CG-CB 4.28Å; E444-R473 PolarHBondContact O-NE 2.9Å; E444-R473 PolarHBondContact O-NH2 2.89Å |
| 445 | E | 82.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 18.6 Ų | 18.6 | 8% | 0.084 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -116.3 | 147.4 | 179.9 | -69.2 | 173 | -157.5 | 0 | 0 | 111.3 | N58 K59 H138 H139 A443 L447 Q469 | N58-E445 PolarHBondContact ND2-OE2 2.97Å; K59-E445 PolarHBondContact NZ-O 3.44Å; H138-E445 IonicContact NE2-OE1 3Å; H138-E445 PolarHBondContact NE2-OE1 3.39Å; H139-E445 IonicContact CD2-OE2 2.65Å; H139-E445 IonicContact CE1-OE1 3.47Å; H139-E445 IonicContact CE1-OE2 3.45Å; H139-E445 IonicContact NE2-OE1 2.98Å; H139-E445 PolarHBondContact NE2-OE1 3.38Å; H139-E445 IonicContact NE2-OE2 3.52Å; H139-E445 PolarHBondContact NE2-OE2 2.96Å; A443-E445 VanDerWaalsContact C-N 3.32Å; A443-E445 PolarHBondContact O-N 2.91Å; E445-L447 PolarHBondContact O-N 3.16Å; E445-L447 VanDerWaalsContact O-N 3.15Å; E445-Q469 HydrophobicContact CG-CB 3.98Å; E445-Q469 HydrophobicContact CG-CG 3.81Å |
| 446 | G | 70.3 | Confident | 85.9 | Confident | 7 Ų | 7 | 17.4 Ų | 17.4 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 81.5 | -24 | 168 | 0 | 0 | 0 | 0 | 0 | 116.3 | L62 Q65 D448 | L62-G446 VanDerWaalsContact CD2-O 3.22Å; L62-G446 WeakPolarHBondContact CD2-O 3.48Å; Q65-G446 PolarHBondContact NE2-O 3.11Å; Q65-G446 PolarHBondContact OE1-O 2.67Å; G446-D448 PolarHBondContact O-N 3.33Å |
| 447 | L | 76.4 | Confident | 85.6 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | trans | -74 | 114.7 | -178.1 | -167.1 | 64.3 | 0 | 0 | 0 | 111.8 | I375 L407 I426 L437 A443 E445 I449 R473 | I375-L447 HydrophobicContact CD1-CD2 4.43Å; L407-L447 HydrophobicContact CD2-CD2 4.17Å; I426-L447 HydrophobicContact CB-CD1 4.35Å; I426-L447 HydrophobicContact CD1-CD1 3.75Å; I426-L447 HydrophobicContact CG1-CD1 3.76Å; I426-L447 HydrophobicContact CG2-CD1 3.64Å; L437-L447 HydrophobicContact CD1-CD2 4.06Å; A443-L447 HydrophobicContact CB-CD2 3.81Å; E445-L447 PolarHBondContact O-N 3.16Å; E445-L447 VanDerWaalsContact O-N 3.15Å; L447-I449 HydrophobicContact CD1-CD1 4.2Å; L447-I449 HydrophobicContact CD2-CD1 3.34Å; L447-I449 HydrophobicContact CD2-CG1 4.49Å; L447-I449 HydrophobicContact CG-CD1 3.46Å; L447-I449 VanDerWaalsContact CG-CD1 3.46Å; L447-I449 HydrophobicContact CG-CG1 4.13Å; L447-R473 WeakPolarHBondContact O-CD 3.46Å; L447-R473 PolarHBondContact O-NH1 2.88Å | ||
| 448 | D | 73.6 | Confident | 85.2 | Confident | 34 Ų | 34 | 17.5 Ų | 17.5 | 18% | 0.182 | 10% | 0.102 | C | C | . | . | trans | -98.4 | 107 | 178.3 | -179.6 | 48.5 | 0 | 0 | 0 | 112.2 | K69 R430 G446 R475 | K69-D448 IonicContact NZ-OD2 3.02Å; K69-D448 PolarHBondContact NZ-OD2 3Å; R430-D448 PolarHBondContact NE-O 2.7Å; R430-D448 PolarHBondContact NH2-O 2.91Å; G446-D448 PolarHBondContact O-N 3.33Å; D448-R475 IonicContact OD1-CZ 2.61Å; D448-R475 IonicContact OD1-NH1 3.34Å; D448-R475 PolarHBondContact OD1-NH1 3.38Å; D448-R475 IonicContact OD1-NH2 3.23Å | ||
| 449 | I | 76.1 | Confident | 84.1 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -138.4 | 94 | 177.2 | -58 | 147.5 | 0 | 0 | 0 | 108.7 | I375 F429 R430 L437 L447 E451 C452 | I375-I449 HydrophobicContact CD1-CD1 4.37Å; F429-I449 HydrophobicContact CD1-CD1 3.5Å; F429-I449 VanDerWaalsContact CD1-CD1 3.5Å; F429-I449 HydrophobicContact CD1-CG1 4.11Å; F429-I449 HydrophobicContact CD1-CG2 4.25Å; F429-I449 HydrophobicContact CE1-CD1 3.54Å; F429-I449 HydrophobicContact CE1-CG1 4.27Å; F429-I449 HydrophobicContact CE1-CG2 3.93Å; R430-I449 HydrophobicContact CG-CG1 4.3Å; L437-I449 HydrophobicContact CD1-CD1 4.46Å; L447-I449 HydrophobicContact CD1-CD1 4.2Å; L447-I449 HydrophobicContact CD2-CD1 3.34Å; L447-I449 HydrophobicContact CD2-CG1 4.49Å; L447-I449 HydrophobicContact CG-CD1 3.46Å; L447-I449 VanDerWaalsContact CG-CD1 3.46Å; L447-I449 HydrophobicContact CG-CG1 4.13Å; I449-E451 VanDerWaalsContact C-N 3.27Å; I449-E451 PolarHBondContact O-N 3.08Å; I449-C452 HydrophobicContact CB-CB 4.26Å; I449-C452 HydrophobicContact CG2-CB 3.99Å; I449-C452 WeakPolarHBondContact O-CB 3.42Å; I449-C452 PolarHBondContact O-N 3.2Å | ||
| 450 | P | 74.9 | Confident | 83.6 | Confident | 68 Ų | 68 | 18.8 Ų | 18.8 | 44% | 0.442 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -33.1 | -178.8 | -26.7 | 36.1 | 0 | 0 | 0 | 114.5 | C452 A476 | P450-C452 VanDerWaalsContact C-N 3.26Å; P450-C452 PolarHBondContact O-N 3.49Å; P450-A476 PolarHBondContact O-N 3.33Å |
| 451 | E | 82.4 | Confident | 83.2 | Confident | 86 Ų | 86 | 21.4 Ų | 21.4 | 40% | 0.402 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.3 | -174.8 | -52.8 | 87 | 167.4 | 0 | 0 | 113.6 | R373 I449 N453 | R373-E451 IonicContact NH2-OE1 3.4Å; I449-E451 VanDerWaalsContact C-N 3.27Å; I449-E451 PolarHBondContact O-N 3.08Å; E451-N453 PolarHBondContact O-N 3.38Å |
| 452 | C | 88.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -69.2 | 117.8 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | R373 I449 P450 R473 A474 R475 A476 | R373-C452 WeakPolarHBondContact O-CA 3.24Å; R373-C452 PolarHBondContact O-SG 3.05Å; I449-C452 HydrophobicContact CB-CB 4.26Å; I449-C452 HydrophobicContact CG2-CB 3.99Å; I449-C452 WeakPolarHBondContact O-CB 3.42Å; I449-C452 PolarHBondContact O-N 3.2Å; P450-C452 VanDerWaalsContact C-N 3.26Å; P450-C452 PolarHBondContact O-N 3.49Å; C452-R473 WeakPolarHBondContact CB-O 3.24Å; C452-R473 PolarHBondContact SG-O 3.28Å; C452-A474 WeakPolarHBondContact O-CA 3.39Å; C452-R475 PolarHBondContact O-N 3.28Å; C452-A476 PolarHBondContact O-N 2.71Å | ||
| 453 | N | 90.4 | Very high | 83.3 | Confident | 23 Ų | 23 | 21.5 Ų | 21.5 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | trans | -115.2 | -8.5 | -176.1 | 69.1 | -21.6 | 0 | 0 | 0 | 113.6 | S372 R373 E451 A476 S479 Q480 | S372-N453 PolarHBondContact OG-ND2 3.48Å; R373-N453 PolarHBondContact N-OD1 2.8Å; R373-N453 PolarHBondContact O-N 3.11Å; R373-N453 PolarHBondContact O-OD1 3.42Å; E451-N453 PolarHBondContact O-N 3.38Å; N453-A476 HydrophobicContact CB-CB 3.79Å; N453-S479 CarbonylContact O-C 3.58Å; N453-S479 WeakPolarHBondContact O-CA 3.28Å; N453-S479 WeakPolarHBondContact O-CB 3.45Å; N453-Q480 PolarHBondContact O-N 2.65Å | ||
| 454 | L | 93.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.5 | 174.1 | 177 | 63.5 | 0 | 0 | 0 | 111.5 | T361 L362 Q365 F366 R373 G374 I375 V456 Q480 | T361-L454 HydrophobicContact CG2-CD1 4.42Å; L362-L454 HydrophobicContact CD2-CD2 4.04Å; Q365-L454 HydrophobicContact CB-CB 4.43Å; Q365-L454 HydrophobicContact CB-CD2 3.98Å; Q365-L454 HydrophobicContact CG-CB 4.27Å; Q365-L454 HydrophobicContact CG-CD1 4.11Å; Q365-L454 HydrophobicContact CG-CD2 4.04Å; Q365-L454 HydrophobicContact CG-CG 4.34Å; F366-L454 HydrophobicContact CE2-CD2 4.02Å; R373-L454 PolarHBondContact O-N 2.86Å; G374-L454 CarbonylContact C-O 3.57Å; G374-L454 VanDerWaalsContact CA-O 3.24Å; G374-L454 WeakPolarHBondContact CA-O 3Å; I375-L454 PolarHBondContact N-O 3.36Å; L454-V456 HydrophobicContact CD1-CG2 3.79Å; L454-V456 HydrophobicContact CD2-CG2 3.8Å; L454-V456 HydrophobicContact CG-CG2 3.77Å; L454-Q480 WeakPolarHBondContact CA-O 3.47Å; L454-Q480 HydrophobicContact CD1-CB 4.05Å; L454-Q480 HydrophobicContact CD1-CG 4.32Å |
| 455 | V | 94.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.5 | 164.2 | 171.8 | 0 | 0 | 0 | 0 | 108.5 | I375 F377 R457 R473 A474 Q480 Y481 S482 | I375-V455 CarbonylContact O-C 3.52Å; I375-V455 WeakPolarHBondContact O-CA 3.25Å; F377-V455 HydrophobicContact CD2-CG1 3.87Å; F377-V455 HydrophobicContact CE2-CG1 3.86Å; V455-R457 HydrophobicContact CG1-CG 4.49Å; V455-R473 HydrophobicContact CG2-CB 3.92Å; V455-A474 HydrophobicContact CB-CB 4.32Å; V455-A474 HydrophobicContact CG2-CB 3.75Å; V455-Q480 PolarHBondContact N-O 3.39Å; V455-Y481 HydrophobicContact CB-CD2 3.99Å; V455-Y481 HydrophobicContact CG1-CD2 3.72Å; V455-Y481 HydrophobicContact CG1-CE2 3.99Å; V455-Y481 CarbonylContact O-C 3.55Å; V455-Y481 WeakPolarHBondContact O-CA 3.4Å; V455-S482 PolarHBondContact O-N 2.96Å |
| 456 | V | 94.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.2 | 175.3 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | L358 T361 I375 L376 F377 L454 S482 V484 | L358-V456 HydrophobicContact CD1-CG1 3.77Å; T361-V456 HydrophobicContact CG2-CG2 3.97Å; I375-V456 PolarHBondContact O-N 2.84Å; L376-V456 HydrophobicContact CD1-CB 3.79Å; L376-V456 HydrophobicContact CD1-CG1 3.79Å; F377-V456 PolarHBondContact N-O 3.38Å; L454-V456 HydrophobicContact CD1-CG2 3.79Å; L454-V456 HydrophobicContact CD2-CG2 3.8Å; L454-V456 HydrophobicContact CG-CG2 3.77Å; V456-S482 WeakPolarHBondContact CA-O 3.39Å; V456-V484 HydrophobicContact CG1-CG2 3.9Å |
| 457 | R | 90.9 | Very high | 85 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 110.8 | 172.1 | -68.2 | -171.9 | 74.9 | -145.7 | -11.2 | 109.8 | V455 L460 T462 Y481 S482 V484 E495 | V455-R457 HydrophobicContact CG1-CG 4.49Å; R457-L460 HydrophobicContact CB-CD1 4.06Å; R457-L460 HydrophobicContact CG-CD1 4.18Å; R457-T462 VanDerWaalsContact NH2-CG2 3.26Å; R457-T462 PolarHBondContact NH2-OG1 3.04Å; R457-Y481 VanDerWaalsContact CD-CZ 3.45Å; R457-Y481 WeakPolarHBondContact CD-OH 3.31Å; R457-Y481 HydrophobicContact CG-CE2 3.95Å; R457-Y481 PolarHBondContact NH1-OH 3.16Å; R457-Y481 VanDerWaalsContact NH1-OH 3.09Å; R457-S482 PolarHBondContact N-O 3.26Å; R457-V484 PolarHBondContact O-N 2.87Å; R457-E495 IonicContact CZ-OE2 3.77Å; R457-E495 IonicContact NH1-OE1 3.69Å; R457-E495 IonicContact NH1-OE2 3.42Å; R457-E495 PolarHBondContact NH1-OE2 3.37Å |
| 458 | Y | 86 | Confident | 85.5 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 105.7 | -168.6 | -167.8 | -100.6 | 0 | 0 | 0 | 111.5 | T301 L302 K354 M355 L358 L376 F377 L387 L460 V484 | T301-Y458 HydrophobicContact CG2-CD1 3.97Å; T301-Y458 HydrophobicContact CG2-CE1 3.79Å; T301-Y458 WeakPolarHBondContact O-CE1 3.03Å; T301-Y458 VanDerWaalsContact O-CZ 3.27Å; T301-Y458 PolarHBondContact O-OH 2.9Å; L302-Y458 HydrophobicContact CD2-CE1 3.87Å; K354-Y458 VanDerWaalsContact C-OH 3.28Å; K354-Y458 HydrophobicContact CB-CE2 4.02Å; K354-Y458 VanDerWaalsContact CB-OH 3.28Å; K354-Y458 WeakPolarHBondContact CB-OH 3.27Å; K354-Y458 WeakPolarHBondContact O-CE2 3.06Å; K354-Y458 PolarHBondContact O-OH 3.32Å; M355-Y458 PolarHBondContact N-OH 2.92Å; M355-Y458 HydrophobicContact SD-CE1 4.46Å; M355-Y458 PolarHBondContact SD-OH 3.33Å; L358-Y458 HydrophobicContact CB-CD2 4.2Å; L358-Y458 HydrophobicContact CB-CE2 3.76Å; L358-Y458 HydrophobicContact CD1-CD2 4.2Å; L358-Y458 HydrophobicContact CD2-CD2 3.91Å; L358-Y458 HydrophobicContact CD2-CE2 3.8Å; L358-Y458 HydrophobicContact CD2-CG 4.36Å; L358-Y458 HydrophobicContact CG-CD2 4.33Å; L358-Y458 HydrophobicContact CG-CE2 4.25Å; L376-Y458 HydrophobicContact CD1-CG 4.35Å; F377-Y458 PolarHBondContact O-N 2.94Å; L387-Y458 HydrophobicContact CD1-CD1 4.47Å; L387-Y458 HydrophobicContact CD2-CE1 4.36Å; Y458-L460 VanDerWaalsContact C-N 3.3Å; Y458-L460 PolarHBondContact O-N 3.44Å; Y458-V484 HydrophobicContact CD2-CB 3.82Å; Y458-V484 HydrophobicContact CD2-CG1 4.02Å; Y458-V484 HydrophobicContact CD2-CG2 4.25Å; Y458-V484 HydrophobicContact CE2-CB 4.16Å; Y458-V484 HydrophobicContact CE2-CG1 3.81Å |
| 459 | G | 73.9 | Confident | 86.2 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 65.2 | 30.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 460 | L | 80.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 20.6 Ų | 20.6 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | trans | -98.1 | 134.1 | -174.4 | -66.8 | -179.9 | 0 | 0 | 0 | 112.8 | F377 R379 R457 Y458 T462 | F377-L460 HydrophobicContact CB-CD1 3.44Å; F377-L460 VanDerWaalsContact CB-CD1 3.44Å; R379-L460 HydrophobicContact CB-CD2 3.81Å; R379-L460 VanDerWaalsContact N-CD2 3.34Å; R457-L460 HydrophobicContact CB-CD1 4.06Å; R457-L460 HydrophobicContact CG-CD1 4.18Å; Y458-L460 VanDerWaalsContact C-N 3.3Å; Y458-L460 PolarHBondContact O-N 3.44Å; L460-T462 HydrophobicContact CB-CG2 4.43Å | ||
| 461 | L | 80.9 | Confident | 87.3 | Confident | 65 Ų | 65 | 18.7 Ų | 18.7 | 34% | 0.34 | 10% | 0.103 | S | C | . | . | trans | -120.3 | 87.4 | 171.5 | -61.8 | 173.6 | 0 | 0 | 0 | 108.3 | R490 E491 R494 | L461-R490 HydrophobicContact CD1-CB 4.31Å; L461-R490 HydrophobicContact CD2-CB 4.15Å; L461-R490 WeakPolarHBondContact CD2-O 3.43Å; L461-E491 HydrophobicContact CD2-CB 4.36Å; L461-E491 HydrophobicContact CD2-CG 4.17Å; L461-R494 HydrophobicContact CD2-CB 3.64Å; L461-R494 HydrophobicContact CD2-CG 4.05Å | ||
| 462 | T | 85.4 | Confident | 87.4 | Confident | 27 Ų | 27 | 15.2 Ų | 15.2 | 17% | 0.166 | 9% | 0.09 | C | C | . | . | trans | -114.5 | 178.7 | 179.7 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | R457 L460 A466 R494 N498 | R457-T462 VanDerWaalsContact NH2-CG2 3.26Å; R457-T462 PolarHBondContact NH2-OG1 3.04Å; L460-T462 HydrophobicContact CB-CG2 4.43Å; T462-A466 HydrophobicContact CG2-CB 4.24Å; T462-R494 PolarHBondContact O-NE 2.87Å; T462-R494 PolarHBondContact O-NH2 2.83Å; T462-R494 VanDerWaalsContact O-NH2 3.14Å; T462-N498 PolarHBondContact O-ND2 2.55Å; T462-N498 VanDerWaalsContact O-ND2 3.1Å; T462-N498 PolarHBondContact O-OD1 2.83Å | ||
| 463 | N | 87.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 15.7 Ų | 15.7 | 37% | 0.369 | 9% | 0.092 | S | C | . | . | trans | -78.7 | 172.1 | 168.3 | 67.3 | 3.2 | 0 | 0 | 0 | 112.6 | I465 A466 Q467 | N463-I465 VanDerWaalsContact C-N 3.3Å; N463-I465 PolarHBondContact O-N 3.45Å; N463-A466 PolarHBondContact O-N 3.11Å; N463-A466 WeakPolarHBondContact OD1-CB 3.38Å; N463-A466 PolarHBondContact OD1-N 3.13Å; N463-Q467 PolarHBondContact O-N 3.4Å; N463-Q467 VanDerWaalsContact O-N 3.11Å | ||
| 464 | E | 90.6 | Very high | 87 | Confident | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.4 | -35.9 | 179.6 | 73.2 | -70.4 | 174 | 0 | 0 | 112.3 | G175 T176 Q467 Q468 N498 L501 | G175-E464 WeakPolarHBondContact CA-OE1 3.39Å; T176-E464 PolarHBondContact N-OE1 3.21Å; E464-Q467 WeakPolarHBondContact O-CB 3.23Å; E464-Q467 PolarHBondContact O-N 2.84Å; E464-Q468 WeakPolarHBondContact O-CB 3.45Å; E464-Q468 PolarHBondContact O-N 2.88Å; E464-N498 HydrophobicContact CB-CB 4.16Å; E464-N498 PolarHBondContact N-OD1 3.34Å; E464-L501 HydrophobicContact CB-CB 3.9Å; E464-L501 HydrophobicContact CG-CB 3.97Å |
| 465 | I | 89.1 | Confident | 86.2 | Confident | 16 Ų | 16 | 17.5 Ų | 17.5 | 8% | 0.082 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.8 | -52.1 | 176.9 | -58 | 178.3 | 0 | 0 | 0 | 110 | N463 Q467 Q468 Q469 | N463-I465 VanDerWaalsContact C-N 3.3Å; N463-I465 PolarHBondContact O-N 3.45Å; I465-Q467 VanDerWaalsContact C-N 3.29Å; I465-Q467 PolarHBondContact O-N 2.92Å; I465-Q468 PolarHBondContact O-N 3.45Å; I465-Q469 HydrophobicContact CG2-CG 4.13Å; I465-Q469 WeakPolarHBondContact O-CB 3.41Å; I465-Q469 WeakPolarHBondContact O-CG 3.33Å; I465-Q469 PolarHBondContact O-N 3.17Å |
| 466 | A | 87.8 | Confident | 85.6 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T462 N463 A470 | T462-A466 HydrophobicContact CG2-CB 4.24Å; N463-A466 PolarHBondContact O-N 3.11Å; N463-A466 WeakPolarHBondContact OD1-CB 3.38Å; N463-A466 PolarHBondContact OD1-N 3.13Å; A466-A470 WeakPolarHBondContact O-CB 3.36Å; A466-A470 PolarHBondContact O-N 3.49Å |
| 467 | Q | 88.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -53.2 | 172.1 | 169.8 | 177.7 | -48.2 | 0 | 0 | 111.3 | N463 E464 I465 Q469 A470 S471 Y481 E495 N498 | N463-Q467 PolarHBondContact O-N 3.4Å; N463-Q467 VanDerWaalsContact O-N 3.11Å; E464-Q467 WeakPolarHBondContact O-CB 3.23Å; E464-Q467 PolarHBondContact O-N 2.84Å; I465-Q467 VanDerWaalsContact C-N 3.29Å; I465-Q467 PolarHBondContact O-N 2.92Å; Q467-Q469 VanDerWaalsContact C-N 3.32Å; Q467-Q469 PolarHBondContact O-N 3.1Å; Q467-A470 PolarHBondContact O-N 2.79Å; Q467-S471 VanDerWaalsContact O-CB 3.32Å; Q467-S471 WeakPolarHBondContact O-CB 3.42Å; Q467-S471 PolarHBondContact O-N 3.39Å; Q467-Y481 WeakPolarHBondContact CG-OH 3.46Å; Q467-E495 WeakPolarHBondContact CG-OE1 3.35Å; Q467-E495 PolarHBondContact OE1-OE1 2.87Å; Q467-E495 PolarHBondContact OE1-OE2 3.16Å; Q467-E495 VanDerWaalsContact OE1-OE2 3.13Å; Q467-N498 PolarHBondContact OE1-ND2 3.21Å |
| 468 | Q | 86.9 | Confident | 84.3 | Confident | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | -176.8 | -166.6 | -174.7 | -19.3 | 0 | 0 | 111.5 | A172 S173 E464 I465 G472 | A172-Q468 PolarHBondContact O-NE2 2.83Å; S173-Q468 PolarHBondContact OG-OE1 2.94Å; E464-Q468 WeakPolarHBondContact O-CB 3.45Å; E464-Q468 PolarHBondContact O-N 2.88Å; I465-Q468 PolarHBondContact O-N 3.45Å; Q468-G472 PolarHBondContact O-N 3.16Å |
| 469 | Q | 88.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 177.4 | -70.9 | -72.9 | 4.9 | 0 | 0 | 112.3 | T29 E136 E444 E445 I465 Q467 G472 R473 | T29-Q469 PolarHBondContact OG1-OE1 2.89Å; E136-Q469 PolarHBondContact OE1-NE2 2.95Å; E136-Q469 PolarHBondContact OE2-NE2 3.49Å; E444-Q469 CarbonylContact O-C 3.51Å; E444-Q469 VanDerWaalsContact O-C 3.27Å; E444-Q469 WeakPolarHBondContact O-CB 3.48Å; E444-Q469 VanDerWaalsContact O-O 3.09Å; E445-Q469 HydrophobicContact CG-CB 3.98Å; E445-Q469 HydrophobicContact CG-CG 3.81Å; I465-Q469 HydrophobicContact CG2-CG 4.13Å; I465-Q469 WeakPolarHBondContact O-CB 3.41Å; I465-Q469 WeakPolarHBondContact O-CG 3.33Å; I465-Q469 PolarHBondContact O-N 3.17Å; Q467-Q469 VanDerWaalsContact C-N 3.32Å; Q467-Q469 PolarHBondContact O-N 3.1Å; Q469-G472 PolarHBondContact O-N 2.73Å; Q469-R473 PolarHBondContact O-NE 2.82Å; Q469-R473 VanDerWaalsContact O-NE 3.11Å |
| 470 | A | 86.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F377 E444 A466 Q467 G472 R473 | F377-A470 HydrophobicContact CD2-CB 4.21Å; F377-A470 HydrophobicContact CE2-CB 3.88Å; F377-A470 HydrophobicContact CZ-CB 4.46Å; E444-A470 HydrophobicContact CG-CB 4.28Å; A466-A470 WeakPolarHBondContact O-CB 3.36Å; A466-A470 PolarHBondContact O-N 3.49Å; Q467-A470 PolarHBondContact O-N 2.79Å; A470-G472 VanDerWaalsContact C-N 3.28Å; A470-G472 PolarHBondContact O-N 3.43Å; A470-R473 WeakPolarHBondContact O-CB 3.1Å; A470-R473 WeakPolarHBondContact O-CG 3.48Å; A470-R473 PolarHBondContact O-N 2.96Å |
| 471 | S | 86.6 | Confident | 85.8 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.7 | -43.8 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | P217 Q467 R473 A474 | P217-S471 VanDerWaalsContact CG-OG 3.26Å; P217-S471 WeakPolarHBondContact CG-OG 3.42Å; Q467-S471 VanDerWaalsContact O-CB 3.32Å; Q467-S471 WeakPolarHBondContact O-CB 3.42Å; Q467-S471 PolarHBondContact O-N 3.39Å; S471-R473 PolarHBondContact O-N 3.06Å; S471-A474 PolarHBondContact O-N 2.85Å |
| 472 | G | 84.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 1.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T29 Q468 Q469 A470 R475 | T29-G472 VanDerWaalsContact CG2-O 3.27Å; T29-G472 WeakPolarHBondContact CG2-O 3.3Å; Q468-G472 PolarHBondContact O-N 3.16Å; Q469-G472 PolarHBondContact O-N 2.73Å; A470-G472 VanDerWaalsContact C-N 3.28Å; A470-G472 PolarHBondContact O-N 3.43Å; G472-R475 VanDerWaalsContact O-CG 3.28Å; G472-R475 WeakPolarHBondContact O-CG 3.34Å; G472-R475 PolarHBondContact O-NE 3.27Å |
| 473 | R | 86.3 | Confident | 86.6 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.038 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -28.4 | 168.5 | -54 | -60 | 135.6 | -156 | -5.1 | 112 | I375 E444 L447 C452 V455 Q469 A470 S471 R475 | I375-R473 HydrophobicContact CD1-CB 3.96Å; I375-R473 HydrophobicContact CD1-CG 4.36Å; E444-R473 PolarHBondContact O-NE 2.9Å; E444-R473 PolarHBondContact O-NH2 2.89Å; L447-R473 WeakPolarHBondContact O-CD 3.46Å; L447-R473 PolarHBondContact O-NH1 2.88Å; C452-R473 WeakPolarHBondContact CB-O 3.24Å; C452-R473 PolarHBondContact SG-O 3.28Å; V455-R473 HydrophobicContact CG2-CB 3.92Å; Q469-R473 PolarHBondContact O-NE 2.82Å; Q469-R473 VanDerWaalsContact O-NE 3.11Å; A470-R473 WeakPolarHBondContact O-CB 3.1Å; A470-R473 WeakPolarHBondContact O-CG 3.48Å; A470-R473 PolarHBondContact O-N 2.96Å; S471-R473 PolarHBondContact O-N 3.06Å; R473-R475 PolarHBondContact O-N 2.87Å |
| 474 | A | 85 | Confident | 86.6 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | trans | -78.8 | 102.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | P217 C452 V455 S471 | P217-A474 HydrophobicContact CB-CB 3.83Å; P217-A474 HydrophobicContact CG-CB 4.13Å; C452-A474 WeakPolarHBondContact O-CA 3.39Å; V455-A474 HydrophobicContact CB-CB 4.32Å; V455-A474 HydrophobicContact CG2-CB 3.75Å; S471-A474 PolarHBondContact O-N 2.85Å | ||
| 475 | R | 76.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 29 Ų | 29 | 22% | 0.223 | 14% | 0.142 | C | C | . | . | trans | -123.7 | -14.3 | -173.4 | -59.7 | -171.6 | -163 | 162.5 | 12.2 | 114.2 | D448 C452 G472 R473 | D448-R475 IonicContact OD1-CZ 2.61Å; D448-R475 IonicContact OD1-NH1 3.34Å; D448-R475 PolarHBondContact OD1-NH1 3.38Å; D448-R475 IonicContact OD1-NH2 3.23Å; C452-R475 PolarHBondContact O-N 3.28Å; G472-R475 VanDerWaalsContact O-CG 3.28Å; G472-R475 WeakPolarHBondContact O-CG 3.34Å; G472-R475 PolarHBondContact O-NE 3.27Å; R473-R475 PolarHBondContact O-N 2.87Å | ||
| 476 | A | 81.3 | Confident | 86.3 | Confident | 22 Ų | 22 | 30 Ų | 30 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -60.8 | 153.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P450 C452 N453 S479 | P450-A476 PolarHBondContact O-N 3.33Å; C452-A476 PolarHBondContact O-N 2.71Å; N453-A476 HydrophobicContact CB-CB 3.79Å; A476-S479 WeakPolarHBondContact O-CB 3.42Å; A476-S479 PolarHBondContact O-N 3.27Å; A476-S479 PolarHBondContact O-OG 3.09Å |
| 477 | R | 75.2 | Confident | 86.2 | Confident | 214 Ų | 214 | 35.5 Ų | 35.5 | 81% | 0.808 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 145.4 | 167.2 | -70.4 | -175.7 | 176.8 | -176.9 | -2.1 | 108.9 | S479 | R477-S479 PolarHBondContact O-N 2.79Å; R477-S479 VanDerWaalsContact O-N 3.17Å |
| 478 | D | 81.6 | Confident | 86 | Confident | 158 Ų | 158 | 37.6 Ų | 37.6 | 85% | 0.845 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 25.1 | -177.8 | -47.9 | -47.7 | 0 | 0 | 0 | 114 | ||
| 479 | S | 88.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -71.4 | 146.2 | 178.8 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | P217 Q218 N453 A476 R477 | P217-S479 CarbonylContact C-O 3.4Å; P217-S479 WeakPolarHBondContact CA-O 3.3Å; P217-S479 WeakPolarHBondContact CB-O 3.38Å; Q218-S479 PolarHBondContact N-O 2.76Å; N453-S479 CarbonylContact O-C 3.58Å; N453-S479 WeakPolarHBondContact O-CA 3.28Å; N453-S479 WeakPolarHBondContact O-CB 3.45Å; A476-S479 WeakPolarHBondContact O-CB 3.42Å; A476-S479 PolarHBondContact O-N 3.27Å; A476-S479 PolarHBondContact O-OG 3.09Å; R477-S479 PolarHBondContact O-N 2.79Å; R477-S479 VanDerWaalsContact O-N 3.17Å | ||
| 480 | Q | 91.6 | Very high | 85.5 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 16% | 0.159 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.4 | -177 | -171.7 | 177 | 14 | 0 | 0 | 111.1 | T220 N453 L454 V455 | T220-Q480 HydrophobicContact CG2-CG 4.43Å; T220-Q480 PolarHBondContact OG1-NE2 3.45Å; N453-Q480 PolarHBondContact O-N 2.65Å; L454-Q480 WeakPolarHBondContact CA-O 3.47Å; L454-Q480 HydrophobicContact CD1-CB 4.05Å; L454-Q480 HydrophobicContact CD1-CG 4.32Å; V455-Q480 PolarHBondContact N-O 3.39Å |
| 481 | Y | 92.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 105.7 | 169 | 174.7 | -93.3 | 0 | 0 | 0 | 108.8 | Q218 K219 T220 V455 R457 Q467 V483 E495 | Q218-Y481 PolarHBondContact O-N 2.98Å; K219-Y481 CarbonylContact C-O 3.52Å; K219-Y481 VanDerWaalsContact CA-O 3.3Å; K219-Y481 WeakPolarHBondContact CA-O 3.36Å; K219-Y481 HydrophobicContact CB-CD1 4.21Å; K219-Y481 HydrophobicContact CD-CD1 3.89Å; K219-Y481 HydrophobicContact CD-CE1 3.93Å; K219-Y481 HydrophobicContact CG-CD1 3.81Å; K219-Y481 HydrophobicContact CG-CE1 4.25Å; T220-Y481 PolarHBondContact N-O 3Å; V455-Y481 HydrophobicContact CB-CD2 3.99Å; V455-Y481 HydrophobicContact CG1-CD2 3.72Å; V455-Y481 HydrophobicContact CG1-CE2 3.99Å; V455-Y481 CarbonylContact O-C 3.55Å; V455-Y481 WeakPolarHBondContact O-CA 3.4Å; R457-Y481 VanDerWaalsContact CD-CZ 3.45Å; R457-Y481 WeakPolarHBondContact CD-OH 3.31Å; R457-Y481 HydrophobicContact CG-CE2 3.95Å; R457-Y481 PolarHBondContact NH1-OH 3.16Å; R457-Y481 VanDerWaalsContact NH1-OH 3.09Å; Q467-Y481 WeakPolarHBondContact CG-OH 3.46Å; Y481-V483 HydrophobicContact CD1-CG2 4.26Å; Y481-V483 HydrophobicContact CE1-CG2 3.59Å; Y481-E495 WeakPolarHBondContact CE1-OE1 3.38Å; Y481-E495 PolarHBondContact OH-OE1 3.3Å |
| 482 | S | 92.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.2 | -174.6 | 164.9 | 0 | 0 | 0 | 0 | 111.4 | D222 V455 V456 R457 | D222-S482 WeakPolarHBondContact OD2-CB 3.44Å; D222-S482 PolarHBondContact OD2-OG 3.29Å; V455-S482 PolarHBondContact O-N 2.96Å; V456-S482 WeakPolarHBondContact CA-O 3.39Å; R457-S482 PolarHBondContact N-O 3.26Å |
| 483 | V | 90.6 | Very high | 85.6 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 104 | 172.1 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | T220 F221 D222 Y481 A485 E495 | T220-V483 PolarHBondContact O-N 3Å; F221-V483 HydrophobicContact CD1-CB 4.28Å; D222-V483 PolarHBondContact N-O 3.42Å; Y481-V483 HydrophobicContact CD1-CG2 4.26Å; Y481-V483 HydrophobicContact CE1-CG2 3.59Å; V483-A485 HydrophobicContact CG1-CB 4.45Å; V483-E495 HydrophobicContact CG1-CG 4.47Å; V483-E495 HydrophobicContact CG2-CG 4.08Å |
| 484 | V | 88.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.3 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | D222 K354 K357 V456 R457 Y458 | D222-V484 HydrophobicContact CB-CG2 4.05Å; K354-V484 HydrophobicContact CB-CG1 4.3Å; K357-V484 HydrophobicContact CB-CG1 4.31Å; K357-V484 HydrophobicContact CG-CG1 4.24Å; V456-V484 HydrophobicContact CG1-CG2 3.9Å; R457-V484 PolarHBondContact O-N 2.87Å; Y458-V484 HydrophobicContact CD2-CB 3.82Å; Y458-V484 HydrophobicContact CD2-CG1 4.02Å; Y458-V484 HydrophobicContact CD2-CG2 4.25Å; Y458-V484 HydrophobicContact CE2-CB 4.16Å; Y458-V484 HydrophobicContact CE2-CG1 3.81Å |
| 485 | A | 86.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 159.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D222 I223 V224 V483 E491 I492 | D222-A485 PolarHBondContact O-N 2.84Å; D222-A485 VanDerWaalsContact O-N 3.15Å; I223-A485 CarbonylContact C-O 2.96Å; I223-A485 VanDerWaalsContact CA-O 3.31Å; I223-A485 WeakPolarHBondContact CA-O 3.44Å; V224-A485 PolarHBondContact N-O 3.2Å; V483-A485 HydrophobicContact CG1-CB 4.45Å; A485-E491 HydrophobicContact CB-CB 3.79Å; A485-I492 HydrophobicContact CB-CD1 4.1Å; A485-I492 HydrophobicContact CB-CG1 3.4Å; A485-I492 VanDerWaalsContact CB-CG1 3.4Å |
| 486 | Q | 86.6 | Confident | 86.6 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 144.2 | 174.8 | -172.5 | -179 | -41.2 | 0 | 0 | 111.1 | V224 G488 G489 I492 | V224-Q486 HydrophobicContact CG2-CB 4.48Å; V224-Q486 CarbonylContact O-C 3.59Å; V224-Q486 WeakPolarHBondContact O-CA 3.24Å; Q486-G488 PolarHBondContact O-N 3.48Å; Q486-G489 WeakPolarHBondContact O-CA 3.36Å; Q486-G489 PolarHBondContact O-N 2.79Å; Q486-I492 WeakPolarHBondContact O-CD1 3.3Å |
| 487 | K | 87 | Confident | 87.1 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 126.5 | 175.1 | -169.4 | 179.1 | -172.8 | 178 | 0 | 111.3 | I223 V224 E225 G489 | I223-K487 HydrophobicContact CG2-CB 3.63Å; I223-K487 HydrophobicContact CG2-CG 4.17Å; V224-K487 PolarHBondContact O-N 3.33Å; E225-K487 WeakPolarHBondContact OE1-CD 3.34Å; E225-K487 IonicContact OE1-NZ 2.76Å; E225-K487 PolarHBondContact OE1-NZ 3.01Å; E225-K487 VanDerWaalsContact OE2-CD 3.29Å; E225-K487 WeakPolarHBondContact OE2-CD 3.41Å; E225-K487 IonicContact OE2-NZ 3.83Å; K487-G489 PolarHBondContact O-N 3.13Å; K487-G489 VanDerWaalsContact O-N 3.12Å |
| 488 | G | 83.5 | Confident | 87.9 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 52% | 0.515 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 3.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q486 | Q486-G488 PolarHBondContact O-N 3.48Š|
| 489 | G | 83 | Confident | 88.4 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | trans | -67.8 | 168.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q486 K487 E491 | Q486-G489 WeakPolarHBondContact O-CA 3.36Å; Q486-G489 PolarHBondContact O-N 2.79Å; K487-G489 PolarHBondContact O-N 3.13Å; K487-G489 VanDerWaalsContact O-N 3.12Å; G489-E491 VanDerWaalsContact C-N 3.27Å; G489-E491 PolarHBondContact O-N 2.79Å | ||
| 490 | R | 82.7 | Confident | 88.7 | Confident | 99 Ų | 99 | 47.2 Ų | 47.2 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.3 | -30.9 | -177.3 | -68.2 | -175.6 | -75.9 | -169 | -7.8 | 111.7 | E262 L461 R494 | E262-R490 IonicContact OE1-NH1 3.46Å; E262-R490 IonicContact OE2-NH1 3.55Å; E262-R490 PolarHBondContact OE2-NH1 3Å; L461-R490 HydrophobicContact CD1-CB 4.31Å; L461-R490 HydrophobicContact CD2-CB 4.15Å; L461-R490 WeakPolarHBondContact CD2-O 3.43Å; R490-R494 VanDerWaalsContact O-CB 3.29Å; R490-R494 WeakPolarHBondContact O-CB 3.42Å; R490-R494 PolarHBondContact O-N 2.73Å |
| 491 | E | 83.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | -177.6 | -55.5 | 95 | 133.4 | 0 | 0 | 111.3 | K354 L461 A485 G489 R494 E495 | K354-E491 IonicContact NZ-OE1 2.68Å; K354-E491 PolarHBondContact NZ-OE1 3.38Å; L461-E491 HydrophobicContact CD2-CB 4.36Å; L461-E491 HydrophobicContact CD2-CG 4.17Å; A485-E491 HydrophobicContact CB-CB 3.79Å; G489-E491 VanDerWaalsContact C-N 3.27Å; G489-E491 PolarHBondContact O-N 2.79Å; E491-R494 PolarHBondContact O-N 3.28Å; E491-E495 WeakPolarHBondContact O-CB 3.23Å; E491-E495 PolarHBondContact O-N 2.66Å |
| 492 | I | 86.8 | Confident | 88.9 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 177.9 | -57.4 | -178.1 | 0 | 0 | 0 | 110.6 | I223 A485 Q486 R494 E495 Y496 | I223-I492 HydrophobicContact CB-CD1 4.44Å; I223-I492 HydrophobicContact CD1-CD1 3.82Å; I223-I492 HydrophobicContact CG1-CD1 3.71Å; I223-I492 HydrophobicContact CG2-CD1 4.02Å; A485-I492 HydrophobicContact CB-CD1 4.1Å; A485-I492 HydrophobicContact CB-CG1 3.4Å; A485-I492 VanDerWaalsContact CB-CG1 3.4Å; Q486-I492 WeakPolarHBondContact O-CD1 3.3Å; I492-R494 VanDerWaalsContact C-N 3.25Å; I492-R494 PolarHBondContact O-N 2.94Å; I492-E495 PolarHBondContact O-N 3.44Å; I492-Y496 HydrophobicContact CG2-CD2 3.75Å; I492-Y496 HydrophobicContact CG2-CE2 3.29Å; I492-Y496 WeakPolarHBondContact O-CD2 3.41Å; I492-Y496 PolarHBondContact O-N 3.01Å |
| 493 | R | 88.2 | Confident | 89 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.5 | -41.6 | 179.3 | -66.6 | 179.9 | -173.5 | -176.1 | 1.6 | 111.1 | I497 | R493-I497 WeakPolarHBondContact O-CD1 3.41Å; R493-I497 VanDerWaalsContact O-CG1 3.26Å; R493-I497 WeakPolarHBondContact O-CG1 3.11Å; R493-I497 PolarHBondContact O-N 3.37Å; R493-I497 VanDerWaalsContact O-N 3.09Å |
| 494 | R | 89.3 | Confident | 89.3 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 179.6 | -177.1 | 54.8 | 176.8 | 169 | 2.9 | 111.9 | L461 T462 R490 E491 I492 I497 N498 | L461-R494 HydrophobicContact CD2-CB 3.64Å; L461-R494 HydrophobicContact CD2-CG 4.05Å; T462-R494 PolarHBondContact O-NE 2.87Å; T462-R494 PolarHBondContact O-NH2 2.83Å; T462-R494 VanDerWaalsContact O-NH2 3.14Å; R490-R494 VanDerWaalsContact O-CB 3.29Å; R490-R494 WeakPolarHBondContact O-CB 3.42Å; R490-R494 PolarHBondContact O-N 2.73Å; E491-R494 PolarHBondContact O-N 3.28Å; I492-R494 VanDerWaalsContact C-N 3.25Å; I492-R494 PolarHBondContact O-N 2.94Å; R494-I497 PolarHBondContact O-N 3.23Å; R494-N498 VanDerWaalsContact CZ-OD1 3.3Å; R494-N498 PolarHBondContact NE-OD1 3.37Å; R494-N498 VanDerWaalsContact O-CG 3.25Å; R494-N498 PolarHBondContact O-N 3.05Å |
| 495 | E | 89.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 179.3 | -164.5 | 74.4 | -175.7 | 0 | 0 | 112 | K219 F221 R457 Q467 Y481 V483 E491 I492 N498 E499 | K219-E495 WeakPolarHBondContact CE-OE1 3.3Å; K219-E495 IonicContact NZ-OE1 2.82Å; K219-E495 PolarHBondContact NZ-OE1 3.19Å; F221-E495 HydrophobicContact CE1-CB 3.93Å; F221-E495 HydrophobicContact CE1-CG 3.76Å; F221-E495 HydrophobicContact CZ-CB 4.47Å; F221-E495 HydrophobicContact CZ-CG 4.01Å; R457-E495 IonicContact CZ-OE2 3.77Å; R457-E495 IonicContact NH1-OE1 3.69Å; R457-E495 IonicContact NH1-OE2 3.42Å; R457-E495 PolarHBondContact NH1-OE2 3.37Å; Q467-E495 WeakPolarHBondContact CG-OE1 3.35Å; Q467-E495 PolarHBondContact OE1-OE1 2.87Å; Q467-E495 PolarHBondContact OE1-OE2 3.16Å; Q467-E495 VanDerWaalsContact OE1-OE2 3.13Å; Y481-E495 WeakPolarHBondContact CE1-OE1 3.38Å; Y481-E495 PolarHBondContact OH-OE1 3.3Å; V483-E495 HydrophobicContact CG1-CG 4.47Å; V483-E495 HydrophobicContact CG2-CG 4.08Å; E491-E495 WeakPolarHBondContact O-CB 3.23Å; E491-E495 PolarHBondContact O-N 2.66Å; I492-E495 PolarHBondContact O-N 3.44Å; E495-N498 PolarHBondContact O-N 3.07Å; E495-E499 PolarHBondContact O-N 3.03Å |
| 496 | Y | 90.6 | Very high | 90 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 172.2 | -71.6 | -48.6 | 0 | 0 | 0 | 112.8 | F221 I492 N498 E499 Y500 | F221-Y496 HydrophobicContact CE1-CE1 4.31Å; F221-Y496 AromaticContact CE2-CE1 3.96Å; F221-Y496 HydrophobicContact CE2-CE1 3.96Å; F221-Y496 HydrophobicContact CZ-CD1 4.11Å; F221-Y496 AromaticContact CZ-CE1 3.7Å; F221-Y496 HydrophobicContact CZ-CE1 3.7Å; I492-Y496 HydrophobicContact CG2-CD2 3.75Å; I492-Y496 HydrophobicContact CG2-CE2 3.29Å; I492-Y496 WeakPolarHBondContact O-CD2 3.41Å; I492-Y496 PolarHBondContact O-N 3.01Å; Y496-N498 VanDerWaalsContact C-N 3.3Å; Y496-N498 PolarHBondContact O-N 3.28Å; Y496-E499 PolarHBondContact O-N 3.47Å; Y496-Y500 PolarHBondContact O-N 3.49Å; Y496-Y500 VanDerWaalsContact O-N 3.11Å |
| 497 | I | 92.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.4 | -71.7 | 164.9 | 0 | 0 | 0 | 109.9 | R493 R494 E499 Y500 L501 | R493-I497 WeakPolarHBondContact O-CD1 3.41Å; R493-I497 VanDerWaalsContact O-CG1 3.26Å; R493-I497 WeakPolarHBondContact O-CG1 3.11Å; R493-I497 PolarHBondContact O-N 3.37Å; R493-I497 VanDerWaalsContact O-N 3.09Å; R494-I497 PolarHBondContact O-N 3.23Å; I497-E499 PolarHBondContact O-N 3.46Å; I497-Y500 WeakPolarHBondContact O-CB 3.35Å; I497-Y500 PolarHBondContact O-N 2.94Å; I497-L501 HydrophobicContact CG2-CD1 3.98Å; I497-L501 HydrophobicContact CG2-CG 4.17Å; I497-L501 VanDerWaalsContact O-CG 3.27Å; I497-L501 WeakPolarHBondContact O-CG 3.31Å; I497-L501 PolarHBondContact O-N 3.45Å |
| 498 | N | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | -179.3 | -73.1 | -12.9 | 0 | 0 | 0 | 112.6 | T462 E464 Q467 R494 E495 Y496 L501 E502 | T462-N498 PolarHBondContact O-ND2 2.55Å; T462-N498 VanDerWaalsContact O-ND2 3.1Å; T462-N498 PolarHBondContact O-OD1 2.83Å; E464-N498 HydrophobicContact CB-CB 4.16Å; E464-N498 PolarHBondContact N-OD1 3.34Å; Q467-N498 PolarHBondContact OE1-ND2 3.21Å; R494-N498 VanDerWaalsContact CZ-OD1 3.3Å; R494-N498 PolarHBondContact NE-OD1 3.37Å; R494-N498 VanDerWaalsContact O-CG 3.25Å; R494-N498 PolarHBondContact O-N 3.05Å; E495-N498 PolarHBondContact O-N 3.07Å; Y496-N498 VanDerWaalsContact C-N 3.3Å; Y496-N498 PolarHBondContact O-N 3.28Å; N498-L501 PolarHBondContact O-N 2.98Å; N498-E502 PolarHBondContact O-N 3.33Å |
| 499 | E | 91.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 171.6 | -72.8 | 173.1 | 175.6 | 0 | 0 | 111.8 | K219 E495 Y496 I497 L501 E502 E503 | K219-E499 VanDerWaalsContact CD-OE1 3.31Å; K219-E499 WeakPolarHBondContact CD-OE1 2.99Å; K219-E499 WeakPolarHBondContact CE-OE1 3.47Å; K219-E499 IonicContact NZ-OE1 2.69Å; K219-E499 PolarHBondContact NZ-OE1 3.08Å; E495-E499 PolarHBondContact O-N 3.03Å; Y496-E499 PolarHBondContact O-N 3.47Å; I497-E499 PolarHBondContact O-N 3.46Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.25Å; E499-E502 WeakPolarHBondContact O-CB 3.37Å; E499-E502 PolarHBondContact O-N 3.11Å; E499-E503 PolarHBondContact O-N 2.98Å; E499-E503 VanDerWaalsContact O-N 3.15Å |
| 500 | Y | 94.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 43% | 0.427 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.7 | 169 | -102.3 | 0 | 0 | 0 | 112.2 | K180 Y496 I497 E502 E503 L504 | K180-Y500 WeakPolarHBondContact O-CE1 3.34Å; K180-Y500 PolarHBondContact O-OH 2.98Å; K180-Y500 VanDerWaalsContact O-OH 3.09Å; Y496-Y500 PolarHBondContact O-N 3.49Å; Y496-Y500 VanDerWaalsContact O-N 3.11Å; I497-Y500 WeakPolarHBondContact O-CB 3.35Å; I497-Y500 PolarHBondContact O-N 2.94Å; Y500-E502 VanDerWaalsContact C-N 3.35Å; Y500-E503 PolarHBondContact O-N 3.35Å; Y500-L504 HydrophobicContact CE1-CD2 4.21Å; Y500-L504 WeakPolarHBondContact O-CB 3.35Å; Y500-L504 PolarHBondContact O-N 3.4Å |
| 501 | L | 94.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68 | -32 | 177.9 | -67.3 | -177.9 | 0 | 0 | 0 | 112.8 | T176 A179 E464 I497 N498 E499 L504 T505 | T176-L501 HydrophobicContact CG2-CB 4.28Å; T176-L501 HydrophobicContact CG2-CD2 4.27Å; T176-L501 WeakPolarHBondContact CG2-O 3.42Å; A179-L501 WeakPolarHBondContact O-CD2 3.42Å; E464-L501 HydrophobicContact CB-CB 3.9Å; E464-L501 HydrophobicContact CG-CB 3.97Å; I497-L501 HydrophobicContact CG2-CD1 3.98Å; I497-L501 HydrophobicContact CG2-CG 4.17Å; I497-L501 VanDerWaalsContact O-CG 3.27Å; I497-L501 WeakPolarHBondContact O-CG 3.31Å; I497-L501 PolarHBondContact O-N 3.45Å; N498-L501 PolarHBondContact O-N 2.98Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 3.25Å; L501-L504 HydrophobicContact CD2-CD2 4.19Å; L501-L504 PolarHBondContact O-N 3.41Å; L501-T505 WeakPolarHBondContact O-CB 3.09Å; L501-T505 PolarHBondContact O-N 3.44Å; L501-T505 PolarHBondContact O-OG1 2.88Å |
| 502 | E | 92.9 | Very high | 93.8 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 172.7 | -173.9 | -179.5 | 159.5 | 0 | 0 | 110.8 | R216 N498 E499 Y500 L504 T505 G506 | R216-E502 IonicContact NH1-OE1 3.57Å; N498-E502 PolarHBondContact O-N 3.33Å; E499-E502 WeakPolarHBondContact O-CB 3.37Å; E499-E502 PolarHBondContact O-N 3.11Å; Y500-E502 VanDerWaalsContact C-N 3.35Å; E502-L504 VanDerWaalsContact C-N 3.34Å; E502-L504 PolarHBondContact O-N 3.3Å; E502-T505 WeakPolarHBondContact O-CB 3.46Å; E502-T505 PolarHBondContact O-N 3.24Å; E502-G506 PolarHBondContact O-N 3.43Å; E502-G506 VanDerWaalsContact O-N 3.15Å |
| 503 | E | 94.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 53.5 Ų | 53.5 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.4 | -168 | -164.4 | 149.8 | 0 | 0 | 111.6 | E499 Y500 T505 G506 K507 | E499-E503 PolarHBondContact O-N 2.98Å; E499-E503 VanDerWaalsContact O-N 3.15Å; Y500-E503 PolarHBondContact O-N 3.35Å; E503-T505 VanDerWaalsContact C-N 3.29Å; E503-T505 PolarHBondContact O-N 2.88Å; E503-G506 PolarHBondContact O-N 3.48Å; E503-K507 PolarHBondContact O-N 3.39Å; E503-K507 VanDerWaalsContact OE1-CE 3.23Å; E503-K507 WeakPolarHBondContact OE1-CE 3.41Å; E503-K507 IonicContact OE1-NZ 3.72Å; E503-K507 PolarHBondContact OE1-NZ 3.04Å |
| 504 | L | 96.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 177.5 | -167.9 | 64.5 | 0 | 0 | 0 | 111.8 | T176 L182 A185 Y500 L501 E502 K507 A508 | T176-L504 HydrophobicContact CG2-CB 4.34Å; T176-L504 HydrophobicContact CG2-CD2 4.31Å; T176-L504 HydrophobicContact CG2-CG 4.46Å; L182-L504 HydrophobicContact CB-CD1 3.95Å; L182-L504 HydrophobicContact CD1-CD1 4.05Å; A185-L504 HydrophobicContact CB-CD2 4Å; A185-L504 HydrophobicContact CB-CG 3.92Å; Y500-L504 HydrophobicContact CE1-CD2 4.21Å; Y500-L504 WeakPolarHBondContact O-CB 3.35Å; Y500-L504 PolarHBondContact O-N 3.4Å; L501-L504 HydrophobicContact CD2-CD2 4.19Å; L501-L504 PolarHBondContact O-N 3.41Å; E502-L504 VanDerWaalsContact C-N 3.34Å; E502-L504 PolarHBondContact O-N 3.3Å; L504-K507 PolarHBondContact O-N 2.85Å; L504-A508 WeakPolarHBondContact O-CB 3.02Å; L504-A508 PolarHBondContact O-N 3.11Å |
| 505 | T | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | P174 T176 L501 E502 E503 K507 A508 I509 | P174-T505 HydrophobicContact CG-CG2 3.9Å; T176-T505 VanDerWaalsContact CG2-OG1 3.23Å; T176-T505 WeakPolarHBondContact CG2-OG1 3.39Å; L501-T505 WeakPolarHBondContact O-CB 3.09Å; L501-T505 PolarHBondContact O-N 3.44Å; L501-T505 PolarHBondContact O-OG1 2.88Å; E502-T505 WeakPolarHBondContact O-CB 3.46Å; E502-T505 PolarHBondContact O-N 3.24Å; E503-T505 VanDerWaalsContact C-N 3.29Å; E503-T505 PolarHBondContact O-N 2.88Å; T505-K507 VanDerWaalsContact C-N 3.35Å; T505-K507 PolarHBondContact O-N 3.23Å; T505-A508 PolarHBondContact O-N 3.31Å; T505-I509 HydrophobicContact CG2-CD1 3.92Å; T505-I509 HydrophobicContact CG2-CG1 4.49Å; T505-I509 VanDerWaalsContact O-CG1 3.29Å; T505-I509 WeakPolarHBondContact O-CG1 3.45Å; T505-I509 PolarHBondContact O-N 3.46Å |
| 506 | G | 95.7 | Very high | 95.4 | Very high | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E502 E503 I509 A510 | E502-G506 PolarHBondContact O-N 3.43Å; E502-G506 VanDerWaalsContact O-N 3.15Å; E503-G506 PolarHBondContact O-N 3.48Å; G506-I509 PolarHBondContact O-N 3.39Å; G506-A510 PolarHBondContact O-N 3.07Å |
| 507 | K | 97.3 | Very high | 95.7 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.4 | -72.2 | 171.3 | 170.1 | 168.1 | 0 | 112.4 | L182 E503 L504 T505 A510 R511 | L182-K507 HydrophobicContact CD1-CB 3.7Å; E503-K507 PolarHBondContact O-N 3.39Å; E503-K507 VanDerWaalsContact OE1-CE 3.23Å; E503-K507 WeakPolarHBondContact OE1-CE 3.41Å; E503-K507 IonicContact OE1-NZ 3.72Å; E503-K507 PolarHBondContact OE1-NZ 3.04Å; L504-K507 PolarHBondContact O-N 2.85Å; T505-K507 VanDerWaalsContact C-N 3.35Å; T505-K507 PolarHBondContact O-N 3.23Å; K507-A510 PolarHBondContact O-N 3.06Å; K507-R511 PolarHBondContact O-N 3.32Å |
| 508 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L182 A185 V186 V189 L504 T505 R511 V512 | L182-A508 HydrophobicContact CD1-CB 4.25Å; A185-A508 HydrophobicContact CB-CB 3.91Å; V186-A508 HydrophobicContact CG2-CB 3.91Å; V189-A508 HydrophobicContact CG2-CB 3.97Å; L504-A508 WeakPolarHBondContact O-CB 3.02Å; L504-A508 PolarHBondContact O-N 3.11Å; T505-A508 PolarHBondContact O-N 3.31Å; A508-R511 WeakPolarHBondContact O-CB 3.32Å; A508-R511 PolarHBondContact O-N 3.33Å; A508-V512 WeakPolarHBondContact O-CG2 3.39Å; A508-V512 PolarHBondContact O-N 2.69Å |
| 509 | I | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 177 | -64.4 | 168.5 | 0 | 0 | 0 | 110.9 | W26 P174 V189 I200 T505 G506 R511 V512 Q513 | W26-I509 HydrophobicContact CD2-CD1 3.5Å; W26-I509 HydrophobicContact CE3-CB 4.24Å; W26-I509 HydrophobicContact CE3-CD1 3.5Å; W26-I509 VanDerWaalsContact CE3-CD1 3.5Å; W26-I509 HydrophobicContact CE3-CG1 4.44Å; W26-I509 HydrophobicContact CE3-CG2 3.61Å; W26-I509 HydrophobicContact CG-CD1 4.21Å; W26-I509 HydrophobicContact CH2-CD1 3.76Å; W26-I509 HydrophobicContact CZ2-CD1 3.73Å; W26-I509 HydrophobicContact CZ3-CB 3.99Å; W26-I509 HydrophobicContact CZ3-CD1 3.64Å; W26-I509 HydrophobicContact CZ3-CG1 4.44Å; W26-I509 HydrophobicContact CZ3-CG2 3.69Å; P174-I509 HydrophobicContact CG-CD1 3.58Å; P174-I509 HydrophobicContact CG-CG1 4.09Å; V189-I509 HydrophobicContact CG1-CG1 4.23Å; V189-I509 HydrophobicContact CG2-CG1 4.17Å; I200-I509 HydrophobicContact CD1-CD1 3.96Å; I200-I509 HydrophobicContact CD1-CG1 4.02Å; I200-I509 HydrophobicContact CD1-CG2 4.12Å; I200-I509 HydrophobicContact CG1-CG2 4.32Å; I200-I509 HydrophobicContact CG2-CG2 3.97Å; T505-I509 HydrophobicContact CG2-CD1 3.92Å; T505-I509 HydrophobicContact CG2-CG1 4.49Å; T505-I509 VanDerWaalsContact O-CG1 3.29Å; T505-I509 WeakPolarHBondContact O-CG1 3.45Å; T505-I509 PolarHBondContact O-N 3.46Å; G506-I509 PolarHBondContact O-N 3.39Å; I509-R511 VanDerWaalsContact C-N 3.26Å; I509-R511 PolarHBondContact O-N 2.95Å; I509-V512 PolarHBondContact O-N 3.38Å; I509-V512 VanDerWaalsContact O-N 3.16Å; I509-Q513 HydrophobicContact CG2-CG 4.12Å; I509-Q513 WeakPolarHBondContact O-CB 3.43Å; I509-Q513 WeakPolarHBondContact O-CG 3.29Å; I509-Q513 PolarHBondContact O-N 3.26Å |
| 510 | A | 97 | Very high | 96.4 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 45% | 0.446 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G506 K507 S514 | G506-A510 PolarHBondContact O-N 3.07Å; K507-A510 PolarHBondContact O-N 3.06Å; A510-S514 WeakPolarHBondContact O-CB 3.46Å; A510-S514 PolarHBondContact O-N 3.36Å; A510-S514 VanDerWaalsContact O-N 3.11Å; A510-S514 PolarHBondContact O-OG 2.95Å |
| 511 | R | 97.7 | Very high | 96.5 | Very high | 117 Ų | 117 | 56.5 Ų | 56.5 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 175.3 | -174.9 | 61.1 | 172.4 | 130.8 | -1.2 | 112 | V186 K507 A508 I509 S514 M515 | V186-R511 HydrophobicContact CG1-CG 4.43Å; V186-R511 HydrophobicContact CG2-CB 3.84Å; V186-R511 HydrophobicContact CG2-CG 3.87Å; K507-R511 PolarHBondContact O-N 3.32Å; A508-R511 WeakPolarHBondContact O-CB 3.32Å; A508-R511 PolarHBondContact O-N 3.33Å; I509-R511 VanDerWaalsContact C-N 3.26Å; I509-R511 PolarHBondContact O-N 2.95Å; R511-S514 WeakPolarHBondContact CA-OG 3.22Å; R511-S514 PolarHBondContact O-N 2.89Å; R511-S514 PolarHBondContact O-OG 2.61Å; R511-M515 HydrophobicContact CG-CE 4.42Å; R511-M515 WeakPolarHBondContact O-CG 3.46Å; R511-M515 PolarHBondContact O-N 3.09Å |
| 512 | V | 97.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | V186 V189 L190 I200 A508 I509 S514 M515 F520 | V186-V512 HydrophobicContact CG1-CG2 4.02Å; V189-V512 HydrophobicContact CB-CG2 4.15Å; V189-V512 HydrophobicContact CG1-CB 4.25Å; V189-V512 HydrophobicContact CG1-CG1 4.4Å; V189-V512 HydrophobicContact CG1-CG2 3.84Å; L190-V512 HydrophobicContact CD2-CG1 4.12Å; L190-V512 HydrophobicContact CD2-CG2 4.1Å; L190-V512 HydrophobicContact CG-CG2 4.01Å; I200-V512 HydrophobicContact CG2-CG1 4.2Å; A508-V512 WeakPolarHBondContact O-CG2 3.39Å; A508-V512 PolarHBondContact O-N 2.69Å; I509-V512 PolarHBondContact O-N 3.38Å; I509-V512 VanDerWaalsContact O-N 3.16Å; V512-S514 PolarHBondContact O-N 3.01Å; V512-M515 HydrophobicContact CG2-CE 4.3Å; V512-M515 WeakPolarHBondContact O-CB 3.49Å; V512-M515 PolarHBondContact O-N 3.25Å; V512-F520 HydrophobicContact CG1-CD2 4.14Å; V512-F520 HydrophobicContact CG1-CE2 3.85Å |
| 513 | Q | 96.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 62 Ų | 62 | 23% | 0.229 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.9 | -19.6 | 178.8 | -74.3 | -177.7 | -14 | 0 | 0 | 114.5 | I200 S202 I509 | I200-Q513 HydrophobicContact CG2-CG 4.14Å; I200-Q513 WeakPolarHBondContact O-CG 3.38Å; I200-Q513 PolarHBondContact O-NE2 3.4Å; I200-Q513 VanDerWaalsContact O-NE2 3.14Å; S202-Q513 PolarHBondContact OG-NE2 3.41Å; S202-Q513 PolarHBondContact OG-OE1 3.43Å; I509-Q513 HydrophobicContact CG2-CG 4.12Å; I509-Q513 WeakPolarHBondContact O-CB 3.43Å; I509-Q513 WeakPolarHBondContact O-CG 3.29Å; I509-Q513 PolarHBondContact O-N 3.26Å |
| 514 | S | 96.7 | Very high | 97.1 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.5 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | A510 R511 V512 | A510-S514 WeakPolarHBondContact O-CB 3.46Å; A510-S514 PolarHBondContact O-N 3.36Å; A510-S514 VanDerWaalsContact O-N 3.11Å; A510-S514 PolarHBondContact O-OG 2.95Å; R511-S514 WeakPolarHBondContact CA-OG 3.22Å; R511-S514 PolarHBondContact O-N 2.89Å; R511-S514 PolarHBondContact O-OG 2.61Å; V512-S514 PolarHBondContact O-N 3.01Å |
| 515 | M | 97.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 60.4 Ų | 60.4 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -65 | 144.8 | 173.9 | -67.1 | -177.3 | -175.7 | 0 | 0 | 110.7 | V186 L190 R511 V512 F520 K523 | V186-M515 HydrophobicContact CG1-CE 3.74Å; L190-M515 HydrophobicContact CD1-CE 4.2Å; L190-M515 HydrophobicContact CD2-SD 4.1Å; R511-M515 HydrophobicContact CG-CE 4.42Å; R511-M515 WeakPolarHBondContact O-CG 3.46Å; R511-M515 PolarHBondContact O-N 3.09Å; V512-M515 HydrophobicContact CG2-CE 4.3Å; V512-M515 WeakPolarHBondContact O-CB 3.49Å; V512-M515 PolarHBondContact O-N 3.25Å; M515-F520 HydrophobicContact CB-CB 4.43Å; M515-K523 HydrophobicContact SD-CD 4.34Å |
| 516 | S | 97.5 | Very high | 97.2 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | trans | -63 | 148.5 | 169.5 | 71.6 | 0 | 0 | 0 | 0 | 110.1 | H518 E519 F520 | S516-H518 PolarHBondContact O-N 3.5Å; S516-E519 PolarHBondContact O-N 3.07Å; S516-E519 VanDerWaalsContact O-N 3.15Å; S516-E519 VanDerWaalsContact OG-CB 3.3Å; S516-E519 WeakPolarHBondContact OG-CB 3.48Å; S516-E519 PolarHBondContact OG-N 3.13Å; S516-F520 PolarHBondContact O-N 3.38Å | ||
| 517 | E | 95 | Very high | 97.3 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 179.1 | -178.6 | 171.6 | -158.8 | 0 | 0 | 112.3 | R521 | E517-R521 HydrophobicContact CG-CG 4.43Å; E517-R521 WeakPolarHBondContact O-CB 3.43Å; E517-R521 VanDerWaalsContact O-CG 3.26Å; E517-R521 WeakPolarHBondContact O-CG 3.41Å; E517-R521 PolarHBondContact O-N 3.47Å; E517-R521 IonicContact OE1-CZ 3.78Å; E517-R521 IonicContact OE1-NE 3.62Å; E517-R521 PolarHBondContact OE1-NE 3.02Å; E517-R521 IonicContact OE1-NH2 2.74Å; E517-R521 PolarHBondContact OE1-NH2 3.08Å |
| 518 | H | 96.5 | Very high | 97.3 | Very high | 151 Ų | 151 | 60.3 Ų | 60.3 | 70% | 0.699 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65 | -47.5 | 176.7 | -177.4 | 74.6 | 0 | 0 | 0 | 112.3 | S516 R522 | S516-H518 PolarHBondContact O-N 3.5Å; H518-R522 WeakPolarHBondContact O-CB 3.31Å; H518-R522 PolarHBondContact O-N 2.97Å |
| 519 | E | 97.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.9 | -174.5 | -168.8 | 167 | 0 | 0 | 111.3 | S516 R522 K523 | S516-E519 PolarHBondContact O-N 3.07Å; S516-E519 VanDerWaalsContact O-N 3.15Å; S516-E519 VanDerWaalsContact OG-CB 3.3Å; S516-E519 WeakPolarHBondContact OG-CB 3.48Å; S516-E519 PolarHBondContact OG-N 3.13Å; E519-R522 PolarHBondContact O-N 2.89Å; E519-K523 HydrophobicContact CG-CD 4.3Å; E519-K523 PolarHBondContact O-N 3.46Å; E519-K523 WeakPolarHBondContact OE1-CE 3.42Å; E519-K523 IonicContact OE1-NZ 2.71Å; E519-K523 PolarHBondContact OE1-NZ 3.48Å |
| 520 | F | 97.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -54.2 | 179.1 | -179.6 | -96.7 | 0 | 0 | 0 | 110.8 | L190 C193 V199 V512 M515 S516 R522 K523 I524 | L190-F520 HydrophobicContact CD2-CD2 4.02Å; L190-F520 HydrophobicContact CD2-CE2 4.05Å; C193-F520 HydrophobicContact CB-CE2 4.14Å; C193-F520 HydrophobicContact CB-CZ 3.95Å; V199-F520 HydrophobicContact CB-CZ 4.49Å; V199-F520 HydrophobicContact CG1-CD1 4.09Å; V199-F520 HydrophobicContact CG1-CE1 3.46Å; V199-F520 VanDerWaalsContact CG1-CE1 3.46Å; V199-F520 HydrophobicContact CG1-CZ 3.85Å; V512-F520 HydrophobicContact CG1-CD2 4.14Å; V512-F520 HydrophobicContact CG1-CE2 3.85Å; M515-F520 HydrophobicContact CB-CB 4.43Å; S516-F520 PolarHBondContact O-N 3.38Å; F520-R522 VanDerWaalsContact C-N 3.29Å; F520-R522 PolarHBondContact O-N 2.86Å; F520-K523 PolarHBondContact O-N 3.36Å; F520-I524 HydrophobicContact CD1-CG1 3.93Å; F520-I524 HydrophobicContact CD2-CG1 4.35Å; F520-I524 HydrophobicContact CE1-CD1 4.15Å; F520-I524 HydrophobicContact CE1-CG1 3.59Å; F520-I524 HydrophobicContact CE2-CD1 3.93Å; F520-I524 HydrophobicContact CE2-CG1 4.05Å; F520-I524 HydrophobicContact CG-CG1 4.31Å; F520-I524 HydrophobicContact CZ-CD1 3.68Å; F520-I524 HydrophobicContact CZ-CG1 3.65Å; F520-I524 VanDerWaalsContact O-CG1 3.27Å; F520-I524 WeakPolarHBondContact O-CG1 3.49Å; F520-I524 PolarHBondContact O-N 3.08Å |
| 521 | R | 96.5 | Very high | 97 | Very high | 149 Ų | 149 | 68.8 Ų | 68.8 | 56% | 0.562 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.7 | -40.2 | 179.9 | -73.4 | 175.9 | -180 | -160.8 | -0.5 | 112.5 | E517 N525 | E517-R521 HydrophobicContact CG-CG 4.43Å; E517-R521 WeakPolarHBondContact O-CB 3.43Å; E517-R521 VanDerWaalsContact O-CG 3.26Å; E517-R521 WeakPolarHBondContact O-CG 3.41Å; E517-R521 PolarHBondContact O-N 3.47Å; E517-R521 IonicContact OE1-CZ 3.78Å; E517-R521 IonicContact OE1-NE 3.62Å; E517-R521 PolarHBondContact OE1-NE 3.02Å; E517-R521 IonicContact OE1-NH2 2.74Å; E517-R521 PolarHBondContact OE1-NH2 3.08Å; R521-N525 PolarHBondContact O-N 3.46Å; R521-N525 VanDerWaalsContact O-N 3.07Å; R521-N525 PolarHBondContact O-ND2 3.38Å |
| 522 | R | 97.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 64.1 Ų | 64.1 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 176.5 | -174.3 | -177.6 | 66.9 | 89.5 | -4.4 | 111.3 | H518 E519 F520 I524 N525 E526 | H518-R522 WeakPolarHBondContact O-CB 3.31Å; H518-R522 PolarHBondContact O-N 2.97Å; E519-R522 PolarHBondContact O-N 2.89Å; F520-R522 VanDerWaalsContact C-N 3.29Å; F520-R522 PolarHBondContact O-N 2.86Å; R522-I524 PolarHBondContact O-N 3.24Å; R522-N525 PolarHBondContact O-N 3.37Å; R522-E526 WeakPolarHBondContact CG-OE1 3.5Å; R522-E526 IonicContact CZ-OE1 3.57Å; R522-E526 IonicContact NH1-OE1 2.76Å; R522-E526 PolarHBondContact NH1-OE1 3.38Å; R522-E526 IonicContact NH1-OE2 2.73Å; R522-E526 PolarHBondContact NH1-OE2 2.81Å; R522-E526 WeakPolarHBondContact O-CG 3.47Å; R522-E526 PolarHBondContact O-N 3.02Å |
| 523 | K | 98 | Very high | 96.5 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 22% | 0.222 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 179.4 | -74.8 | 178.1 | 167.5 | 173.7 | 0 | 112.3 | L190 M515 E519 F520 N525 E526 I527 | L190-K523 HydrophobicContact CD1-CD 3.88Å; M515-K523 HydrophobicContact SD-CD 4.34Å; E519-K523 HydrophobicContact CG-CD 4.3Å; E519-K523 PolarHBondContact O-N 3.46Å; E519-K523 WeakPolarHBondContact OE1-CE 3.42Å; E519-K523 IonicContact OE1-NZ 2.71Å; E519-K523 PolarHBondContact OE1-NZ 3.48Å; F520-K523 PolarHBondContact O-N 3.36Å; K523-N525 PolarHBondContact O-N 3.19Å; K523-E526 PolarHBondContact O-N 3.24Å; K523-I527 VanDerWaalsContact O-CG1 3.28Å; K523-I527 WeakPolarHBondContact O-CG1 3.33Å; K523-I527 PolarHBondContact O-N 3.39Å |
| 524 | I | 98 | Very high | 96.3 | Very high | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 177.4 | -65.5 | -60.9 | 0 | 0 | 0 | 111.4 | C193 A194 F520 R522 E526 I527 Q528 | C193-I524 HydrophobicContact CB-CD1 3.72Å; A194-I524 HydrophobicContact CB-CD1 3.81Å; A194-I524 HydrophobicContact CB-CG2 4.3Å; F520-I524 HydrophobicContact CD1-CG1 3.93Å; F520-I524 HydrophobicContact CD2-CG1 4.35Å; F520-I524 HydrophobicContact CE1-CD1 4.15Å; F520-I524 HydrophobicContact CE1-CG1 3.59Å; F520-I524 HydrophobicContact CE2-CD1 3.93Å; F520-I524 HydrophobicContact CE2-CG1 4.05Å; F520-I524 HydrophobicContact CG-CG1 4.31Å; F520-I524 HydrophobicContact CZ-CD1 3.68Å; F520-I524 HydrophobicContact CZ-CG1 3.65Å; F520-I524 VanDerWaalsContact O-CG1 3.27Å; F520-I524 WeakPolarHBondContact O-CG1 3.49Å; F520-I524 PolarHBondContact O-N 3.08Å; R522-I524 PolarHBondContact O-N 3.24Å; I524-E526 PolarHBondContact O-N 3.47Å; I524-I527 PolarHBondContact O-N 2.92Å; I524-Q528 HydrophobicContact CG2-CG 4.31Å; I524-Q528 WeakPolarHBondContact O-CB 3.36Å; I524-Q528 VanDerWaalsContact O-CG 3.3Å; I524-Q528 WeakPolarHBondContact O-CG 3.46Å; I524-Q528 PolarHBondContact O-N 3.01Å |
| 525 | N | 97.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 69.7 Ų | 69.7 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 178.7 | -73.7 | -22.5 | 0 | 0 | 0 | 112.5 | R521 R522 K523 T529 | R521-N525 PolarHBondContact O-N 3.46Å; R521-N525 VanDerWaalsContact O-N 3.07Å; R521-N525 PolarHBondContact O-ND2 3.38Å; R522-N525 PolarHBondContact O-N 3.37Å; K523-N525 PolarHBondContact O-N 3.19Å; N525-T529 WeakPolarHBondContact O-CB 3.33Å; N525-T529 PolarHBondContact O-N 3.2Å; N525-T529 PolarHBondContact O-OG1 3.3Å |
| 526 | E | 97.8 | Very high | 95.5 | Very high | 87 Ų | 87 | 74.2 Ų | 74.2 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 175.3 | -74.5 | 169 | -171.7 | 0 | 0 | 111.2 | R522 K523 I524 T529 Q530 | R522-E526 WeakPolarHBondContact CG-OE1 3.5Å; R522-E526 IonicContact CZ-OE1 3.57Å; R522-E526 IonicContact NH1-OE1 2.76Å; R522-E526 PolarHBondContact NH1-OE1 3.38Å; R522-E526 IonicContact NH1-OE2 2.73Å; R522-E526 PolarHBondContact NH1-OE2 2.81Å; R522-E526 WeakPolarHBondContact O-CG 3.47Å; R522-E526 PolarHBondContact O-N 3.02Å; K523-E526 PolarHBondContact O-N 3.24Å; I524-E526 PolarHBondContact O-N 3.47Å; E526-T529 PolarHBondContact O-N 2.96Å; E526-Q530 WeakPolarHBondContact O-CG 3.28Å; E526-Q530 PolarHBondContact O-N 2.92Å |
| 527 | I | 97.8 | Very high | 95.2 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 21% | 0.205 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 179.3 | -64.9 | 165.5 | 0 | 0 | 0 | 110.9 | L190 A194 K523 I524 T529 Q530 A531 | L190-I527 HydrophobicContact CB-CD1 3.92Å; A194-I527 HydrophobicContact CB-CB 3.76Å; A194-I527 HydrophobicContact CB-CD1 4.28Å; A194-I527 HydrophobicContact CB-CG2 3.48Å; A194-I527 VanDerWaalsContact CB-CG2 3.48Å; K523-I527 VanDerWaalsContact O-CG1 3.28Å; K523-I527 WeakPolarHBondContact O-CG1 3.33Å; K523-I527 PolarHBondContact O-N 3.39Å; I524-I527 PolarHBondContact O-N 2.92Å; I527-T529 PolarHBondContact O-N 3.46Å; I527-Q530 PolarHBondContact O-N 2.77Å; I527-A531 WeakPolarHBondContact O-CB 3.31Å; I527-A531 PolarHBondContact O-N 3.41Å |
| 528 | Q | 97.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 178.6 | -77.9 | 177.7 | -10 | 0 | 0 | 111.7 | V154 A194 D197 I524 A531 I532 | V154-Q528 HydrophobicContact CG1-CB 3.69Å; V154-Q528 HydrophobicContact CG1-CG 3.79Å; V154-Q528 HydrophobicContact CG2-CG 4.2Å; A194-Q528 HydrophobicContact CB-CG 4.23Å; A194-Q528 WeakPolarHBondContact O-CG 3.31Å; A194-Q528 PolarHBondContact O-NE2 3.24Å; D197-Q528 PolarHBondContact OD1-NE2 3.45Å; I524-Q528 HydrophobicContact CG2-CG 4.31Å; I524-Q528 WeakPolarHBondContact O-CB 3.36Å; I524-Q528 VanDerWaalsContact O-CG 3.3Å; I524-Q528 WeakPolarHBondContact O-CG 3.46Å; I524-Q528 PolarHBondContact O-N 3.01Å; Q528-A531 PolarHBondContact O-N 3.36Å; Q528-I532 WeakPolarHBondContact O-CG1 3.49Å; Q528-I532 PolarHBondContact O-N 3.5Å; Q528-I532 VanDerWaalsContact O-N 3.14Å |
| 529 | T | 96.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | -179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | N525 E526 I527 A531 I532 I533 | N525-T529 WeakPolarHBondContact O-CB 3.33Å; N525-T529 PolarHBondContact O-N 3.2Å; N525-T529 PolarHBondContact O-OG1 3.3Å; E526-T529 PolarHBondContact O-N 2.96Å; I527-T529 PolarHBondContact O-N 3.46Å; T529-A531 PolarHBondContact O-N 2.91Å; T529-I532 PolarHBondContact O-N 3.27Å; T529-I533 HydrophobicContact CG2-CD1 4Å; T529-I533 WeakPolarHBondContact O-CG1 3.31Å; T529-I533 PolarHBondContact O-N 3.16Å; T529-I533 VanDerWaalsContact O-N 3.1Å |
| 530 | Q | 95.5 | Very high | 93.9 | Very high | 135 Ų | 135 | 70.5 Ų | 70.5 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.7 | -42.4 | 177.2 | -73.3 | -179.8 | -8.5 | 0 | 0 | 112.1 | E526 I527 I532 I533 M534 | E526-Q530 WeakPolarHBondContact O-CG 3.28Å; E526-Q530 PolarHBondContact O-N 2.92Å; I527-Q530 PolarHBondContact O-N 2.77Å; Q530-I532 VanDerWaalsContact C-N 3.34Å; Q530-I532 PolarHBondContact O-N 2.95Å; Q530-I533 PolarHBondContact O-N 2.91Å; Q530-M534 WeakPolarHBondContact O-CB 3.37Å; Q530-M534 PolarHBondContact O-N 2.93Å |
| 531 | A | 93.6 | Very high | 93.5 | Very high | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I527 Q528 T529 N535 | I527-A531 WeakPolarHBondContact O-CB 3.31Å; I527-A531 PolarHBondContact O-N 3.41Å; Q528-A531 PolarHBondContact O-N 3.36Å; T529-A531 PolarHBondContact O-N 2.91Å; A531-N535 WeakPolarHBondContact O-CB 3.34Å; A531-N535 PolarHBondContact O-N 3.15Å |
| 532 | I | 92.7 | Very high | 93 | Very high | 18 Ų | 18 | 74.3 Ų | 74.3 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 177.2 | -65.9 | -59.4 | 0 | 0 | 0 | 111.6 | V154 E155 L158 Q528 T529 Q530 N535 K536 | V154-I532 HydrophobicContact CG1-CD1 4.28Å; V154-I532 HydrophobicContact CG1-CG1 4.06Å; E155-I532 HydrophobicContact CB-CD1 4.08Å; L158-I532 HydrophobicContact CD1-CG1 4.03Å; Q528-I532 WeakPolarHBondContact O-CG1 3.49Å; Q528-I532 PolarHBondContact O-N 3.5Å; Q528-I532 VanDerWaalsContact O-N 3.14Å; T529-I532 PolarHBondContact O-N 3.27Å; Q530-I532 VanDerWaalsContact C-N 3.34Å; Q530-I532 PolarHBondContact O-N 2.95Å; I532-N535 PolarHBondContact O-N 3.22Å; I532-K536 PolarHBondContact O-N 3.04Å; I532-K536 VanDerWaalsContact O-N 3.08Å |
| 533 | I | 92.9 | Very high | 92.4 | Very high | 100 Ų | 100 | 72.2 Ų | 72.2 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 177.2 | -67.2 | 167.9 | 0 | 0 | 0 | 110.3 | T529 Q530 N535 K536 V537 | T529-I533 HydrophobicContact CG2-CD1 4Å; T529-I533 WeakPolarHBondContact O-CG1 3.31Å; T529-I533 PolarHBondContact O-N 3.16Å; T529-I533 VanDerWaalsContact O-N 3.1Å; Q530-I533 PolarHBondContact O-N 2.91Å; I533-N535 VanDerWaalsContact C-N 3.29Å; I533-N535 PolarHBondContact O-N 3.19Å; I533-K536 PolarHBondContact O-N 3.42Å; I533-V537 WeakPolarHBondContact O-CG2 3.32Å; I533-V537 PolarHBondContact O-N 2.72Å; I533-V537 VanDerWaalsContact O-N 3.12Å |
| 534 | M | 91.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 76.2 Ų | 76.2 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 179.2 | -175.2 | 63.4 | 73.1 | 0 | 0 | 111.6 | Q530 V537 L538 | Q530-M534 WeakPolarHBondContact O-CB 3.37Å; Q530-M534 PolarHBondContact O-N 2.93Å; M534-V537 PolarHBondContact O-N 3.28Å; M534-L538 HydrophobicContact CG-CD1 4.05Å; M534-L538 HydrophobicContact CG-CG 4.44Å; M534-L538 WeakPolarHBondContact O-CB 3.49Å; M534-L538 VanDerWaalsContact O-CG 3.27Å; M534-L538 WeakPolarHBondContact O-CG 3.34Å; M534-L538 PolarHBondContact O-N 2.87Å; M534-L538 HydrophobicContact SD-CG 4.49Å |
| 535 | N | 89.1 | Confident | 91.3 | Very high | 33 Ų | 33 | 80.7 Ų | 80.7 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.9 | -173.5 | 4.4 | 0 | 0 | 0 | 111.5 | A531 I532 I533 V537 L538 Q539 | A531-N535 WeakPolarHBondContact O-CB 3.34Å; A531-N535 PolarHBondContact O-N 3.15Å; I532-N535 PolarHBondContact O-N 3.22Å; I533-N535 VanDerWaalsContact C-N 3.29Å; I533-N535 PolarHBondContact O-N 3.19Å; N535-V537 PolarHBondContact O-N 2.87Å; N535-L538 PolarHBondContact O-N 3.37Å; N535-L538 VanDerWaalsContact O-N 3.15Å; N535-Q539 WeakPolarHBondContact O-CG 3.19Å; N535-Q539 PolarHBondContact O-N 2.52Å; N535-Q539 PolarHBondContact OD1-NE2 2.87Å |
| 536 | K | 88.8 | Confident | 90.7 | Very high | 116 Ų | 116 | 81.4 Ų | 81.4 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.2 | -50.8 | 176.6 | -71.3 | -179.2 | 179.2 | -177.1 | 0 | 111.6 | I532 I533 L538 Q539 D540 | I532-K536 PolarHBondContact O-N 3.04Å; I532-K536 VanDerWaalsContact O-N 3.08Å; I533-K536 PolarHBondContact O-N 3.42Å; K536-L538 VanDerWaalsContact C-N 3.29Å; K536-L538 PolarHBondContact O-N 3.41Å; K536-Q539 PolarHBondContact O-N 3.34Å; K536-D540 VanDerWaalsContact O-CG 3.3Å; K536-D540 PolarHBondContact O-N 2.91Å |
| 537 | V | 91.7 | Very high | 90.2 | Very high | 60 Ų | 60 | 82 Ų | 82 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 112 | I533 M534 N535 D540 R541 | I533-V537 WeakPolarHBondContact O-CG2 3.32Å; I533-V537 PolarHBondContact O-N 2.72Å; I533-V537 VanDerWaalsContact O-N 3.12Å; M534-V537 PolarHBondContact O-N 3.28Å; N535-V537 PolarHBondContact O-N 2.87Å; V537-D540 PolarHBondContact O-N 3.4Å; V537-R541 WeakPolarHBondContact O-CG 3.45Å; V537-R541 PolarHBondContact O-N 3.11Å |
| 538 | L | 88.1 | Confident | 89.9 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.9 | -32.6 | 177.2 | -73.1 | 172.8 | 0 | 0 | 0 | 113 | M534 N535 K536 K542 | M534-L538 HydrophobicContact CG-CD1 4.05Å; M534-L538 HydrophobicContact CG-CG 4.44Å; M534-L538 WeakPolarHBondContact O-CB 3.49Å; M534-L538 VanDerWaalsContact O-CG 3.27Å; M534-L538 WeakPolarHBondContact O-CG 3.34Å; M534-L538 PolarHBondContact O-N 2.87Å; M534-L538 HydrophobicContact SD-CG 4.49Å; N535-L538 PolarHBondContact O-N 3.37Å; N535-L538 VanDerWaalsContact O-N 3.15Å; K536-L538 VanDerWaalsContact C-N 3.29Å; K536-L538 PolarHBondContact O-N 3.41Å; L538-K542 VanDerWaalsContact O-CG 3.26Å; L538-K542 WeakPolarHBondContact O-CG 3.39Å; L538-K542 PolarHBondContact O-N 2.95Å; L538-K542 VanDerWaalsContact O-N 3.13Å |
| 539 | Q | 86.2 | Confident | 89.6 | Confident | 83 Ų | 83 | 88.7 Ų | 88.7 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 173.4 | -65.7 | -60 | -21 | 0 | 0 | 110.8 | N535 K536 R541 K542 T543 | N535-Q539 WeakPolarHBondContact O-CG 3.19Å; N535-Q539 PolarHBondContact O-N 2.52Å; N535-Q539 PolarHBondContact OD1-NE2 2.87Å; K536-Q539 PolarHBondContact O-N 3.34Å; Q539-R541 PolarHBondContact O-N 2.97Å; Q539-K542 WeakPolarHBondContact O-CB 3.5Å; Q539-K542 PolarHBondContact O-N 3.18Å; Q539-K542 VanDerWaalsContact O-N 3.08Å; Q539-T543 PolarHBondContact O-N 2.81Å; Q539-T543 PolarHBondContact O-OG1 3.44Å; Q539-T543 VanDerWaalsContact O-OG1 3.06Å |
| 540 | D | 87.9 | Confident | 89.5 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 178 | -62.3 | -22.2 | 0 | 0 | 0 | 110.7 | K536 V537 K542 T543 E544 | K536-D540 VanDerWaalsContact O-CG 3.3Å; K536-D540 PolarHBondContact O-N 2.91Å; V537-D540 PolarHBondContact O-N 3.4Å; D540-K542 VanDerWaalsContact C-N 3.31Å; D540-K542 PolarHBondContact O-N 2.96Å; D540-T543 WeakPolarHBondContact O-CB 3.38Å; D540-T543 PolarHBondContact O-N 3.36Å; D540-T543 VanDerWaalsContact O-N 3.11Å; D540-E544 WeakPolarHBondContact O-CG 3.44Å; D540-E544 PolarHBondContact O-N 3.23Å |
| 541 | R | 88.4 | Confident | 89.4 | Confident | 162 Ų | 162 | 83.3 Ų | 83.3 | 61% | 0.611 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.5 | -35.2 | 174.5 | -73.3 | -179.1 | 179.2 | -177.7 | 0.9 | 113.7 | V537 Q539 K545 | V537-R541 WeakPolarHBondContact O-CG 3.45Å; V537-R541 PolarHBondContact O-N 3.11Å; Q539-R541 PolarHBondContact O-N 2.97Å; R541-K545 WeakPolarHBondContact O-CB 3.45Å; R541-K545 PolarHBondContact O-N 3.01Å |
| 542 | K | 85.6 | Confident | 89.5 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 175.7 | -79 | 170.2 | -173.9 | 168.2 | 0 | 110.8 | L538 Q539 D540 K545 K546 | L538-K542 VanDerWaalsContact O-CG 3.26Å; L538-K542 WeakPolarHBondContact O-CG 3.39Å; L538-K542 PolarHBondContact O-N 2.95Å; L538-K542 VanDerWaalsContact O-N 3.13Å; Q539-K542 WeakPolarHBondContact O-CB 3.5Å; Q539-K542 PolarHBondContact O-N 3.18Å; Q539-K542 VanDerWaalsContact O-N 3.08Å; D540-K542 VanDerWaalsContact C-N 3.31Å; D540-K542 PolarHBondContact O-N 2.96Å; K542-K545 PolarHBondContact O-N 3.24Å; K542-K546 WeakPolarHBondContact O-CG 3.03Å; K542-K546 PolarHBondContact O-N 3.19Å |
| 543 | T | 85 | Confident | 89.6 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | Q539 D540 K545 K546 N547 | Q539-T543 PolarHBondContact O-N 2.81Å; Q539-T543 PolarHBondContact O-OG1 3.44Å; Q539-T543 VanDerWaalsContact O-OG1 3.06Å; D540-T543 WeakPolarHBondContact O-CB 3.38Å; D540-T543 PolarHBondContact O-N 3.36Å; D540-T543 VanDerWaalsContact O-N 3.11Å; T543-K545 VanDerWaalsContact C-N 3.35Å; T543-K545 PolarHBondContact O-N 3.47Å; T543-K546 PolarHBondContact O-N 2.91Å; T543-N547 WeakPolarHBondContact O-CB 3.28Å; T543-N547 PolarHBondContact O-N 3.26Å; T543-N547 PolarHBondContact O-ND2 3.15Å |
| 544 | E | 87.1 | Confident | 89.8 | Confident | 135 Ų | 135 | 82.4 Ų | 82.4 | 63% | 0.631 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -56.8 | -46.7 | 173.3 | -72.8 | 174.4 | 173.4 | 0 | 0 | 111.8 | D540 K546 N547 R548 | D540-E544 WeakPolarHBondContact O-CG 3.44Å; D540-E544 PolarHBondContact O-N 3.23Å; E544-K546 VanDerWaalsContact C-N 3.33Å; E544-K546 PolarHBondContact O-N 2.92Å; E544-N547 CarbonylContact O-C 3.59Å; E544-N547 PolarHBondContact O-N 3.29Å; E544-N547 VanDerWaalsContact O-N 3.08Å; E544-R548 PolarHBondContact O-N 2.85Å; E544-R548 VanDerWaalsContact O-N 3.15Å |
| 545 | K | 85.8 | Confident | 90.1 | Very high | 100 Ų | 100 | 82.5 Ų | 82.5 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 178.5 | -175.2 | -178.1 | 173.3 | -169.6 | 0 | 112.2 | R541 K542 T543 N547 R548 D658 P660 | R541-K545 WeakPolarHBondContact O-CB 3.45Å; R541-K545 PolarHBondContact O-N 3.01Å; K542-K545 PolarHBondContact O-N 3.24Å; T543-K545 VanDerWaalsContact C-N 3.35Å; T543-K545 PolarHBondContact O-N 3.47Å; K545-N547 PolarHBondContact O-N 3.25Å; K545-R548 WeakPolarHBondContact O-CB 3.46Å; K545-R548 PolarHBondContact O-N 2.93Å; K545-D658 VanDerWaalsContact CE-O 3.29Å; K545-D658 WeakPolarHBondContact CE-O 3.41Å; K545-D658 PolarHBondContact NZ-O 2.9Å; K545-P660 CarbonylContact O-C 3.43Å; K545-P660 WeakPolarHBondContact O-CA 3.34Å |
| 546 | K | 85.6 | Confident | 90.5 | Very high | 90 Ų | 90 | 80.9 Ų | 80.9 | 39% | 0.391 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68 | -24.6 | 176.3 | -76.3 | -178.9 | 175.1 | -171.4 | 0 | 112.6 | K542 T543 E544 F661 M662 | K542-K546 WeakPolarHBondContact O-CG 3.03Å; K542-K546 PolarHBondContact O-N 3.19Å; T543-K546 PolarHBondContact O-N 2.91Å; E544-K546 VanDerWaalsContact C-N 3.33Å; E544-K546 PolarHBondContact O-N 2.92Å; K546-F661 CarbonylContact O-C 3.5Å; K546-F661 WeakPolarHBondContact O-CA 3.49Å; K546-M662 PolarHBondContact O-N 3.34Å |
| 547 | N | 87.6 | Confident | 90.9 | Very high | 98 Ų | 98 | 75.7 Ų | 75.7 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 12.1 | -179.8 | -64.1 | -13.7 | 0 | 0 | 0 | 112.6 | T543 E544 K545 | T543-N547 WeakPolarHBondContact O-CB 3.28Å; T543-N547 PolarHBondContact O-N 3.26Å; T543-N547 PolarHBondContact O-ND2 3.15Å; E544-N547 CarbonylContact O-C 3.59Å; E544-N547 PolarHBondContact O-N 3.29Å; E544-N547 VanDerWaalsContact O-N 3.08Å; K545-N547 PolarHBondContact O-N 3.25Å |
| 548 | R | 89.8 | Confident | 91.2 | Very high | 159 Ų | 159 | 72.8 Ų | 72.8 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -67.8 | -38.4 | -175.8 | -172.2 | -177.5 | 178.3 | 135 | -1.3 | 112.6 | E544 K545 D648 | E544-R548 PolarHBondContact O-N 2.85Å; E544-R548 VanDerWaalsContact O-N 3.15Å; K545-R548 WeakPolarHBondContact O-CB 3.46Å; K545-R548 PolarHBondContact O-N 2.93Å; R548-D648 IonicContact CZ-OD2 2.79Å; R548-D648 IonicContact NE-OD2 3.13Å; R548-D648 PolarHBondContact NE-OD2 3.03Å; R548-D648 IonicContact NH2-OD2 2.66Å; R548-D648 PolarHBondContact NH2-OD2 3.24Å |
| 549 | H | 93.2 | Very high | 91.5 | Very high | 26 Ų | 26 | 71.4 Ų | 71.4 | 12% | 0.12 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -133.9 | 148.7 | -179.7 | -55.3 | -57.7 | 0 | 0 | 0 | 111 | I554 D648 P660 F661 | H549-I554 HydrophobicContact CB-CD1 3.71Å; H549-I554 HydrophobicContact CB-CG1 4.32Å; H549-D648 IonicContact CE1-OD1 2.65Å; H549-D648 IonicContact CE1-OD2 3.64Å; H549-D648 PolarHBondContact CE1-OD2 3.22Å; H549-D648 VanDerWaalsContact CE1-OD2 3.28Å; H549-D648 IonicContact NE2-OD2 3.24Å; H549-D648 PolarHBondContact NE2-OD2 3.01Å; H549-P660 PolarHBondContact N-O 3.36Å; H549-F661 WeakPolarHBondContact O-CB 3.45Å |
| 550 | A | 93.4 | Very high | 91.8 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | trans | -65.6 | 140.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S552 S553 | A550-S552 PolarHBondContact O-N 2.96Å; A550-S553 PolarHBondContact O-N 3.42Å; A550-S553 PolarHBondContact O-OG 3.42Å | ||
| 551 | A | 93.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -58.1 | -34.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S553 I554 G568 S569 F661 | A551-S553 VanDerWaalsContact C-N 3.29Å; A551-S553 PolarHBondContact O-N 3.12Å; A551-I554 PolarHBondContact O-N 3.36Å; A551-G568 CarbonylContact O-C 3.56Å; A551-G568 WeakPolarHBondContact O-CA 3.09Å; A551-G568 PolarHBondContact O-N 3.17Å; A551-S569 PolarHBondContact O-N 3.06Å; A551-F661 HydrophobicContact CB-CD2 3.6Å; A551-F661 HydrophobicContact CB-CE2 4.18Å; A551-F661 HydrophobicContact CB-CG 4.37Å |
| 552 | S | 94.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 57.5 Ų | 57.5 | 59% | 0.594 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -70 | -18.8 | 177.6 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | A550 I554 | A550-S552 PolarHBondContact O-N 2.96Å; S552-I554 VanDerWaalsContact C-N 3.32Å |
| 553 | S | 95.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -88.9 | -1.3 | 176 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | A550 A551 | A550-S553 PolarHBondContact O-N 3.42Å; A550-S553 PolarHBondContact O-OG 3.42Å; A551-S553 VanDerWaalsContact C-N 3.29Å; A551-S553 PolarHBondContact O-N 3.12Å |
| 554 | I | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 122.9 | 178.3 | -55.2 | -53.4 | 0 | 0 | 0 | 109.3 | H549 A551 S552 I556 S567 G568 L644 E645 T646 F661 | H549-I554 HydrophobicContact CB-CD1 3.71Å; H549-I554 HydrophobicContact CB-CG1 4.32Å; A551-I554 PolarHBondContact O-N 3.36Å; S552-I554 VanDerWaalsContact C-N 3.32Å; I554-I556 HydrophobicContact CG2-CD1 3.96Å; I554-S567 CarbonylContact O-C 3.5Å; I554-G568 PolarHBondContact O-N 2.62Å; I554-L644 HydrophobicContact CG2-CB 4.15Å; I554-L644 HydrophobicContact CG2-CD2 4.45Å; I554-E645 WeakPolarHBondContact CA-O 3.34Å; I554-T646 HydrophobicContact CD1-CG2 3.83Å; I554-F661 HydrophobicContact CB-CD1 4.32Å; I554-F661 HydrophobicContact CB-CE1 4.47Å; I554-F661 HydrophobicContact CG1-CB 4.27Å; I554-F661 HydrophobicContact CG1-CD1 3.82Å; I554-F661 HydrophobicContact CG1-CE1 4.44Å; I554-F661 HydrophobicContact CG1-CG 4.2Å; I554-F661 HydrophobicContact CG2-CD1 4.26Å; I554-F661 HydrophobicContact CG2-CE1 4.08Å |
| 555 | R | 97.6 | Very high | 93.9 | Very high | 119 Ų | 119 | 49.2 Ų | 49.2 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.1 | 172 | -56 | -179.5 | -73.1 | 162.9 | -8.9 | 110 | E564 E645 | R555-E564 HydrophobicContact CB-CG 4.36Å; R555-E564 WeakPolarHBondContact CD-OE2 3.4Å; R555-E564 IonicContact NH1-OE2 3.61Å; R555-E564 PolarHBondContact NH1-OE2 2.75Å; R555-E564 VanDerWaalsContact NH1-OE2 3.15Å; R555-E645 HydrophobicContact CB-CB 4.05Å; R555-E645 PolarHBondContact N-O 3Å; R555-E645 PolarHBondContact O-N 3.43Å |
| 556 | I | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.3 | 179.1 | -49.8 | -59.3 | 0 | 0 | 0 | 108 | I554 V565 A566 F571 F642 L644 | I554-I556 HydrophobicContact CG2-CD1 3.96Å; I556-V565 HydrophobicContact CB-CG2 4.33Å; I556-V565 HydrophobicContact CG2-CG2 4.03Å; I556-V565 VanDerWaalsContact O-CG2 3.24Å; I556-V565 WeakPolarHBondContact O-CG2 3.49Å; I556-V565 PolarHBondContact O-N 3.45Å; I556-A566 WeakPolarHBondContact CA-O 3.37Å; I556-A566 HydrophobicContact CB-CB 4.13Å; I556-A566 WeakPolarHBondContact CB-O 3.43Å; I556-A566 HydrophobicContact CG1-CB 4.32Å; I556-A566 PolarHBondContact N-O 3Å; I556-A566 PolarHBondContact O-N 3.25Å; I556-F571 HydrophobicContact CG1-CD2 4.42Å; I556-F571 HydrophobicContact CG1-CE2 3.76Å; I556-F642 HydrophobicContact CG2-CB 3.79Å; I556-F642 HydrophobicContact CG2-CD1 3.57Å; I556-F642 HydrophobicContact CG2-CE1 4.33Å; I556-F642 HydrophobicContact CG2-CG 3.75Å; I556-L644 HydrophobicContact CD1-CD2 3.23Å |
| 557 | L | 97.8 | Very high | 95 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.9 | -176.2 | -57.3 | 173.8 | 0 | 0 | 0 | 110.2 | R559 A563 E564 F642 A643 E645 R650 | L557-R559 PolarHBondContact O-N 3.31Å; L557-A563 CarbonylContact C-O 3.48Å; L557-A563 WeakPolarHBondContact CA-O 3.34Å; L557-E564 VanDerWaalsContact CD2-CA 3.46Å; L557-E564 HydrophobicContact CD2-CB 3.68Å; L557-E564 HydrophobicContact CD2-CG 4.12Å; L557-F642 CarbonylContact O-C 3.59Å; L557-F642 WeakPolarHBondContact O-CA 3.48Å; L557-F642 WeakPolarHBondContact O-CB 3.23Å; L557-A643 HydrophobicContact CB-CB 4.27Å; L557-A643 PolarHBondContact N-O 2.94Å; L557-A643 PolarHBondContact O-N 2.89Å; L557-E645 HydrophobicContact CD1-CB 4.1Å; L557-R650 HydrophobicContact CD1-CG 4.43Å; L557-R650 VanDerWaalsContact CD1-NE 3.26Å |
| 558 | C | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 123.8 | 170.1 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | N560 F562 A563 V565 C618 W622 | C558-N560 PolarHBondContact O-N 2.99Å; C558-F562 WeakPolarHBondContact O-CA 3.47Å; C558-F562 PolarHBondContact O-N 3Å; C558-A563 PolarHBondContact N-O 3Å; C558-V565 HydrophobicContact CB-CG1 4.29Å; C558-C618 VanDerWaalsContact SG-SG 3.7Å; C558-W622 HydrophobicContact CB-CZ2 3.75Å; C558-W622 PolarHBondContact SG-NE1 3.12Å |
| 559 | R | 95 | Very high | 95.6 | Very high | 40 Ų | 40 | 32 Ų | 32 | 15% | 0.151 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.8 | -177.6 | -172.1 | 173.9 | -179.7 | 149.5 | 10.9 | 114.3 | E271 V275 L557 F562 K640 N641 | E271-R559 VanDerWaalsContact CD-NH2 3.28Å; E271-R559 IonicContact OE1-CZ 3.64Å; E271-R559 VanDerWaalsContact OE1-CZ 3.32Å; E271-R559 IonicContact OE1-NE 3.99Å; E271-R559 PolarHBondContact OE1-NE 2.96Å; E271-R559 IonicContact OE1-NH2 2.73Å; E271-R559 PolarHBondContact OE1-NH2 3Å; E271-R559 IonicContact OE2-CZ 2.79Å; E271-R559 IonicContact OE2-NE 2.79Å; E271-R559 IonicContact OE2-NH2 3.86Å; E271-R559 PolarHBondContact OE2-NH2 3.31Å; V275-R559 HydrophobicContact CG2-CG 4.12Å; L557-R559 PolarHBondContact O-N 3.31Å; R559-F562 VanDerWaalsContact O-CE1 3.24Å; R559-F562 WeakPolarHBondContact O-CE1 3.26Å; R559-K640 VanDerWaalsContact CD-O 3.22Å; R559-K640 WeakPolarHBondContact CD-O 3.33Å; R559-K640 PolarHBondContact NH1-O 3.34Å; R559-N641 WeakPolarHBondContact CB-O 3.37Å; R559-N641 PolarHBondContact N-O 3.37Å; R559-N641 VanDerWaalsContact N-O 3.12Å |
| 560 | N | 93.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -37.8 | -175.4 | -169.7 | 66.6 | 0 | 0 | 0 | 114.2 | R280 Q284 C558 C618 K620 | R280-N560 PolarHBondContact NE-O 2.97Å; Q284-N560 PolarHBondContact NE2-O 3.43Å; Q284-N560 PolarHBondContact NE2-OD1 3.28Å; C558-N560 PolarHBondContact O-N 2.99Å; N560-C618 PolarHBondContact ND2-SG 3.4Å; N560-K620 HydrophobicContact CB-CB 3.79Å; N560-K620 HydrophobicContact CB-CD 3.99Å; N560-K620 HydrophobicContact CB-CG 3.84Å |
| 561 | C | 93.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 14% | 0.142 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 0.4 | -177.9 | 69.4 | 0 | 0 | 0 | 0 | 113.9 | I323 A563 N615 C618 | I323-C561 HydrophobicContact CD1-CB 3.94Å; C561-A563 PolarHBondContact O-N 2.88Å; C561-N615 PolarHBondContact SG-ND2 2.88Å; C561-N615 VanDerWaalsContact SG-ND2 3.42Å; C561-C618 HydrophobicContact CB-CB 3.91Å; C561-C618 VanDerWaalsContact CB-SG 3.6Å |
| 562 | F | 95.1 | Very high | 96 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 10% | 0.101 | 17% | 0.165 | C | C | . | . | trans | 57.2 | 9 | -179.9 | -53.2 | -30.5 | 0 | 0 | 0 | 116.5 | V275 D278 R280 A283 C558 R559 | V275-F562 HydrophobicContact CB-CE1 4.27Å; V275-F562 HydrophobicContact CB-CZ 4.37Å; V275-F562 HydrophobicContact CG1-CE1 3.99Å; V275-F562 HydrophobicContact CG2-CE1 4.01Å; V275-F562 HydrophobicContact CG2-CZ 4.17Å; D278-F562 WeakPolarHBondContact OD1-CD2 3.39Å; R280-F562 HydrophobicContact CB-CD2 4.18Å; R280-F562 HydrophobicContact CB-CE2 3.73Å; R280-F562 HydrophobicContact CB-CZ 4.47Å; R280-F562 HydrophobicContact CG-CE2 4.44Å; A283-F562 HydrophobicContact CB-CZ 4.32Å; C558-F562 WeakPolarHBondContact O-CA 3.47Å; C558-F562 PolarHBondContact O-N 3Å; R559-F562 VanDerWaalsContact O-CE1 3.24Å; R559-F562 WeakPolarHBondContact O-CE1 3.26Å | ||
| 563 | A | 95.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | trans | -61.8 | 138.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L557 C558 C561 V565 N615 | L557-A563 CarbonylContact C-O 3.48Å; L557-A563 WeakPolarHBondContact CA-O 3.34Å; C558-A563 PolarHBondContact N-O 3Å; C561-A563 PolarHBondContact O-N 2.88Å; A563-V565 WeakPolarHBondContact O-CG1 3.15Å; A563-N615 HydrophobicContact CB-CB 4.02Å | ||
| 564 | E | 96.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 24.9 Ų | 24.9 | 44% | 0.435 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131.3 | 172.8 | -171.5 | 175.7 | 150.4 | 0 | 0 | 110.4 | R555 L557 | R555-E564 HydrophobicContact CB-CG 4.36Å; R555-E564 WeakPolarHBondContact CD-OE2 3.4Å; R555-E564 IonicContact NH1-OE2 3.61Å; R555-E564 PolarHBondContact NH1-OE2 2.75Å; R555-E564 VanDerWaalsContact NH1-OE2 3.15Å; L557-E564 VanDerWaalsContact CD2-CA 3.46Å; L557-E564 HydrophobicContact CD2-CB 3.68Å; L557-E564 HydrophobicContact CD2-CG 4.12Å |
| 565 | V | 96.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | -26.6 | -170.4 | -62.1 | 0 | 0 | 0 | 0 | 113.6 | I556 C558 A563 F586 W622 F642 | I556-V565 HydrophobicContact CB-CG2 4.33Å; I556-V565 HydrophobicContact CG2-CG2 4.03Å; I556-V565 VanDerWaalsContact O-CG2 3.24Å; I556-V565 WeakPolarHBondContact O-CG2 3.49Å; I556-V565 PolarHBondContact O-N 3.45Å; C558-V565 HydrophobicContact CB-CG1 4.29Å; A563-V565 WeakPolarHBondContact O-CG1 3.15Å; V565-F586 HydrophobicContact CB-CE2 4.24Å; V565-F586 VanDerWaalsContact O-CD2 3.26Å; V565-F586 WeakPolarHBondContact O-CD2 3.38Å; V565-F586 VanDerWaalsContact O-CE2 3.29Å; V565-F586 WeakPolarHBondContact O-CE2 3.34Å; V565-W622 HydrophobicContact CB-CH2 3.87Å; V565-W622 HydrophobicContact CB-CZ2 4.42Å; V565-W622 HydrophobicContact CB-CZ3 4.37Å; V565-W622 HydrophobicContact CG1-CH2 3.28Å; V565-W622 HydrophobicContact CG1-CZ2 3.63Å; V565-W622 HydrophobicContact CG1-CZ3 4.22Å; V565-W622 HydrophobicContact CG2-CH2 4.38Å; V565-F642 HydrophobicContact CG2-CD1 3.95Å; V565-F642 HydrophobicContact CG2-CE1 3.85Å |
| 566 | A | 96.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 164.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I556 F571 F586 | I556-A566 WeakPolarHBondContact CA-O 3.37Å; I556-A566 HydrophobicContact CB-CB 4.13Å; I556-A566 WeakPolarHBondContact CB-O 3.43Å; I556-A566 HydrophobicContact CG1-CB 4.32Å; I556-A566 PolarHBondContact N-O 3Å; I556-A566 PolarHBondContact O-N 3.25Å; A566-F571 HydrophobicContact CB-CE2 3.77Å; A566-F571 HydrophobicContact CB-CZ 4.18Å; A566-F586 HydrophobicContact CB-CD2 4.13Å; A566-F586 HydrophobicContact CB-CE2 4.01Å |
| 567 | S | 97.1 | Very high | 92.7 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 153.3 | 162.6 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | I554 S569 D570 F571 | I554-S567 CarbonylContact O-C 3.5Å; S567-S569 WeakPolarHBondContact CB-OG 3.26Å; S567-S569 PolarHBondContact O-N 3.18Å; S567-S569 PolarHBondContact OG-N 2.93Å; S567-S569 PolarHBondContact OG-OG 3.09Å; S567-D570 PolarHBondContact N-OD2 2.92Å; S567-D570 WeakPolarHBondContact O-CB 3.22Å; S567-D570 PolarHBondContact O-N 3.06Å; S567-D570 VanDerWaalsContact O-N 3.13Å; S567-F571 WeakPolarHBondContact O-CD2 3.22Å |
| 568 | G | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -59.6 | -29.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A551 I554 D570 F571 F661 | A551-G568 CarbonylContact O-C 3.56Å; A551-G568 WeakPolarHBondContact O-CA 3.09Å; A551-G568 PolarHBondContact O-N 3.17Å; I554-G568 PolarHBondContact O-N 2.62Å; G568-D570 PolarHBondContact O-N 3.2Å; G568-F571 PolarHBondContact O-N 2.82Å; G568-F661 WeakPolarHBondContact O-CE2 3.43Å |
| 569 | S | 95.4 | Very high | 92.2 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 37% | 0.371 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -68.3 | -17.8 | 176.2 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | A551 S567 F571 | A551-S569 PolarHBondContact O-N 3.06Å; S567-S569 WeakPolarHBondContact CB-OG 3.26Å; S567-S569 PolarHBondContact O-N 3.18Å; S567-S569 PolarHBondContact OG-N 2.93Å; S567-S569 PolarHBondContact OG-OG 3.09Å; S569-F571 PolarHBondContact O-N 3.32Å |
| 570 | D | 96 | Very high | 92.2 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -75.1 | -10.5 | 179.4 | -60.3 | -32.6 | 0 | 0 | 0 | 112.4 | S567 G568 N581 V582 N583 | S567-D570 PolarHBondContact N-OD2 2.92Å; S567-D570 WeakPolarHBondContact O-CB 3.22Å; S567-D570 PolarHBondContact O-N 3.06Å; S567-D570 VanDerWaalsContact O-N 3.13Å; G568-D570 PolarHBondContact O-N 3.2Å; D570-N581 VanDerWaalsContact CB-ND2 3.32Å; D570-N581 WeakPolarHBondContact CB-ND2 3.25Å; D570-N581 CarbonylContact O-C 3.55Å; D570-N581 WeakPolarHBondContact O-CA 3.49Å; D570-V582 WeakPolarHBondContact O-CG2 3.44Å; D570-V582 PolarHBondContact O-N 3.25Å; D570-N583 HydrophobicContact CB-CB 3.95Å; D570-N583 PolarHBondContact OD1-ND2 3.41Å |
| 571 | F | 96.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.1 | -174.6 | -69.4 | -87.5 | 0 | 0 | 0 | 112.4 | I556 A566 S567 G568 S569 V580 N581 L637 W656 V663 | I556-F571 HydrophobicContact CG1-CD2 4.42Å; I556-F571 HydrophobicContact CG1-CE2 3.76Å; A566-F571 HydrophobicContact CB-CE2 3.77Å; A566-F571 HydrophobicContact CB-CZ 4.18Å; S567-F571 WeakPolarHBondContact O-CD2 3.22Å; G568-F571 PolarHBondContact O-N 2.82Å; S569-F571 PolarHBondContact O-N 3.32Å; F571-V580 CarbonylContact C-O 3.51Å; F571-V580 VanDerWaalsContact CA-O 3.31Å; F571-V580 WeakPolarHBondContact CA-O 3.29Å; F571-N581 HydrophobicContact CD1-CB 4.39Å; F571-N581 HydrophobicContact CE1-CB 4.02Å; F571-N581 HydrophobicContact CZ-CB 4.33Å; F571-L637 HydrophobicContact CE1-CB 4.15Å; F571-L637 HydrophobicContact CE1-CD1 3.56Å; F571-L637 HydrophobicContact CE1-CG 4.06Å; F571-L637 HydrophobicContact CZ-CD1 3.67Å; F571-W656 HydrophobicContact CB-CH2 4.25Å; F571-W656 HydrophobicContact CB-CZ3 4.39Å; F571-W656 AromaticContact CD1-CH2 3.34Å; F571-W656 HydrophobicContact CD1-CH2 3.34Å; F571-W656 AromaticContact CD1-CZ2 3.86Å; F571-W656 HydrophobicContact CD1-CZ2 3.86Å; F571-W656 HydrophobicContact CD1-CZ3 4.26Å; F571-W656 HydrophobicContact CD2-CH2 4.18Å; F571-W656 AromaticContact CE1-CH2 3.63Å; F571-W656 HydrophobicContact CE1-CH2 3.63Å; F571-W656 AromaticContact CE1-CZ2 3.94Å; F571-W656 HydrophobicContact CE1-CZ2 3.94Å; F571-W656 HydrophobicContact CE2-CH2 4.45Å; F571-W656 AromaticContact CG-CH2 3.63Å; F571-W656 HydrophobicContact CG-CH2 3.63Å; F571-W656 HydrophobicContact CG-CZ3 4.18Å; F571-W656 HydrophobicContact CZ-CH2 4.19Å; F571-V663 HydrophobicContact CB-CG1 4.39Å; F571-V663 WeakPolarHBondContact O-CG1 3.45Å |
| 572 | K | 95.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.5 | 172 | -57.4 | -63.9 | -173.5 | -170.9 | 0 | 111.1 | Y579 V580 V582 E664 F666 | K572-Y579 WeakPolarHBondContact O-CA 3.46Å; K572-V580 HydrophobicContact CB-CG2 4.31Å; K572-V580 PolarHBondContact N-O 2.77Å; K572-V580 WeakPolarHBondContact O-CG2 3.48Å; K572-V580 PolarHBondContact O-N 3.48Å; K572-V582 HydrophobicContact CB-CG1 4.2Å; K572-V582 HydrophobicContact CG-CG1 3.82Å; K572-V582 HydrophobicContact CG-CG2 3.98Å; K572-E664 CarbonylContact C-O 3.55Å; K572-E664 VanDerWaalsContact CA-O 3.3Å; K572-E664 WeakPolarHBondContact CA-O 3.35Å; K572-E664 HydrophobicContact CD-CB 3.95Å; K572-E664 IonicContact NZ-OE2 3.84Å; K572-E664 PolarHBondContact NZ-OE2 3.07Å; K572-F666 HydrophobicContact CB-CB 3.81Å; K572-F666 HydrophobicContact CB-CD2 4.24Å |
| 573 | L | 93 | Very high | 92.2 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111 | 176.6 | 179.6 | 60.3 | 0 | 0 | 0 | 109.9 | H578 Y579 V663 E664 F666 | L573-H578 CarbonylContact C-O 3.18Å; L573-H578 WeakPolarHBondContact CA-O 3.38Å; L573-Y579 HydrophobicContact CD1-CD1 4.3Å; L573-Y579 HydrophobicContact CD1-CD2 4.16Å; L573-Y579 HydrophobicContact CD1-CE1 3.91Å; L573-Y579 HydrophobicContact CD1-CE2 3.74Å; L573-Y579 HydrophobicContact CD1-CG 4.42Å; L573-V663 HydrophobicContact CB-CG1 4.18Å; L573-E664 PolarHBondContact N-O 2.63Å; L573-F666 PolarHBondContact O-N 3.22Å |
| 574 | L | 87.9 | Confident | 91.9 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.3 | 176.9 | 176.6 | 69.1 | 0 | 0 | 0 | 110.5 | N576 A577 H578 V580 M626 Y628 F666 | L574-N576 PolarHBondContact O-N 3.12Å; L574-N576 VanDerWaalsContact O-N 3.07Å; L574-A577 PolarHBondContact O-N 2.89Å; L574-H578 HydrophobicContact CB-CB 4.14Å; L574-H578 PolarHBondContact N-O 3.39Å; L574-H578 PolarHBondContact O-N 3.23Å; L574-V580 HydrophobicContact CB-CG1 4.4Å; L574-V580 HydrophobicContact CB-CG2 4.15Å; L574-V580 HydrophobicContact CD2-CG1 4.2Å; L574-M626 HydrophobicContact CD2-CE 3.8Å; L574-M626 HydrophobicContact CD2-SD 4.43Å; L574-Y628 HydrophobicContact CD1-CD2 3.94Å; L574-Y628 HydrophobicContact CD1-CE2 3.62Å; L574-Y628 HydrophobicContact CD2-CD2 3.77Å; L574-Y628 HydrophobicContact CD2-CE2 4.22Å; L574-Y628 HydrophobicContact CD2-CG 4.42Å; L574-Y628 HydrophobicContact CG-CD2 4.4Å; L574-Y628 HydrophobicContact CG-CE2 4.37Å; L574-F666 HydrophobicContact CB-CB 4.19Å; L574-F666 HydrophobicContact CD1-CB 4.25Å; L574-F666 HydrophobicContact CD1-CD1 3.43Å; L574-F666 VanDerWaalsContact CD1-CD1 3.43Å; L574-F666 HydrophobicContact CD1-CE1 4.05Å; L574-F666 HydrophobicContact CD1-CG 4.06Å |
| 575 | E | 78.5 | Confident | 91.7 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 33.2 | 178 | -64.6 | 178.5 | -172.7 | 0 | 0 | 114.2 | A577 | E575-A577 PolarHBondContact O-N 2.93Š|
| 576 | N | 74.7 | Confident | 91.6 | Very high | 122 Ų | 122 | 37 Ų | 37 | 65% | 0.652 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 14.4 | -177.1 | -71.2 | -52.2 | 0 | 0 | 0 | 115.6 | L574 | L574-N576 PolarHBondContact O-N 3.12Å; L574-N576 VanDerWaalsContact O-N 3.07Å |
| 577 | A | 79.5 | Confident | 91.4 | Very high | 61 Ų | 61 | 43 Ų | 43 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | -36 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L574 E575 | L574-A577 PolarHBondContact O-N 2.89Å; E575-A577 PolarHBondContact O-N 2.93Å |
| 578 | H | 88.8 | Confident | 91.2 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.1 | -169.9 | -60.9 | -75.9 | 0 | 0 | 0 | 110.7 | L573 L574 W605 M626 | L573-H578 CarbonylContact C-O 3.18Å; L573-H578 WeakPolarHBondContact CA-O 3.38Å; L574-H578 HydrophobicContact CB-CB 4.14Å; L574-H578 PolarHBondContact N-O 3.39Å; L574-H578 PolarHBondContact O-N 3.23Å; H578-W605 AromaticContact CE1-CZ2 3.73Å; H578-W605 AromaticContact NE2-CZ2 3.76Å; H578-M626 HydrophobicContact CB-CE 3.91Å; H578-M626 HydrophobicContact CB-SD 3.75Å |
| 579 | Y | 94.7 | Very high | 91.2 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 100.7 | -177.6 | -68.7 | -100.8 | 0 | 0 | 0 | 107.8 | K572 L573 N636 L637 W656 V663 | K572-Y579 WeakPolarHBondContact O-CA 3.46Å; L573-Y579 HydrophobicContact CD1-CD1 4.3Å; L573-Y579 HydrophobicContact CD1-CD2 4.16Å; L573-Y579 HydrophobicContact CD1-CE1 3.91Å; L573-Y579 HydrophobicContact CD1-CE2 3.74Å; L573-Y579 HydrophobicContact CD1-CG 4.42Å; Y579-N636 PolarHBondContact N-OD1 3.12Å; Y579-N636 VanDerWaalsContact N-OD1 3.15Å; Y579-N636 WeakPolarHBondContact O-CA 3.35Å; Y579-N636 PolarHBondContact O-OD1 3.31Å; Y579-L637 PolarHBondContact O-N 3.31Å; Y579-L637 VanDerWaalsContact O-N 3.09Å; Y579-W656 HydrophobicContact CD1-CB 3.8Å; Y579-W656 AromaticContact CD1-CD2 3.4Å; Y579-W656 HydrophobicContact CD1-CD2 3.4Å; Y579-W656 AromaticContact CD1-CE2 3.97Å; Y579-W656 AromaticContact CD1-CE3 3.53Å; Y579-W656 HydrophobicContact CD1-CE3 3.53Å; Y579-W656 AromaticContact CD1-CG 3.56Å; Y579-W656 HydrophobicContact CD1-CG 3.56Å; Y579-W656 HydrophobicContact CD1-CZ3 4.21Å; Y579-W656 HydrophobicContact CD2-CB 3.79Å; Y579-W656 AromaticContact CD2-CD1 3.28Å; Y579-W656 HydrophobicContact CD2-CD2 4.03Å; Y579-W656 AromaticContact CD2-CG 3.45Å; Y579-W656 HydrophobicContact CD2-CG 3.45Å; Y579-W656 VanDerWaalsContact CD2-CG 3.45Å; Y579-W656 AromaticContact CD2-NE1 3.78Å; Y579-W656 HydrophobicContact CE1-CB 3.45Å; Y579-W656 VanDerWaalsContact CE1-CB 3.45Å; Y579-W656 AromaticContact CE1-CD2 3.98Å; Y579-W656 HydrophobicContact CE1-CD2 3.98Å; Y579-W656 HydrophobicContact CE1-CE3 4.04Å; Y579-W656 AromaticContact CE1-CG 3.77Å; Y579-W656 HydrophobicContact CE1-CG 3.77Å; Y579-W656 HydrophobicContact CE2-CB 3.44Å; Y579-W656 VanDerWaalsContact CE2-CB 3.44Å; Y579-W656 AromaticContact CE2-CD1 3.81Å; Y579-W656 AromaticContact CE2-CG 3.69Å; Y579-W656 HydrophobicContact CE2-CG 3.69Å; Y579-W656 HydrophobicContact CG-CB 3.96Å; Y579-W656 AromaticContact CG-CD1 3.47Å; Y579-W656 VanDerWaalsContact CG-CD1 3.47Å; Y579-W656 AromaticContact CG-CD2 3.43Å; Y579-W656 HydrophobicContact CG-CD2 3.43Å; Y579-W656 VanDerWaalsContact CG-CD2 3.43Å; Y579-W656 AromaticContact CG-CE2 3.58Å; Y579-W656 HydrophobicContact CG-CE3 4.04Å; Y579-W656 AromaticContact CG-CG 3.39Å; Y579-W656 HydrophobicContact CG-CG 3.39Å; Y579-W656 HydrophobicContact CG-CZ2 4.3Å; Y579-W656 AromaticContact CG-NE1 3.59Å; Y579-W656 AromaticContact CZ-CG 3.83Å; Y579-V663 HydrophobicContact CD1-CB 4.43Å; Y579-V663 HydrophobicContact CD1-CG1 4Å; Y579-V663 HydrophobicContact CD1-CG2 4.24Å; Y579-V663 HydrophobicContact CE1-CB 4.21Å; Y579-V663 HydrophobicContact CE1-CG1 4.2Å; Y579-V663 HydrophobicContact CE1-CG2 4.11Å |
| 580 | V | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.9 | -169.9 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | F571 K572 L574 V582 M626 L634 P635 N636 F666 | F571-V580 CarbonylContact C-O 3.51Å; F571-V580 VanDerWaalsContact CA-O 3.31Å; F571-V580 WeakPolarHBondContact CA-O 3.29Å; K572-V580 HydrophobicContact CB-CG2 4.31Å; K572-V580 PolarHBondContact N-O 2.77Å; K572-V580 WeakPolarHBondContact O-CG2 3.48Å; K572-V580 PolarHBondContact O-N 3.48Å; L574-V580 HydrophobicContact CB-CG1 4.4Å; L574-V580 HydrophobicContact CB-CG2 4.15Å; L574-V580 HydrophobicContact CD2-CG1 4.2Å; V580-V582 HydrophobicContact CG2-CG1 4.28Å; V580-M626 HydrophobicContact CG1-SD 4.05Å; V580-L634 HydrophobicContact CB-CB 3.97Å; V580-L634 HydrophobicContact CG1-CB 3.91Å; V580-L634 HydrophobicContact CG2-CD1 4.27Å; V580-P635 WeakPolarHBondContact CA-O 3.49Å; V580-N636 HydrophobicContact CG1-CB 4.22Å; V580-F666 HydrophobicContact CG2-CD2 4.33Å |
| 581 | N | 96.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.011 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.8 | 167.8 | -171.5 | -63.3 | 0 | 0 | 0 | 109.1 | D570 F571 N583 F586 P635 | D570-N581 VanDerWaalsContact CB-ND2 3.32Å; D570-N581 WeakPolarHBondContact CB-ND2 3.25Å; D570-N581 CarbonylContact O-C 3.55Å; D570-N581 WeakPolarHBondContact O-CA 3.49Å; F571-N581 HydrophobicContact CD1-CB 4.39Å; F571-N581 HydrophobicContact CE1-CB 4.02Å; F571-N581 HydrophobicContact CZ-CB 4.33Å; N581-N583 VanDerWaalsContact OD1-CB 3.31Å; N581-N583 WeakPolarHBondContact OD1-CB 3.37Å; N581-N583 PolarHBondContact OD1-N 3.41Å; N581-F586 HydrophobicContact CB-CD1 3.91Å; N581-F586 HydrophobicContact CB-CE1 4.24Å; N581-F586 HydrophobicContact CB-CG 4.23Å; N581-F586 WeakPolarHBondContact OD1-CB 3.19Å; N581-P635 PolarHBondContact N-O 2.97Å; N581-P635 WeakPolarHBondContact O-CD 3.26Å |
| 582 | V | 94.4 | Very high | 91.2 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | trans | -102.8 | -1.4 | -178.6 | -60 | 0 | 0 | 0 | 0 | 113.3 | D570 K572 V580 L634 F666 F675 | D570-V582 WeakPolarHBondContact O-CG2 3.44Å; D570-V582 PolarHBondContact O-N 3.25Å; K572-V582 HydrophobicContact CB-CG1 4.2Å; K572-V582 HydrophobicContact CG-CG1 3.82Å; K572-V582 HydrophobicContact CG-CG2 3.98Å; V580-V582 HydrophobicContact CG2-CG1 4.28Å; V582-L634 HydrophobicContact CG1-CD2 4.25Å; V582-F666 HydrophobicContact CG1-CD2 3.88Å; V582-F666 HydrophobicContact CG1-CE2 4Å; V582-F675 WeakPolarHBondContact O-CZ 3.23Å | ||
| 583 | N | 92.4 | Very high | 90.9 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -75.3 | 123.3 | -178.3 | -175.4 | -36.3 | 0 | 0 | 0 | 110.5 | D570 N581 D585 F586 | D570-N583 HydrophobicContact CB-CB 3.95Å; D570-N583 PolarHBondContact OD1-ND2 3.41Å; N581-N583 VanDerWaalsContact OD1-CB 3.31Å; N581-N583 WeakPolarHBondContact OD1-CB 3.37Å; N581-N583 PolarHBondContact OD1-N 3.41Å; N583-D585 PolarHBondContact O-N 3.17Å; N583-D585 WeakPolarHBondContact OD1-CB 3.48Å; N583-D585 PolarHBondContact OD1-N 3.03Å; N583-F586 HydrophobicContact CB-CB 4.43Å; N583-F586 WeakPolarHBondContact O-CB 3.41Å; N583-F586 PolarHBondContact O-N 3.46Å; N583-F586 VanDerWaalsContact O-N 3.11Å | ||
| 584 | P | 88.5 | Confident | 90.7 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -65.9 | -26.2 | -174.7 | 29.9 | -38.8 | 0 | 0 | 0 | 113.1 | F586 K587 F675 | P584-F586 VanDerWaalsContact C-N 3.27Å; P584-F586 PolarHBondContact O-N 2.69Å; P584-K587 WeakPolarHBondContact O-CD 3.26Å; P584-K587 VanDerWaalsContact O-CG 3.31Å; P584-K587 WeakPolarHBondContact O-CG 3.38Å; P584-F675 HydrophobicContact CB-CE1 4.06Å; P584-F675 HydrophobicContact CG-CE1 3.71Å; P584-F675 HydrophobicContact CG-CZ 4.41Å |
| 585 | D | 91.4 | Very high | 90.7 | Very high | 100 Ų | 100 | 67.1 Ų | 67.1 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -80.7 | -11.6 | 179.9 | -67.7 | -33.5 | 0 | 0 | 0 | 112.5 | N583 K587 N588 | N583-D585 PolarHBondContact O-N 3.17Å; N583-D585 WeakPolarHBondContact OD1-CB 3.48Å; N583-D585 PolarHBondContact OD1-N 3.03Å; D585-K587 PolarHBondContact O-N 3Å; D585-K587 VanDerWaalsContact O-N 3.15Å; D585-N588 WeakPolarHBondContact O-CB 3.27Å; D585-N588 PolarHBondContact O-N 2.9Å; D585-N588 PolarHBondContact O-ND2 3.11Å |
| 586 | F | 94.7 | Very high | 91 | Very high | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.022 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -61.4 | -24.9 | 178 | -169.8 | -109.4 | 0 | 0 | 0 | 112.3 | V565 A566 N581 N583 P584 N588 R589 Y590 W622 P635 L637 | V565-F586 HydrophobicContact CB-CE2 4.24Å; V565-F586 VanDerWaalsContact O-CD2 3.26Å; V565-F586 WeakPolarHBondContact O-CD2 3.38Å; V565-F586 VanDerWaalsContact O-CE2 3.29Å; V565-F586 WeakPolarHBondContact O-CE2 3.34Å; A566-F586 HydrophobicContact CB-CD2 4.13Å; A566-F586 HydrophobicContact CB-CE2 4.01Å; N581-F586 HydrophobicContact CB-CD1 3.91Å; N581-F586 HydrophobicContact CB-CE1 4.24Å; N581-F586 HydrophobicContact CB-CG 4.23Å; N581-F586 WeakPolarHBondContact OD1-CB 3.19Å; N583-F586 HydrophobicContact CB-CB 4.43Å; N583-F586 WeakPolarHBondContact O-CB 3.41Å; N583-F586 PolarHBondContact O-N 3.46Å; N583-F586 VanDerWaalsContact O-N 3.11Å; P584-F586 VanDerWaalsContact C-N 3.27Å; P584-F586 PolarHBondContact O-N 2.69Å; F586-N588 PolarHBondContact O-N 3.33Å; F586-N588 VanDerWaalsContact O-N 3.1Å; F586-R589 HydrophobicContact CD2-CB 4.11Å; F586-R589 HydrophobicContact CD2-CG 4.28Å; F586-R589 HydrophobicContact CE2-CB 4.14Å; F586-R589 WeakPolarHBondContact O-CB 3.47Å; F586-R589 PolarHBondContact O-N 2.97Å; F586-Y590 AromaticContact CD1-CD1 3.63Å; F586-Y590 HydrophobicContact CD1-CD1 3.63Å; F586-Y590 AromaticContact CD1-CE1 3.7Å; F586-Y590 HydrophobicContact CD1-CE1 3.7Å; F586-Y590 AromaticContact CE1-CD1 3.61Å; F586-Y590 HydrophobicContact CE1-CD1 3.61Å; F586-Y590 HydrophobicContact CE1-CE1 4.05Å; F586-Y590 HydrophobicContact CG-CD1 4.46Å; F586-Y590 HydrophobicContact CZ-CD1 4.43Å; F586-Y590 WeakPolarHBondContact O-CD1 3.39Å; F586-Y590 WeakPolarHBondContact O-CE1 3.48Å; F586-W622 HydrophobicContact CE2-CZ3 4.42Å; F586-W622 HydrophobicContact CZ-CE3 4.09Å; F586-W622 AromaticContact CZ-CZ3 3.96Å; F586-W622 HydrophobicContact CZ-CZ3 3.96Å; F586-P635 HydrophobicContact CD1-CB 4.12Å; F586-P635 HydrophobicContact CD1-CG 3.99Å; F586-P635 HydrophobicContact CE1-CB 3.96Å; F586-P635 HydrophobicContact CE1-CG 4.31Å; F586-L637 HydrophobicContact CE1-CD1 3.74Å; F586-L637 HydrophobicContact CE1-CD2 4.28Å; F586-L637 HydrophobicContact CE1-CG 4.5Å; F586-L637 HydrophobicContact CE2-CD1 4.42Å; F586-L637 HydrophobicContact CZ-CD1 3.47Å; F586-L637 VanDerWaalsContact CZ-CD1 3.47Å |
| 587 | K | 92.7 | Very high | 91.2 | Very high | 131 Ų | 131 | 63.5 Ų | 63.5 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -54.7 | -26.5 | 172.1 | 73.4 | -170.2 | 174.5 | -175 | 0 | 113.9 | P584 D585 R589 Y590 | P584-K587 WeakPolarHBondContact O-CD 3.26Å; P584-K587 VanDerWaalsContact O-CG 3.31Å; P584-K587 WeakPolarHBondContact O-CG 3.38Å; D585-K587 PolarHBondContact O-N 3Å; D585-K587 VanDerWaalsContact O-N 3.15Å; K587-R589 VanDerWaalsContact C-N 3.27Å; K587-R589 PolarHBondContact O-N 3.29Å; K587-Y590 VanDerWaalsContact CA-CE1 3.45Å; K587-Y590 HydrophobicContact CB-CE1 4.36Å |
| 588 | N | 94.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -78.7 | -13.8 | 178 | -58.4 | -38.4 | 0 | 0 | 0 | 112.3 | D585 F586 N614 | D585-N588 WeakPolarHBondContact O-CB 3.27Å; D585-N588 PolarHBondContact O-N 2.9Å; D585-N588 PolarHBondContact O-ND2 3.11Å; F586-N588 PolarHBondContact O-N 3.33Å; F586-N588 VanDerWaalsContact O-N 3.1Å; N588-N614 PolarHBondContact O-ND2 3.24Å |
| 589 | R | 95.9 | Very high | 89.7 | Confident | 138 Ų | 138 | 67.1 Ų | 67.1 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -13.1 | -174 | -56.1 | -63.1 | -172.9 | 174 | 1.4 | 113.7 | F586 K587 N614 W622 | F586-R589 HydrophobicContact CD2-CB 4.11Å; F586-R589 HydrophobicContact CD2-CG 4.28Å; F586-R589 HydrophobicContact CE2-CB 4.14Å; F586-R589 WeakPolarHBondContact O-CB 3.47Å; F586-R589 PolarHBondContact O-N 2.97Å; K587-R589 VanDerWaalsContact C-N 3.27Å; K587-R589 PolarHBondContact O-N 3.29Å; R589-N614 VanDerWaalsContact C-CB 3.43Å; R589-N614 VanDerWaalsContact O-CB 3.23Å; R589-N614 WeakPolarHBondContact O-CB 3.34Å; R589-N614 PolarHBondContact O-N 3.02Å; R589-W622 VanDerWaalsContact O-CH2 3.26Å; R589-W622 WeakPolarHBondContact O-CH2 3.31Å; R589-W622 VanDerWaalsContact O-CZ3 3.27Å; R589-W622 WeakPolarHBondContact O-CZ3 3.31Å |
| 590 | Y | 96.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 156.8 | 178.2 | 70 | -93.6 | 0 | 0 | 0 | 113.5 | F586 K587 L592 V611 S612 E625 P635 | F586-Y590 AromaticContact CD1-CD1 3.63Å; F586-Y590 HydrophobicContact CD1-CD1 3.63Å; F586-Y590 AromaticContact CD1-CE1 3.7Å; F586-Y590 HydrophobicContact CD1-CE1 3.7Å; F586-Y590 AromaticContact CE1-CD1 3.61Å; F586-Y590 HydrophobicContact CE1-CD1 3.61Å; F586-Y590 HydrophobicContact CE1-CE1 4.05Å; F586-Y590 HydrophobicContact CG-CD1 4.46Å; F586-Y590 HydrophobicContact CZ-CD1 4.43Å; F586-Y590 WeakPolarHBondContact O-CD1 3.39Å; F586-Y590 WeakPolarHBondContact O-CE1 3.48Å; K587-Y590 VanDerWaalsContact CA-CE1 3.45Å; K587-Y590 HydrophobicContact CB-CE1 4.36Å; Y590-L592 HydrophobicContact CD2-CD2 4.26Å; Y590-L592 HydrophobicContact CE2-CD2 3.68Å; Y590-L592 HydrophobicContact CE2-CG 4.45Å; Y590-V611 HydrophobicContact CD2-CB 3.62Å; Y590-V611 HydrophobicContact CD2-CG1 3.44Å; Y590-V611 VanDerWaalsContact CD2-CG1 3.44Å; Y590-V611 HydrophobicContact CE2-CB 4.23Å; Y590-V611 HydrophobicContact CE2-CG1 3.52Å; Y590-V611 HydrophobicContact CG-CB 3.99Å; Y590-V611 HydrophobicContact CG-CG1 4.17Å; Y590-S612 CarbonylContact C-O 3.53Å; Y590-S612 WeakPolarHBondContact CA-O 3.48Å; Y590-S612 VanDerWaalsContact CB-O 3.29Å; Y590-S612 WeakPolarHBondContact CB-O 2.82Å; Y590-E625 PolarHBondContact OH-OE1 2.91Å; Y590-P635 HydrophobicContact CD1-CG 4.47Å; Y590-P635 HydrophobicContact CE1-CB 4.31Å; Y590-P635 HydrophobicContact CE1-CG 3.58Å |
| 591 | K | 94.9 | Very high | 87 | Confident | 73 Ų | 73 | 81.8 Ų | 81.8 | 32% | 0.317 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 149.5 | 170.8 | -62.3 | 176.4 | -172.6 | 165.7 | 0 | 109.5 | V611 S612 N614 G616 N619 | K591-V611 WeakPolarHBondContact O-CA 3.36Å; K591-S612 PolarHBondContact N-O 3.18Å; K591-S612 PolarHBondContact O-N 3.19Å; K591-N614 WeakPolarHBondContact CE-OD1 3.38Å; K591-N614 HydrophobicContact CG-CB 3.95Å; K591-N614 VanDerWaalsContact CG-OD1 3.25Å; K591-N614 WeakPolarHBondContact CG-OD1 3.47Å; K591-G616 PolarHBondContact NZ-O 3.17Å; K591-N619 PolarHBondContact NZ-OD1 2.75Å |
| 592 | L | 94.8 | Very high | 85.9 | Confident | 103 Ų | 103 | 84.2 Ų | 84.2 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134.3 | 173.5 | -62 | 176.3 | 0 | 0 | 0 | 110.6 | Y590 C609 T610 V611 E625 | Y590-L592 HydrophobicContact CD2-CD2 4.26Å; Y590-L592 HydrophobicContact CE2-CD2 3.68Å; Y590-L592 HydrophobicContact CE2-CG 4.45Å; L592-C609 HydrophobicContact CB-CB 4.33Å; L592-C609 HydrophobicContact CD2-CB 4.06Å; L592-T610 WeakPolarHBondContact CA-O 3.17Å; L592-V611 HydrophobicContact CD2-CG1 4.35Å; L592-E625 HydrophobicContact CD2-CG 4.12Å; L592-E625 VanDerWaalsContact CD2-OE1 3.32Å; L592-E625 WeakPolarHBondContact CD2-OE1 3.28Å |
| 593 | G | 90.9 | Very high | 84.8 | Confident | 38 Ų | 38 | 91.6 Ų | 91.6 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -145.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T610 | G593-T610 VanDerWaalsContact CA-OG1 3.29Å; G593-T610 WeakPolarHBondContact CA-OG1 3.08Å; G593-T610 PolarHBondContact N-O 2.81Å |
| 594 | G | 88.2 | Confident | 84.3 | Confident | 50 Ų | 50 | 91.2 Ų | 91.2 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 155.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V596 C609 T610 | G594-V596 PolarHBondContact O-N 3.03Å; G594-C609 WeakPolarHBondContact O-CA 3.49Å; G594-T610 PolarHBondContact N-OG1 3.48Å; G594-T610 PolarHBondContact O-N 3.15Å |
| 595 | K | 88.6 | Confident | 84.2 | Confident | 160 Ų | 160 | 88.6 Ų | 88.6 | 70% | 0.696 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 130.3 | 173.7 | -172.2 | 175.4 | -178.8 | 179.1 | 0 | 110 | ||
| 596 | V | 83.9 | Confident | 84 | Confident | 25 Ų | 25 | 88.3 Ų | 88.3 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 125 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | G594 L598 P607 G608 T610 F624 | G594-V596 PolarHBondContact O-N 3.03Å; V596-L598 HydrophobicContact CG1-CD2 3.97Å; V596-L598 HydrophobicContact CG1-CG 4.05Å; V596-P607 HydrophobicContact CB-CB 4.03Å; V596-P607 HydrophobicContact CG1-CB 3.96Å; V596-P607 WeakPolarHBondContact O-CG 3.42Å; V596-G608 WeakPolarHBondContact CB-O 3.49Å; V596-G608 PolarHBondContact N-O 3.35Å; V596-T610 HydrophobicContact CG2-CG2 3.49Å; V596-T610 VanDerWaalsContact CG2-CG2 3.49Å; V596-F624 HydrophobicContact CB-CB 4.49Å; V596-F624 HydrophobicContact CG2-CB 3.66Å; V596-F624 HydrophobicContact CG2-CG 4.28Å |
| 597 | V | 78.4 | Confident | 83.7 | Confident | 110 Ų | 110 | 89.1 Ų | 89.1 | 67% | 0.667 | 43% | 0.431 | S | S | * | . | trans | -106.5 | 116.1 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 598 | L | 73.4 | Confident | 83.6 | Confident | 54 Ų | 54 | 83 Ų | 83 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | trans | -104.8 | 130.3 | 168.5 | -58.4 | 177.5 | 0 | 0 | 0 | 107.1 | V596 R600 F602 W605 P607 | V596-L598 HydrophobicContact CG1-CD2 3.97Å; V596-L598 HydrophobicContact CG1-CG 4.05Å; L598-R600 PolarHBondContact O-N 3.02Å; L598-F602 HydrophobicContact CB-CE2 4.34Å; L598-F602 HydrophobicContact CD1-CE2 3.68Å; L598-F602 HydrophobicContact CD1-CZ 4.29Å; L598-W605 HydrophobicContact CD1-CH2 3.46Å; L598-W605 VanDerWaalsContact CD1-CH2 3.46Å; L598-W605 HydrophobicContact CD1-CZ3 3.81Å; L598-P607 HydrophobicContact CB-CG 4.12Å; L598-P607 HydrophobicContact CD1-CB 3.88Å; L598-P607 HydrophobicContact CD1-CG 3.99Å; L598-P607 HydrophobicContact CG-CB 4.01Å; L598-P607 HydrophobicContact CG-CG 3.87Å | ||
| 599 | E | 63.3 | Low | 83.5 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -68.1 | -26.8 | 175.5 | -66.5 | -169 | 179.4 | 0 | 0 | 112 | T418 | T418-E599 WeakPolarHBondContact CB-OE2 3.33Å; T418-E599 HydrophobicContact CG2-CG 4.16Å; T418-E599 WeakPolarHBondContact CG2-OE1 3.41Å; T418-E599 WeakPolarHBondContact CG2-OE2 3.24Å; T418-E599 PolarHBondContact OG1-OE2 2.94Å |
| 600 | R | 66.3 | Low | 83.4 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 44% | 0.438 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -80.3 | 132.9 | 176.3 | -177.6 | 167.5 | 171.2 | 175.5 | -5.9 | 110.5 | G86 L598 F602 | G86-R600 PolarHBondContact O-NH1 3.27Å; L598-R600 PolarHBondContact O-N 3.02Å; R600-F602 HydrophobicContact CB-CE2 4.22Å; R600-F602 HydrophobicContact CB-CZ 4.05Å; R600-F602 HydrophobicContact CG-CE1 4.08Å; R600-F602 HydrophobicContact CG-CE2 4.24Å; R600-F602 HydrophobicContact CG-CZ 3.89Å; R600-F602 VanDerWaalsContact O-CE2 3.29Å; R600-F602 WeakPolarHBondContact O-CE2 3.25Å |
| 601 | R | 67.1 | Low | 83.4 | Confident | 235 Ų | 235 | 74.6 Ų | 74.6 | 89% | 0.887 | 38% | 0.376 | S | S | * | . | trans | -87.7 | 141.6 | 168.3 | -62 | -175.8 | -177.5 | -174.7 | 0.7 | 109.8 | ||||
| 602 | F | 73.9 | Confident | 83.4 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 23% | 0.232 | 37% | 0.366 | C | S | . | . | trans | -117.3 | 145.8 | 174.2 | -52.3 | -92.7 | 0 | 0 | 0 | 107.9 | L598 R600 W605 | L598-F602 HydrophobicContact CB-CE2 4.34Å; L598-F602 HydrophobicContact CD1-CE2 3.68Å; L598-F602 HydrophobicContact CD1-CZ 4.29Å; R600-F602 HydrophobicContact CB-CE2 4.22Å; R600-F602 HydrophobicContact CB-CZ 4.05Å; R600-F602 HydrophobicContact CG-CE1 4.08Å; R600-F602 HydrophobicContact CG-CE2 4.24Å; R600-F602 HydrophobicContact CG-CZ 3.89Å; R600-F602 VanDerWaalsContact O-CE2 3.29Å; R600-F602 WeakPolarHBondContact O-CE2 3.25Å; F602-W605 HydrophobicContact CB-CD2 4.03Å; F602-W605 HydrophobicContact CB-CG 4.03Å; F602-W605 HydrophobicContact CB-CZ2 4.31Å; F602-W605 WeakPolarHBondContact CB-O 3.36Å; F602-W605 AromaticContact CD1-CE2 3.69Å; F602-W605 AromaticContact CD1-CZ2 3.6Å; F602-W605 HydrophobicContact CD1-CZ2 3.6Å; F602-W605 AromaticContact CD1-NE1 3.64Å; F602-W605 HydrophobicContact CD2-CD2 4.06Å; F602-W605 AromaticContact CD2-CE2 3.55Å; F602-W605 HydrophobicContact CD2-CE3 4.31Å; F602-W605 AromaticContact CD2-CH2 3.65Å; F602-W605 HydrophobicContact CD2-CH2 3.65Å; F602-W605 AromaticContact CD2-CZ2 3.34Å; F602-W605 HydrophobicContact CD2-CZ2 3.34Å; F602-W605 HydrophobicContact CD2-CZ3 4.11Å; F602-W605 HydrophobicContact CE1-CH2 4.44Å; F602-W605 AromaticContact CE1-CZ2 3.62Å; F602-W605 HydrophobicContact CE1-CZ2 3.62Å; F602-W605 AromaticContact CE2-CH2 3.46Å; F602-W605 HydrophobicContact CE2-CH2 3.46Å; F602-W605 VanDerWaalsContact CE2-CH2 3.46Å; F602-W605 AromaticContact CE2-CZ2 3.39Å; F602-W605 HydrophobicContact CE2-CZ2 3.39Å; F602-W605 HydrophobicContact CE2-CZ3 4.23Å; F602-W605 HydrophobicContact CG-CD2 4.05Å; F602-W605 AromaticContact CG-CE2 3.33Å; F602-W605 HydrophobicContact CG-CH2 4.24Å; F602-W605 AromaticContact CG-CZ2 3.47Å; F602-W605 HydrophobicContact CG-CZ2 3.47Å; F602-W605 VanDerWaalsContact CG-CZ2 3.47Å; F602-W605 AromaticContact CG-NE1 3.48Å; F602-W605 AromaticContact CZ-CH2 3.89Å; F602-W605 HydrophobicContact CZ-CH2 3.89Å; F602-W605 AromaticContact CZ-CZ2 3.53Å; F602-W605 HydrophobicContact CZ-CZ2 3.53Å | ||
| 603 | E | 70.7 | Confident | 83.5 | Confident | 180 Ų | 180 | 67 Ų | 67 | 84% | 0.841 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -66.2 | -52.7 | -173.8 | -179.4 | 174.4 | -169.1 | 0 | 0 | 111 | ||
| 604 | D | 81.4 | Confident | 83.6 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -94.6 | -5.1 | -173.4 | -78 | -45.7 | 0 | 0 | 0 | 113.7 | Y628 R629 | D604-Y628 HydrophobicContact CB-CD2 3.99Å; D604-Y628 HydrophobicContact CB-CE2 3.29Å; D604-Y628 CarbonylContact O-C 3.53Å; D604-Y628 WeakPolarHBondContact O-CA 3.16Å; D604-Y628 WeakPolarHBondContact O-CD2 3.42Å; D604-Y628 PolarHBondContact OD2-OH 2.99Å; D604-R629 HydrophobicContact CB-CG 4.37Å; D604-R629 PolarHBondContact O-N 3.44Å; D604-R629 IonicContact OD1-NE 3.25Å; D604-R629 PolarHBondContact OD1-NE 2.85Å; D604-R629 IonicContact OD1-NH2 2.66Å; D604-R629 IonicContact OD2-NH2 3.83Å |
| 605 | W | 86.4 | Confident | 83.9 | Confident | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.038 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.3 | -177.8 | 69.8 | -88.5 | 0 | 0 | 0 | 116.2 | H578 L598 F602 P607 F624 M626 K627 Y628 | H578-W605 AromaticContact CE1-CZ2 3.73Å; H578-W605 AromaticContact NE2-CZ2 3.76Å; L598-W605 HydrophobicContact CD1-CH2 3.46Å; L598-W605 VanDerWaalsContact CD1-CH2 3.46Å; L598-W605 HydrophobicContact CD1-CZ3 3.81Å; F602-W605 HydrophobicContact CB-CD2 4.03Å; F602-W605 HydrophobicContact CB-CG 4.03Å; F602-W605 HydrophobicContact CB-CZ2 4.31Å; F602-W605 WeakPolarHBondContact CB-O 3.36Å; F602-W605 AromaticContact CD1-CE2 3.69Å; F602-W605 AromaticContact CD1-CZ2 3.6Å; F602-W605 HydrophobicContact CD1-CZ2 3.6Å; F602-W605 AromaticContact CD1-NE1 3.64Å; F602-W605 HydrophobicContact CD2-CD2 4.06Å; F602-W605 AromaticContact CD2-CE2 3.55Å; F602-W605 HydrophobicContact CD2-CE3 4.31Å; F602-W605 AromaticContact CD2-CH2 3.65Å; F602-W605 HydrophobicContact CD2-CH2 3.65Å; F602-W605 AromaticContact CD2-CZ2 3.34Å; F602-W605 HydrophobicContact CD2-CZ2 3.34Å; F602-W605 HydrophobicContact CD2-CZ3 4.11Å; F602-W605 HydrophobicContact CE1-CH2 4.44Å; F602-W605 AromaticContact CE1-CZ2 3.62Å; F602-W605 HydrophobicContact CE1-CZ2 3.62Å; F602-W605 AromaticContact CE2-CH2 3.46Å; F602-W605 HydrophobicContact CE2-CH2 3.46Å; F602-W605 VanDerWaalsContact CE2-CH2 3.46Å; F602-W605 AromaticContact CE2-CZ2 3.39Å; F602-W605 HydrophobicContact CE2-CZ2 3.39Å; F602-W605 HydrophobicContact CE2-CZ3 4.23Å; F602-W605 HydrophobicContact CG-CD2 4.05Å; F602-W605 AromaticContact CG-CE2 3.33Å; F602-W605 HydrophobicContact CG-CH2 4.24Å; F602-W605 AromaticContact CG-CZ2 3.47Å; F602-W605 HydrophobicContact CG-CZ2 3.47Å; F602-W605 VanDerWaalsContact CG-CZ2 3.47Å; F602-W605 AromaticContact CG-NE1 3.48Å; F602-W605 AromaticContact CZ-CH2 3.89Å; F602-W605 HydrophobicContact CZ-CH2 3.89Å; F602-W605 AromaticContact CZ-CZ2 3.53Å; F602-W605 HydrophobicContact CZ-CZ2 3.53Å; W605-P607 HydrophobicContact CZ3-CB 4.18Å; W605-F624 HydrophobicContact CH2-CE2 4.08Å; W605-F624 HydrophobicContact CH2-CZ 4.3Å; W605-F624 AromaticContact CZ3-CE2 3.86Å; W605-F624 HydrophobicContact CZ3-CE2 3.86Å; W605-M626 HydrophobicContact CB-CE 4.48Å; W605-M626 HydrophobicContact CD2-CE 3.26Å; W605-M626 HydrophobicContact CD2-CG 4.45Å; W605-M626 HydrophobicContact CE3-CB 4.12Å; W605-M626 HydrophobicContact CE3-CE 3.68Å; W605-M626 HydrophobicContact CE3-CG 3.9Å; W605-M626 HydrophobicContact CG-CE 3.63Å; W605-M626 HydrophobicContact CH2-CE 4.07Å; W605-M626 HydrophobicContact CZ2-CE 3.68Å; W605-M626 HydrophobicContact CZ3-CE 4.08Å; W605-M626 HydrophobicContact CZ3-CG 4Å; W605-K627 VanDerWaalsContact CA-O 3.22Å; W605-K627 WeakPolarHBondContact CA-O 3.28Å; W605-K627 WeakPolarHBondContact CB-O 3.38Å; W605-Y628 HydrophobicContact CB-CD2 3.99Å |
| 606 | E | 87.3 | Confident | 83.8 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147 | 170.9 | 64.5 | 171.8 | -152.4 | 0 | 0 | 111.6 | K627 | E606-K627 HydrophobicContact CG-CB 3.73Å; E606-K627 HydrophobicContact CG-CD 3.85Å; E606-K627 HydrophobicContact CG-CG 4.36Å; E606-K627 PolarHBondContact N-O 3.49Å; E606-K627 PolarHBondContact O-N 3.08Å; E606-K627 WeakPolarHBondContact OE1-CD 3.38Å; E606-K627 IonicContact OE1-NZ 3.86Å; E606-K627 PolarHBondContact OE1-NZ 2.98Å; E606-K627 VanDerWaalsContact OE1-NZ 3.11Å |
| 607 | P | 89 | Confident | 84.1 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135 | 174.9 | 28.5 | -35.1 | 0 | 0 | 0 | 111.2 | V596 L598 W605 F624 | V596-P607 HydrophobicContact CB-CB 4.03Å; V596-P607 HydrophobicContact CG1-CB 3.96Å; V596-P607 WeakPolarHBondContact O-CG 3.42Å; L598-P607 HydrophobicContact CB-CG 4.12Å; L598-P607 HydrophobicContact CD1-CB 3.88Å; L598-P607 HydrophobicContact CD1-CG 3.99Å; L598-P607 HydrophobicContact CG-CB 4.01Å; L598-P607 HydrophobicContact CG-CG 3.87Å; W605-P607 HydrophobicContact CZ3-CB 4.18Å; P607-F624 HydrophobicContact CB-CD2 4.49Å |
| 608 | G | 90.4 | Very high | 84.6 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -134.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | V596 E625 | V596-G608 WeakPolarHBondContact CB-O 3.49Å; V596-G608 PolarHBondContact N-O 3.35Å; G608-E625 PolarHBondContact N-O 2.7Å |
| 609 | C | 92.8 | Very high | 85.4 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 162.2 | 179.9 | -67 | 0 | 0 | 0 | 0 | 112.3 | L592 G594 F624 E625 | L592-C609 HydrophobicContact CB-CB 4.33Å; L592-C609 HydrophobicContact CD2-CB 4.06Å; G594-C609 WeakPolarHBondContact O-CA 3.49Å; C609-F624 CarbonylContact O-C 3.6Å; C609-F624 VanDerWaalsContact O-CA 3.25Å; C609-F624 WeakPolarHBondContact O-CA 3.42Å; C609-F624 WeakPolarHBondContact O-CB 3.44Å; C609-E625 PolarHBondContact N-OE2 2.94Å; C609-E625 PolarHBondContact O-N 2.92Å |
| 610 | T | 93.4 | Very high | 86.8 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 146 | 169 | 57 | 0 | 0 | 0 | 0 | 110.2 | L592 G593 G594 V596 | L592-T610 WeakPolarHBondContact CA-O 3.17Å; G593-T610 VanDerWaalsContact CA-OG1 3.29Å; G593-T610 WeakPolarHBondContact CA-OG1 3.08Å; G593-T610 PolarHBondContact N-O 2.81Å; G594-T610 PolarHBondContact N-OG1 3.48Å; G594-T610 PolarHBondContact O-N 3.15Å; V596-T610 HydrophobicContact CG2-CG2 3.49Å; V596-T610 VanDerWaalsContact CG2-CG2 3.49Å |
| 611 | V | 95.7 | Very high | 88 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.8 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | Y590 K591 L592 W622 G623 E625 L637 | Y590-V611 HydrophobicContact CD2-CB 3.62Å; Y590-V611 HydrophobicContact CD2-CG1 3.44Å; Y590-V611 VanDerWaalsContact CD2-CG1 3.44Å; Y590-V611 HydrophobicContact CE2-CB 4.23Å; Y590-V611 HydrophobicContact CE2-CG1 3.52Å; Y590-V611 HydrophobicContact CG-CB 3.99Å; Y590-V611 HydrophobicContact CG-CG1 4.17Å; K591-V611 WeakPolarHBondContact O-CA 3.36Å; L592-V611 HydrophobicContact CD2-CG1 4.35Å; V611-W622 HydrophobicContact CG2-CB 4.26Å; V611-W622 PolarHBondContact O-N 3.25Å; V611-G623 VanDerWaalsContact CG2-C 3.5Å; V611-G623 PolarHBondContact N-O 2.87Å; V611-G623 PolarHBondContact O-N 3.45Å; V611-E625 HydrophobicContact CG1-CG 3.68Å; V611-L637 HydrophobicContact CG2-CD2 3.71Å |
| 612 | S | 95.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 48 Ų | 48 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 159.7 | -179.4 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | Y590 K591 N614 K620 | Y590-S612 CarbonylContact C-O 3.53Å; Y590-S612 WeakPolarHBondContact CA-O 3.48Å; Y590-S612 VanDerWaalsContact CB-O 3.29Å; Y590-S612 WeakPolarHBondContact CB-O 2.82Å; K591-S612 PolarHBondContact N-O 3.18Å; K591-S612 PolarHBondContact O-N 3.19Å; S612-N614 PolarHBondContact O-N 2.77Å; S612-K620 CarbonylContact C-O 3.56Å; S612-K620 VanDerWaalsContact CA-O 3.27Å; S612-K620 WeakPolarHBondContact CA-O 3.3Å |
| 613 | C | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 127.6 | -176.8 | -175.6 | 0 | 0 | 0 | 0 | 113.4 | N615 C618 N619 K620 W622 | C613-N615 VanDerWaalsContact C-N 3.35Å; C613-N615 VanDerWaalsContact SG-CB 3.54Å; C613-N615 PolarHBondContact SG-N 2.98Å; C613-N615 VanDerWaalsContact SG-N 3.36Å; C613-C618 HydrophobicContact CB-CB 4.19Å; C613-C618 VanDerWaalsContact SG-SG 3.64Å; C613-N619 PolarHBondContact O-N 2.91Å; C613-K620 HydrophobicContact CB-CB 4.09Å; C613-K620 PolarHBondContact N-O 2.93Å; C613-W622 VanDerWaalsContact CA-CZ2 3.45Å; C613-W622 HydrophobicContact CB-CH2 3.95Å; C613-W622 HydrophobicContact CB-CZ2 3.31Å; C613-W622 WeakPolarHBondContact SG-CZ2 3.28Å |
| 614 | N | 94.7 | Very high | 91.4 | Very high | 69 Ų | 69 | 40 Ų | 40 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | trans | -89.4 | 10 | 175 | -164.2 | 24.8 | 0 | 0 | 0 | 114.4 | N588 R589 K591 S612 G616 | N588-N614 PolarHBondContact O-ND2 3.24Å; R589-N614 VanDerWaalsContact C-CB 3.43Å; R589-N614 VanDerWaalsContact O-CB 3.23Å; R589-N614 WeakPolarHBondContact O-CB 3.34Å; R589-N614 PolarHBondContact O-N 3.02Å; K591-N614 WeakPolarHBondContact CE-OD1 3.38Å; K591-N614 HydrophobicContact CG-CB 3.95Å; K591-N614 VanDerWaalsContact CG-OD1 3.25Å; K591-N614 WeakPolarHBondContact CG-OD1 3.47Å; S612-N614 PolarHBondContact O-N 2.77Å; N614-G616 PolarHBondContact O-N 3.03Å | ||
| 615 | N | 92.8 | Very high | 92 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -85.4 | 93.7 | -179.5 | -169.5 | 52.9 | 0 | 0 | 0 | 111.6 | C561 A563 C613 N617 C618 | C561-N615 PolarHBondContact SG-ND2 2.88Å; C561-N615 VanDerWaalsContact SG-ND2 3.42Å; A563-N615 HydrophobicContact CB-CB 4.02Å; C613-N615 VanDerWaalsContact C-N 3.35Å; C613-N615 VanDerWaalsContact SG-CB 3.54Å; C613-N615 PolarHBondContact SG-N 2.98Å; C613-N615 VanDerWaalsContact SG-N 3.36Å; N615-N617 PolarHBondContact O-N 3.15Å; N615-C618 WeakPolarHBondContact O-CB 3.39Å; N615-C618 PolarHBondContact O-N 2.89Å; N615-C618 VanDerWaalsContact O-N 3.11Å |
| 616 | G | 88.4 | Confident | 92.3 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -126.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K591 N614 C618 | K591-G616 PolarHBondContact NZ-O 3.17Å; N614-G616 PolarHBondContact O-N 3.03Å; G616-C618 VanDerWaalsContact C-N 3.32Å |
| 617 | N | 88.8 | Confident | 92.5 | Very high | 87 Ų | 87 | 37 Ų | 37 | 47% | 0.465 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 4.3 | -179.8 | -69.3 | -11.1 | 0 | 0 | 0 | 114.2 | T321 A322 N615 N619 | T321-N617 WeakPolarHBondContact CA-O 3.16Å; T321-N617 WeakPolarHBondContact CB-O 3.46Å; A322-N617 PolarHBondContact O-ND2 3.12Å; N615-N617 PolarHBondContact O-N 3.15Å; N617-N619 PolarHBondContact O-N 3.37Å; N617-N619 PolarHBondContact O-ND2 3.31Å |
| 618 | C | 90.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | trans | -60.7 | -49.6 | -171.4 | 178.8 | 0 | 0 | 0 | 0 | 113.7 | I323 C558 N560 C561 C613 N615 G616 K620 | I323-C618 HydrophobicContact CD1-CB 3.76Å; C558-C618 VanDerWaalsContact SG-SG 3.7Å; N560-C618 PolarHBondContact ND2-SG 3.4Å; C561-C618 HydrophobicContact CB-CB 3.91Å; C561-C618 VanDerWaalsContact CB-SG 3.6Å; C613-C618 HydrophobicContact CB-CB 4.19Å; C613-C618 VanDerWaalsContact SG-SG 3.64Å; N615-C618 WeakPolarHBondContact O-CB 3.39Å; N615-C618 PolarHBondContact O-N 2.89Å; N615-C618 VanDerWaalsContact O-N 3.11Å; G616-C618 VanDerWaalsContact C-N 3.32Å; C618-K620 PolarHBondContact O-N 3.19Å | ||
| 619 | N | 90.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | trans | 47 | 25.5 | 175.3 | -57.5 | -42.6 | 0 | 0 | 0 | 115.1 | T321 K591 C613 N617 D621 | T321-N619 HydrophobicContact CG2-CB 4.23Å; K591-N619 PolarHBondContact NZ-OD1 2.75Å; C613-N619 PolarHBondContact O-N 2.91Å; N617-N619 PolarHBondContact O-N 3.37Å; N617-N619 PolarHBondContact O-ND2 3.31Å; N619-D621 PolarHBondContact O-N 3.4Å | ||
| 620 | K | 91.6 | Very high | 91.8 | Very high | 58 Ų | 58 | 49 Ų | 49 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | trans | -66.8 | 124 | -179 | 179.3 | 64 | 174.7 | -176.5 | 0 | 110 | N560 S612 C613 C618 W622 | N560-K620 HydrophobicContact CB-CB 3.79Å; N560-K620 HydrophobicContact CB-CD 3.99Å; N560-K620 HydrophobicContact CB-CG 3.84Å; S612-K620 CarbonylContact C-O 3.56Å; S612-K620 VanDerWaalsContact CA-O 3.27Å; S612-K620 WeakPolarHBondContact CA-O 3.3Å; C613-K620 HydrophobicContact CB-CB 4.09Å; C613-K620 PolarHBondContact N-O 2.93Å; C618-K620 PolarHBondContact O-N 3.19Å; K620-W622 VanDerWaalsContact O-CD1 3.26Å; K620-W622 PolarHBondContact O-N 2.87Å | ||
| 621 | D | 92.4 | Very high | 91.2 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 131.9 | 174 | -66 | -29.3 | 0 | 0 | 0 | 111.8 | N619 N641 | N619-D621 PolarHBondContact O-N 3.4Å; D621-N641 PolarHBondContact O-ND2 3.03Å; D621-N641 VanDerWaalsContact O-ND2 3.09Å |
| 622 | W | 95.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -37 | -177.8 | -73.4 | -10.5 | 0 | 0 | 0 | 112.9 | C558 V565 F586 R589 V611 C613 K620 L637 A638 N641 F642 | C558-W622 HydrophobicContact CB-CZ2 3.75Å; C558-W622 PolarHBondContact SG-NE1 3.12Å; V565-W622 HydrophobicContact CB-CH2 3.87Å; V565-W622 HydrophobicContact CB-CZ2 4.42Å; V565-W622 HydrophobicContact CB-CZ3 4.37Å; V565-W622 HydrophobicContact CG1-CH2 3.28Å; V565-W622 HydrophobicContact CG1-CZ2 3.63Å; V565-W622 HydrophobicContact CG1-CZ3 4.22Å; V565-W622 HydrophobicContact CG2-CH2 4.38Å; F586-W622 HydrophobicContact CE2-CZ3 4.42Å; F586-W622 HydrophobicContact CZ-CE3 4.09Å; F586-W622 AromaticContact CZ-CZ3 3.96Å; F586-W622 HydrophobicContact CZ-CZ3 3.96Å; R589-W622 VanDerWaalsContact O-CH2 3.26Å; R589-W622 WeakPolarHBondContact O-CH2 3.31Å; R589-W622 VanDerWaalsContact O-CZ3 3.27Å; R589-W622 WeakPolarHBondContact O-CZ3 3.31Å; V611-W622 HydrophobicContact CG2-CB 4.26Å; V611-W622 PolarHBondContact O-N 3.25Å; C613-W622 VanDerWaalsContact CA-CZ2 3.45Å; C613-W622 HydrophobicContact CB-CH2 3.95Å; C613-W622 HydrophobicContact CB-CZ2 3.31Å; C613-W622 WeakPolarHBondContact SG-CZ2 3.28Å; K620-W622 VanDerWaalsContact O-CD1 3.26Å; K620-W622 PolarHBondContact O-N 2.87Å; W622-L637 HydrophobicContact CB-CD2 4.23Å; W622-A638 PolarHBondContact O-N 3.35Å; W622-N641 PolarHBondContact O-ND2 3.42Å; W622-N641 VanDerWaalsContact O-ND2 3.15Å; W622-F642 HydrophobicContact CB-CE1 4.46Å; W622-F642 HydrophobicContact CB-CE2 4.19Å; W622-F642 HydrophobicContact CB-CZ 3.61Å; W622-F642 AromaticContact CD1-CE1 3.86Å; W622-F642 AromaticContact CD1-CZ 3.72Å; W622-F642 AromaticContact CD2-CE1 3.59Å; W622-F642 HydrophobicContact CD2-CE1 3.59Å; W622-F642 AromaticContact CD2-CZ 3.61Å; W622-F642 HydrophobicContact CD2-CZ 3.61Å; W622-F642 AromaticContact CE2-CE1 3.67Å; W622-F642 HydrophobicContact CE3-CE1 4.11Å; W622-F642 HydrophobicContact CE3-CZ 4.13Å; W622-F642 AromaticContact CG-CE1 3.75Å; W622-F642 HydrophobicContact CG-CE1 3.75Å; W622-F642 HydrophobicContact CG-CE2 4.2Å; W622-F642 AromaticContact CG-CZ 3.35Å; W622-F642 HydrophobicContact CG-CZ 3.35Å; W622-F642 HydrophobicContact CZ2-CE1 4.28Å; W622-F642 AromaticContact NE1-CE1 3.8Å |
| 623 | G | 94 | Very high | 90.5 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -140.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V611 N636 | V611-G623 VanDerWaalsContact CG2-C 3.5Å; V611-G623 PolarHBondContact N-O 2.87Å; V611-G623 PolarHBondContact O-N 3.45Å; G623-N636 WeakPolarHBondContact CA-O 3.47Å |
| 624 | F | 94 | Very high | 90.4 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 18% | 0.184 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160.2 | 176 | 62.9 | -84.2 | 0 | 0 | 0 | 111.6 | V596 W605 P607 C609 M626 N636 | V596-F624 HydrophobicContact CB-CB 4.49Å; V596-F624 HydrophobicContact CG2-CB 3.66Å; V596-F624 HydrophobicContact CG2-CG 4.28Å; W605-F624 HydrophobicContact CH2-CE2 4.08Å; W605-F624 HydrophobicContact CH2-CZ 4.3Å; W605-F624 AromaticContact CZ3-CE2 3.86Å; W605-F624 HydrophobicContact CZ3-CE2 3.86Å; P607-F624 HydrophobicContact CB-CD2 4.49Å; C609-F624 CarbonylContact O-C 3.6Å; C609-F624 VanDerWaalsContact O-CA 3.25Å; C609-F624 WeakPolarHBondContact O-CA 3.42Å; C609-F624 WeakPolarHBondContact O-CB 3.44Å; F624-M626 HydrophobicContact CD2-CG 4.36Å; F624-M626 HydrophobicContact CE2-CG 3.79Å; F624-N636 WeakPolarHBondContact CZ-ND2 3.44Å; F624-N636 PolarHBondContact N-O 3.32Å; F624-N636 PolarHBondContact O-N 3.22Å |
| 625 | E | 94.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.4 | 174 | -63.8 | 178.2 | 132.5 | 0 | 0 | 111.7 | Y590 L592 G608 C609 V611 I633 | Y590-E625 PolarHBondContact OH-OE1 2.91Å; L592-E625 HydrophobicContact CD2-CG 4.12Å; L592-E625 VanDerWaalsContact CD2-OE1 3.32Å; L592-E625 WeakPolarHBondContact CD2-OE1 3.28Å; G608-E625 PolarHBondContact N-O 2.7Å; C609-E625 PolarHBondContact N-OE2 2.94Å; C609-E625 PolarHBondContact O-N 2.92Å; V611-E625 HydrophobicContact CG1-CG 3.68Å; E625-I633 HydrophobicContact CB-CG2 4.17Å; E625-I633 HydrophobicContact CG-CG2 4.15Å; E625-I633 WeakPolarHBondContact OE1-CG2 3.28Å |
| 626 | M | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.3 | 167.1 | -65.4 | 175.3 | 71.7 | 0 | 0 | 108.4 | L574 H578 V580 W605 F624 Y628 L634 N636 | L574-M626 HydrophobicContact CD2-CE 3.8Å; L574-M626 HydrophobicContact CD2-SD 4.43Å; H578-M626 HydrophobicContact CB-CE 3.91Å; H578-M626 HydrophobicContact CB-SD 3.75Å; V580-M626 HydrophobicContact CG1-SD 4.05Å; W605-M626 HydrophobicContact CB-CE 4.48Å; W605-M626 HydrophobicContact CD2-CE 3.26Å; W605-M626 HydrophobicContact CD2-CG 4.45Å; W605-M626 HydrophobicContact CE3-CB 4.12Å; W605-M626 HydrophobicContact CE3-CE 3.68Å; W605-M626 HydrophobicContact CE3-CG 3.9Å; W605-M626 HydrophobicContact CG-CE 3.63Å; W605-M626 HydrophobicContact CH2-CE 4.07Å; W605-M626 HydrophobicContact CZ2-CE 3.68Å; W605-M626 HydrophobicContact CZ3-CE 4.08Å; W605-M626 HydrophobicContact CZ3-CG 4Å; F624-M626 HydrophobicContact CD2-CG 4.36Å; F624-M626 HydrophobicContact CE2-CG 3.79Å; M626-Y628 PolarHBondContact O-N 3.33Å; M626-L634 PolarHBondContact N-O 3.4Å; M626-L634 PolarHBondContact O-N 3.04Å; M626-N636 HydrophobicContact CG-CB 3.76Å; M626-N636 HydrophobicContact SD-CB 3.39Å; M626-N636 WeakPolarHBondContact SD-CB 3.31Å |
| 627 | K | 90.9 | Very high | 90.9 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 30% | 0.3 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 95.9 | 172.5 | -61.7 | 175.1 | -178 | 178.9 | 0 | 108.6 | W605 E606 A632 I633 | W605-K627 VanDerWaalsContact CA-O 3.22Å; W605-K627 WeakPolarHBondContact CA-O 3.28Å; W605-K627 WeakPolarHBondContact CB-O 3.38Å; E606-K627 HydrophobicContact CG-CB 3.73Å; E606-K627 HydrophobicContact CG-CD 3.85Å; E606-K627 HydrophobicContact CG-CG 4.36Å; E606-K627 PolarHBondContact N-O 3.49Å; E606-K627 PolarHBondContact O-N 3.08Å; E606-K627 WeakPolarHBondContact OE1-CD 3.38Å; E606-K627 IonicContact OE1-NZ 3.86Å; E606-K627 PolarHBondContact OE1-NZ 2.98Å; E606-K627 VanDerWaalsContact OE1-NZ 3.11Å; K627-A632 CarbonylContact C-O 3.15Å; K627-A632 WeakPolarHBondContact CA-O 3.43Å; K627-I633 HydrophobicContact CG-CG1 4.44Å |
| 628 | Y | 89.9 | Confident | 91.1 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.1 | -177 | -170.2 | -97.1 | 0 | 0 | 0 | 110.9 | L574 D604 W605 M626 K630 V631 A632 F666 F668 | L574-Y628 HydrophobicContact CD1-CD2 3.94Å; L574-Y628 HydrophobicContact CD1-CE2 3.62Å; L574-Y628 HydrophobicContact CD2-CD2 3.77Å; L574-Y628 HydrophobicContact CD2-CE2 4.22Å; L574-Y628 HydrophobicContact CD2-CG 4.42Å; L574-Y628 HydrophobicContact CG-CD2 4.4Å; L574-Y628 HydrophobicContact CG-CE2 4.37Å; D604-Y628 HydrophobicContact CB-CD2 3.99Å; D604-Y628 HydrophobicContact CB-CE2 3.29Å; D604-Y628 CarbonylContact O-C 3.53Å; D604-Y628 WeakPolarHBondContact O-CA 3.16Å; D604-Y628 WeakPolarHBondContact O-CD2 3.42Å; D604-Y628 PolarHBondContact OD2-OH 2.99Å; W605-Y628 HydrophobicContact CB-CD2 3.99Å; M626-Y628 PolarHBondContact O-N 3.33Å; Y628-K630 PolarHBondContact O-N 3.23Å; Y628-V631 PolarHBondContact O-N 3.48Å; Y628-A632 PolarHBondContact N-O 3.49Å; Y628-A632 PolarHBondContact O-N 3.38Å; Y628-F666 HydrophobicContact CD1-CE1 4.05Å; Y628-F666 AromaticContact CE1-CE1 3.97Å; Y628-F666 HydrophobicContact CE1-CE1 3.97Å; Y628-F668 AromaticContact CD1-CD2 3.75Å; Y628-F668 HydrophobicContact CD1-CD2 3.75Å; Y628-F668 HydrophobicContact CD1-CE2 4.15Å; Y628-F668 HydrophobicContact CE1-CB 4.21Å; Y628-F668 AromaticContact CE1-CD2 3.74Å; Y628-F668 HydrophobicContact CE1-CD2 3.74Å; Y628-F668 HydrophobicContact CE1-CE2 4.45Å; Y628-F668 HydrophobicContact CE1-CG 4.17Å |
| 629 | R | 86 | Confident | 91.4 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 28.3 | -175.1 | -67.6 | -177.1 | 173.6 | 178.1 | 2.6 | 114.4 | D604 V631 F668 | D604-R629 HydrophobicContact CB-CG 4.37Å; D604-R629 PolarHBondContact O-N 3.44Å; D604-R629 IonicContact OD1-NE 3.25Å; D604-R629 PolarHBondContact OD1-NE 2.85Å; D604-R629 IonicContact OD1-NH2 2.66Å; D604-R629 IonicContact OD2-NH2 3.83Å; R629-V631 PolarHBondContact O-N 3.29Å; R629-V631 VanDerWaalsContact O-N 3.08Å; R629-F668 HydrophobicContact CB-CE2 4.16Å; R629-F668 HydrophobicContact CB-CZ 4.13Å |
| 630 | K | 80.9 | Confident | 91.6 | Very high | 190 Ų | 190 | 47.1 Ų | 47.1 | 83% | 0.826 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 6.3 | -174.9 | -53.2 | 175.7 | 179.9 | 173.2 | 0 | 115.3 | Y628 | Y628-K630 PolarHBondContact O-N 3.23Š|
| 631 | V | 80.9 | Confident | 91.8 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -47 | -175.5 | 176.9 | 0 | 0 | 0 | 0 | 111 | Y628 R629 F668 F676 | Y628-V631 PolarHBondContact O-N 3.48Å; R629-V631 PolarHBondContact O-N 3.29Å; R629-V631 VanDerWaalsContact O-N 3.08Å; V631-F668 HydrophobicContact CB-CZ 4.45Å; V631-F676 HydrophobicContact CG1-CE2 4.19Å; V631-F676 HydrophobicContact CG1-CZ 4.32Å |
| 632 | A | 85.4 | Confident | 92 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K627 Y628 L634 Y671 | K627-A632 CarbonylContact C-O 3.15Å; K627-A632 WeakPolarHBondContact CA-O 3.43Å; Y628-A632 PolarHBondContact N-O 3.49Å; Y628-A632 PolarHBondContact O-N 3.38Å; A632-L634 HydrophobicContact CB-CD1 4.17Å; A632-L634 HydrophobicContact CB-CD2 4.32Å; A632-L634 HydrophobicContact CB-CG 3.98Å; A632-Y671 HydrophobicContact CB-CD1 4.08Å; A632-Y671 HydrophobicContact CB-CE1 3.41Å; A632-Y671 VanDerWaalsContact CB-CE1 3.41Å |
| 633 | I | 90.9 | Very high | 92.1 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 48% | 0.477 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 107.5 | 171.3 | -56.2 | -179.9 | 0 | 0 | 0 | 107.9 | E625 K627 | E625-I633 HydrophobicContact CB-CG2 4.17Å; E625-I633 HydrophobicContact CG-CG2 4.15Å; E625-I633 WeakPolarHBondContact OE1-CG2 3.28Å; K627-I633 HydrophobicContact CG-CG1 4.44Å |
| 634 | L | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 110.4 | -169.2 | -63.6 | 179.8 | 0 | 0 | 0 | 110.5 | V580 V582 M626 A632 N636 F666 Y671 | V580-L634 HydrophobicContact CB-CB 3.97Å; V580-L634 HydrophobicContact CG1-CB 3.91Å; V580-L634 HydrophobicContact CG2-CD1 4.27Å; V582-L634 HydrophobicContact CG1-CD2 4.25Å; M626-L634 PolarHBondContact N-O 3.4Å; M626-L634 PolarHBondContact O-N 3.04Å; A632-L634 HydrophobicContact CB-CD1 4.17Å; A632-L634 HydrophobicContact CB-CD2 4.32Å; A632-L634 HydrophobicContact CB-CG 3.98Å; L634-N636 PolarHBondContact O-N 2.73Å; L634-F666 HydrophobicContact CD1-CD2 4.4Å; L634-F666 HydrophobicContact CD1-CE1 4.45Å; L634-F666 HydrophobicContact CD1-CE2 3.76Å; L634-F666 HydrophobicContact CD1-CZ 3.79Å; L634-Y671 HydrophobicContact CD2-CE2 3.91Å |
| 635 | P | 95.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.045 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 114.4 | 176.7 | -25.4 | 38.4 | 0 | 0 | 0 | 111.5 | V580 N581 F586 Y590 L637 | V580-P635 WeakPolarHBondContact CA-O 3.49Å; N581-P635 PolarHBondContact N-O 2.97Å; N581-P635 WeakPolarHBondContact O-CD 3.26Å; F586-P635 HydrophobicContact CD1-CB 4.12Å; F586-P635 HydrophobicContact CD1-CG 3.99Å; F586-P635 HydrophobicContact CE1-CB 3.96Å; F586-P635 HydrophobicContact CE1-CG 4.31Å; Y590-P635 HydrophobicContact CD1-CG 4.47Å; Y590-P635 HydrophobicContact CE1-CB 4.31Å; Y590-P635 HydrophobicContact CE1-CG 3.58Å; P635-L637 HydrophobicContact CB-CD2 4.04Å |
| 636 | N | 95.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.7 | 175.7 | 173.6 | 40.1 | 0 | 0 | 0 | 110.4 | Y579 V580 G623 F624 M626 L634 | Y579-N636 PolarHBondContact N-OD1 3.12Å; Y579-N636 VanDerWaalsContact N-OD1 3.15Å; Y579-N636 WeakPolarHBondContact O-CA 3.35Å; Y579-N636 PolarHBondContact O-OD1 3.31Å; V580-N636 HydrophobicContact CG1-CB 4.22Å; G623-N636 WeakPolarHBondContact CA-O 3.47Å; F624-N636 WeakPolarHBondContact CZ-ND2 3.44Å; F624-N636 PolarHBondContact N-O 3.32Å; F624-N636 PolarHBondContact O-N 3.22Å; M626-N636 HydrophobicContact CG-CB 3.76Å; M626-N636 HydrophobicContact SD-CB 3.39Å; M626-N636 WeakPolarHBondContact SD-CB 3.31Å; L634-N636 PolarHBondContact O-N 2.73Å |
| 637 | L | 95.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.1 | -166.5 | -53.8 | -171.2 | 0 | 0 | 0 | 112.2 | F571 Y579 F586 V611 W622 P635 F642 W656 | F571-L637 HydrophobicContact CE1-CB 4.15Å; F571-L637 HydrophobicContact CE1-CD1 3.56Å; F571-L637 HydrophobicContact CE1-CG 4.06Å; F571-L637 HydrophobicContact CZ-CD1 3.67Å; Y579-L637 PolarHBondContact O-N 3.31Å; Y579-L637 VanDerWaalsContact O-N 3.09Å; F586-L637 HydrophobicContact CE1-CD1 3.74Å; F586-L637 HydrophobicContact CE1-CD2 4.28Å; F586-L637 HydrophobicContact CE1-CG 4.5Å; F586-L637 HydrophobicContact CE2-CD1 4.42Å; F586-L637 HydrophobicContact CZ-CD1 3.47Å; F586-L637 VanDerWaalsContact CZ-CD1 3.47Å; V611-L637 HydrophobicContact CG2-CD2 3.71Å; W622-L637 HydrophobicContact CB-CD2 4.23Å; P635-L637 HydrophobicContact CB-CD2 4.04Å; L637-F642 HydrophobicContact CB-CE2 3.83Å; L637-F642 HydrophobicContact CB-CZ 4.13Å; L637-F642 HydrophobicContact CD1-CE1 4.47Å; L637-F642 HydrophobicContact CD1-CE2 4.2Å; L637-F642 HydrophobicContact CD1-CZ 3.7Å; L637-F642 HydrophobicContact CG-CZ 4.35Å; L637-W656 PolarHBondContact O-NE1 3.04Å |
| 638 | A | 94.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | trans | -91.3 | 110 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | W622 K640 N641 F642 | W622-A638 PolarHBondContact O-N 3.35Å; A638-K640 HydrophobicContact CB-CG 4.29Å; A638-K640 PolarHBondContact O-N 3.29Å; A638-N641 WeakPolarHBondContact O-CB 3.4Å; A638-N641 PolarHBondContact O-N 3.34Å; A638-F642 WeakPolarHBondContact O-CD2 3.36Å | ||
| 639 | I | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -52.9 | -28.9 | -173.9 | -160.7 | 59.3 | 0 | 0 | 0 | 114.9 | N641 F642 L644 V653 K655 W656 V659 | I639-N641 PolarHBondContact O-N 3.3Å; I639-F642 PolarHBondContact O-N 3.35Å; I639-L644 HydrophobicContact CD1-CD2 3.87Å; I639-V653 HydrophobicContact CB-CG2 4.36Å; I639-V653 HydrophobicContact CG1-CG2 3.41Å; I639-V653 VanDerWaalsContact CG1-CG2 3.41Å; I639-V653 HydrophobicContact CG2-CG2 4Å; I639-K655 VanDerWaalsContact CG2-C 3.41Å; I639-W656 HydrophobicContact CB-CD2 3.77Å; I639-W656 HydrophobicContact CB-CE3 4.37Å; I639-W656 HydrophobicContact CB-CG 3.99Å; I639-W656 HydrophobicContact CB-CZ2 4.15Å; I639-W656 HydrophobicContact CD1-CD2 4.23Å; I639-W656 HydrophobicContact CD1-CE3 4.03Å; I639-W656 HydrophobicContact CD1-CH2 3.67Å; I639-W656 HydrophobicContact CD1-CZ2 3.89Å; I639-W656 HydrophobicContact CD1-CZ3 3.75Å; I639-W656 HydrophobicContact CG1-CD2 4.17Å; I639-W656 HydrophobicContact CG1-CE3 4.26Å; I639-W656 HydrophobicContact CG1-CZ3 4.48Å; I639-W656 HydrophobicContact CG2-CD2 4.39Å; I639-W656 HydrophobicContact CG2-CG 4.11Å; I639-V659 HydrophobicContact CD1-CG1 4.41Å; I639-V659 HydrophobicContact CG1-CG1 4.11Å |
| 640 | K | 93.9 | Very high | 93.2 | Very high | 122 Ų | 122 | 41.7 Ų | 41.7 | 53% | 0.53 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -58.9 | -20 | 176.9 | 68 | 178.2 | -177.8 | 177.4 | 0 | 113.5 | R559 A638 F642 | R559-K640 VanDerWaalsContact CD-O 3.22Å; R559-K640 WeakPolarHBondContact CD-O 3.33Å; R559-K640 PolarHBondContact NH1-O 3.34Å; A638-K640 HydrophobicContact CB-CG 4.29Å; A638-K640 PolarHBondContact O-N 3.29Å; K640-F642 VanDerWaalsContact C-N 3.29Å |
| 641 | N | 95.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -87.8 | 2.2 | 179.4 | -63.6 | -30.7 | 0 | 0 | 0 | 112.9 | R559 D621 W622 A638 I639 | R559-N641 WeakPolarHBondContact CB-O 3.37Å; R559-N641 PolarHBondContact N-O 3.37Å; R559-N641 VanDerWaalsContact N-O 3.12Å; D621-N641 PolarHBondContact O-ND2 3.03Å; D621-N641 VanDerWaalsContact O-ND2 3.09Å; W622-N641 PolarHBondContact O-ND2 3.42Å; W622-N641 VanDerWaalsContact O-ND2 3.15Å; A638-N641 WeakPolarHBondContact O-CB 3.4Å; A638-N641 PolarHBondContact O-N 3.34Å; I639-N641 PolarHBondContact O-N 3.3Å |
| 642 | F | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159 | -177.1 | -56.6 | -86.7 | 0 | 0 | 0 | 111.9 | I556 L557 V565 W622 L637 A638 I639 K640 | I556-F642 HydrophobicContact CG2-CB 3.79Å; I556-F642 HydrophobicContact CG2-CD1 3.57Å; I556-F642 HydrophobicContact CG2-CE1 4.33Å; I556-F642 HydrophobicContact CG2-CG 3.75Å; L557-F642 CarbonylContact O-C 3.59Å; L557-F642 WeakPolarHBondContact O-CA 3.48Å; L557-F642 WeakPolarHBondContact O-CB 3.23Å; V565-F642 HydrophobicContact CG2-CD1 3.95Å; V565-F642 HydrophobicContact CG2-CE1 3.85Å; W622-F642 HydrophobicContact CB-CE1 4.46Å; W622-F642 HydrophobicContact CB-CE2 4.19Å; W622-F642 HydrophobicContact CB-CZ 3.61Å; W622-F642 AromaticContact CD1-CE1 3.86Å; W622-F642 AromaticContact CD1-CZ 3.72Å; W622-F642 AromaticContact CD2-CE1 3.59Å; W622-F642 HydrophobicContact CD2-CE1 3.59Å; W622-F642 AromaticContact CD2-CZ 3.61Å; W622-F642 HydrophobicContact CD2-CZ 3.61Å; W622-F642 AromaticContact CE2-CE1 3.67Å; W622-F642 HydrophobicContact CE3-CE1 4.11Å; W622-F642 HydrophobicContact CE3-CZ 4.13Å; W622-F642 AromaticContact CG-CE1 3.75Å; W622-F642 HydrophobicContact CG-CE1 3.75Å; W622-F642 HydrophobicContact CG-CE2 4.2Å; W622-F642 AromaticContact CG-CZ 3.35Å; W622-F642 HydrophobicContact CG-CZ 3.35Å; W622-F642 HydrophobicContact CZ2-CE1 4.28Å; W622-F642 AromaticContact NE1-CE1 3.8Å; L637-F642 HydrophobicContact CB-CE2 3.83Å; L637-F642 HydrophobicContact CB-CZ 4.13Å; L637-F642 HydrophobicContact CD1-CE1 4.47Å; L637-F642 HydrophobicContact CD1-CE2 4.2Å; L637-F642 HydrophobicContact CD1-CZ 3.7Å; L637-F642 HydrophobicContact CG-CZ 4.35Å; A638-F642 WeakPolarHBondContact O-CD2 3.36Å; I639-F642 PolarHBondContact O-N 3.35Å; K640-F642 VanDerWaalsContact C-N 3.29Å |
| 643 | A | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 153 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V275 L557 R650 T652 | V275-A643 HydrophobicContact CG1-CB 3.47Å; V275-A643 VanDerWaalsContact CG1-CB 3.47Å; L557-A643 HydrophobicContact CB-CB 4.27Å; L557-A643 PolarHBondContact N-O 2.94Å; L557-A643 PolarHBondContact O-N 2.89Å; A643-R650 HydrophobicContact CB-CG 4.13Å; A643-T652 HydrophobicContact CB-CG2 4.4Å |
| 644 | L | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 115.9 | 179.6 | -48.1 | 178.3 | 0 | 0 | 0 | 108.2 | I554 I556 I639 T646 R650 I651 V653 V659 | I554-L644 HydrophobicContact CG2-CB 4.15Å; I554-L644 HydrophobicContact CG2-CD2 4.45Å; I556-L644 HydrophobicContact CD1-CD2 3.23Å; I639-L644 HydrophobicContact CD1-CD2 3.87Å; L644-T646 HydrophobicContact CB-CG2 4.41Å; L644-R650 CarbonylContact O-C 3.53Å; L644-R650 VanDerWaalsContact O-CA 3.31Å; L644-R650 WeakPolarHBondContact O-CA 3.49Å; L644-I651 HydrophobicContact CB-CG1 3.9Å; L644-I651 HydrophobicContact CD1-CD1 4.39Å; L644-I651 HydrophobicContact CD1-CG1 4.36Å; L644-I651 HydrophobicContact CG-CG1 4.49Å; L644-I651 PolarHBondContact N-O 3.48Å; L644-I651 PolarHBondContact O-N 2.96Å; L644-V653 HydrophobicContact CD1-CG1 4.25Å; L644-V653 HydrophobicContact CD1-CG2 3.93Å; L644-V659 HydrophobicContact CD1-CB 4.49Å; L644-V659 HydrophobicContact CD1-CG1 4.07Å |
| 645 | E | 97.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 113.8 | 167.8 | -161.7 | 73.4 | -122.9 | 0 | 0 | 107.6 | I554 R555 L557 R650 | I554-E645 WeakPolarHBondContact CA-O 3.34Å; R555-E645 HydrophobicContact CB-CB 4.05Å; R555-E645 PolarHBondContact N-O 3Å; R555-E645 PolarHBondContact O-N 3.43Å; L557-E645 HydrophobicContact CD1-CB 4.1Å; E645-R650 IonicContact OE2-CZ 2.74Å; E645-R650 IonicContact OE2-NE 3.39Å; E645-R650 PolarHBondContact OE2-NE 2.85Å; E645-R650 IonicContact OE2-NH2 3.85Å; E645-R650 PolarHBondContact OE2-NH2 3.12Å; E645-R650 VanDerWaalsContact OE2-NH2 3.1Å |
| 646 | T | 95.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 168.4 | 176.5 | 91 | 0 | 0 | 0 | 0 | 110.1 | I554 L644 D648 G649 I651 P660 | I554-T646 HydrophobicContact CD1-CG2 3.83Å; L644-T646 HydrophobicContact CB-CG2 4.41Å; T646-D648 PolarHBondContact O-N 3.2Å; T646-D648 VanDerWaalsContact O-N 3.13Å; T646-D648 PolarHBondContact OG1-N 3.23Å; T646-D648 VanDerWaalsContact OG1-N 3.07Å; T646-G649 PolarHBondContact N-O 3.35Å; T646-G649 VanDerWaalsContact N-O 3.1Å; T646-G649 PolarHBondContact O-N 3.34Å; T646-G649 PolarHBondContact OG1-O 2.98Å; T646-G649 VanDerWaalsContact OG1-O 3.14Å; T646-I651 HydrophobicContact CG2-CD1 3.99Å; T646-I651 HydrophobicContact CG2-CG1 4.01Å; T646-P660 HydrophobicContact CG2-CG 4.15Å |
| 647 | P | 94.3 | Very high | 94 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 56% | 0.558 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.1 | 171.7 | -26.9 | 36.1 | 0 | 0 | 0 | 114.3 | ||
| 648 | D | 92.7 | Very high | 93.8 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -2.9 | 179.8 | -60.7 | -22.7 | 0 | 0 | 0 | 112.6 | R548 H549 T646 | R548-D648 IonicContact CZ-OD2 2.79Å; R548-D648 IonicContact NE-OD2 3.13Å; R548-D648 PolarHBondContact NE-OD2 3.03Å; R548-D648 IonicContact NH2-OD2 2.66Å; R548-D648 PolarHBondContact NH2-OD2 3.24Å; H549-D648 IonicContact CE1-OD1 2.65Å; H549-D648 IonicContact CE1-OD2 3.64Å; H549-D648 PolarHBondContact CE1-OD2 3.22Å; H549-D648 VanDerWaalsContact CE1-OD2 3.28Å; H549-D648 IonicContact NE2-OD2 3.24Å; H549-D648 PolarHBondContact NE2-OD2 3.01Å; T646-D648 PolarHBondContact O-N 3.2Å; T646-D648 VanDerWaalsContact O-N 3.13Å; T646-D648 PolarHBondContact OG1-N 3.23Å; T646-D648 VanDerWaalsContact OG1-N 3.07Å |
| 649 | G | 93.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.3 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T646 | T646-G649 PolarHBondContact N-O 3.35Å; T646-G649 VanDerWaalsContact N-O 3.1Å; T646-G649 PolarHBondContact O-N 3.34Å; T646-G649 PolarHBondContact OG1-O 2.98Å; T646-G649 VanDerWaalsContact OG1-O 3.14Å |
| 650 | R | 95.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130 | -174.5 | -166.2 | -175.7 | -69.8 | 175.2 | 8.5 | 112.6 | V275 S276 D278 L557 A643 L644 E645 | V275-R650 WeakPolarHBondContact O-CD 3.28Å; S276-R650 WeakPolarHBondContact CA-O 3.45Å; S276-R650 VanDerWaalsContact CB-O 3.26Å; S276-R650 WeakPolarHBondContact CB-O 3.34Å; D278-R650 IonicContact OD1-CZ 3.67Å; D278-R650 IonicContact OD1-NH1 2.61Å; D278-R650 PolarHBondContact OD1-NH1 2.87Å; D278-R650 IonicContact OD1-NH2 2.94Å; D278-R650 PolarHBondContact OD1-NH2 3.49Å; D278-R650 IonicContact OD2-CZ 3.23Å; D278-R650 IonicContact OD2-NH1 2.68Å; D278-R650 IonicContact OD2-NH2 3.32Å; D278-R650 PolarHBondContact OD2-NH2 3.26Å; L557-R650 HydrophobicContact CD1-CG 4.43Å; L557-R650 VanDerWaalsContact CD1-NE 3.26Å; A643-R650 HydrophobicContact CB-CG 4.13Å; L644-R650 CarbonylContact O-C 3.53Å; L644-R650 VanDerWaalsContact O-CA 3.31Å; L644-R650 WeakPolarHBondContact O-CA 3.49Å; E645-R650 IonicContact OE2-CZ 2.74Å; E645-R650 IonicContact OE2-NE 3.39Å; E645-R650 PolarHBondContact OE2-NE 2.85Å; E645-R650 IonicContact OE2-NH2 3.85Å; E645-R650 PolarHBondContact OE2-NH2 3.12Å; E645-R650 VanDerWaalsContact OE2-NH2 3.1Å |
| 651 | I | 94.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 164.4 | 179.3 | 66.9 | 172.8 | 0 | 0 | 0 | 112.1 | L644 T646 V653 P660 | L644-I651 HydrophobicContact CB-CG1 3.9Å; L644-I651 HydrophobicContact CD1-CD1 4.39Å; L644-I651 HydrophobicContact CD1-CG1 4.36Å; L644-I651 HydrophobicContact CG-CG1 4.49Å; L644-I651 PolarHBondContact N-O 3.48Å; L644-I651 PolarHBondContact O-N 2.96Å; T646-I651 HydrophobicContact CG2-CD1 3.99Å; T646-I651 HydrophobicContact CG2-CG1 4.01Å; I651-V653 HydrophobicContact CD1-CG1 4.35Å; I651-P660 HydrophobicContact CD1-CG 4.01Å |
| 652 | T | 93.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | trans | -121.6 | 147.1 | 166.4 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | V275 A643 | V275-T652 HydrophobicContact CB-CG2 3.89Å; V275-T652 HydrophobicContact CG1-CG2 3.39Å; V275-T652 HydrophobicContact CG2-CG2 4.43Å; A643-T652 HydrophobicContact CB-CG2 4.4Å | ||
| 653 | V | 92.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | trans | -130.4 | 148.7 | 175.1 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | I639 L644 I651 D658 V659 | I639-V653 HydrophobicContact CB-CG2 4.36Å; I639-V653 HydrophobicContact CG1-CG2 3.41Å; I639-V653 VanDerWaalsContact CG1-CG2 3.41Å; I639-V653 HydrophobicContact CG2-CG2 4Å; L644-V653 HydrophobicContact CD1-CG1 4.25Å; L644-V653 HydrophobicContact CD1-CG2 3.93Å; I651-V653 HydrophobicContact CD1-CG1 4.35Å; V653-D658 HydrophobicContact CB-CB 4.36Å; V653-D658 HydrophobicContact CG1-CB 4.47Å; V653-V659 HydrophobicContact CG2-CG1 3.93Å | ||
| 654 | K | 90.6 | Very high | 93.2 | Very high | 152 Ų | 152 | 54.8 Ų | 54.8 | 66% | 0.661 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -87 | -28.7 | -179.9 | -69.6 | -175.8 | 179.9 | 177.7 | 0 | 112.8 | ||
| 655 | K | 91.4 | Very high | 92.9 | Very high | 122 Ų | 122 | 60.9 Ų | 60.9 | 53% | 0.53 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -139.6 | 148.4 | -174.6 | -59.6 | 179.7 | 176 | -175.9 | 0 | 110.3 | I639 K657 D658 | I639-K655 VanDerWaalsContact CG2-C 3.41Å; K655-K657 VanDerWaalsContact C-N 3.25Å; K655-K657 HydrophobicContact CB-CG 3.97Å; K655-K657 PolarHBondContact O-N 3.23Å; K655-D658 WeakPolarHBondContact O-CB 3.48Å; K655-D658 PolarHBondContact O-N 3.45Å |
| 656 | W | 92.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -59.6 | -36 | -178.8 | -80.6 | 108.2 | 0 | 0 | 0 | 113 | F571 Y579 L637 I639 D658 V659 F661 V663 | F571-W656 HydrophobicContact CB-CH2 4.25Å; F571-W656 HydrophobicContact CB-CZ3 4.39Å; F571-W656 AromaticContact CD1-CH2 3.34Å; F571-W656 HydrophobicContact CD1-CH2 3.34Å; F571-W656 AromaticContact CD1-CZ2 3.86Å; F571-W656 HydrophobicContact CD1-CZ2 3.86Å; F571-W656 HydrophobicContact CD1-CZ3 4.26Å; F571-W656 HydrophobicContact CD2-CH2 4.18Å; F571-W656 AromaticContact CE1-CH2 3.63Å; F571-W656 HydrophobicContact CE1-CH2 3.63Å; F571-W656 AromaticContact CE1-CZ2 3.94Å; F571-W656 HydrophobicContact CE1-CZ2 3.94Å; F571-W656 HydrophobicContact CE2-CH2 4.45Å; F571-W656 AromaticContact CG-CH2 3.63Å; F571-W656 HydrophobicContact CG-CH2 3.63Å; F571-W656 HydrophobicContact CG-CZ3 4.18Å; F571-W656 HydrophobicContact CZ-CH2 4.19Å; Y579-W656 HydrophobicContact CD1-CB 3.8Å; Y579-W656 AromaticContact CD1-CD2 3.4Å; Y579-W656 HydrophobicContact CD1-CD2 3.4Å; Y579-W656 AromaticContact CD1-CE2 3.97Å; Y579-W656 AromaticContact CD1-CE3 3.53Å; Y579-W656 HydrophobicContact CD1-CE3 3.53Å; Y579-W656 AromaticContact CD1-CG 3.56Å; Y579-W656 HydrophobicContact CD1-CG 3.56Å; Y579-W656 HydrophobicContact CD1-CZ3 4.21Å; Y579-W656 HydrophobicContact CD2-CB 3.79Å; Y579-W656 AromaticContact CD2-CD1 3.28Å; Y579-W656 HydrophobicContact CD2-CD2 4.03Å; Y579-W656 AromaticContact CD2-CG 3.45Å; Y579-W656 HydrophobicContact CD2-CG 3.45Å; Y579-W656 VanDerWaalsContact CD2-CG 3.45Å; Y579-W656 AromaticContact CD2-NE1 3.78Å; Y579-W656 HydrophobicContact CE1-CB 3.45Å; Y579-W656 VanDerWaalsContact CE1-CB 3.45Å; Y579-W656 AromaticContact CE1-CD2 3.98Å; Y579-W656 HydrophobicContact CE1-CD2 3.98Å; Y579-W656 HydrophobicContact CE1-CE3 4.04Å; Y579-W656 AromaticContact CE1-CG 3.77Å; Y579-W656 HydrophobicContact CE1-CG 3.77Å; Y579-W656 HydrophobicContact CE2-CB 3.44Å; Y579-W656 VanDerWaalsContact CE2-CB 3.44Å; Y579-W656 AromaticContact CE2-CD1 3.81Å; Y579-W656 AromaticContact CE2-CG 3.69Å; Y579-W656 HydrophobicContact CE2-CG 3.69Å; Y579-W656 HydrophobicContact CG-CB 3.96Å; Y579-W656 AromaticContact CG-CD1 3.47Å; Y579-W656 VanDerWaalsContact CG-CD1 3.47Å; Y579-W656 AromaticContact CG-CD2 3.43Å; Y579-W656 HydrophobicContact CG-CD2 3.43Å; Y579-W656 VanDerWaalsContact CG-CD2 3.43Å; Y579-W656 AromaticContact CG-CE2 3.58Å; Y579-W656 HydrophobicContact CG-CE3 4.04Å; Y579-W656 AromaticContact CG-CG 3.39Å; Y579-W656 HydrophobicContact CG-CG 3.39Å; Y579-W656 HydrophobicContact CG-CZ2 4.3Å; Y579-W656 AromaticContact CG-NE1 3.59Å; Y579-W656 AromaticContact CZ-CG 3.83Å; L637-W656 PolarHBondContact O-NE1 3.04Å; I639-W656 HydrophobicContact CB-CD2 3.77Å; I639-W656 HydrophobicContact CB-CE3 4.37Å; I639-W656 HydrophobicContact CB-CG 3.99Å; I639-W656 HydrophobicContact CB-CZ2 4.15Å; I639-W656 HydrophobicContact CD1-CD2 4.23Å; I639-W656 HydrophobicContact CD1-CE3 4.03Å; I639-W656 HydrophobicContact CD1-CH2 3.67Å; I639-W656 HydrophobicContact CD1-CZ2 3.89Å; I639-W656 HydrophobicContact CD1-CZ3 3.75Å; I639-W656 HydrophobicContact CG1-CD2 4.17Å; I639-W656 HydrophobicContact CG1-CE3 4.26Å; I639-W656 HydrophobicContact CG1-CZ3 4.48Å; I639-W656 HydrophobicContact CG2-CD2 4.39Å; I639-W656 HydrophobicContact CG2-CG 4.11Å; W656-D658 PolarHBondContact O-N 3.03Å; W656-V659 HydrophobicContact CE3-CG1 4Å; W656-V659 WeakPolarHBondContact O-CG1 3.21Å; W656-V659 WeakPolarHBondContact O-CG2 3.42Å; W656-V659 PolarHBondContact O-N 3.43Å; W656-V659 VanDerWaalsContact O-N 3.09Å; W656-F661 HydrophobicContact CZ3-CZ 4.32Å; W656-V663 HydrophobicContact CE3-CG2 4.38Å; W656-V663 HydrophobicContact CZ3-CG2 4.49Å |
| 657 | K | 87.1 | Confident | 92.3 | Very high | 127 Ų | 127 | 62.3 Ų | 62.3 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58.6 | -15.3 | 174.8 | 68.4 | 170.9 | -168 | 169 | 0 | 115 | K655 | K655-K657 VanDerWaalsContact C-N 3.25Å; K655-K657 HydrophobicContact CB-CG 3.97Å; K655-K657 PolarHBondContact O-N 3.23Å |
| 658 | D | 90.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -99.3 | -0.1 | -177 | -55.4 | -43.1 | 0 | 0 | 0 | 112.7 | K545 V653 K655 W656 | K545-D658 VanDerWaalsContact CE-O 3.29Å; K545-D658 WeakPolarHBondContact CE-O 3.41Å; K545-D658 PolarHBondContact NZ-O 2.9Å; V653-D658 HydrophobicContact CB-CB 4.36Å; V653-D658 HydrophobicContact CG1-CB 4.47Å; K655-D658 WeakPolarHBondContact O-CB 3.48Å; K655-D658 PolarHBondContact O-N 3.45Å; W656-D658 PolarHBondContact O-N 3.03Å |
| 659 | V | 93.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | trans | -65.3 | 149.3 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | I639 L644 V653 W656 F661 V663 | I639-V659 HydrophobicContact CD1-CG1 4.41Å; I639-V659 HydrophobicContact CG1-CG1 4.11Å; L644-V659 HydrophobicContact CD1-CB 4.49Å; L644-V659 HydrophobicContact CD1-CG1 4.07Å; V653-V659 HydrophobicContact CG2-CG1 3.93Å; W656-V659 HydrophobicContact CE3-CG1 4Å; W656-V659 WeakPolarHBondContact O-CG1 3.21Å; W656-V659 WeakPolarHBondContact O-CG2 3.42Å; W656-V659 PolarHBondContact O-N 3.43Å; W656-V659 VanDerWaalsContact O-N 3.09Å; V659-F661 VanDerWaalsContact C-N 3.25Å; V659-F661 HydrophobicContact CB-CD1 3.9Å; V659-F661 HydrophobicContact CB-CE1 3.74Å; V659-F661 HydrophobicContact CB-CZ 4.49Å; V659-F661 HydrophobicContact CG1-CE1 4.12Å; V659-F661 HydrophobicContact CG2-CD1 4.06Å; V659-F661 HydrophobicContact CG2-CE1 4.01Å; V659-F661 HydrophobicContact CG2-CG 4.47Å; V659-F661 HydrophobicContact CG2-CZ 4.38Å; V659-F661 WeakPolarHBondContact CG2-O 3.38Å; V659-F661 PolarHBondContact O-N 2.93Å; V659-V663 HydrophobicContact CG2-CG2 4.32Å | ||
| 660 | P | 94.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -90 | 23.6 | -176 | 39.2 | -39.1 | 0 | 0 | 0 | 113.6 | K545 H549 T646 I651 | K545-P660 CarbonylContact O-C 3.43Å; K545-P660 WeakPolarHBondContact O-CA 3.34Å; H549-P660 PolarHBondContact N-O 3.36Å; T646-P660 HydrophobicContact CG2-CG 4.15Å; I651-P660 HydrophobicContact CD1-CG 4.01Å |
| 661 | F | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -142.5 | 159.3 | 179.1 | 67.8 | -84.2 | 0 | 0 | 0 | 110 | K546 H549 A551 I554 G568 W656 V659 V663 | K546-F661 CarbonylContact O-C 3.5Å; K546-F661 WeakPolarHBondContact O-CA 3.49Å; H549-F661 WeakPolarHBondContact O-CB 3.45Å; A551-F661 HydrophobicContact CB-CD2 3.6Å; A551-F661 HydrophobicContact CB-CE2 4.18Å; A551-F661 HydrophobicContact CB-CG 4.37Å; I554-F661 HydrophobicContact CB-CD1 4.32Å; I554-F661 HydrophobicContact CB-CE1 4.47Å; I554-F661 HydrophobicContact CG1-CB 4.27Å; I554-F661 HydrophobicContact CG1-CD1 3.82Å; I554-F661 HydrophobicContact CG1-CE1 4.44Å; I554-F661 HydrophobicContact CG1-CG 4.2Å; I554-F661 HydrophobicContact CG2-CD1 4.26Å; I554-F661 HydrophobicContact CG2-CE1 4.08Å; G568-F661 WeakPolarHBondContact O-CE2 3.43Å; W656-F661 HydrophobicContact CZ3-CZ 4.32Å; V659-F661 VanDerWaalsContact C-N 3.25Å; V659-F661 HydrophobicContact CB-CD1 3.9Å; V659-F661 HydrophobicContact CB-CE1 3.74Å; V659-F661 HydrophobicContact CB-CZ 4.49Å; V659-F661 HydrophobicContact CG1-CE1 4.12Å; V659-F661 HydrophobicContact CG2-CD1 4.06Å; V659-F661 HydrophobicContact CG2-CE1 4.01Å; V659-F661 HydrophobicContact CG2-CG 4.47Å; V659-F661 HydrophobicContact CG2-CZ 4.38Å; V659-F661 WeakPolarHBondContact CG2-O 3.38Å; V659-F661 PolarHBondContact O-N 2.93Å; F661-V663 HydrophobicContact CD2-CG2 4.27Å; F661-V663 HydrophobicContact CE2-CG2 3.73Å; F661-V663 HydrophobicContact CZ-CG2 4.28Å |
| 662 | M | 92.4 | Very high | 90.2 | Very high | 121 Ų | 121 | 62 Ų | 62 | 60% | 0.596 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -83 | 129 | 175.8 | -168.5 | 170.9 | -141.5 | 0 | 0 | 109.6 | K546 | K546-M662 PolarHBondContact O-N 3.34Š|
| 663 | V | 92.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 119.9 | 170.5 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | F571 L573 Y579 W656 V659 F661 | F571-V663 HydrophobicContact CB-CG1 4.39Å; F571-V663 WeakPolarHBondContact O-CG1 3.45Å; L573-V663 HydrophobicContact CB-CG1 4.18Å; Y579-V663 HydrophobicContact CD1-CB 4.43Å; Y579-V663 HydrophobicContact CD1-CG1 4Å; Y579-V663 HydrophobicContact CD1-CG2 4.24Å; Y579-V663 HydrophobicContact CE1-CB 4.21Å; Y579-V663 HydrophobicContact CE1-CG1 4.2Å; Y579-V663 HydrophobicContact CE1-CG2 4.11Å; W656-V663 HydrophobicContact CE3-CG2 4.38Å; W656-V663 HydrophobicContact CZ3-CG2 4.49Å; V659-V663 HydrophobicContact CG2-CG2 4.32Å; F661-V663 HydrophobicContact CD2-CG2 4.27Å; F661-V663 HydrophobicContact CE2-CG2 3.73Å; F661-V663 HydrophobicContact CZ-CG2 4.28Å |
| 664 | E | 92.3 | Very high | 89.2 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 153.4 | 179.8 | -67.7 | 173.8 | -169.6 | 0 | 0 | 111.6 | K572 L573 | K572-E664 CarbonylContact C-O 3.55Å; K572-E664 VanDerWaalsContact CA-O 3.3Å; K572-E664 WeakPolarHBondContact CA-O 3.35Å; K572-E664 HydrophobicContact CD-CB 3.95Å; K572-E664 IonicContact NZ-OE2 3.84Å; K572-E664 PolarHBondContact NZ-OE2 3.07Å; L573-E664 PolarHBondContact N-O 2.63Å |
| 665 | E | 91.9 | Very high | 88.6 | Confident | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.603 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144.2 | 174.9 | -68.8 | -173.9 | 177.8 | 0 | 0 | 111 | ||
| 666 | F | 90.9 | Very high | 88 | Confident | 23 Ų | 23 | 62 Ų | 62 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 127.6 | 172.2 | 177 | -90.8 | 0 | 0 | 0 | 109.7 | K572 L573 L574 V580 V582 Y628 L634 F668 Y671 | K572-F666 HydrophobicContact CB-CB 3.81Å; K572-F666 HydrophobicContact CB-CD2 4.24Å; L573-F666 PolarHBondContact O-N 3.22Å; L574-F666 HydrophobicContact CB-CB 4.19Å; L574-F666 HydrophobicContact CD1-CB 4.25Å; L574-F666 HydrophobicContact CD1-CD1 3.43Å; L574-F666 VanDerWaalsContact CD1-CD1 3.43Å; L574-F666 HydrophobicContact CD1-CE1 4.05Å; L574-F666 HydrophobicContact CD1-CG 4.06Å; V580-F666 HydrophobicContact CG2-CD2 4.33Å; V582-F666 HydrophobicContact CG1-CD2 3.88Å; V582-F666 HydrophobicContact CG1-CE2 4Å; Y628-F666 HydrophobicContact CD1-CE1 4.05Å; Y628-F666 AromaticContact CE1-CE1 3.97Å; Y628-F666 HydrophobicContact CE1-CE1 3.97Å; L634-F666 HydrophobicContact CD1-CD2 4.4Å; L634-F666 HydrophobicContact CD1-CE1 4.45Å; L634-F666 HydrophobicContact CD1-CE2 3.76Å; L634-F666 HydrophobicContact CD1-CZ 3.79Å; F666-F668 HydrophobicContact CE1-CB 4.17Å; F666-F668 HydrophobicContact CE1-CD2 4.33Å; F666-F668 HydrophobicContact CZ-CD2 4.39Å; F666-Y671 AromaticContact CE2-CD2 3.89Å; F666-Y671 HydrophobicContact CE2-CD2 3.89Å; F666-Y671 AromaticContact CE2-CG 3.96Å; F666-Y671 HydrophobicContact CE2-CG 3.96Å; F666-Y671 HydrophobicContact CZ-CD2 4.3Å; F666-Y671 AromaticContact CZ-CG 3.95Å; F666-Y671 HydrophobicContact CZ-CG 3.95Å |
| 667 | T | 88.1 | Confident | 87 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | trans | -117.7 | 128.7 | 170.8 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | E669 Q670 Y671 | T667-E669 VanDerWaalsContact C-N 3.31Å; T667-E669 PolarHBondContact O-N 3.06Å; T667-Q670 PolarHBondContact O-N 3.03Å; T667-Q670 WeakPolarHBondContact OG1-CB 3.47Å; T667-Q670 PolarHBondContact OG1-OE1 2.81Å; T667-Y671 PolarHBondContact O-N 3.2Å; T667-Y671 VanDerWaalsContact O-N 3.1Å | ||
| 668 | F | 85.6 | Confident | 86.3 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.4 | -34.6 | -176.3 | -174.7 | -109.1 | 0 | 0 | 0 | 111.3 | Y628 R629 V631 F666 Y671 C672 | Y628-F668 AromaticContact CD1-CD2 3.75Å; Y628-F668 HydrophobicContact CD1-CD2 3.75Å; Y628-F668 HydrophobicContact CD1-CE2 4.15Å; Y628-F668 HydrophobicContact CE1-CB 4.21Å; Y628-F668 AromaticContact CE1-CD2 3.74Å; Y628-F668 HydrophobicContact CE1-CD2 3.74Å; Y628-F668 HydrophobicContact CE1-CE2 4.45Å; Y628-F668 HydrophobicContact CE1-CG 4.17Å; R629-F668 HydrophobicContact CB-CE2 4.16Å; R629-F668 HydrophobicContact CB-CZ 4.13Å; V631-F668 HydrophobicContact CB-CZ 4.45Å; F666-F668 HydrophobicContact CE1-CB 4.17Å; F666-F668 HydrophobicContact CE1-CD2 4.33Å; F666-F668 HydrophobicContact CZ-CD2 4.39Å; F668-Y671 PolarHBondContact O-N 2.99Å; F668-C672 VanDerWaalsContact CE1-SG 3.53Å; F668-C672 VanDerWaalsContact CZ-SG 3.51Å; F668-C672 WeakPolarHBondContact O-CB 3.35Å; F668-C672 PolarHBondContact O-N 3.42Å; F668-C672 PolarHBondContact O-SG 2.94Å; F668-C672 VanDerWaalsContact O-SG 3.39Å |
| 669 | E | 84.4 | Confident | 84.9 | Confident | 119 Ų | 119 | 68 Ų | 68 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 177.2 | -60.9 | 72.8 | -157.2 | 0 | 0 | 111 | T667 C672 S673 | T667-E669 VanDerWaalsContact C-N 3.31Å; T667-E669 PolarHBondContact O-N 3.06Å; E669-C672 PolarHBondContact O-N 3.27Å; E669-S673 WeakPolarHBondContact O-CB 3.24Å; E669-S673 PolarHBondContact O-N 2.91Å |
| 670 | Q | 84.6 | Confident | 83.2 | Confident | 101 Ų | 101 | 73.7 Ų | 73.7 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.7 | -170.7 | 169.5 | 1.5 | 0 | 0 | 111.2 | T667 C672 S673 D674 | T667-Q670 PolarHBondContact O-N 3.03Å; T667-Q670 WeakPolarHBondContact OG1-CB 3.47Å; T667-Q670 PolarHBondContact OG1-OE1 2.81Å; Q670-C672 VanDerWaalsContact C-N 3.32Å; Q670-C672 PolarHBondContact O-N 3.03Å; Q670-S673 PolarHBondContact O-N 2.64Å; Q670-D674 WeakPolarHBondContact O-CB 3.33Å; Q670-D674 PolarHBondContact O-N 2.97Å |
| 671 | Y | 85.8 | Confident | 81.1 | Confident | 31 Ų | 31 | 83.1 Ų | 83.1 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 174.3 | 179.4 | -93.2 | 0 | 0 | 0 | 111.8 | A632 L634 F666 T667 F668 D674 F675 F676 | A632-Y671 HydrophobicContact CB-CD1 4.08Å; A632-Y671 HydrophobicContact CB-CE1 3.41Å; A632-Y671 VanDerWaalsContact CB-CE1 3.41Å; L634-Y671 HydrophobicContact CD2-CE2 3.91Å; F666-Y671 AromaticContact CE2-CD2 3.89Å; F666-Y671 HydrophobicContact CE2-CD2 3.89Å; F666-Y671 AromaticContact CE2-CG 3.96Å; F666-Y671 HydrophobicContact CE2-CG 3.96Å; F666-Y671 HydrophobicContact CZ-CD2 4.3Å; F666-Y671 AromaticContact CZ-CG 3.95Å; F666-Y671 HydrophobicContact CZ-CG 3.95Å; T667-Y671 PolarHBondContact O-N 3.2Å; T667-Y671 VanDerWaalsContact O-N 3.1Å; F668-Y671 PolarHBondContact O-N 2.99Å; Y671-D674 PolarHBondContact O-N 2.95Å; Y671-F675 AromaticContact CD2-CD2 3.51Å; Y671-F675 HydrophobicContact CD2-CD2 3.51Å; Y671-F675 AromaticContact CD2-CE2 3.65Å; Y671-F675 HydrophobicContact CD2-CE2 3.65Å; Y671-F675 HydrophobicContact CE1-CD2 4.45Å; Y671-F675 AromaticContact CE2-CD2 3.45Å; Y671-F675 HydrophobicContact CE2-CD2 3.45Å; Y671-F675 VanDerWaalsContact CE2-CD2 3.45Å; Y671-F675 AromaticContact CE2-CE2 3.62Å; Y671-F675 HydrophobicContact CE2-CE2 3.62Å; Y671-F675 HydrophobicContact CE2-CG 4.38Å; Y671-F675 HydrophobicContact CG-CD2 4.07Å; Y671-F675 AromaticContact CZ-CD2 3.95Å; Y671-F675 VanDerWaalsContact O-CD2 3.25Å; Y671-F675 WeakPolarHBondContact O-CD2 3.45Å; Y671-F675 PolarHBondContact O-N 2.98Å; Y671-F675 VanDerWaalsContact O-N 3.1Å; Y671-F676 HydrophobicContact CE1-CE2 4.14Å |
| 672 | C | 84.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 87.2 Ų | 87.2 | 7% | 0.068 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.6 | -72 | 0 | 0 | 0 | 0 | 111.9 | F668 E669 Q670 D674 F676 F680 | F668-C672 VanDerWaalsContact CE1-SG 3.53Å; F668-C672 VanDerWaalsContact CZ-SG 3.51Å; F668-C672 WeakPolarHBondContact O-CB 3.35Å; F668-C672 PolarHBondContact O-N 3.42Å; F668-C672 PolarHBondContact O-SG 2.94Å; F668-C672 VanDerWaalsContact O-SG 3.39Å; E669-C672 PolarHBondContact O-N 3.27Å; Q670-C672 VanDerWaalsContact C-N 3.32Å; Q670-C672 PolarHBondContact O-N 3.03Å; C672-D674 VanDerWaalsContact C-N 3.32Å; C672-D674 PolarHBondContact O-N 3.3Å; C672-F676 CarbonylContact O-C 3.43Å; C672-F676 VanDerWaalsContact O-CA 3.24Å; C672-F676 WeakPolarHBondContact O-CA 3.38Å; C672-F676 WeakPolarHBondContact O-CB 3.29Å; C672-F676 PolarHBondContact O-N 3.05Å; C672-F680 HydrophobicContact CB-CE2 3.58Å; C672-F680 HydrophobicContact CB-CZ 3.77Å |
| 673 | S | 82.5 | Confident | 79.9 | Confident | 64 Ų | 64 | 85.4 Ų | 85.4 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 177 | -174 | 0 | 0 | 0 | 0 | 112.3 | E669 Q670 | E669-S673 WeakPolarHBondContact O-CB 3.24Å; E669-S673 PolarHBondContact O-N 2.91Å; Q670-S673 PolarHBondContact O-N 2.64Å |
| 674 | D | 82.4 | Confident | 79.1 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.4 | -33.5 | -176.7 | -69.2 | -17.6 | 0 | 0 | 0 | 112.2 | Q670 Y671 C672 | Q670-D674 WeakPolarHBondContact O-CB 3.33Å; Q670-D674 PolarHBondContact O-N 2.97Å; Y671-D674 PolarHBondContact O-N 2.95Å; C672-D674 VanDerWaalsContact C-N 3.32Å; C672-D674 PolarHBondContact O-N 3.3Å |
| 675 | F | 78.9 | Confident | 78.4 | Confident | 75 Ų | 75 | 87.4 Ų | 87.4 | 33% | 0.329 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -113.5 | -16.4 | -171.5 | -65.5 | -69.2 | 0 | 0 | 0 | 115.3 | V582 P584 Y671 | V582-F675 WeakPolarHBondContact O-CZ 3.23Å; P584-F675 HydrophobicContact CB-CE1 4.06Å; P584-F675 HydrophobicContact CG-CE1 3.71Å; P584-F675 HydrophobicContact CG-CZ 4.41Å; Y671-F675 AromaticContact CD2-CD2 3.51Å; Y671-F675 HydrophobicContact CD2-CD2 3.51Å; Y671-F675 AromaticContact CD2-CE2 3.65Å; Y671-F675 HydrophobicContact CD2-CE2 3.65Å; Y671-F675 HydrophobicContact CE1-CD2 4.45Å; Y671-F675 AromaticContact CE2-CD2 3.45Å; Y671-F675 HydrophobicContact CE2-CD2 3.45Å; Y671-F675 VanDerWaalsContact CE2-CD2 3.45Å; Y671-F675 AromaticContact CE2-CE2 3.62Å; Y671-F675 HydrophobicContact CE2-CE2 3.62Å; Y671-F675 HydrophobicContact CE2-CG 4.38Å; Y671-F675 HydrophobicContact CG-CD2 4.07Å; Y671-F675 AromaticContact CZ-CD2 3.95Å; Y671-F675 VanDerWaalsContact O-CD2 3.25Å; Y671-F675 WeakPolarHBondContact O-CD2 3.45Å; Y671-F675 PolarHBondContact O-N 2.98Å; Y671-F675 VanDerWaalsContact O-N 3.1Å |
| 676 | F | 78.9 | Confident | 77.5 | Confident | 81 Ų | 81 | 84.8 Ų | 84.8 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | trans | -137.2 | 58.8 | 178.1 | -54.7 | -83 | 0 | 0 | 0 | 110.3 | V631 Y671 C672 D678 L679 | V631-F676 HydrophobicContact CG1-CE2 4.19Å; V631-F676 HydrophobicContact CG1-CZ 4.32Å; Y671-F676 HydrophobicContact CE1-CE2 4.14Å; C672-F676 CarbonylContact O-C 3.43Å; C672-F676 VanDerWaalsContact O-CA 3.24Å; C672-F676 WeakPolarHBondContact O-CA 3.38Å; C672-F676 WeakPolarHBondContact O-CB 3.29Å; C672-F676 PolarHBondContact O-N 3.05Å; F676-D678 PolarHBondContact O-N 3.34Å; F676-L679 HydrophobicContact CB-CD1 3.48Å; F676-L679 VanDerWaalsContact CB-CD1 3.48Å; F676-L679 HydrophobicContact CB-CG 4Å; F676-L679 HydrophobicContact CG-CD1 4.04Å; F676-L679 WeakPolarHBondContact O-CB 3.14Å; F676-L679 PolarHBondContact O-N 2.76Å; F676-L679 VanDerWaalsContact O-N 3.08Å | ||
| 677 | P | 70.8 | Confident | 76.6 | Confident | 67 Ų | 67 | 88.9 Ų | 88.9 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -57.6 | -34.3 | -174.9 | 23.9 | -34 | 0 | 0 | 0 | 112.3 | L679 F680 | P677-L679 PolarHBondContact O-N 2.93Å; P677-F680 PolarHBondContact O-N 3.06Å |
| 678 | D | 73.4 | Confident | 75.8 | Confident | 139 Ų | 139 | 91.2 Ų | 91.2 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -65.4 | -7.5 | 179.9 | -50.7 | -27.3 | 0 | 0 | 0 | 114.5 | F676 | F676-D678 PolarHBondContact O-N 3.34Š|
| 679 | L | 60.9 | Low | 75.1 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 65% | 0.654 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -83.8 | -13.9 | 175.7 | -73.9 | 172.8 | 0 | 0 | 0 | 113.6 | F676 P677 | F676-L679 HydrophobicContact CB-CD1 3.48Å; F676-L679 VanDerWaalsContact CB-CD1 3.48Å; F676-L679 HydrophobicContact CB-CG 4Å; F676-L679 HydrophobicContact CG-CD1 4.04Å; F676-L679 WeakPolarHBondContact O-CB 3.14Å; F676-L679 PolarHBondContact O-N 2.76Å; F676-L679 VanDerWaalsContact O-N 3.08Å; P677-L679 PolarHBondContact O-N 2.93Å |
| 680 | F | 57.5 | Low | 74.3 | Confident | 124 Ų | 124 | 93.5 Ų | 93.5 | 54% | 0.544 | 48% | 0.483 | S | S | . | . | trans | -110.3 | 2.6 | -175.5 | -66 | -83.1 | 0 | 0 | 0 | 114 | C672 P677 | C672-F680 HydrophobicContact CB-CE2 3.58Å; C672-F680 HydrophobicContact CB-CZ 3.77Å; P677-F680 PolarHBondContact O-N 3.06Å | ||
| 681 | D | 51.3 | Low | 73.3 | Confident | 203 Ų | 203 | 92.8 Ų | 92.8 | 100% | 1.086 | 48% | 0.484 | S | S | * | . | trans | -93.3 | 0 | 175.4 | -79.3 | -23.7 | 0 | 0 | 0 | 113.3 |
Retrieved 681 of 681 residues in 1113.6 ms
(Link to these results)